USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=24 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 17 GLN : amide:sc= 0.446 X(o=0.45,f=-0.051) USER MOD Single : A 24 THR OG1 : rot 108:sc= 1.35 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 146:sc= -0.28 (180deg=-1.4!) USER MOD Single : A 32 MET CE :methyl -168:sc= -0.0488 (180deg=-0.304) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -173:sc= -6.35! (180deg=-6.54!) USER MOD Single : A 46 CYS SG : rot 24:sc= 1.01 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 50 ASN :FLIP amide:sc=-0.00579 F(o=-1.2,f=-0.0058) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -2.56 K(o=-2.6,f=-6!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -79:sc= 0.18 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 179:sc= -4.81! (180deg=-4.85!) USER MOD Single : A 79 ASN : amide:sc= -0.64 X(o=-0.64,f=-0.24) USER MOD Single : A 81 ASN : amide:sc= -6.62! C(o=-6.6!,f=-8.8!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.293 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -0.79 F(o=-1.5!,f=-0.79) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.0896 X(o=-0.09,f=-0.25) USER MOD Single : A 131 HIS : no HE2:sc= -1.66! X(o=-1.7!,f=-1.6) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N PRO A 7 2.047 5.613 18.069 1.00 0.00 N ATOM 96 CA PRO A 7 3.469 5.802 17.764 1.00 0.00 C ATOM 97 C PRO A 7 3.740 6.013 16.282 1.00 0.00 C ATOM 98 O PRO A 7 4.026 7.126 15.841 1.00 0.00 O ATOM 99 CB PRO A 7 4.109 4.504 18.258 1.00 0.00 C ATOM 100 CG PRO A 7 3.227 4.055 19.370 1.00 0.00 C ATOM 101 CD PRO A 7 1.832 4.484 19.000 1.00 0.00 C ATOM 0 HA PRO A 7 3.868 6.699 18.238 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.158 3.758 17.464 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.129 4.670 18.603 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.281 2.974 19.497 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.534 4.503 20.315 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.277 3.675 18.526 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.262 4.791 19.877 1.00 0.00 H new ATOM 109 N VAL A 8 3.645 4.938 15.521 1.00 0.00 N ATOM 110 CA VAL A 8 3.884 4.989 14.083 1.00 0.00 C ATOM 111 C VAL A 8 2.814 5.811 13.372 1.00 0.00 C ATOM 112 O VAL A 8 1.625 5.500 13.450 1.00 0.00 O ATOM 113 CB VAL A 8 3.910 3.578 13.466 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.472 3.622 12.052 1.00 0.00 C ATOM 115 CG2 VAL A 8 4.711 2.622 14.338 1.00 0.00 C ATOM 0 H VAL A 8 3.403 4.012 15.874 1.00 0.00 H new ATOM 0 HA VAL A 8 4.857 5.461 13.946 1.00 0.00 H new ATOM 0 HB VAL A 8 2.886 3.209 13.414 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.482 2.616 11.633 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.848 4.267 11.433 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.488 4.015 12.076 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.716 1.632 13.883 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.735 2.984 14.430 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.257 2.564 15.327 1.00 0.00 H new ATOM 125 N THR A 9 3.246 6.858 12.682 1.00 0.00 N ATOM 126 CA THR A 9 2.332 7.724 11.949 1.00 0.00 C ATOM 127 C THR A 9 2.912 8.098 10.592 1.00 0.00 C ATOM 128 O THR A 9 4.105 8.382 10.475 1.00 0.00 O ATOM 129 CB THR A 9 2.018 9.013 12.728 1.00 0.00 C ATOM 130 OG1 THR A 9 3.228 9.733 12.994 1.00 0.00 O ATOM 131 CG2 THR A 9 1.311 8.698 14.038 1.00 0.00 C ATOM 0 H THR A 9 4.227 7.129 12.614 1.00 0.00 H new ATOM 0 HA THR A 9 1.408 7.162 11.813 1.00 0.00 H new ATOM 0 HB THR A 9 1.357 9.627 12.116 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.019 10.553 13.489 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.100 9.626 14.570 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.376 8.178 13.831 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.950 8.064 14.653 1.00 0.00 H new ATOM 139 N ALA A 10 2.065 8.098 9.571 1.00 0.00 N ATOM 140 CA ALA A 10 2.502 8.436 8.226 1.00 0.00 C ATOM 141 C ALA A 10 2.504 9.945 8.015 1.00 0.00 C ATOM 142 O ALA A 10 2.003 10.701 8.847 1.00 0.00 O ATOM 143 CB ALA A 10 1.614 7.757 7.195 1.00 0.00 C ATOM 0 H ALA A 10 1.074 7.868 9.650 1.00 0.00 H new ATOM 0 HA ALA A 10 3.523 8.076 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.953 8.020 6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.667 6.676 7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.584 8.088 7.327 1.00 0.00 H new ATOM 149 N SER A 11 3.070 10.374 6.894 1.00 0.00 N ATOM 150 CA SER A 11 3.140 11.794 6.566 1.00 0.00 C ATOM 151 C SER A 11 3.291 11.987 5.064 1.00 0.00 C ATOM 152 O SER A 11 3.727 11.082 4.358 1.00 0.00 O ATOM 153 CB SER A 11 4.310 12.455 7.299 1.00 0.00 C ATOM 154 OG SER A 11 4.384 13.838 7.001 1.00 0.00 O ATOM 0 H SER A 11 3.488 9.759 6.196 1.00 0.00 H new ATOM 0 HA SER A 11 2.212 12.266 6.888 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.194 12.317 8.374 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.243 11.968 7.014 1.00 0.00 H new ATOM 0 HG SER A 11 5.138 14.237 7.483 1.00 0.00 H new ATOM 160 N LEU A 12 2.928 13.166 4.573 1.00 0.00 N ATOM 161 CA LEU A 12 3.032 13.449 3.151 1.00 0.00 C ATOM 162 C LEU A 12 4.390 14.047 2.809 1.00 0.00 C ATOM 163 O LEU A 12 4.793 15.069 3.364 1.00 0.00 O ATOM 164 CB LEU A 12 1.913 14.387 2.713 1.00 0.00 C ATOM 165 CG LEU A 12 0.920 13.776 1.724 1.00 0.00 C ATOM 166 CD1 LEU A 12 -0.127 14.800 1.320 1.00 0.00 C ATOM 167 CD2 LEU A 12 1.642 13.236 0.499 1.00 0.00 C ATOM 0 H LEU A 12 2.562 13.934 5.135 1.00 0.00 H new ATOM 0 HA LEU A 12 2.932 12.507 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.368 14.718 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.357 15.274 2.261 1.00 0.00 H new ATOM 0 HG LEU A 12 0.416 12.944 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.825 14.348 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.669 15.135 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.361 15.653 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.916 12.806 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.176 14.047 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.352 12.467 0.804 1.00 0.00 H new ATOM 179 N VAL A 13 5.090 13.393 1.889 1.00 0.00 N ATOM 180 CA VAL A 13 6.410 13.843 1.464 1.00 0.00 C ATOM 181 C VAL A 13 6.306 14.912 0.380 1.00 0.00 C ATOM 182 O VAL A 13 5.332 14.952 -0.372 1.00 0.00 O ATOM 183 CB VAL A 13 7.259 12.668 0.940 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.663 13.132 0.581 1.00 0.00 C ATOM 185 CG2 VAL A 13 7.310 11.548 1.969 1.00 0.00 C ATOM 0 H VAL A 13 4.764 12.547 1.422 1.00 0.00 H new ATOM 0 HA VAL A 13 6.898 14.271 2.340 1.00 0.00 H new ATOM 0 HB VAL A 13 6.789 12.284 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.243 12.285 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.607 13.897 -0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.146 13.547 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.913 10.726 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.754 11.922 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.299 11.193 2.170 1.00 0.00 H new ATOM 195 N ALA A 14 7.314 15.776 0.309 1.00 0.00 N ATOM 196 CA ALA A 14 7.339 16.844 -0.683 1.00 0.00 C ATOM 197 C ALA A 14 7.213 16.280 -2.093 1.00 0.00 C ATOM 198 O ALA A 14 7.584 15.136 -2.350 1.00 0.00 O ATOM 199 CB ALA A 14 8.616 17.660 -0.549 1.00 0.00 C ATOM 0 H ALA A 14 8.125 15.757 0.928 1.00 0.00 H new ATOM 0 HA ALA A 14 6.486 17.498 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.621 18.454 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.664 18.099 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.479 17.012 -0.702 1.00 0.00 H new ATOM 205 N GLU A 15 6.687 17.092 -3.003 1.00 0.00 N ATOM 206 CA GLU A 15 6.505 16.673 -4.388 1.00 0.00 C ATOM 207 C GLU A 15 7.843 16.555 -5.111 1.00 0.00 C ATOM 208 O GLU A 15 8.001 15.729 -6.010 1.00 0.00 O ATOM 209 CB GLU A 15 5.601 17.664 -5.125 1.00 0.00 C ATOM 210 CG GLU A 15 6.122 19.092 -5.102 1.00 0.00 C ATOM 211 CD GLU A 15 5.239 20.048 -5.881 1.00 0.00 C ATOM 212 OE1 GLU A 15 4.277 20.581 -5.291 1.00 0.00 O ATOM 213 OE2 GLU A 15 5.510 20.262 -7.081 1.00 0.00 O ATOM 0 H GLU A 15 6.379 18.044 -2.807 1.00 0.00 H new ATOM 0 HA GLU A 15 6.034 15.690 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.491 17.342 -6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.608 17.641 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.195 19.431 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.130 19.114 -5.517 1.00 0.00 H new ATOM 220 N ALA A 16 8.804 17.385 -4.717 1.00 0.00 N ATOM 221 CA ALA A 16 10.122 17.378 -5.340 1.00 0.00 C ATOM 222 C ALA A 16 11.069 16.386 -4.667 1.00 0.00 C ATOM 223 O ALA A 16 12.215 16.237 -5.089 1.00 0.00 O ATOM 224 CB ALA A 16 10.721 18.776 -5.311 1.00 0.00 C ATOM 0 H ALA A 16 8.694 18.070 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 16 9.994 17.058 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.705 18.760 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.072 19.461 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.816 19.110 -4.278 1.00 0.00 H new ATOM 230 N GLN A 17 10.594 15.716 -3.620 1.00 0.00 N ATOM 231 CA GLN A 17 11.416 14.744 -2.904 1.00 0.00 C ATOM 232 C GLN A 17 10.776 13.359 -2.915 1.00 0.00 C ATOM 233 O GLN A 17 11.432 12.360 -2.618 1.00 0.00 O ATOM 234 CB GLN A 17 11.632 15.199 -1.458 1.00 0.00 C ATOM 235 CG GLN A 17 12.441 16.478 -1.339 1.00 0.00 C ATOM 236 CD GLN A 17 13.888 16.290 -1.748 1.00 0.00 C ATOM 237 OE1 GLN A 17 14.751 16.019 -0.913 1.00 0.00 O ATOM 238 NE2 GLN A 17 14.157 16.419 -3.041 1.00 0.00 N ATOM 0 H GLN A 17 9.650 15.827 -3.250 1.00 0.00 H new ATOM 0 HA GLN A 17 12.377 14.681 -3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.662 15.347 -0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.138 14.406 -0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.988 17.250 -1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.401 16.835 -0.310 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.410 16.645 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.111 16.293 -3.378 1.00 0.00 H new ATOM 247 N ARG A 18 9.495 13.305 -3.261 1.00 0.00 N ATOM 248 CA ARG A 18 8.768 12.042 -3.301 1.00 0.00 C ATOM 249 C ARG A 18 9.243 11.158 -4.450 1.00 0.00 C ATOM 250 O ARG A 18 9.125 9.934 -4.389 1.00 0.00 O ATOM 251 CB ARG A 18 7.264 12.303 -3.428 1.00 0.00 C ATOM 252 CG ARG A 18 6.871 13.004 -4.718 1.00 0.00 C ATOM 253 CD ARG A 18 5.382 13.304 -4.762 1.00 0.00 C ATOM 254 NE ARG A 18 4.576 12.087 -4.763 1.00 0.00 N ATOM 255 CZ ARG A 18 3.286 12.057 -5.087 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.659 13.174 -5.433 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.622 10.909 -5.067 1.00 0.00 N ATOM 0 H ARG A 18 8.939 14.121 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 18 8.966 11.514 -2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.733 11.353 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.937 12.908 -2.582 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.433 13.933 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.142 12.379 -5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.111 13.917 -3.903 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.157 13.888 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 18 5.027 11.211 -4.501 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.166 14.059 -5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.670 13.148 -5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.100 10.048 -4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.633 10.887 -5.316 1.00 0.00 H new ATOM 271 N LEU A 19 9.791 11.776 -5.493 1.00 0.00 N ATOM 272 CA LEU A 19 10.268 11.026 -6.653 1.00 0.00 C ATOM 273 C LEU A 19 11.534 10.241 -6.325 1.00 0.00 C ATOM 274 O LEU A 19 11.862 9.268 -7.004 1.00 0.00 O ATOM 275 CB LEU A 19 10.530 11.962 -7.835 1.00 0.00 C ATOM 276 CG LEU A 19 11.822 12.779 -7.753 1.00 0.00 C ATOM 277 CD1 LEU A 19 12.102 13.466 -9.081 1.00 0.00 C ATOM 278 CD2 LEU A 19 11.743 13.800 -6.630 1.00 0.00 C ATOM 0 H LEU A 19 9.916 12.786 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 19 9.486 10.318 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.553 11.368 -8.749 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.690 12.651 -7.924 1.00 0.00 H new ATOM 0 HG LEU A 19 12.645 12.098 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.024 14.042 -9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.207 12.715 -9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.276 14.133 -9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.672 14.369 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.909 14.478 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.591 13.286 -5.681 1.00 0.00 H new ATOM 290 N ASP A 20 12.242 10.666 -5.285 1.00 0.00 N ATOM 291 CA ASP A 20 13.470 9.997 -4.876 1.00 0.00 C ATOM 292 C ASP A 20 13.251 9.226 -3.582 1.00 0.00 C ATOM 293 O ASP A 20 14.087 8.423 -3.178 1.00 0.00 O ATOM 294 CB ASP A 20 14.594 11.014 -4.683 1.00 0.00 C ATOM 295 CG ASP A 20 15.960 10.359 -4.611 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.584 10.171 -5.676 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.405 10.035 -3.490 1.00 0.00 O ATOM 0 H ASP A 20 11.987 11.469 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 20 13.754 9.298 -5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.579 11.728 -5.506 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.416 11.579 -3.768 1.00 0.00 H new ATOM 302 N PHE A 21 12.112 9.473 -2.946 1.00 0.00 N ATOM 303 CA PHE A 21 11.778 8.810 -1.693 1.00 0.00 C ATOM 304 C PHE A 21 11.419 7.350 -1.936 1.00 0.00 C ATOM 305 O PHE A 21 11.826 6.466 -1.183 1.00 0.00 O ATOM 306 CB PHE A 21 10.615 9.523 -1.004 1.00 0.00 C ATOM 307 CG PHE A 21 10.439 9.124 0.432 1.00 0.00 C ATOM 308 CD1 PHE A 21 11.203 9.715 1.425 1.00 0.00 C ATOM 309 CD2 PHE A 21 9.513 8.157 0.788 1.00 0.00 C ATOM 310 CE1 PHE A 21 11.045 9.350 2.747 1.00 0.00 C ATOM 311 CE2 PHE A 21 9.353 7.787 2.109 1.00 0.00 C ATOM 312 CZ PHE A 21 10.120 8.385 3.090 1.00 0.00 C ATOM 0 H PHE A 21 11.404 10.128 -3.278 1.00 0.00 H new ATOM 0 HA PHE A 21 12.653 8.852 -1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.776 10.600 -1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.695 9.311 -1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.930 10.469 1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.910 7.688 0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.645 9.819 3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.629 7.031 2.375 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.996 8.098 4.124 1.00 0.00 H new ATOM 322 N LEU A 22 10.647 7.106 -2.991 1.00 0.00 N ATOM 323 CA LEU A 22 10.235 5.751 -3.337 1.00 0.00 C ATOM 324 C LEU A 22 11.455 4.851 -3.548 1.00 0.00 C ATOM 325 O LEU A 22 11.550 3.783 -2.947 1.00 0.00 O ATOM 326 CB LEU A 22 9.360 5.760 -4.595 1.00 0.00 C ATOM 327 CG LEU A 22 8.098 4.898 -4.518 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.450 3.455 -4.188 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.131 5.463 -3.488 1.00 0.00 C ATOM 0 H LEU A 22 10.295 7.828 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 22 9.651 5.352 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.066 6.788 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.961 5.421 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 22 7.612 4.914 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.538 2.860 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.103 3.054 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.961 3.416 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.239 4.838 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.610 5.478 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.850 6.478 -3.770 1.00 0.00 H new ATOM 341 N PRO A 23 12.410 5.270 -4.406 1.00 0.00 N ATOM 342 CA PRO A 23 13.622 4.488 -4.674 1.00 0.00 C ATOM 343 C PRO A 23 14.594 4.496 -3.497 1.00 0.00 C ATOM 344 O PRO A 23 15.499 3.665 -3.417 1.00 0.00 O ATOM 345 CB PRO A 23 14.243 5.200 -5.877 1.00 0.00 C ATOM 346 CG PRO A 23 13.763 6.605 -5.774 1.00 0.00 C ATOM 347 CD PRO A 23 12.382 6.525 -5.186 1.00 0.00 C ATOM 0 HA PRO A 23 13.395 3.436 -4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.331 5.150 -5.848 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.928 4.742 -6.814 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.423 7.198 -5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.744 7.084 -6.753 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.165 7.386 -4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.617 6.498 -5.962 1.00 0.00 H new ATOM 355 N THR A 24 14.402 5.444 -2.590 1.00 0.00 N ATOM 356 CA THR A 24 15.263 5.576 -1.419 1.00 0.00 C ATOM 357 C THR A 24 14.854 4.625 -0.293 1.00 0.00 C ATOM 358 O THR A 24 15.707 4.104 0.426 1.00 0.00 O ATOM 359 CB THR A 24 15.255 7.026 -0.894 1.00 0.00 C ATOM 360 OG1 THR A 24 16.090 7.849 -1.717 1.00 0.00 O ATOM 361 CG2 THR A 24 15.732 7.099 0.546 1.00 0.00 C ATOM 0 H THR A 24 13.655 6.136 -2.642 1.00 0.00 H new ATOM 0 HA THR A 24 16.270 5.310 -1.739 1.00 0.00 H new ATOM 0 HB THR A 24 14.227 7.388 -0.932 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.531 8.447 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.714 8.135 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.076 6.500 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.750 6.714 0.612 1.00 0.00 H new ATOM 369 N TYR A 25 13.554 4.396 -0.145 1.00 0.00 N ATOM 370 CA TYR A 25 13.054 3.520 0.911 1.00 0.00 C ATOM 371 C TYR A 25 12.685 2.139 0.377 1.00 0.00 C ATOM 372 O TYR A 25 12.642 1.166 1.130 1.00 0.00 O ATOM 373 CB TYR A 25 11.843 4.153 1.595 1.00 0.00 C ATOM 374 CG TYR A 25 12.208 5.080 2.734 1.00 0.00 C ATOM 375 CD1 TYR A 25 13.048 6.168 2.531 1.00 0.00 C ATOM 376 CD2 TYR A 25 11.713 4.864 4.014 1.00 0.00 C ATOM 377 CE1 TYR A 25 13.384 7.014 3.571 1.00 0.00 C ATOM 378 CE2 TYR A 25 12.043 5.706 5.058 1.00 0.00 C ATOM 379 CZ TYR A 25 12.879 6.779 4.833 1.00 0.00 C ATOM 380 OH TYR A 25 13.211 7.619 5.870 1.00 0.00 O ATOM 0 H TYR A 25 12.830 4.801 -0.738 1.00 0.00 H new ATOM 0 HA TYR A 25 13.857 3.393 1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.267 4.709 0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.196 3.362 1.974 1.00 0.00 H new ATOM 0 HD1 TYR A 25 13.445 6.356 1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.059 4.024 4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.039 7.855 3.396 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.648 5.525 6.047 1.00 0.00 H new ATOM 0 HH TYR A 25 12.771 7.315 6.691 1.00 0.00 H new ATOM 390 N PHE A 26 12.421 2.058 -0.920 1.00 0.00 N ATOM 391 CA PHE A 26 12.054 0.793 -1.543 1.00 0.00 C ATOM 392 C PHE A 26 13.185 0.283 -2.425 1.00 0.00 C ATOM 393 O PHE A 26 13.489 -0.910 -2.440 1.00 0.00 O ATOM 394 CB PHE A 26 10.783 0.966 -2.374 1.00 0.00 C ATOM 395 CG PHE A 26 9.866 -0.225 -2.334 1.00 0.00 C ATOM 396 CD1 PHE A 26 9.546 -0.833 -1.129 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.323 -0.736 -3.501 1.00 0.00 C ATOM 398 CE1 PHE A 26 8.703 -1.926 -1.091 1.00 0.00 C ATOM 399 CE2 PHE A 26 8.479 -1.829 -3.468 1.00 0.00 C ATOM 400 CZ PHE A 26 8.168 -2.426 -2.262 1.00 0.00 C ATOM 0 H PHE A 26 12.454 2.851 -1.560 1.00 0.00 H new ATOM 0 HA PHE A 26 11.869 0.062 -0.756 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.242 1.842 -2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.061 1.165 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.961 -0.447 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.562 -0.275 -4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 26 8.462 -2.390 -0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.062 -2.217 -4.386 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.509 -3.281 -2.235 1.00 0.00 H new ATOM 410 N GLY A 27 13.803 1.200 -3.156 1.00 0.00 N ATOM 411 CA GLY A 27 14.898 0.837 -4.036 1.00 0.00 C ATOM 412 C GLY A 27 14.808 1.533 -5.380 1.00 0.00 C ATOM 413 O GLY A 27 13.716 1.670 -5.933 1.00 0.00 O ATOM 0 H GLY A 27 13.566 2.192 -3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.845 1.092 -3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.898 -0.242 -4.187 1.00 0.00 H new ATOM 417 N PRO A 28 15.945 1.982 -5.935 1.00 0.00 N ATOM 418 CA PRO A 28 15.970 2.675 -7.226 1.00 0.00 C ATOM 419 C PRO A 28 15.430 1.813 -8.358 1.00 0.00 C ATOM 420 O PRO A 28 15.086 2.320 -9.426 1.00 0.00 O ATOM 421 CB PRO A 28 17.454 2.992 -7.448 1.00 0.00 C ATOM 422 CG PRO A 28 18.189 2.064 -6.541 1.00 0.00 C ATOM 423 CD PRO A 28 17.292 1.847 -5.357 1.00 0.00 C ATOM 0 HA PRO A 28 15.336 3.561 -7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.739 2.835 -8.488 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.675 4.033 -7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.409 1.121 -7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.143 2.492 -6.234 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.443 0.864 -4.910 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.471 2.584 -4.574 1.00 0.00 H new ATOM 431 N ARG A 29 15.359 0.509 -8.123 1.00 0.00 N ATOM 432 CA ARG A 29 14.856 -0.413 -9.127 1.00 0.00 C ATOM 433 C ARG A 29 13.426 -0.837 -8.816 1.00 0.00 C ATOM 434 O ARG A 29 12.614 -1.011 -9.725 1.00 0.00 O ATOM 435 CB ARG A 29 15.761 -1.646 -9.226 1.00 0.00 C ATOM 436 CG ARG A 29 15.265 -2.694 -10.215 1.00 0.00 C ATOM 437 CD ARG A 29 14.343 -3.703 -9.547 1.00 0.00 C ATOM 438 NE ARG A 29 13.648 -4.543 -10.520 1.00 0.00 N ATOM 439 CZ ARG A 29 13.639 -5.872 -10.473 1.00 0.00 C ATOM 440 NH1 ARG A 29 14.290 -6.510 -9.509 1.00 0.00 N ATOM 441 NH2 ARG A 29 12.979 -6.565 -11.391 1.00 0.00 N ATOM 0 H ARG A 29 15.643 0.069 -7.248 1.00 0.00 H new ATOM 0 HA ARG A 29 14.858 0.105 -10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.762 -1.328 -9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.847 -2.102 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.737 -2.203 -11.032 1.00 0.00 H new ATOM 0 HG3 ARG A 29 16.117 -3.213 -10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.924 -4.334 -8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.611 -3.175 -8.936 1.00 0.00 H new ATOM 0 HE ARG A 29 13.142 -4.084 -11.277 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.799 -5.981 -8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.281 -7.529 -9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.478 -6.079 -12.134 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.973 -7.584 -11.354 1.00 0.00 H new ATOM 455 N LEU A 30 13.113 -1.000 -7.532 1.00 0.00 N ATOM 456 CA LEU A 30 11.782 -1.420 -7.110 1.00 0.00 C ATOM 457 C LEU A 30 10.736 -0.332 -7.324 1.00 0.00 C ATOM 458 O LEU A 30 9.588 -0.633 -7.634 1.00 0.00 O ATOM 459 CB LEU A 30 11.812 -1.806 -5.628 1.00 0.00 C ATOM 460 CG LEU A 30 12.504 -3.134 -5.307 1.00 0.00 C ATOM 461 CD1 LEU A 30 13.995 -3.049 -5.598 1.00 0.00 C ATOM 462 CD2 LEU A 30 12.267 -3.514 -3.854 1.00 0.00 C ATOM 0 H LEU A 30 13.767 -0.846 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 30 11.501 -2.276 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.313 -1.012 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.786 -1.853 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 30 12.076 -3.908 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.467 -4.003 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.147 -2.819 -6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.441 -2.264 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.764 -4.460 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.670 -2.737 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.197 -3.618 -3.675 1.00 0.00 H new ATOM 474 N MET A 31 11.133 0.925 -7.142 1.00 0.00 N ATOM 475 CA MET A 31 10.221 2.060 -7.299 1.00 0.00 C ATOM 476 C MET A 31 9.187 1.830 -8.403 1.00 0.00 C ATOM 477 O MET A 31 8.013 2.158 -8.238 1.00 0.00 O ATOM 478 CB MET A 31 11.021 3.329 -7.587 1.00 0.00 C ATOM 479 CG MET A 31 12.048 3.156 -8.692 1.00 0.00 C ATOM 480 SD MET A 31 11.550 3.946 -10.235 1.00 0.00 S ATOM 481 CE MET A 31 11.347 5.643 -9.698 1.00 0.00 C ATOM 0 H MET A 31 12.085 1.186 -6.884 1.00 0.00 H new ATOM 0 HA MET A 31 9.673 2.170 -6.363 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.333 4.129 -7.862 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.529 3.645 -6.675 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.001 3.574 -8.366 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.210 2.093 -8.869 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.636 6.317 -10.505 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.304 5.819 -9.434 1.00 0.00 H new ATOM 0 HE3 MET A 31 11.977 5.827 -8.828 1.00 0.00 H new ATOM 491 N MET A 32 9.627 1.266 -9.520 1.00 0.00 N ATOM 492 CA MET A 32 8.754 0.994 -10.646 1.00 0.00 C ATOM 493 C MET A 32 8.072 -0.358 -10.511 1.00 0.00 C ATOM 494 O MET A 32 6.863 -0.478 -10.707 1.00 0.00 O ATOM 495 CB MET A 32 9.559 1.024 -11.937 1.00 0.00 C ATOM 496 CG MET A 32 9.160 2.160 -12.843 1.00 0.00 C ATOM 497 SD MET A 32 9.865 2.022 -14.497 1.00 0.00 S ATOM 498 CE MET A 32 11.616 2.030 -14.123 1.00 0.00 C ATOM 0 H MET A 32 10.597 0.986 -9.667 1.00 0.00 H new ATOM 0 HA MET A 32 7.983 1.765 -10.665 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.619 1.110 -11.698 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.427 0.080 -12.465 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.073 2.193 -12.919 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.477 3.102 -12.396 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.184 2.165 -15.043 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.838 2.847 -13.436 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.894 1.082 -13.661 1.00 0.00 H new ATOM 508 N ARG A 33 8.856 -1.371 -10.176 1.00 0.00 N ATOM 509 CA ARG A 33 8.334 -2.719 -10.039 1.00 0.00 C ATOM 510 C ARG A 33 7.452 -2.850 -8.800 1.00 0.00 C ATOM 511 O ARG A 33 6.836 -3.893 -8.576 1.00 0.00 O ATOM 512 CB ARG A 33 9.481 -3.728 -9.972 1.00 0.00 C ATOM 513 CG ARG A 33 10.497 -3.575 -11.093 1.00 0.00 C ATOM 514 CD ARG A 33 9.869 -3.822 -12.456 1.00 0.00 C ATOM 515 NE ARG A 33 9.318 -5.169 -12.569 1.00 0.00 N ATOM 516 CZ ARG A 33 8.725 -5.633 -13.666 1.00 0.00 C ATOM 517 NH1 ARG A 33 8.609 -4.862 -14.739 1.00 0.00 N ATOM 518 NH2 ARG A 33 8.248 -6.870 -13.690 1.00 0.00 N ATOM 0 H ARG A 33 9.856 -1.284 -9.994 1.00 0.00 H new ATOM 0 HA ARG A 33 7.721 -2.929 -10.916 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.991 -3.622 -9.015 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.068 -4.736 -10.003 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.923 -2.572 -11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.318 -4.275 -10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.079 -3.092 -12.629 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.618 -3.671 -13.233 1.00 0.00 H new ATOM 0 HE ARG A 33 9.392 -5.789 -11.762 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.975 -3.910 -14.725 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.154 -5.221 -15.578 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.336 -7.466 -12.867 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.793 -7.225 -14.531 1.00 0.00 H new ATOM 532 N GLY A 34 7.394 -1.790 -7.999 1.00 0.00 N ATOM 533 CA GLY A 34 6.590 -1.816 -6.791 1.00 0.00 C ATOM 534 C GLY A 34 5.365 -0.932 -6.890 1.00 0.00 C ATOM 535 O GLY A 34 4.263 -1.353 -6.539 1.00 0.00 O ATOM 0 H GLY A 34 7.889 -0.914 -8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.279 -2.841 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.199 -1.494 -5.946 1.00 0.00 H new ATOM 539 N GLU A 35 5.553 0.296 -7.368 1.00 0.00 N ATOM 540 CA GLU A 35 4.441 1.227 -7.508 1.00 0.00 C ATOM 541 C GLU A 35 3.405 0.654 -8.462 1.00 0.00 C ATOM 542 O GLU A 35 2.201 0.842 -8.279 1.00 0.00 O ATOM 543 CB GLU A 35 4.929 2.587 -8.017 1.00 0.00 C ATOM 544 CG GLU A 35 5.400 2.571 -9.463 1.00 0.00 C ATOM 545 CD GLU A 35 5.810 3.942 -9.959 1.00 0.00 C ATOM 546 OE1 GLU A 35 6.979 4.328 -9.745 1.00 0.00 O ATOM 547 OE2 GLU A 35 4.962 4.633 -10.563 1.00 0.00 O ATOM 0 H GLU A 35 6.457 0.665 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 35 3.987 1.372 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.122 3.313 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.747 2.929 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.243 1.887 -9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.602 2.183 -10.097 1.00 0.00 H new ATOM 554 N ALA A 36 3.884 -0.045 -9.486 1.00 0.00 N ATOM 555 CA ALA A 36 3.000 -0.659 -10.469 1.00 0.00 C ATOM 556 C ALA A 36 2.262 -1.857 -9.874 1.00 0.00 C ATOM 557 O ALA A 36 1.189 -2.233 -10.345 1.00 0.00 O ATOM 558 CB ALA A 36 3.790 -1.083 -11.698 1.00 0.00 C ATOM 0 H ALA A 36 4.878 -0.200 -9.656 1.00 0.00 H new ATOM 0 HA ALA A 36 2.258 0.082 -10.765 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.117 -1.540 -12.423 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.265 -0.209 -12.144 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.555 -1.804 -11.408 1.00 0.00 H new ATOM 564 N LEU A 37 2.846 -2.457 -8.841 1.00 0.00 N ATOM 565 CA LEU A 37 2.242 -3.614 -8.187 1.00 0.00 C ATOM 566 C LEU A 37 1.139 -3.204 -7.217 1.00 0.00 C ATOM 567 O LEU A 37 0.132 -3.900 -7.085 1.00 0.00 O ATOM 568 CB LEU A 37 3.306 -4.416 -7.440 1.00 0.00 C ATOM 569 CG LEU A 37 3.415 -5.883 -7.855 1.00 0.00 C ATOM 570 CD1 LEU A 37 4.255 -6.018 -9.116 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.009 -6.708 -6.725 1.00 0.00 C ATOM 0 H LEU A 37 3.736 -2.162 -8.439 1.00 0.00 H new ATOM 0 HA LEU A 37 1.796 -4.232 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.274 -3.938 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.092 -4.370 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 37 2.415 -6.260 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.322 -7.069 -9.398 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.790 -5.455 -9.925 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.255 -5.627 -8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.081 -7.751 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.003 -6.332 -6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.370 -6.634 -5.845 1.00 0.00 H new ATOM 583 N VAL A 38 1.326 -2.074 -6.542 1.00 0.00 N ATOM 584 CA VAL A 38 0.336 -1.602 -5.581 1.00 0.00 C ATOM 585 C VAL A 38 -0.944 -1.186 -6.295 1.00 0.00 C ATOM 586 O VAL A 38 -2.048 -1.487 -5.840 1.00 0.00 O ATOM 587 CB VAL A 38 0.857 -0.422 -4.732 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.261 -0.711 -4.222 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.826 0.877 -5.521 1.00 0.00 C ATOM 0 H VAL A 38 2.145 -1.474 -6.641 1.00 0.00 H new ATOM 0 HA VAL A 38 0.131 -2.434 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 38 0.196 -0.305 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.612 0.131 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.247 -1.610 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.932 -0.861 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.198 1.690 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.455 0.780 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.198 1.093 -5.826 1.00 0.00 H new ATOM 599 N TYR A 39 -0.786 -0.494 -7.417 1.00 0.00 N ATOM 600 CA TYR A 39 -1.925 -0.043 -8.204 1.00 0.00 C ATOM 601 C TYR A 39 -2.562 -1.218 -8.943 1.00 0.00 C ATOM 602 O TYR A 39 -3.738 -1.173 -9.304 1.00 0.00 O ATOM 603 CB TYR A 39 -1.489 1.054 -9.184 1.00 0.00 C ATOM 604 CG TYR A 39 -1.519 0.647 -10.642 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.414 0.060 -11.241 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.652 0.857 -11.418 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.435 -0.311 -12.572 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.682 0.490 -12.751 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.571 -0.093 -13.323 1.00 0.00 C ATOM 610 OH TYR A 39 -1.596 -0.459 -14.648 1.00 0.00 O ATOM 0 H TYR A 39 0.122 -0.233 -7.802 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.674 0.377 -7.533 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.136 1.921 -9.049 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.477 1.369 -8.929 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.478 -0.110 -10.657 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.523 1.314 -10.973 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.433 -0.769 -13.022 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.571 0.659 -13.341 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.470 -0.238 -15.032 1.00 0.00 H new ATOM 620 N ALA A 40 -1.774 -2.268 -9.161 1.00 0.00 N ATOM 621 CA ALA A 40 -2.259 -3.458 -9.848 1.00 0.00 C ATOM 622 C ALA A 40 -3.369 -4.128 -9.048 1.00 0.00 C ATOM 623 O ALA A 40 -4.349 -4.616 -9.610 1.00 0.00 O ATOM 624 CB ALA A 40 -1.115 -4.433 -10.089 1.00 0.00 C ATOM 0 H ALA A 40 -0.797 -2.317 -8.871 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.668 -3.155 -10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.493 -5.317 -10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.352 -3.954 -10.703 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.680 -4.727 -9.134 1.00 0.00 H new ATOM 630 N TRP A 41 -3.204 -4.149 -7.730 1.00 0.00 N ATOM 631 CA TRP A 41 -4.193 -4.746 -6.841 1.00 0.00 C ATOM 632 C TRP A 41 -5.350 -3.780 -6.604 1.00 0.00 C ATOM 633 O TRP A 41 -6.501 -4.192 -6.458 1.00 0.00 O ATOM 634 CB TRP A 41 -3.548 -5.120 -5.502 1.00 0.00 C ATOM 635 CG TRP A 41 -2.565 -6.249 -5.600 1.00 0.00 C ATOM 636 CD1 TRP A 41 -1.203 -6.152 -5.602 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.869 -7.644 -5.708 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.642 -7.403 -5.703 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.644 -8.334 -5.770 1.00 0.00 C ATOM 640 CE3 TRP A 41 -4.059 -8.377 -5.756 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -1.575 -9.721 -5.878 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.989 -9.754 -5.864 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.755 -10.414 -5.923 1.00 0.00 C ATOM 0 H TRP A 41 -2.392 -3.758 -7.253 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.578 -5.649 -7.315 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.042 -4.244 -5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.332 -5.393 -4.795 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.648 -5.228 -5.534 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.358 -7.605 -5.725 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.015 -7.877 -5.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.624 -10.232 -5.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.902 -10.330 -5.904 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.734 -11.491 -6.006 1.00 0.00 H new ATOM 654 N MET A 42 -5.029 -2.490 -6.571 1.00 0.00 N ATOM 655 CA MET A 42 -6.026 -1.448 -6.340 1.00 0.00 C ATOM 656 C MET A 42 -7.057 -1.384 -7.467 1.00 0.00 C ATOM 657 O MET A 42 -8.221 -1.058 -7.233 1.00 0.00 O ATOM 658 CB MET A 42 -5.329 -0.093 -6.196 1.00 0.00 C ATOM 659 CG MET A 42 -6.245 1.028 -5.732 1.00 0.00 C ATOM 660 SD MET A 42 -6.279 1.214 -3.938 1.00 0.00 S ATOM 661 CE MET A 42 -7.157 -0.267 -3.447 1.00 0.00 C ATOM 0 H MET A 42 -4.080 -2.139 -6.702 1.00 0.00 H new ATOM 0 HA MET A 42 -6.558 -1.693 -5.421 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.506 -0.193 -5.488 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.892 0.183 -7.156 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.920 1.966 -6.183 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.256 0.836 -6.091 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.363 -0.230 -2.377 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.096 -0.332 -3.996 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.546 -1.142 -3.668 1.00 0.00 H new ATOM 671 N ARG A 43 -6.629 -1.695 -8.688 1.00 0.00 N ATOM 672 CA ARG A 43 -7.522 -1.655 -9.844 1.00 0.00 C ATOM 673 C ARG A 43 -8.346 -2.935 -9.961 1.00 0.00 C ATOM 674 O ARG A 43 -9.305 -2.997 -10.731 1.00 0.00 O ATOM 675 CB ARG A 43 -6.721 -1.422 -11.130 1.00 0.00 C ATOM 676 CG ARG A 43 -5.617 -2.443 -11.368 1.00 0.00 C ATOM 677 CD ARG A 43 -6.152 -3.715 -12.007 1.00 0.00 C ATOM 678 NE ARG A 43 -6.793 -3.455 -13.294 1.00 0.00 N ATOM 679 CZ ARG A 43 -7.351 -4.399 -14.045 1.00 0.00 C ATOM 680 NH1 ARG A 43 -7.346 -5.663 -13.642 1.00 0.00 N ATOM 681 NH2 ARG A 43 -7.915 -4.081 -15.202 1.00 0.00 N ATOM 0 H ARG A 43 -5.672 -1.977 -8.903 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.213 -0.825 -9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.405 -1.437 -11.979 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.279 -0.426 -11.095 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.852 -2.008 -12.011 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.137 -2.687 -10.420 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.334 -4.422 -12.146 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.869 -4.185 -11.334 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.813 -2.494 -13.636 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.913 -5.913 -12.753 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.775 -6.385 -14.221 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.921 -3.111 -15.517 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.343 -4.807 -15.777 1.00 0.00 H new ATOM 695 N ARG A 44 -7.969 -3.954 -9.196 1.00 0.00 N ATOM 696 CA ARG A 44 -8.680 -5.229 -9.220 1.00 0.00 C ATOM 697 C ARG A 44 -9.860 -5.218 -8.254 1.00 0.00 C ATOM 698 O ARG A 44 -10.989 -5.530 -8.633 1.00 0.00 O ATOM 699 CB ARG A 44 -7.726 -6.373 -8.871 1.00 0.00 C ATOM 700 CG ARG A 44 -6.829 -6.790 -10.025 1.00 0.00 C ATOM 701 CD ARG A 44 -5.793 -7.811 -9.587 1.00 0.00 C ATOM 702 NE ARG A 44 -6.402 -8.952 -8.906 1.00 0.00 N ATOM 703 CZ ARG A 44 -5.788 -10.117 -8.729 1.00 0.00 C ATOM 704 NH1 ARG A 44 -4.560 -10.302 -9.192 1.00 0.00 N ATOM 705 NH2 ARG A 44 -6.404 -11.101 -8.087 1.00 0.00 N ATOM 0 H ARG A 44 -7.178 -3.923 -8.553 1.00 0.00 H new ATOM 0 HA ARG A 44 -9.067 -5.381 -10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.104 -6.072 -8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.309 -7.234 -8.545 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.437 -7.209 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.327 -5.912 -10.432 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.239 -8.162 -10.458 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.073 -7.334 -8.922 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.351 -8.848 -8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.082 -9.548 -9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.092 -11.198 -9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.349 -10.963 -7.729 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.932 -11.995 -7.951 1.00 0.00 H new ATOM 719 N LEU A 45 -9.585 -4.864 -7.002 1.00 0.00 N ATOM 720 CA LEU A 45 -10.617 -4.805 -5.969 1.00 0.00 C ATOM 721 C LEU A 45 -11.866 -4.084 -6.465 1.00 0.00 C ATOM 722 O LEU A 45 -12.958 -4.307 -5.954 1.00 0.00 O ATOM 723 CB LEU A 45 -10.094 -4.101 -4.723 1.00 0.00 C ATOM 724 CG LEU A 45 -8.682 -4.500 -4.290 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.198 -3.606 -3.158 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.646 -5.963 -3.869 1.00 0.00 C ATOM 0 H LEU A 45 -8.652 -4.612 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.882 -5.833 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.112 -3.025 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.779 -4.300 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.012 -4.371 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.192 -3.905 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.185 -2.569 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.870 -3.703 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.634 -6.229 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.329 -6.118 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.949 -6.590 -4.707 1.00 0.00 H new ATOM 738 N CYS A 46 -11.704 -3.215 -7.454 1.00 0.00 N ATOM 739 CA CYS A 46 -12.832 -2.478 -8.013 1.00 0.00 C ATOM 740 C CYS A 46 -12.872 -2.627 -9.532 1.00 0.00 C ATOM 741 O CYS A 46 -11.866 -2.423 -10.212 1.00 0.00 O ATOM 742 CB CYS A 46 -12.749 -0.999 -7.640 1.00 0.00 C ATOM 743 SG CYS A 46 -14.065 0.017 -8.352 1.00 0.00 S ATOM 0 H CYS A 46 -10.805 -3.003 -7.886 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.747 -2.895 -7.593 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.781 -0.907 -6.554 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.785 -0.607 -7.965 1.00 0.00 H new ATOM 0 HG CYS A 46 -15.096 -0.730 -8.615 1.00 0.00 H new ATOM 749 N GLU A 47 -14.041 -2.982 -10.055 1.00 0.00 N ATOM 750 CA GLU A 47 -14.215 -3.161 -11.492 1.00 0.00 C ATOM 751 C GLU A 47 -14.179 -1.816 -12.205 1.00 0.00 C ATOM 752 O GLU A 47 -13.835 -1.731 -13.384 1.00 0.00 O ATOM 753 CB GLU A 47 -15.540 -3.867 -11.783 1.00 0.00 C ATOM 754 CG GLU A 47 -16.757 -3.000 -11.519 1.00 0.00 C ATOM 755 CD GLU A 47 -16.989 -2.745 -10.043 1.00 0.00 C ATOM 756 OE1 GLU A 47 -17.661 -3.576 -9.396 1.00 0.00 O ATOM 757 OE2 GLU A 47 -16.500 -1.716 -9.533 1.00 0.00 O ATOM 0 H GLU A 47 -14.883 -3.152 -9.505 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.396 -3.777 -11.862 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.551 -4.188 -12.825 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.605 -4.767 -11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.636 -2.046 -12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -17.639 -3.481 -11.943 1.00 0.00 H new ATOM 764 N ARG A 48 -14.540 -0.767 -11.475 1.00 0.00 N ATOM 765 CA ARG A 48 -14.552 0.581 -12.023 1.00 0.00 C ATOM 766 C ARG A 48 -13.433 1.412 -11.409 1.00 0.00 C ATOM 767 O ARG A 48 -13.652 2.535 -10.955 1.00 0.00 O ATOM 768 CB ARG A 48 -15.905 1.248 -11.765 1.00 0.00 C ATOM 769 CG ARG A 48 -17.076 0.506 -12.389 1.00 0.00 C ATOM 770 CD ARG A 48 -18.386 1.243 -12.167 1.00 0.00 C ATOM 771 NE ARG A 48 -18.359 2.588 -12.735 1.00 0.00 N ATOM 772 CZ ARG A 48 -19.451 3.298 -13.006 1.00 0.00 C ATOM 773 NH1 ARG A 48 -20.653 2.791 -12.765 1.00 0.00 N ATOM 774 NH2 ARG A 48 -19.342 4.516 -13.519 1.00 0.00 N ATOM 0 H ARG A 48 -14.829 -0.826 -10.499 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.392 0.518 -13.099 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.065 1.323 -10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.880 2.265 -12.156 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.903 0.385 -13.458 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -17.143 -0.494 -11.961 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.202 0.676 -12.616 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -18.591 1.305 -11.098 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.451 3.007 -12.935 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.742 1.854 -12.371 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.488 3.338 -12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.420 4.910 -13.706 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.180 5.059 -13.726 1.00 0.00 H new ATOM 788 N TYR A 49 -12.229 0.849 -11.406 1.00 0.00 N ATOM 789 CA TYR A 49 -11.069 1.528 -10.845 1.00 0.00 C ATOM 790 C TYR A 49 -10.038 1.830 -11.926 1.00 0.00 C ATOM 791 O TYR A 49 -9.220 0.977 -12.272 1.00 0.00 O ATOM 792 CB TYR A 49 -10.434 0.672 -9.751 1.00 0.00 C ATOM 793 CG TYR A 49 -9.853 1.479 -8.618 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.739 2.286 -8.811 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.423 1.438 -7.355 1.00 0.00 C ATOM 796 CE1 TYR A 49 -8.211 3.030 -7.773 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.902 2.175 -6.312 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.797 2.971 -6.525 1.00 0.00 C ATOM 799 OH TYR A 49 -8.275 3.710 -5.489 1.00 0.00 O ATOM 0 H TYR A 49 -12.032 -0.077 -11.786 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.406 2.471 -10.414 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.185 -0.011 -9.353 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.647 0.059 -10.191 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.279 2.333 -9.787 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.291 0.818 -7.185 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.345 3.654 -7.938 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.357 2.129 -5.334 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.804 3.557 -4.679 1.00 0.00 H new ATOM 809 N ASN A 50 -10.084 3.046 -12.460 1.00 0.00 N ATOM 810 CA ASN A 50 -9.148 3.460 -13.500 1.00 0.00 C ATOM 811 C ASN A 50 -7.785 3.797 -12.904 1.00 0.00 C ATOM 812 O ASN A 50 -6.751 3.360 -13.412 1.00 0.00 O ATOM 813 CB ASN A 50 -9.699 4.668 -14.261 1.00 0.00 C ATOM 814 CG ASN A 50 -10.971 4.348 -15.022 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.074 3.120 -15.523 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -11.853 5.195 -15.164 1.00 0.00 N flip ATOM 0 H ASN A 50 -10.759 3.762 -12.190 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.024 2.628 -14.194 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.895 5.477 -13.558 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.943 5.028 -14.959 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.735 6.126 -14.764 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.701 4.966 -15.682 1.00 0.00 H new ATOM 823 N GLY A 51 -7.789 4.574 -11.825 1.00 0.00 N ATOM 824 CA GLY A 51 -6.545 4.951 -11.180 1.00 0.00 C ATOM 825 C GLY A 51 -6.680 6.200 -10.330 1.00 0.00 C ATOM 826 O GLY A 51 -7.788 6.693 -10.112 1.00 0.00 O ATOM 0 H GLY A 51 -8.630 4.949 -11.387 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.201 4.127 -10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.782 5.115 -11.941 1.00 0.00 H new ATOM 830 N ALA A 52 -5.547 6.714 -9.857 1.00 0.00 N ATOM 831 CA ALA A 52 -5.530 7.911 -9.022 1.00 0.00 C ATOM 832 C ALA A 52 -4.102 8.311 -8.669 1.00 0.00 C ATOM 833 O ALA A 52 -3.145 7.650 -9.072 1.00 0.00 O ATOM 834 CB ALA A 52 -6.339 7.687 -7.755 1.00 0.00 C ATOM 0 H ALA A 52 -4.625 6.317 -10.039 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.983 8.724 -9.590 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.316 8.589 -7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.371 7.454 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.912 6.857 -7.192 1.00 0.00 H new ATOM 840 N TYR A 53 -3.965 9.399 -7.915 1.00 0.00 N ATOM 841 CA TYR A 53 -2.652 9.883 -7.506 1.00 0.00 C ATOM 842 C TYR A 53 -2.200 9.213 -6.213 1.00 0.00 C ATOM 843 O TYR A 53 -2.567 9.639 -5.120 1.00 0.00 O ATOM 844 CB TYR A 53 -2.676 11.401 -7.325 1.00 0.00 C ATOM 845 CG TYR A 53 -2.446 12.169 -8.607 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.278 11.998 -9.337 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.396 13.064 -9.083 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.061 12.699 -10.508 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.186 13.768 -10.254 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.018 13.583 -10.962 1.00 0.00 C ATOM 851 OH TYR A 53 -1.805 14.282 -12.128 1.00 0.00 O ATOM 0 H TYR A 53 -4.746 9.960 -7.576 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.941 9.629 -8.292 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.638 11.693 -6.905 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.913 11.684 -6.600 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.527 11.306 -8.984 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.312 13.212 -8.530 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.147 12.556 -11.065 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.934 14.460 -10.612 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.575 14.861 -12.308 1.00 0.00 H new ATOM 861 N TRP A 54 -1.415 8.154 -6.354 1.00 0.00 N ATOM 862 CA TRP A 54 -0.902 7.413 -5.205 1.00 0.00 C ATOM 863 C TRP A 54 0.123 8.235 -4.426 1.00 0.00 C ATOM 864 O TRP A 54 1.330 8.039 -4.569 1.00 0.00 O ATOM 865 CB TRP A 54 -0.280 6.095 -5.670 1.00 0.00 C ATOM 866 CG TRP A 54 -0.984 5.503 -6.853 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.289 5.107 -6.917 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.424 5.247 -8.146 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.576 4.626 -8.170 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.446 4.698 -8.943 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.843 5.429 -8.709 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.241 4.331 -10.271 1.00 0.00 C ATOM 873 CZ3 TRP A 54 1.046 5.064 -10.026 1.00 0.00 C ATOM 874 CH2 TRP A 54 0.009 4.520 -10.795 1.00 0.00 C ATOM 0 H TRP A 54 -1.117 7.785 -7.257 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.737 7.201 -4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.767 6.263 -5.923 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.299 5.380 -4.847 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.993 5.164 -6.100 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.482 4.273 -8.476 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.649 5.848 -8.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.040 3.912 -10.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.021 5.200 -10.470 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.200 4.244 -11.822 1.00 0.00 H new ATOM 885 N HIS A 55 -0.373 9.165 -3.615 1.00 0.00 N ATOM 886 CA HIS A 55 0.483 10.023 -2.803 1.00 0.00 C ATOM 887 C HIS A 55 1.487 9.203 -2.011 1.00 0.00 C ATOM 888 O HIS A 55 1.135 8.200 -1.387 1.00 0.00 O ATOM 889 CB HIS A 55 -0.358 10.864 -1.841 1.00 0.00 C ATOM 890 CG HIS A 55 -1.262 11.840 -2.524 1.00 0.00 C ATOM 891 ND1 HIS A 55 -0.910 13.150 -2.771 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.515 11.691 -3.010 1.00 0.00 C ATOM 893 CE1 HIS A 55 -1.908 13.764 -3.379 1.00 0.00 C ATOM 894 NE2 HIS A 55 -2.895 12.901 -3.537 1.00 0.00 N ATOM 0 H HIS A 55 -1.371 9.344 -3.503 1.00 0.00 H new ATOM 0 HA HIS A 55 1.026 10.683 -3.480 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.959 10.198 -1.222 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.308 11.408 -1.171 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.018 13.578 -2.523 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.107 10.788 -2.988 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.916 14.797 -3.694 1.00 0.00 H new ATOM 903 N TYR A 56 2.741 9.634 -2.039 1.00 0.00 N ATOM 904 CA TYR A 56 3.796 8.945 -1.312 1.00 0.00 C ATOM 905 C TYR A 56 3.811 9.404 0.142 1.00 0.00 C ATOM 906 O TYR A 56 3.911 10.597 0.425 1.00 0.00 O ATOM 907 CB TYR A 56 5.157 9.201 -1.968 1.00 0.00 C ATOM 908 CG TYR A 56 5.247 8.739 -3.412 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.283 7.906 -3.970 1.00 0.00 C ATOM 910 CD2 TYR A 56 6.304 9.143 -4.219 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.371 7.491 -5.286 1.00 0.00 C ATOM 912 CE2 TYR A 56 6.398 8.731 -5.534 1.00 0.00 C ATOM 913 CZ TYR A 56 5.429 7.906 -6.063 1.00 0.00 C ATOM 914 OH TYR A 56 5.520 7.494 -7.373 1.00 0.00 O ATOM 0 H TYR A 56 3.051 10.456 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 56 3.599 7.873 -1.341 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.374 10.268 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.929 8.696 -1.387 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.451 7.578 -3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.066 9.791 -3.811 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.613 6.844 -5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.228 9.054 -6.145 1.00 0.00 H new ATOM 0 HH TYR A 56 6.325 7.877 -7.781 1.00 0.00 H new ATOM 924 N TYR A 57 3.714 8.448 1.058 1.00 0.00 N ATOM 925 CA TYR A 57 3.700 8.761 2.482 1.00 0.00 C ATOM 926 C TYR A 57 4.923 8.198 3.194 1.00 0.00 C ATOM 927 O TYR A 57 5.385 7.100 2.887 1.00 0.00 O ATOM 928 CB TYR A 57 2.425 8.228 3.135 1.00 0.00 C ATOM 929 CG TYR A 57 1.217 9.105 2.903 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.411 8.933 1.785 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.884 10.109 3.804 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.692 9.738 1.571 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.216 10.917 3.597 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.002 10.728 2.480 1.00 0.00 C ATOM 935 OH TYR A 57 -2.099 11.531 2.270 1.00 0.00 O ATOM 0 H TYR A 57 3.644 7.454 0.842 1.00 0.00 H new ATOM 0 HA TYR A 57 3.725 9.847 2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.219 7.230 2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.590 8.127 4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.650 8.158 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.496 10.260 4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.308 9.593 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.460 11.694 4.307 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.177 12.176 3.003 1.00 0.00 H new ATOM 945 N ALA A 58 5.439 8.966 4.147 1.00 0.00 N ATOM 946 CA ALA A 58 6.604 8.561 4.918 1.00 0.00 C ATOM 947 C ALA A 58 6.206 8.202 6.345 1.00 0.00 C ATOM 948 O ALA A 58 5.941 9.081 7.165 1.00 0.00 O ATOM 949 CB ALA A 58 7.646 9.669 4.924 1.00 0.00 C ATOM 0 H ALA A 58 5.064 9.879 4.404 1.00 0.00 H new ATOM 0 HA ALA A 58 7.036 7.677 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.512 9.351 5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.954 9.884 3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.219 10.567 5.371 1.00 0.00 H new ATOM 955 N LEU A 59 6.165 6.908 6.634 1.00 0.00 N ATOM 956 CA LEU A 59 5.795 6.433 7.959 1.00 0.00 C ATOM 957 C LEU A 59 6.934 6.650 8.949 1.00 0.00 C ATOM 958 O LEU A 59 8.109 6.557 8.591 1.00 0.00 O ATOM 959 CB LEU A 59 5.415 4.955 7.893 1.00 0.00 C ATOM 960 CG LEU A 59 4.005 4.673 7.376 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.932 3.290 6.754 1.00 0.00 C ATOM 962 CD2 LEU A 59 2.989 4.806 8.498 1.00 0.00 C ATOM 0 H LEU A 59 6.384 6.168 5.967 1.00 0.00 H new ATOM 0 HA LEU A 59 4.934 7.004 8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.130 4.440 7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.513 4.525 8.890 1.00 0.00 H new ATOM 0 HG LEU A 59 3.768 5.409 6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.920 3.107 6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.633 3.228 5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.190 2.541 7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.991 4.602 8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.225 4.094 9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.022 5.818 8.900 1.00 0.00 H new ATOM 974 N SER A 60 6.577 6.941 10.196 1.00 0.00 N ATOM 975 CA SER A 60 7.565 7.186 11.241 1.00 0.00 C ATOM 976 C SER A 60 8.385 5.933 11.528 1.00 0.00 C ATOM 977 O SER A 60 9.554 6.017 11.903 1.00 0.00 O ATOM 978 CB SER A 60 6.876 7.660 12.520 1.00 0.00 C ATOM 979 OG SER A 60 7.820 7.927 13.542 1.00 0.00 O ATOM 0 H SER A 60 5.609 7.013 10.508 1.00 0.00 H new ATOM 0 HA SER A 60 8.241 7.964 10.887 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.297 8.560 12.312 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.173 6.900 12.860 1.00 0.00 H new ATOM 0 HG SER A 60 8.107 7.084 13.951 1.00 0.00 H new ATOM 985 N ASP A 61 7.764 4.772 11.349 1.00 0.00 N ATOM 986 CA ASP A 61 8.433 3.502 11.595 1.00 0.00 C ATOM 987 C ASP A 61 7.868 2.408 10.698 1.00 0.00 C ATOM 988 O ASP A 61 8.165 1.227 10.880 1.00 0.00 O ATOM 989 CB ASP A 61 8.282 3.103 13.062 1.00 0.00 C ATOM 990 CG ASP A 61 9.075 4.000 13.992 1.00 0.00 C ATOM 991 OD1 ASP A 61 10.255 3.686 14.255 1.00 0.00 O ATOM 992 OD2 ASP A 61 8.517 5.016 14.458 1.00 0.00 O ATOM 0 H ASP A 61 6.798 4.685 11.034 1.00 0.00 H new ATOM 0 HA ASP A 61 9.491 3.624 11.364 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.228 3.139 13.338 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.610 2.071 13.190 1.00 0.00 H new ATOM 997 N GLY A 62 7.054 2.810 9.729 1.00 0.00 N ATOM 998 CA GLY A 62 6.458 1.856 8.815 1.00 0.00 C ATOM 999 C GLY A 62 7.085 1.915 7.440 1.00 0.00 C ATOM 1000 O GLY A 62 6.567 1.333 6.486 1.00 0.00 O ATOM 0 H GLY A 62 6.796 3.782 9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.568 0.850 9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.389 2.052 8.734 1.00 0.00 H new ATOM 1004 N GLY A 63 8.202 2.623 7.343 1.00 0.00 N ATOM 1005 CA GLY A 63 8.889 2.755 6.075 1.00 0.00 C ATOM 1006 C GLY A 63 8.232 3.791 5.190 1.00 0.00 C ATOM 1007 O GLY A 63 8.674 4.939 5.136 1.00 0.00 O ATOM 0 H GLY A 63 8.645 3.109 8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.928 3.033 6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.898 1.792 5.564 1.00 0.00 H new ATOM 1011 N PHE A 64 7.169 3.383 4.504 1.00 0.00 N ATOM 1012 CA PHE A 64 6.435 4.279 3.621 1.00 0.00 C ATOM 1013 C PHE A 64 5.297 3.541 2.925 1.00 0.00 C ATOM 1014 O PHE A 64 5.431 2.373 2.559 1.00 0.00 O ATOM 1015 CB PHE A 64 7.371 4.893 2.573 1.00 0.00 C ATOM 1016 CG PHE A 64 7.646 3.992 1.404 1.00 0.00 C ATOM 1017 CD1 PHE A 64 8.613 3.005 1.484 1.00 0.00 C ATOM 1018 CD2 PHE A 64 6.930 4.130 0.225 1.00 0.00 C ATOM 1019 CE1 PHE A 64 8.862 2.173 0.410 1.00 0.00 C ATOM 1020 CE2 PHE A 64 7.174 3.301 -0.850 1.00 0.00 C ATOM 1021 CZ PHE A 64 8.141 2.321 -0.758 1.00 0.00 C ATOM 0 H PHE A 64 6.797 2.434 4.544 1.00 0.00 H new ATOM 0 HA PHE A 64 6.014 5.078 4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.933 5.822 2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.316 5.152 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.179 2.884 2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.172 4.896 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.620 1.407 0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.609 3.419 -1.763 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.334 1.671 -1.598 1.00 0.00 H new ATOM 1031 N TYR A 65 4.175 4.227 2.753 1.00 0.00 N ATOM 1032 CA TYR A 65 3.020 3.641 2.080 1.00 0.00 C ATOM 1033 C TYR A 65 2.411 4.636 1.092 1.00 0.00 C ATOM 1034 O TYR A 65 2.492 5.848 1.289 1.00 0.00 O ATOM 1035 CB TYR A 65 1.971 3.178 3.099 1.00 0.00 C ATOM 1036 CG TYR A 65 0.877 4.186 3.369 1.00 0.00 C ATOM 1037 CD1 TYR A 65 1.057 5.215 4.285 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.339 4.105 2.702 1.00 0.00 C ATOM 1039 CE1 TYR A 65 0.056 6.135 4.529 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.343 5.023 2.939 1.00 0.00 C ATOM 1041 CZ TYR A 65 -1.141 6.036 3.853 1.00 0.00 C ATOM 1042 OH TYR A 65 -2.140 6.951 4.092 1.00 0.00 O ATOM 0 H TYR A 65 4.039 5.187 3.069 1.00 0.00 H new ATOM 0 HA TYR A 65 3.358 2.768 1.523 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.517 2.254 2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.473 2.944 4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.995 5.297 4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.502 3.312 1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.211 6.928 5.246 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.282 4.948 2.411 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.917 6.740 3.534 1.00 0.00 H new ATOM 1052 N MET A 66 1.807 4.116 0.029 1.00 0.00 N ATOM 1053 CA MET A 66 1.188 4.959 -0.993 1.00 0.00 C ATOM 1054 C MET A 66 -0.326 4.788 -0.997 1.00 0.00 C ATOM 1055 O MET A 66 -0.839 3.695 -0.756 1.00 0.00 O ATOM 1056 CB MET A 66 1.757 4.621 -2.373 1.00 0.00 C ATOM 1057 CG MET A 66 3.273 4.506 -2.393 1.00 0.00 C ATOM 1058 SD MET A 66 3.952 4.489 -4.064 1.00 0.00 S ATOM 1059 CE MET A 66 2.970 3.201 -4.826 1.00 0.00 C ATOM 0 H MET A 66 1.732 3.115 -0.149 1.00 0.00 H new ATOM 0 HA MET A 66 1.415 5.999 -0.758 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.325 3.681 -2.715 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.450 5.390 -3.082 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.703 5.341 -1.840 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.570 3.594 -1.876 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.264 3.088 -5.869 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.132 2.260 -4.300 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.915 3.469 -4.774 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.037 5.877 -1.272 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.496 5.849 -1.307 1.00 0.00 C ATOM 1071 C ALA A 67 -3.043 6.731 -2.427 1.00 0.00 C ATOM 1072 O ALA A 67 -2.573 7.852 -2.627 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.060 6.290 0.034 1.00 0.00 C ATOM 0 H ALA A 67 -0.628 6.789 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.808 4.824 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.149 6.265 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.708 5.617 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.727 7.305 0.253 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.049 6.236 -3.171 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.662 6.987 -4.273 1.00 0.00 C ATOM 1081 C PRO A 68 -5.364 8.251 -3.791 1.00 0.00 C ATOM 1082 O PRO A 68 -5.652 8.398 -2.604 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.678 6.003 -4.862 1.00 0.00 C ATOM 1084 CG PRO A 68 -5.950 5.029 -3.769 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.666 4.909 -2.998 1.00 0.00 C ATOM 0 HA PRO A 68 -3.918 7.329 -4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.590 6.515 -5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.278 5.504 -5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.760 5.377 -3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.255 4.064 -4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.846 4.682 -1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.032 4.115 -3.392 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.636 9.164 -4.720 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.301 10.418 -4.387 1.00 0.00 C ATOM 1095 C ASP A 69 -7.712 10.465 -4.967 1.00 0.00 C ATOM 1096 O ASP A 69 -7.925 10.982 -6.065 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.486 11.600 -4.912 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.010 12.932 -4.411 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -5.630 13.338 -3.292 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -6.803 13.568 -5.137 1.00 0.00 O ATOM 0 H ASP A 69 -5.406 9.058 -5.708 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.375 10.482 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.446 11.484 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.502 11.593 -6.002 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.671 9.916 -4.228 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.055 9.895 -4.665 1.00 0.00 C ATOM 1107 C LEU A 70 -10.998 10.073 -3.483 1.00 0.00 C ATOM 1108 O LEU A 70 -10.644 9.789 -2.339 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.374 8.576 -5.371 1.00 0.00 C ATOM 1110 CG LEU A 70 -9.466 8.223 -6.550 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -9.624 6.756 -6.918 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -9.771 9.111 -7.747 1.00 0.00 C ATOM 0 H LEU A 70 -8.510 9.479 -3.321 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.197 10.721 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.320 7.770 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.404 8.614 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.432 8.396 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.972 6.519 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.354 6.135 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.660 6.560 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.114 8.844 -8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.809 8.972 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.608 10.154 -7.477 1.00 0.00 H new ATOM 1124 N ALA A 71 -12.194 10.556 -3.781 1.00 0.00 N ATOM 1125 CA ALA A 71 -13.221 10.758 -2.763 1.00 0.00 C ATOM 1126 C ALA A 71 -13.375 9.489 -1.930 1.00 0.00 C ATOM 1127 O ALA A 71 -12.911 8.423 -2.335 1.00 0.00 O ATOM 1128 CB ALA A 71 -14.545 11.139 -3.408 1.00 0.00 C ATOM 0 H ALA A 71 -12.481 10.818 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.917 11.576 -2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -15.298 11.285 -2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -14.422 12.063 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -14.865 10.342 -4.080 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.032 9.585 -0.779 1.00 0.00 N ATOM 1135 CA GLY A 72 -14.192 8.414 0.061 1.00 0.00 C ATOM 1136 C GLY A 72 -15.414 7.596 -0.300 1.00 0.00 C ATOM 1137 O GLY A 72 -16.217 8.002 -1.140 1.00 0.00 O ATOM 0 H GLY A 72 -14.451 10.441 -0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.304 7.788 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.264 8.727 1.103 1.00 0.00 H new ATOM 1141 N ARG A 73 -15.548 6.439 0.339 1.00 0.00 N ATOM 1142 CA ARG A 73 -16.673 5.547 0.093 1.00 0.00 C ATOM 1143 C ARG A 73 -16.714 5.128 -1.371 1.00 0.00 C ATOM 1144 O ARG A 73 -17.382 5.756 -2.194 1.00 0.00 O ATOM 1145 CB ARG A 73 -17.994 6.213 0.485 1.00 0.00 C ATOM 1146 CG ARG A 73 -18.082 6.592 1.956 1.00 0.00 C ATOM 1147 CD ARG A 73 -17.301 7.860 2.260 1.00 0.00 C ATOM 1148 NE ARG A 73 -17.452 8.279 3.651 1.00 0.00 N ATOM 1149 CZ ARG A 73 -16.790 9.299 4.190 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -15.932 9.997 3.458 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -16.984 9.621 5.461 1.00 0.00 N ATOM 0 H ARG A 73 -14.886 6.096 1.035 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.538 4.658 0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.131 7.110 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.815 5.538 0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.127 6.733 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.698 5.774 2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.245 7.695 2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.640 8.660 1.602 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.102 7.760 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.779 9.752 2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.425 10.779 3.873 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.642 9.086 6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.475 10.404 5.872 1.00 0.00 H new ATOM 1165 N LEU A 74 -15.987 4.064 -1.685 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.922 3.545 -3.045 1.00 0.00 C ATOM 1167 C LEU A 74 -16.110 2.034 -3.051 1.00 0.00 C ATOM 1168 O LEU A 74 -15.455 1.316 -2.296 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.581 3.905 -3.687 1.00 0.00 C ATOM 1170 CG LEU A 74 -14.238 5.396 -3.685 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -12.875 5.630 -4.318 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -15.311 6.192 -4.412 1.00 0.00 C ATOM 0 H LEU A 74 -15.430 3.540 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 74 -16.726 4.000 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.790 3.366 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.583 3.550 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.199 5.739 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -12.647 6.696 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.114 5.091 -3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.885 5.271 -5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.050 7.250 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -15.383 5.848 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -16.270 6.050 -3.914 1.00 0.00 H new ATOM 1184 N GLU A 75 -17.004 1.555 -3.909 1.00 0.00 N ATOM 1185 CA GLU A 75 -17.275 0.127 -4.008 1.00 0.00 C ATOM 1186 C GLU A 75 -15.997 -0.647 -4.309 1.00 0.00 C ATOM 1187 O GLU A 75 -15.460 -0.574 -5.415 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.318 -0.141 -5.095 1.00 0.00 C ATOM 1189 CG GLU A 75 -19.573 0.707 -4.956 1.00 0.00 C ATOM 1190 CD GLU A 75 -20.556 0.483 -6.088 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -20.351 1.063 -7.175 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -21.531 -0.270 -5.887 1.00 0.00 O ATOM 0 H GLU A 75 -17.552 2.134 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.666 -0.212 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -17.870 0.045 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -18.596 -1.194 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -20.059 0.478 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -19.294 1.760 -4.925 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.517 -1.386 -3.316 1.00 0.00 N ATOM 1200 CA ILE A 76 -14.299 -2.171 -3.467 1.00 0.00 C ATOM 1201 C ILE A 76 -14.517 -3.622 -3.042 1.00 0.00 C ATOM 1202 O ILE A 76 -14.636 -3.924 -1.853 1.00 0.00 O ATOM 1203 CB ILE A 76 -13.136 -1.558 -2.654 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.474 -0.425 -3.448 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -12.113 -2.622 -2.279 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.486 -0.899 -4.493 1.00 0.00 C ATOM 0 H ILE A 76 -15.953 -1.458 -2.397 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.035 -2.154 -4.524 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.542 -1.145 -1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.250 0.163 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.961 0.240 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.305 -2.165 -1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.594 -3.392 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.707 -3.072 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.062 -0.038 -5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.687 -1.461 -4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.996 -1.539 -5.212 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.587 -4.510 -4.025 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.770 -5.930 -3.756 1.00 0.00 C ATOM 1220 C GLU A 77 -13.422 -6.582 -3.478 1.00 0.00 C ATOM 1221 O GLU A 77 -12.631 -6.829 -4.388 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.485 -6.630 -4.919 1.00 0.00 C ATOM 1223 CG GLU A 77 -14.796 -6.467 -6.264 1.00 0.00 C ATOM 1224 CD GLU A 77 -15.515 -7.199 -7.379 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -15.209 -8.390 -7.601 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -16.385 -6.584 -8.030 1.00 0.00 O ATOM 0 H GLU A 77 -14.520 -4.272 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.402 -6.035 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.568 -7.693 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.500 -6.240 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.735 -5.407 -6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.773 -6.837 -6.192 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.169 -6.847 -2.206 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.921 -7.438 -1.775 1.00 0.00 C ATOM 1235 C VAL A 78 -11.925 -8.947 -1.973 1.00 0.00 C ATOM 1236 O VAL A 78 -12.376 -9.690 -1.103 1.00 0.00 O ATOM 1237 CB VAL A 78 -11.679 -7.122 -0.291 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -10.282 -7.518 0.118 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.921 -5.645 -0.015 1.00 0.00 C ATOM 0 H VAL A 78 -13.824 -6.657 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.122 -7.012 -2.382 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.384 -7.703 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.132 -7.286 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.146 -8.588 -0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.557 -6.967 -0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.745 -5.439 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.241 -5.046 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.951 -5.392 -0.268 1.00 0.00 H new ATOM 1249 N ASN A 79 -11.426 -9.404 -3.121 1.00 0.00 N ATOM 1250 CA ASN A 79 -11.381 -10.832 -3.410 1.00 0.00 C ATOM 1251 C ASN A 79 -10.423 -11.545 -2.464 1.00 0.00 C ATOM 1252 O ASN A 79 -10.647 -12.696 -2.090 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.948 -11.063 -4.859 1.00 0.00 C ATOM 1254 CG ASN A 79 -9.520 -10.620 -5.111 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -8.588 -11.422 -5.043 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -9.340 -9.336 -5.393 1.00 0.00 N ATOM 0 H ASN A 79 -11.050 -8.809 -3.860 1.00 0.00 H new ATOM 0 HA ASN A 79 -12.381 -11.241 -3.265 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.046 -12.121 -5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.617 -10.521 -5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.400 -8.978 -5.564 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.141 -8.707 -5.439 1.00 0.00 H new ATOM 1263 N GLY A 80 -9.346 -10.851 -2.096 1.00 0.00 N ATOM 1264 CA GLY A 80 -8.358 -11.412 -1.190 1.00 0.00 C ATOM 1265 C GLY A 80 -8.976 -12.178 -0.035 1.00 0.00 C ATOM 1266 O GLY A 80 -8.353 -13.086 0.517 1.00 0.00 O ATOM 0 H GLY A 80 -9.141 -9.903 -2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.699 -12.077 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.738 -10.607 -0.794 1.00 0.00 H new ATOM 1270 N ASN A 81 -10.200 -11.814 0.334 1.00 0.00 N ATOM 1271 CA ASN A 81 -10.896 -12.481 1.423 1.00 0.00 C ATOM 1272 C ASN A 81 -12.409 -12.412 1.232 1.00 0.00 C ATOM 1273 O ASN A 81 -13.173 -12.704 2.153 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.506 -11.859 2.762 1.00 0.00 C ATOM 1275 CG ASN A 81 -11.190 -10.533 3.007 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -12.259 -10.479 3.614 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.577 -9.455 2.536 1.00 0.00 N ATOM 0 H ASN A 81 -10.728 -11.061 -0.106 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.600 -13.530 1.420 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.760 -12.549 3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.426 -11.718 2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.991 -8.533 2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.691 -9.548 2.039 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.838 -12.029 0.030 1.00 0.00 N ATOM 1285 CA GLY A 82 -14.257 -11.943 -0.262 1.00 0.00 C ATOM 1286 C GLY A 82 -14.963 -10.841 0.503 1.00 0.00 C ATOM 1287 O GLY A 82 -16.189 -10.853 0.618 1.00 0.00 O ATOM 0 H GLY A 82 -12.226 -11.777 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.391 -11.777 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.727 -12.898 -0.027 1.00 0.00 H new ATOM 1291 N PHE A 83 -14.202 -9.888 1.030 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.788 -8.787 1.784 1.00 0.00 C ATOM 1293 C PHE A 83 -15.351 -7.717 0.858 1.00 0.00 C ATOM 1294 O PHE A 83 -14.647 -6.789 0.463 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.756 -8.166 2.729 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.235 -6.911 3.405 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.381 -6.921 4.187 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.542 -5.720 3.254 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -15.824 -5.767 4.806 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -13.981 -4.563 3.870 1.00 0.00 C ATOM 1301 CZ PHE A 83 -15.123 -4.587 4.647 1.00 0.00 C ATOM 0 H PHE A 83 -13.186 -9.856 0.950 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.608 -9.197 2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.486 -8.898 3.490 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.850 -7.942 2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.933 -7.841 4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.648 -5.696 2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.717 -5.788 5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.432 -3.642 3.744 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.467 -3.684 5.130 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.621 -7.860 0.503 1.00 0.00 N ATOM 1312 CA ARG A 84 -17.278 -6.887 -0.355 1.00 0.00 C ATOM 1313 C ARG A 84 -17.671 -5.670 0.471 1.00 0.00 C ATOM 1314 O ARG A 84 -18.615 -5.725 1.260 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.516 -7.501 -1.014 1.00 0.00 C ATOM 1316 CG ARG A 84 -19.212 -6.567 -1.992 1.00 0.00 C ATOM 1317 CD ARG A 84 -20.473 -7.195 -2.566 1.00 0.00 C ATOM 1318 NE ARG A 84 -20.192 -8.443 -3.271 1.00 0.00 N ATOM 1319 CZ ARG A 84 -21.101 -9.115 -3.971 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -22.344 -8.660 -4.064 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -20.768 -10.244 -4.582 1.00 0.00 N ATOM 0 H ARG A 84 -17.213 -8.637 0.795 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.588 -6.583 -1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.224 -8.411 -1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.223 -7.793 -0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.466 -5.635 -1.487 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.529 -6.314 -2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -21.182 -7.386 -1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -20.949 -6.492 -3.250 1.00 0.00 H new ATOM 0 HE ARG A 84 -19.245 -8.820 -3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -22.605 -7.791 -3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -23.038 -9.179 -4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -19.814 -10.598 -4.515 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -21.466 -10.759 -5.119 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.946 -4.571 0.292 1.00 0.00 N ATOM 1336 CA GLY A 85 -17.245 -3.373 1.058 1.00 0.00 C ATOM 1337 C GLY A 85 -16.759 -2.097 0.400 1.00 0.00 C ATOM 1338 O GLY A 85 -15.706 -2.078 -0.236 1.00 0.00 O ATOM 0 H GLY A 85 -16.167 -4.487 -0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.323 -3.307 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.790 -3.459 2.045 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.537 -1.029 0.557 1.00 0.00 N ATOM 1343 CA GLU A 86 -17.184 0.267 -0.009 1.00 0.00 C ATOM 1344 C GLU A 86 -16.184 0.979 0.894 1.00 0.00 C ATOM 1345 O GLU A 86 -16.531 1.427 1.987 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.433 1.133 -0.187 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.485 0.506 -1.088 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.702 1.393 -1.264 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -21.647 1.273 -0.455 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -20.711 2.208 -2.211 1.00 0.00 O ATOM 0 H GLU A 86 -18.417 -1.037 1.073 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.729 0.104 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.873 1.327 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.140 2.098 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.046 0.299 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.795 -0.451 -0.668 1.00 0.00 H new ATOM 1357 N LEU A 87 -14.943 1.078 0.433 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.894 1.726 1.213 1.00 0.00 C ATOM 1359 C LEU A 87 -13.361 2.964 0.499 1.00 0.00 C ATOM 1360 O LEU A 87 -13.451 3.077 -0.723 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.753 0.741 1.478 1.00 0.00 C ATOM 1362 CG LEU A 87 -11.870 1.077 2.681 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -12.688 1.068 3.964 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -10.713 0.095 2.780 1.00 0.00 C ATOM 0 H LEU A 87 -14.639 0.720 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.325 2.042 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.178 -0.252 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.124 0.690 0.589 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.463 2.078 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.043 1.309 4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.485 1.809 3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.124 0.080 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.094 0.348 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.103 -0.916 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.112 0.149 1.873 1.00 0.00 H new ATOM 1376 N SER A 88 -12.803 3.892 1.274 1.00 0.00 N ATOM 1377 CA SER A 88 -12.254 5.124 0.720 1.00 0.00 C ATOM 1378 C SER A 88 -10.900 4.869 0.067 1.00 0.00 C ATOM 1379 O SER A 88 -10.216 3.903 0.397 1.00 0.00 O ATOM 1380 CB SER A 88 -12.111 6.182 1.817 1.00 0.00 C ATOM 1381 OG SER A 88 -13.361 6.458 2.425 1.00 0.00 O ATOM 0 H SER A 88 -12.720 3.812 2.287 1.00 0.00 H new ATOM 0 HA SER A 88 -12.943 5.490 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.405 5.835 2.571 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.700 7.098 1.392 1.00 0.00 H new ATOM 0 HG SER A 88 -13.243 7.135 3.123 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.522 5.743 -0.861 1.00 0.00 N ATOM 1388 CA ALA A 89 -9.248 5.614 -1.562 1.00 0.00 C ATOM 1389 C ALA A 89 -8.080 5.609 -0.583 1.00 0.00 C ATOM 1390 O ALA A 89 -7.008 5.083 -0.881 1.00 0.00 O ATOM 1391 CB ALA A 89 -9.087 6.739 -2.571 1.00 0.00 C ATOM 0 H ALA A 89 -11.080 6.548 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.248 4.661 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.133 6.631 -3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.899 6.696 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.113 7.698 -2.054 1.00 0.00 H new ATOM 1397 N ASP A 90 -8.296 6.198 0.589 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.263 6.264 1.613 1.00 0.00 C ATOM 1399 C ASP A 90 -7.106 4.918 2.309 1.00 0.00 C ATOM 1400 O ASP A 90 -6.022 4.339 2.318 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.600 7.348 2.638 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.540 7.474 3.716 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -6.645 6.765 4.739 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -5.604 8.281 3.536 1.00 0.00 O ATOM 0 H ASP A 90 -9.179 6.636 0.852 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.319 6.515 1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.711 8.305 2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.560 7.120 3.101 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.197 4.422 2.880 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.179 3.145 3.584 1.00 0.00 C ATOM 1411 C ALA A 91 -8.012 1.981 2.614 1.00 0.00 C ATOM 1412 O ALA A 91 -7.742 0.853 3.028 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.448 2.973 4.404 1.00 0.00 C ATOM 0 H ALA A 91 -9.106 4.885 2.869 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.322 3.146 4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.419 2.015 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.522 3.779 5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.315 3.001 3.744 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.173 2.256 1.324 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.037 1.228 0.300 1.00 0.00 C ATOM 1421 C ALA A 92 -6.600 1.158 -0.185 1.00 0.00 C ATOM 1422 O ALA A 92 -6.075 0.077 -0.453 1.00 0.00 O ATOM 1423 CB ALA A 92 -8.980 1.503 -0.861 1.00 0.00 C ATOM 0 H ALA A 92 -8.398 3.183 0.963 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.304 0.265 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.864 0.725 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.009 1.509 -0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.744 2.472 -1.300 1.00 0.00 H new ATOM 1429 N GLY A 93 -5.968 2.322 -0.299 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.588 2.371 -0.734 1.00 0.00 C ATOM 1431 C GLY A 93 -3.691 1.580 0.191 1.00 0.00 C ATOM 1432 O GLY A 93 -2.579 1.205 -0.178 1.00 0.00 O ATOM 0 H GLY A 93 -6.388 3.230 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.510 1.975 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.253 3.408 -0.770 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.185 1.327 1.400 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.435 0.565 2.389 1.00 0.00 C ATOM 1438 C ILE A 94 -3.357 -0.896 1.971 1.00 0.00 C ATOM 1439 O ILE A 94 -2.305 -1.528 2.058 1.00 0.00 O ATOM 1440 CB ILE A 94 -4.084 0.639 3.789 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.806 1.975 3.998 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -3.032 0.428 4.868 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.915 3.188 3.844 1.00 0.00 C ATOM 0 H ILE A 94 -5.103 1.640 1.717 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.439 1.004 2.443 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.827 -0.156 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.627 2.048 3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.247 1.986 4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.502 0.482 5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.571 -0.551 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.268 1.202 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.501 4.093 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.108 3.142 4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.494 3.205 2.839 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.488 -1.418 1.513 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.581 -2.801 1.071 1.00 0.00 C ATOM 1457 C VAL A 95 -3.913 -2.985 -0.287 1.00 0.00 C ATOM 1458 O VAL A 95 -3.530 -4.096 -0.657 1.00 0.00 O ATOM 1459 CB VAL A 95 -6.055 -3.249 0.977 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.154 -4.721 0.614 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.779 -2.967 2.284 1.00 0.00 C ATOM 0 H VAL A 95 -5.362 -0.897 1.438 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.065 -3.416 1.809 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.536 -2.676 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.203 -5.011 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.675 -4.891 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.655 -5.318 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.817 -3.289 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.294 -3.512 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.746 -1.898 2.495 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.767 -1.889 -1.027 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.147 -1.936 -2.347 1.00 0.00 C ATOM 1473 C ALA A 96 -1.631 -2.065 -2.244 1.00 0.00 C ATOM 1474 O ALA A 96 -1.028 -2.915 -2.900 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.519 -0.696 -3.145 1.00 0.00 C ATOM 0 H ALA A 96 -4.069 -0.959 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.523 -2.819 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.051 -0.742 -4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.602 -0.649 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.171 0.193 -2.619 1.00 0.00 H new ATOM 1481 N THR A 97 -1.019 -1.220 -1.420 1.00 0.00 N ATOM 1482 CA THR A 97 0.427 -1.249 -1.241 1.00 0.00 C ATOM 1483 C THR A 97 0.851 -2.488 -0.462 1.00 0.00 C ATOM 1484 O THR A 97 1.862 -3.116 -0.777 1.00 0.00 O ATOM 1485 CB THR A 97 0.939 0.013 -0.518 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.330 -0.128 -0.209 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.154 0.270 0.761 1.00 0.00 C ATOM 0 H THR A 97 -1.500 -0.510 -0.868 1.00 0.00 H new ATOM 0 HA THR A 97 0.870 -1.278 -2.236 1.00 0.00 H new ATOM 0 HB THR A 97 0.798 0.863 -1.185 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.647 0.679 0.249 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.537 1.166 1.249 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.899 0.411 0.519 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.261 -0.583 1.431 1.00 0.00 H new ATOM 1495 N LEU A 98 0.070 -2.836 0.558 1.00 0.00 N ATOM 1496 CA LEU A 98 0.358 -4.011 1.377 1.00 0.00 C ATOM 1497 C LEU A 98 0.400 -5.282 0.531 1.00 0.00 C ATOM 1498 O LEU A 98 1.352 -6.058 0.614 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.686 -4.159 2.487 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.449 -3.289 3.723 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.625 -3.394 4.681 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.843 -3.690 4.418 1.00 0.00 C ATOM 0 H LEU A 98 -0.766 -2.322 0.837 1.00 0.00 H new ATOM 0 HA LEU A 98 1.341 -3.867 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.667 -3.919 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.717 -5.203 2.798 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.358 -2.251 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.440 -2.769 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.533 -3.058 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.746 -4.430 4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.995 -3.060 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.781 -4.734 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.680 -3.564 3.731 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.635 -5.493 -0.281 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.708 -6.676 -1.135 1.00 0.00 C ATOM 1516 C PHE A 99 0.496 -6.756 -2.069 1.00 0.00 C ATOM 1517 O PHE A 99 0.988 -7.844 -2.370 1.00 0.00 O ATOM 1518 CB PHE A 99 -2.002 -6.667 -1.952 1.00 0.00 C ATOM 1519 CG PHE A 99 -3.079 -7.543 -1.377 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.931 -7.065 -0.395 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.237 -8.846 -1.822 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.922 -7.872 0.133 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.224 -9.658 -1.297 1.00 0.00 C ATOM 1524 CZ PHE A 99 -5.068 -9.170 -0.318 1.00 0.00 C ATOM 0 H PHE A 99 -1.432 -4.862 -0.365 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.700 -7.554 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.373 -5.644 -2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.783 -6.994 -2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.820 -6.052 -0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.581 -9.231 -2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.581 -7.488 0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.336 -10.672 -1.651 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.841 -9.802 0.094 1.00 0.00 H new ATOM 1534 N ALA A 100 0.964 -5.600 -2.523 1.00 0.00 N ATOM 1535 CA ALA A 100 2.111 -5.541 -3.419 1.00 0.00 C ATOM 1536 C ALA A 100 3.380 -6.001 -2.709 1.00 0.00 C ATOM 1537 O ALA A 100 4.214 -6.693 -3.291 1.00 0.00 O ATOM 1538 CB ALA A 100 2.286 -4.132 -3.961 1.00 0.00 C ATOM 0 H ALA A 100 0.567 -4.691 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 100 1.927 -6.216 -4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.147 -4.103 -4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.391 -3.840 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.446 -3.441 -3.133 1.00 0.00 H new ATOM 1544 N LEU A 101 3.519 -5.606 -1.446 1.00 0.00 N ATOM 1545 CA LEU A 101 4.684 -5.977 -0.649 1.00 0.00 C ATOM 1546 C LEU A 101 4.832 -7.492 -0.566 1.00 0.00 C ATOM 1547 O LEU A 101 5.938 -8.025 -0.667 1.00 0.00 O ATOM 1548 CB LEU A 101 4.567 -5.402 0.764 1.00 0.00 C ATOM 1549 CG LEU A 101 4.462 -3.878 0.849 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.256 -3.442 2.293 1.00 0.00 C ATOM 1551 CD2 LEU A 101 5.703 -3.221 0.265 1.00 0.00 C ATOM 0 H LEU A 101 2.838 -5.028 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 101 5.566 -5.564 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.689 -5.836 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.435 -5.722 1.340 1.00 0.00 H new ATOM 0 HG LEU A 101 3.600 -3.559 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.183 -2.355 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.337 -3.884 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.100 -3.774 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.608 -2.137 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.582 -3.545 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.809 -3.509 -0.781 1.00 0.00 H new ATOM 1563 N GLY A 102 3.710 -8.180 -0.380 1.00 0.00 N ATOM 1564 CA GLY A 102 3.732 -9.627 -0.273 1.00 0.00 C ATOM 1565 C GLY A 102 4.141 -10.315 -1.561 1.00 0.00 C ATOM 1566 O GLY A 102 4.773 -11.371 -1.530 1.00 0.00 O ATOM 0 H GLY A 102 2.784 -7.760 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.421 -9.916 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.743 -9.978 0.021 1.00 0.00 H new ATOM 1570 N GLN A 103 3.786 -9.721 -2.697 1.00 0.00 N ATOM 1571 CA GLN A 103 4.120 -10.303 -3.992 1.00 0.00 C ATOM 1572 C GLN A 103 5.591 -10.081 -4.333 1.00 0.00 C ATOM 1573 O GLN A 103 6.287 -11.013 -4.734 1.00 0.00 O ATOM 1574 CB GLN A 103 3.227 -9.717 -5.088 1.00 0.00 C ATOM 1575 CG GLN A 103 3.296 -10.483 -6.400 1.00 0.00 C ATOM 1576 CD GLN A 103 2.128 -10.179 -7.318 1.00 0.00 C ATOM 1577 OE1 GLN A 103 2.301 -9.197 -8.194 1.00 0.00 O flip ATOM 1578 NE2 GLN A 103 1.082 -10.825 -7.244 1.00 0.00 N flip ATOM 0 H GLN A 103 3.270 -8.842 -2.747 1.00 0.00 H new ATOM 0 HA GLN A 103 3.945 -11.377 -3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.195 -9.705 -4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.515 -8.681 -5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.227 -10.238 -6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.319 -11.552 -6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.992 -11.572 -6.555 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.306 -10.613 -7.871 1.00 0.00 H new ATOM 1587 N LEU A 104 6.059 -8.847 -4.172 1.00 0.00 N ATOM 1588 CA LEU A 104 7.451 -8.510 -4.464 1.00 0.00 C ATOM 1589 C LEU A 104 8.409 -9.307 -3.585 1.00 0.00 C ATOM 1590 O LEU A 104 9.401 -9.854 -4.069 1.00 0.00 O ATOM 1591 CB LEU A 104 7.692 -7.013 -4.258 1.00 0.00 C ATOM 1592 CG LEU A 104 6.985 -6.097 -5.258 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.107 -4.645 -4.828 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.555 -6.290 -6.655 1.00 0.00 C ATOM 0 H LEU A 104 5.496 -8.063 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 104 7.642 -8.768 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.369 -6.744 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.764 -6.823 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 104 5.928 -6.362 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.598 -4.007 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.651 -4.517 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.160 -4.368 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.040 -5.630 -7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.619 -6.053 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.416 -7.326 -6.965 1.00 0.00 H new ATOM 1606 N ALA A 105 8.107 -9.369 -2.292 1.00 0.00 N ATOM 1607 CA ALA A 105 8.943 -10.091 -1.341 1.00 0.00 C ATOM 1608 C ALA A 105 9.092 -11.557 -1.732 1.00 0.00 C ATOM 1609 O ALA A 105 10.146 -12.160 -1.530 1.00 0.00 O ATOM 1610 CB ALA A 105 8.355 -9.981 0.057 1.00 0.00 C ATOM 0 H ALA A 105 7.287 -8.926 -1.878 1.00 0.00 H new ATOM 0 HA ALA A 105 9.934 -9.638 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.986 -10.523 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.304 -8.932 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.352 -10.409 0.065 1.00 0.00 H new ATOM 1616 N ALA A 106 8.029 -12.125 -2.295 1.00 0.00 N ATOM 1617 CA ALA A 106 8.034 -13.524 -2.706 1.00 0.00 C ATOM 1618 C ALA A 106 8.387 -13.678 -4.181 1.00 0.00 C ATOM 1619 O ALA A 106 8.602 -14.791 -4.663 1.00 0.00 O ATOM 1620 CB ALA A 106 6.680 -14.152 -2.424 1.00 0.00 C ATOM 0 H ALA A 106 7.152 -11.636 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 106 8.801 -14.039 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.692 -15.197 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.466 -14.092 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.909 -13.618 -2.979 1.00 0.00 H new ATOM 1626 N GLU A 107 8.446 -12.561 -4.897 1.00 0.00 N ATOM 1627 CA GLU A 107 8.770 -12.581 -6.319 1.00 0.00 C ATOM 1628 C GLU A 107 10.272 -12.739 -6.533 1.00 0.00 C ATOM 1629 O GLU A 107 10.709 -13.416 -7.463 1.00 0.00 O ATOM 1630 CB GLU A 107 8.280 -11.298 -6.995 1.00 0.00 C ATOM 1631 CG GLU A 107 8.541 -11.257 -8.492 1.00 0.00 C ATOM 1632 CD GLU A 107 8.040 -9.980 -9.137 1.00 0.00 C ATOM 1633 OE1 GLU A 107 8.810 -8.997 -9.184 1.00 0.00 O ATOM 1634 OE2 GLU A 107 6.879 -9.962 -9.595 1.00 0.00 O ATOM 0 H GLU A 107 8.274 -11.630 -4.517 1.00 0.00 H new ATOM 0 HA GLU A 107 8.264 -13.436 -6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.210 -11.191 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.767 -10.443 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.611 -11.355 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.058 -12.112 -8.965 1.00 0.00 H new ATOM 1750 N LEU A 117 12.593 -6.155 2.899 1.00 0.00 N ATOM 1751 CA LEU A 117 11.436 -5.330 2.572 1.00 0.00 C ATOM 1752 C LEU A 117 10.210 -5.796 3.351 1.00 0.00 C ATOM 1753 O LEU A 117 9.227 -5.067 3.477 1.00 0.00 O ATOM 1754 CB LEU A 117 11.174 -5.339 1.051 1.00 0.00 C ATOM 1755 CG LEU A 117 10.326 -6.491 0.491 1.00 0.00 C ATOM 1756 CD1 LEU A 117 10.783 -7.833 1.049 1.00 0.00 C ATOM 1757 CD2 LEU A 117 8.845 -6.257 0.766 1.00 0.00 C ATOM 0 HA LEU A 117 11.647 -4.302 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.686 -4.401 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.138 -5.351 0.542 1.00 0.00 H new ATOM 0 HG LEU A 117 10.468 -6.518 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.164 -8.629 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.825 -8.004 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.687 -7.827 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.264 -7.085 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.681 -6.191 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.530 -5.327 0.293 1.00 0.00 H new ATOM 1769 N ILE A 118 10.275 -7.017 3.876 1.00 0.00 N ATOM 1770 CA ILE A 118 9.175 -7.575 4.650 1.00 0.00 C ATOM 1771 C ILE A 118 8.822 -6.648 5.807 1.00 0.00 C ATOM 1772 O ILE A 118 7.674 -6.589 6.250 1.00 0.00 O ATOM 1773 CB ILE A 118 9.530 -8.979 5.190 1.00 0.00 C ATOM 1774 CG1 ILE A 118 9.321 -10.035 4.101 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.706 -9.313 6.427 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.897 -10.115 3.590 1.00 0.00 C ATOM 0 H ILE A 118 11.079 -7.637 3.778 1.00 0.00 H new ATOM 0 HA ILE A 118 8.313 -7.670 3.990 1.00 0.00 H new ATOM 0 HB ILE A 118 10.581 -8.978 5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.985 -9.817 3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.611 -11.010 4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.976 -10.306 6.786 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.906 -8.578 7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.646 -9.294 6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.829 -10.885 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.228 -10.364 4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.608 -9.153 3.166 1.00 0.00 H new ATOM 1788 N ASP A 119 9.824 -5.919 6.278 1.00 0.00 N ATOM 1789 CA ASP A 119 9.646 -4.981 7.374 1.00 0.00 C ATOM 1790 C ASP A 119 8.554 -3.966 7.058 1.00 0.00 C ATOM 1791 O ASP A 119 7.685 -3.696 7.886 1.00 0.00 O ATOM 1792 CB ASP A 119 10.959 -4.253 7.648 1.00 0.00 C ATOM 1793 CG ASP A 119 11.793 -4.938 8.713 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.594 -5.828 8.359 1.00 0.00 O ATOM 1795 OD2 ASP A 119 11.645 -4.584 9.901 1.00 0.00 O ATOM 0 H ASP A 119 10.776 -5.961 5.914 1.00 0.00 H new ATOM 0 HA ASP A 119 9.345 -5.544 8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.535 -4.190 6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.745 -3.231 7.960 1.00 0.00 H new ATOM 1800 N ARG A 120 8.608 -3.408 5.853 1.00 0.00 N ATOM 1801 CA ARG A 120 7.634 -2.408 5.424 1.00 0.00 C ATOM 1802 C ARG A 120 6.210 -2.904 5.636 1.00 0.00 C ATOM 1803 O ARG A 120 5.334 -2.141 6.034 1.00 0.00 O ATOM 1804 CB ARG A 120 7.828 -2.043 3.943 1.00 0.00 C ATOM 1805 CG ARG A 120 9.263 -2.134 3.439 1.00 0.00 C ATOM 1806 CD ARG A 120 10.247 -1.469 4.385 1.00 0.00 C ATOM 1807 NE ARG A 120 11.541 -1.229 3.753 1.00 0.00 N ATOM 1808 CZ ARG A 120 12.501 -0.485 4.296 1.00 0.00 C ATOM 1809 NH1 ARG A 120 12.312 0.089 5.477 1.00 0.00 N ATOM 1810 NH2 ARG A 120 13.650 -0.313 3.657 1.00 0.00 N ATOM 0 H ARG A 120 9.317 -3.631 5.154 1.00 0.00 H new ATOM 0 HA ARG A 120 7.797 -1.519 6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.204 -2.701 3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.467 -1.027 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.536 -3.182 3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.332 -1.665 2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.832 -0.522 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.385 -2.098 5.265 1.00 0.00 H new ATOM 0 HE ARG A 120 11.719 -1.656 2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 120 11.429 -0.040 5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.050 0.659 5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 120 13.799 -0.751 2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.385 0.258 4.074 1.00 0.00 H new ATOM 1824 N TYR A 121 5.986 -4.185 5.367 1.00 0.00 N ATOM 1825 CA TYR A 121 4.662 -4.772 5.525 1.00 0.00 C ATOM 1826 C TYR A 121 4.299 -4.917 6.999 1.00 0.00 C ATOM 1827 O TYR A 121 3.256 -4.435 7.443 1.00 0.00 O ATOM 1828 CB TYR A 121 4.599 -6.139 4.838 1.00 0.00 C ATOM 1829 CG TYR A 121 3.209 -6.738 4.796 1.00 0.00 C ATOM 1830 CD1 TYR A 121 2.618 -7.260 5.941 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.486 -6.778 3.611 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.348 -7.805 5.904 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.217 -7.323 3.566 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.652 -7.833 4.715 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.612 -8.375 4.675 1.00 0.00 O ATOM 0 H TYR A 121 6.701 -4.834 5.040 1.00 0.00 H new ATOM 0 HA TYR A 121 3.941 -4.102 5.056 1.00 0.00 H new ATOM 0 HB2 TYR A 121 4.973 -6.041 3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.266 -6.827 5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.160 -7.239 6.875 1.00 0.00 H new ATOM 0 HD2 TYR A 121 2.923 -6.376 2.709 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.904 -8.207 6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.670 -7.349 2.635 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.964 -8.316 3.762 1.00 0.00 H new ATOM 1845 N HIS A 122 5.165 -5.586 7.749 1.00 0.00 N ATOM 1846 CA HIS A 122 4.939 -5.815 9.173 1.00 0.00 C ATOM 1847 C HIS A 122 4.652 -4.515 9.918 1.00 0.00 C ATOM 1848 O HIS A 122 3.936 -4.515 10.920 1.00 0.00 O ATOM 1849 CB HIS A 122 6.149 -6.517 9.793 1.00 0.00 C ATOM 1850 CG HIS A 122 6.252 -7.965 9.424 1.00 0.00 C ATOM 1851 ND1 HIS A 122 6.750 -8.926 10.279 1.00 0.00 N ATOM 1852 CD2 HIS A 122 5.919 -8.617 8.283 1.00 0.00 C ATOM 1853 CE1 HIS A 122 6.717 -10.104 9.681 1.00 0.00 C ATOM 1854 NE2 HIS A 122 6.218 -9.943 8.470 1.00 0.00 N ATOM 0 H HIS A 122 6.035 -5.982 7.394 1.00 0.00 H new ATOM 0 HA HIS A 122 4.060 -6.453 9.268 1.00 0.00 H new ATOM 0 HB2 HIS A 122 7.058 -6.004 9.478 1.00 0.00 H new ATOM 0 HB3 HIS A 122 6.094 -6.430 10.878 1.00 0.00 H new ATOM 0 HD2 HIS A 122 5.497 -8.175 7.393 1.00 0.00 H new ATOM 0 HE1 HIS A 122 7.043 -11.040 10.111 1.00 0.00 H new ATOM 0 HE2 HIS A 122 6.077 -10.684 7.784 1.00 0.00 H new ATOM 1863 N PHE A 123 5.207 -3.410 9.432 1.00 0.00 N ATOM 1864 CA PHE A 123 4.996 -2.116 10.070 1.00 0.00 C ATOM 1865 C PHE A 123 3.756 -1.427 9.506 1.00 0.00 C ATOM 1866 O PHE A 123 2.883 -0.992 10.257 1.00 0.00 O ATOM 1867 CB PHE A 123 6.227 -1.226 9.890 1.00 0.00 C ATOM 1868 CG PHE A 123 7.474 -1.774 10.528 1.00 0.00 C ATOM 1869 CD1 PHE A 123 7.429 -2.360 11.784 1.00 0.00 C ATOM 1870 CD2 PHE A 123 8.692 -1.696 9.873 1.00 0.00 C ATOM 1871 CE1 PHE A 123 8.576 -2.860 12.371 1.00 0.00 C ATOM 1872 CE2 PHE A 123 9.842 -2.193 10.455 1.00 0.00 C ATOM 1873 CZ PHE A 123 9.784 -2.776 11.706 1.00 0.00 C ATOM 0 H PHE A 123 5.802 -3.384 8.604 1.00 0.00 H new ATOM 0 HA PHE A 123 4.838 -2.284 11.135 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.408 -1.084 8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.017 -0.243 10.311 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.488 -2.426 12.309 1.00 0.00 H new ATOM 0 HD2 PHE A 123 8.743 -1.241 8.895 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.528 -3.316 13.349 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.785 -2.126 9.933 1.00 0.00 H new ATOM 0 HZ PHE A 123 10.681 -3.165 12.163 1.00 0.00 H new ATOM 1883 N LEU A 124 3.691 -1.327 8.181 1.00 0.00 N ATOM 1884 CA LEU A 124 2.556 -0.700 7.508 1.00 0.00 C ATOM 1885 C LEU A 124 1.242 -1.275 8.025 1.00 0.00 C ATOM 1886 O LEU A 124 0.382 -0.542 8.512 1.00 0.00 O ATOM 1887 CB LEU A 124 2.664 -0.918 5.996 1.00 0.00 C ATOM 1888 CG LEU A 124 1.858 0.049 5.124 1.00 0.00 C ATOM 1889 CD1 LEU A 124 2.253 -0.109 3.663 1.00 0.00 C ATOM 1890 CD2 LEU A 124 0.363 -0.178 5.296 1.00 0.00 C ATOM 0 H LEU A 124 4.414 -1.673 7.550 1.00 0.00 H new ATOM 0 HA LEU A 124 2.572 0.369 7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.714 -0.845 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.342 -1.935 5.771 1.00 0.00 H new ATOM 0 HG LEU A 124 2.084 1.066 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.673 0.583 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.315 0.107 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.054 -1.131 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -0.186 0.522 4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.114 -1.199 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.089 -0.019 6.339 1.00 0.00 H new ATOM 1902 N ARG A 125 1.092 -2.591 7.897 1.00 0.00 N ATOM 1903 CA ARG A 125 -0.111 -3.276 8.356 1.00 0.00 C ATOM 1904 C ARG A 125 -0.481 -2.830 9.768 1.00 0.00 C ATOM 1905 O ARG A 125 -1.658 -2.677 10.094 1.00 0.00 O ATOM 1906 CB ARG A 125 0.096 -4.791 8.323 1.00 0.00 C ATOM 1907 CG ARG A 125 -1.076 -5.576 8.887 1.00 0.00 C ATOM 1908 CD ARG A 125 -0.902 -7.069 8.673 1.00 0.00 C ATOM 1909 NE ARG A 125 0.379 -7.551 9.183 1.00 0.00 N ATOM 1910 CZ ARG A 125 0.506 -8.281 10.287 1.00 0.00 C ATOM 1911 NH1 ARG A 125 -0.565 -8.603 11.001 1.00 0.00 N ATOM 1912 NH2 ARG A 125 1.705 -8.689 10.679 1.00 0.00 N ATOM 0 H ARG A 125 1.791 -3.205 7.478 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.929 -3.015 7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.270 -5.103 7.293 1.00 0.00 H new ATOM 0 HB3 ARG A 125 0.995 -5.039 8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.174 -5.369 9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.999 -5.245 8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.713 -7.603 9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.976 -7.293 7.609 1.00 0.00 H new ATOM 0 HE ARG A 125 1.224 -7.314 8.663 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.489 -8.290 10.703 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -0.464 -9.163 11.847 1.00 0.00 H new ATOM 0 HH21 ARG A 125 2.531 -8.443 10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 125 1.801 -9.249 11.526 1.00 0.00 H new ATOM 1926 N GLY A 126 0.535 -2.623 10.601 1.00 0.00 N ATOM 1927 CA GLY A 126 0.301 -2.192 11.966 1.00 0.00 C ATOM 1928 C GLY A 126 -0.250 -0.782 12.048 1.00 0.00 C ATOM 1929 O GLY A 126 -1.049 -0.473 12.931 1.00 0.00 O ATOM 0 H GLY A 126 1.517 -2.747 10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.397 -2.879 12.445 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.235 -2.246 12.525 1.00 0.00 H new ATOM 1933 N PHE A 127 0.176 0.079 11.126 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.285 1.462 11.104 1.00 0.00 C ATOM 1935 C PHE A 127 -1.782 1.533 10.819 1.00 0.00 C ATOM 1936 O PHE A 127 -2.497 2.356 11.392 1.00 0.00 O ATOM 1937 CB PHE A 127 0.481 2.263 10.047 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.060 3.649 9.832 1.00 0.00 C ATOM 1939 CD1 PHE A 127 0.222 4.665 10.730 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -0.855 3.933 8.732 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.277 5.939 10.535 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.356 5.205 8.531 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.066 6.210 9.435 1.00 0.00 C ATOM 0 H PHE A 127 0.838 -0.158 10.387 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.097 1.894 12.087 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.527 2.333 10.344 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.453 1.721 9.102 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.839 4.459 11.592 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.085 3.151 8.024 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.050 6.722 11.243 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.973 5.414 7.669 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.456 7.205 9.281 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.248 0.662 9.931 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.655 0.623 9.558 1.00 0.00 C ATOM 1955 C ALA A 128 -4.535 0.216 10.732 1.00 0.00 C ATOM 1956 O ALA A 128 -5.757 0.337 10.666 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.859 -0.333 8.395 1.00 0.00 C ATOM 0 H ALA A 128 -1.668 -0.029 9.455 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.949 1.628 9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.914 -0.355 8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.271 0.003 7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.538 -1.333 8.686 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.914 -0.260 11.807 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.656 -0.685 12.988 1.00 0.00 C ATOM 1965 C ALA A 129 -5.216 0.514 13.745 1.00 0.00 C ATOM 1966 O ALA A 129 -6.215 0.401 14.457 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.768 -1.519 13.898 1.00 0.00 C ATOM 0 H ALA A 129 -2.902 -0.361 11.884 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.495 -1.297 12.658 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.335 -1.829 14.775 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.422 -2.401 13.359 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.910 -0.925 14.212 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.566 1.662 13.588 1.00 0.00 N ATOM 1974 CA GLY A 130 -5.012 2.867 14.263 1.00 0.00 C ATOM 1975 C GLY A 130 -6.001 3.661 13.434 1.00 0.00 C ATOM 1976 O GLY A 130 -6.450 4.731 13.847 1.00 0.00 O ATOM 0 H GLY A 130 -3.737 1.780 13.005 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.472 2.598 15.214 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.149 3.493 14.492 1.00 0.00 H new ATOM 1980 N HIS A 131 -6.341 3.136 12.262 1.00 0.00 N ATOM 1981 CA HIS A 131 -7.283 3.801 11.369 1.00 0.00 C ATOM 1982 C HIS A 131 -8.717 3.656 11.877 1.00 0.00 C ATOM 1983 O HIS A 131 -9.057 2.663 12.521 1.00 0.00 O ATOM 1984 CB HIS A 131 -7.162 3.227 9.954 1.00 0.00 C ATOM 1985 CG HIS A 131 -6.286 4.043 9.054 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.773 5.030 8.223 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -4.947 4.014 8.856 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.772 5.573 7.553 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -4.654 4.974 7.919 1.00 0.00 N ATOM 0 H HIS A 131 -5.978 2.251 11.908 1.00 0.00 H new ATOM 0 HA HIS A 131 -7.038 4.863 11.345 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.765 2.214 10.014 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -8.156 3.155 9.513 1.00 0.00 H new ATOM 0 HD1 HIS A 131 -7.753 5.299 8.139 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -4.241 3.358 9.344 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.854 6.371 6.830 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.579 4.652 11.593 1.00 0.00 N ATOM 1999 CA PRO A 132 -10.982 4.637 12.029 1.00 0.00 C ATOM 2000 C PRO A 132 -11.787 3.527 11.362 1.00 0.00 C ATOM 2001 O PRO A 132 -12.923 3.253 11.746 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.508 6.009 11.603 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.607 6.437 10.497 1.00 0.00 C ATOM 2004 CD PRO A 132 -9.256 5.868 10.825 1.00 0.00 C ATOM 0 HA PRO A 132 -11.070 4.448 13.099 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.544 5.949 11.268 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -11.481 6.717 12.431 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -10.964 6.067 9.536 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -10.566 7.524 10.424 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -8.688 5.636 9.924 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.656 6.566 11.410 1.00 0.00 H new ATOM 2012 N GLU A 133 -11.188 2.895 10.361 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.842 1.811 9.639 1.00 0.00 C ATOM 2014 C GLU A 133 -10.922 0.600 9.555 1.00 0.00 C ATOM 2015 O GLU A 133 -11.092 -0.265 8.698 1.00 0.00 O ATOM 2016 CB GLU A 133 -12.250 2.270 8.239 1.00 0.00 C ATOM 2017 CG GLU A 133 -11.125 2.934 7.464 1.00 0.00 C ATOM 2018 CD GLU A 133 -11.625 4.025 6.537 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -12.212 3.691 5.487 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -11.433 5.215 6.864 1.00 0.00 O ATOM 0 H GLU A 133 -10.249 3.115 10.030 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.742 1.526 10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -12.610 1.410 7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -13.083 2.968 8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.406 3.358 8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -10.595 2.181 6.881 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.938 0.564 10.452 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.979 -0.534 10.512 1.00 0.00 C ATOM 2029 C ALA A 134 -9.660 -1.883 10.322 1.00 0.00 C ATOM 2030 O ALA A 134 -9.118 -2.773 9.669 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.239 -0.508 11.840 1.00 0.00 C ATOM 0 H ALA A 134 -9.785 1.290 11.152 1.00 0.00 H new ATOM 0 HA ALA A 134 -8.268 -0.400 9.697 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.526 -1.331 11.875 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.707 0.438 11.942 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -8.953 -0.612 12.657 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.849 -2.026 10.897 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.604 -3.267 10.794 1.00 0.00 C ATOM 2039 C ALA A 135 -11.695 -3.745 9.348 1.00 0.00 C ATOM 2040 O ALA A 135 -11.522 -4.930 9.066 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.997 -3.085 11.378 1.00 0.00 C ATOM 0 H ALA A 135 -11.310 -1.296 11.440 1.00 0.00 H new ATOM 0 HA ALA A 135 -11.075 -4.030 11.365 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.551 -4.020 11.295 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.917 -2.802 12.428 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.522 -2.302 10.830 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.969 -2.819 8.437 1.00 0.00 N ATOM 2048 CA ALA A 136 -12.089 -3.150 7.022 1.00 0.00 C ATOM 2049 C ALA A 136 -10.725 -3.367 6.372 1.00 0.00 C ATOM 2050 O ALA A 136 -10.557 -4.265 5.548 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.851 -2.055 6.291 1.00 0.00 C ATOM 0 H ALA A 136 -12.112 -1.832 8.653 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.642 -4.086 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -12.935 -2.313 5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.848 -1.957 6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.317 -1.110 6.393 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.755 -2.539 6.743 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.410 -2.629 6.182 1.00 0.00 C ATOM 2059 C ILE A 137 -7.719 -3.957 6.499 1.00 0.00 C ATOM 2060 O ILE A 137 -7.287 -4.665 5.590 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.526 -1.474 6.685 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -8.137 -0.128 6.290 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -6.115 -1.608 6.129 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.423 1.063 6.890 1.00 0.00 C ATOM 0 H ILE A 137 -9.874 -1.796 7.431 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.533 -2.563 5.101 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.472 -1.521 7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -8.125 -0.038 5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -9.182 -0.108 6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.501 -0.784 6.493 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.684 -2.554 6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -6.149 -1.581 5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.912 1.982 6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.457 0.998 7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.384 1.069 6.560 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.616 -4.295 7.783 1.00 0.00 N ATOM 2077 CA TYR A 138 -6.945 -5.529 8.191 1.00 0.00 C ATOM 2078 C TYR A 138 -7.671 -6.761 7.663 1.00 0.00 C ATOM 2079 O TYR A 138 -7.041 -7.766 7.335 1.00 0.00 O ATOM 2080 CB TYR A 138 -6.811 -5.591 9.718 1.00 0.00 C ATOM 2081 CG TYR A 138 -7.937 -6.318 10.420 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.096 -5.650 10.790 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -7.837 -7.671 10.718 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.125 -6.310 11.435 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -8.860 -8.339 11.363 1.00 0.00 C ATOM 2086 CZ TYR A 138 -10.002 -7.654 11.720 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.023 -8.314 12.363 1.00 0.00 O ATOM 0 H TYR A 138 -7.985 -3.738 8.553 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.946 -5.523 7.755 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -5.869 -6.080 9.967 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.755 -4.574 10.106 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.195 -4.597 10.570 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.943 -8.210 10.441 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.021 -5.776 11.715 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.766 -9.391 11.586 1.00 0.00 H new ATOM 0 HH TYR A 138 -10.778 -9.255 12.487 1.00 0.00 H new ATOM 2097 N ARG A 139 -8.995 -6.686 7.585 1.00 0.00 N ATOM 2098 CA ARG A 139 -9.779 -7.806 7.084 1.00 0.00 C ATOM 2099 C ARG A 139 -9.635 -7.899 5.571 1.00 0.00 C ATOM 2100 O ARG A 139 -9.732 -8.980 4.991 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.252 -7.661 7.478 1.00 0.00 C ATOM 2102 CG ARG A 139 -12.015 -6.634 6.657 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.435 -6.459 7.172 1.00 0.00 C ATOM 2104 NE ARG A 139 -14.146 -7.730 7.261 1.00 0.00 N ATOM 2105 CZ ARG A 139 -15.393 -7.849 7.708 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -16.071 -6.776 8.093 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -15.966 -9.044 7.767 1.00 0.00 N ATOM 0 H ARG A 139 -9.542 -5.870 7.859 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.403 -8.725 7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -11.742 -8.629 7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.310 -7.385 8.531 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.493 -5.678 6.691 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -12.040 -6.946 5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.408 -5.989 8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -13.980 -5.785 6.511 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.659 -8.575 6.963 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.636 -5.854 8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -17.027 -6.872 8.435 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.450 -9.872 7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -16.922 -9.135 8.110 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.395 -6.752 4.944 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.216 -6.689 3.500 1.00 0.00 C ATOM 2123 C ALA A 140 -7.912 -7.362 3.092 1.00 0.00 C ATOM 2124 O ALA A 140 -7.830 -7.991 2.036 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.241 -5.245 3.024 1.00 0.00 C ATOM 0 H ALA A 140 -9.320 -5.851 5.416 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.040 -7.223 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.106 -5.216 1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.199 -4.793 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.436 -4.689 3.505 1.00 0.00 H new ATOM 2131 N ILE A 141 -6.894 -7.226 3.937 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.594 -7.827 3.669 1.00 0.00 C ATOM 2133 C ILE A 141 -5.509 -9.224 4.273 1.00 0.00 C ATOM 2134 O ILE A 141 -4.568 -9.972 4.005 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.442 -6.958 4.222 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.561 -6.799 5.740 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.435 -5.596 3.544 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.799 -7.846 6.525 1.00 0.00 C ATOM 0 H ILE A 141 -6.946 -6.705 4.812 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.489 -7.894 2.586 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.499 -7.461 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -4.198 -5.811 6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -5.614 -6.843 6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.618 -4.995 3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.299 -5.725 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.383 -5.091 3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.931 -7.668 7.592 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -4.177 -8.837 6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -2.739 -7.788 6.276 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.498 -9.562 5.095 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.552 -10.869 5.742 1.00 0.00 C ATOM 2152 C ASP A 142 -6.397 -11.992 4.720 1.00 0.00 C ATOM 2153 O ASP A 142 -5.269 -12.508 4.575 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.873 -11.034 6.498 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.999 -12.393 7.155 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -8.481 -13.333 6.488 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -7.616 -12.519 8.336 1.00 0.00 O ATOM 2158 OXT ASP A 142 -7.405 -12.345 4.071 1.00 0.00 O ATOM 0 H ASP A 142 -7.276 -8.946 5.330 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.725 -10.928 6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -7.952 -10.257 7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.704 -10.889 5.807 1.00 0.00 H new