USER MOD reduce.3.24.130724 H: found=0, std=0, add=1020, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 CYS SG : rot 78:sc= 2.09 USER MOD Set 1.2: A 99 CYS SG : rot -50:sc= 2.29 USER MOD Set 1.3: A 101 SER OG : rot -109:sc= 0.228 USER MOD Set 1.4: A 145 CYS SG : rot -57:sc= -0.0369 USER MOD Set 1.5: A 147 SER OG : rot 139:sc= 1.18 USER MOD Set 2.1: A 95 THR OG1 : rot 180:sc= 0.00715 USER MOD Set 2.2: A 149 HIS :FLIP no HD1:sc= -1.27 F(o=-1.8!,f=-1.3) USER MOD Set 3.1: A 80 GLN : amide:sc= 0.0191 X(o=0.036,f=0.062) USER MOD Set 3.2: A 178 THR OG1 : rot 120:sc= 0.0168 USER MOD Set 4.1: A 73 GLN : amide:sc= -0.672 K(o=-1.2,f=-7.6!) USER MOD Set 4.2: A 76 THR OG1 : rot -101:sc= -0.52 USER MOD Set 5.1: A 72 THR OG1 : rot -33:sc= 0.514 USER MOD Set 5.2: A 86 GLN : amide:sc= -0.0775 K(o=0.44,f=-0.86!) USER MOD Set 6.1: A 37 SER OG : rot 37:sc= 1.23 USER MOD Set 6.2: A 42 SER OG : rot 11:sc= 1.23 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 38 THR OG1 : rot 130:sc= -0.254 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00984 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 46 THR OG1 : rot 100:sc= -0.657 USER MOD Single : A 47 CYS SG : rot 108:sc= 0.812 USER MOD Single : A 49 ASN :FLIP amide:sc= 0.29 F(o=-0.35,f=0.29) USER MOD Single : A 52 CYS SG : rot 180:sc= -3.07! USER MOD Single : A 54 THR OG1 : rot 170:sc= -0.112 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -8.07! C(o=-8.1!,f=-9.1!) USER MOD Single : A 74 MET CE :methyl -147:sc= -8.23! (180deg=-10.3!) USER MOD Single : A 75 TYR OH : rot -39:sc= 0.294 USER MOD Single : A 77 ASN : amide:sc= -1.91 K(o=-1.9,f=-15!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc=-0.00471 X(o=-0.0047,f=-0.0047) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.81 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 95:sc= 0.687 USER MOD Single : A 139 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 159 CYS SG : rot 17:sc= -2.56! USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 SER OG : rot 180:sc= 0 USER MOD Single : A 175 MET CE :methyl -166:sc= -10.3! (180deg=-10.9!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 149 N GLU A 32 110.411 10.736 -0.351 1.00 0.00 N ATOM 150 CA GLU A 32 111.163 9.800 -1.243 1.00 0.00 C ATOM 151 C GLU A 32 111.250 8.403 -0.615 1.00 0.00 C ATOM 152 O GLU A 32 111.350 7.410 -1.311 1.00 0.00 O ATOM 153 CB GLU A 32 112.559 10.418 -1.390 1.00 0.00 C ATOM 154 CG GLU A 32 113.226 10.553 -0.015 1.00 0.00 C ATOM 155 CD GLU A 32 114.699 10.929 -0.187 1.00 0.00 C ATOM 156 OE1 GLU A 32 115.229 11.585 0.695 1.00 0.00 O ATOM 157 OE2 GLU A 32 115.277 10.552 -1.194 1.00 0.00 O ATOM 0 HA GLU A 32 110.671 9.675 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 32 113.173 9.796 -2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 32 112.483 11.397 -1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 32 112.714 11.313 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 32 113.143 9.615 0.533 1.00 0.00 H new ATOM 164 N VAL A 33 111.218 8.320 0.692 1.00 0.00 N ATOM 165 CA VAL A 33 111.304 6.989 1.367 1.00 0.00 C ATOM 166 C VAL A 33 110.131 6.807 2.335 1.00 0.00 C ATOM 167 O VAL A 33 109.732 7.728 3.022 1.00 0.00 O ATOM 168 CB VAL A 33 112.637 7.009 2.128 1.00 0.00 C ATOM 169 CG1 VAL A 33 112.838 5.671 2.847 1.00 0.00 C ATOM 170 CG2 VAL A 33 113.799 7.243 1.146 1.00 0.00 C ATOM 0 H VAL A 33 111.136 9.118 1.321 1.00 0.00 H new ATOM 0 HA VAL A 33 111.257 6.164 0.656 1.00 0.00 H new ATOM 0 HB VAL A 33 112.617 7.817 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 33 113.785 5.687 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 33 112.022 5.510 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.851 4.863 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 33 114.741 7.256 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.819 6.441 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 33 113.661 8.198 0.640 1.00 0.00 H new ATOM 180 N GLN A 34 109.581 5.620 2.393 1.00 0.00 N ATOM 181 CA GLN A 34 108.437 5.359 3.316 1.00 0.00 C ATOM 182 C GLN A 34 108.903 4.511 4.503 1.00 0.00 C ATOM 183 O GLN A 34 109.926 3.853 4.440 1.00 0.00 O ATOM 184 CB GLN A 34 107.414 4.595 2.473 1.00 0.00 C ATOM 185 CG GLN A 34 106.808 5.537 1.429 1.00 0.00 C ATOM 186 CD GLN A 34 105.786 4.774 0.584 1.00 0.00 C ATOM 187 OE1 GLN A 34 105.034 3.970 1.099 1.00 0.00 O ATOM 188 NE2 GLN A 34 105.724 4.995 -0.701 1.00 0.00 N ATOM 0 H GLN A 34 109.878 4.818 1.838 1.00 0.00 H new ATOM 0 HA GLN A 34 108.017 6.277 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 34 107.892 3.748 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.629 4.190 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 34 106.329 6.383 1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 34 107.593 5.943 0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 34 106.355 5.670 -1.133 1.00 0.00 H new ATOM 0 HE22 GLN A 34 105.045 4.493 -1.273 1.00 0.00 H new ATOM 197 N VAL A 35 108.166 4.528 5.586 1.00 0.00 N ATOM 198 CA VAL A 35 108.568 3.728 6.784 1.00 0.00 C ATOM 199 C VAL A 35 107.640 2.517 6.949 1.00 0.00 C ATOM 200 O VAL A 35 106.447 2.661 7.142 1.00 0.00 O ATOM 201 CB VAL A 35 108.419 4.689 7.970 1.00 0.00 C ATOM 202 CG1 VAL A 35 108.808 3.975 9.269 1.00 0.00 C ATOM 203 CG2 VAL A 35 109.333 5.900 7.767 1.00 0.00 C ATOM 0 H VAL A 35 107.303 5.061 5.692 1.00 0.00 H new ATOM 0 HA VAL A 35 109.583 3.339 6.701 1.00 0.00 H new ATOM 0 HB VAL A 35 107.382 5.019 8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 35 108.700 4.662 10.108 1.00 0.00 H new ATOM 0 HG12 VAL A 35 108.157 3.114 9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 35 109.843 3.641 9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 35 109.226 6.582 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.369 5.567 7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 35 109.056 6.415 6.847 1.00 0.00 H new ATOM 213 N VAL A 36 108.183 1.326 6.879 1.00 0.00 N ATOM 214 CA VAL A 36 107.342 0.100 7.037 1.00 0.00 C ATOM 215 C VAL A 36 107.844 -0.736 8.219 1.00 0.00 C ATOM 216 O VAL A 36 109.028 -0.972 8.365 1.00 0.00 O ATOM 217 CB VAL A 36 107.495 -0.670 5.719 1.00 0.00 C ATOM 218 CG1 VAL A 36 106.676 -1.964 5.776 1.00 0.00 C ATOM 219 CG2 VAL A 36 106.988 0.194 4.561 1.00 0.00 C ATOM 0 H VAL A 36 109.175 1.150 6.719 1.00 0.00 H new ATOM 0 HA VAL A 36 106.298 0.340 7.241 1.00 0.00 H new ATOM 0 HB VAL A 36 108.547 -0.912 5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 36 106.788 -2.507 4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 36 107.032 -2.584 6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 36 105.625 -1.723 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 36 107.097 -0.353 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 36 105.937 0.436 4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 36 107.569 1.115 4.513 1.00 0.00 H new ATOM 229 N SER A 37 106.947 -1.186 9.057 1.00 0.00 N ATOM 230 CA SER A 37 107.354 -2.014 10.230 1.00 0.00 C ATOM 231 C SER A 37 106.492 -3.277 10.296 1.00 0.00 C ATOM 232 O SER A 37 105.289 -3.226 10.126 1.00 0.00 O ATOM 233 CB SER A 37 107.101 -1.130 11.449 1.00 0.00 C ATOM 234 OG SER A 37 107.592 -1.782 12.613 1.00 0.00 O ATOM 0 H SER A 37 105.945 -1.014 8.978 1.00 0.00 H new ATOM 0 HA SER A 37 108.394 -2.334 10.172 1.00 0.00 H new ATOM 0 HB2 SER A 37 107.595 -0.167 11.322 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.034 -0.930 11.553 1.00 0.00 H new ATOM 0 HG SER A 37 108.420 -2.259 12.396 1.00 0.00 H new ATOM 240 N THR A 38 107.101 -4.409 10.541 1.00 0.00 N ATOM 241 CA THR A 38 106.323 -5.683 10.616 1.00 0.00 C ATOM 242 C THR A 38 106.285 -6.195 12.054 1.00 0.00 C ATOM 243 O THR A 38 106.916 -5.644 12.936 1.00 0.00 O ATOM 244 CB THR A 38 107.054 -6.676 9.702 1.00 0.00 C ATOM 245 OG1 THR A 38 107.643 -5.984 8.608 1.00 0.00 O ATOM 246 CG2 THR A 38 106.058 -7.708 9.172 1.00 0.00 C ATOM 0 H THR A 38 108.105 -4.506 10.693 1.00 0.00 H new ATOM 0 HA THR A 38 105.289 -5.545 10.301 1.00 0.00 H new ATOM 0 HB THR A 38 107.836 -7.178 10.272 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.583 -6.247 8.523 1.00 0.00 H new ATOM 0 HG21 THR A 38 106.576 -8.414 8.523 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.611 -8.245 10.008 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.276 -7.202 8.606 1.00 0.00 H new ATOM 254 N ALA A 39 105.530 -7.235 12.295 1.00 0.00 N ATOM 255 CA ALA A 39 105.422 -7.780 13.679 1.00 0.00 C ATOM 256 C ALA A 39 106.733 -8.446 14.117 1.00 0.00 C ATOM 257 O ALA A 39 107.101 -8.396 15.275 1.00 0.00 O ATOM 258 CB ALA A 39 104.291 -8.809 13.621 1.00 0.00 C ATOM 0 H ALA A 39 104.983 -7.731 11.591 1.00 0.00 H new ATOM 0 HA ALA A 39 105.222 -6.991 14.404 1.00 0.00 H new ATOM 0 HB1 ALA A 39 104.153 -9.254 14.606 1.00 0.00 H new ATOM 0 HB2 ALA A 39 103.368 -8.318 13.312 1.00 0.00 H new ATOM 0 HB3 ALA A 39 104.545 -9.589 12.903 1.00 0.00 H new ATOM 264 N THR A 40 107.432 -9.077 13.206 1.00 0.00 N ATOM 265 CA THR A 40 108.711 -9.757 13.580 1.00 0.00 C ATOM 266 C THR A 40 109.924 -8.935 13.129 1.00 0.00 C ATOM 267 O THR A 40 110.982 -9.004 13.728 1.00 0.00 O ATOM 268 CB THR A 40 108.671 -11.098 12.847 1.00 0.00 C ATOM 269 OG1 THR A 40 108.528 -10.869 11.452 1.00 0.00 O ATOM 270 CG2 THR A 40 107.489 -11.924 13.355 1.00 0.00 C ATOM 0 H THR A 40 107.173 -9.151 12.222 1.00 0.00 H new ATOM 0 HA THR A 40 108.806 -9.877 14.659 1.00 0.00 H new ATOM 0 HB THR A 40 109.597 -11.642 13.033 1.00 0.00 H new ATOM 0 HG1 THR A 40 108.504 -11.728 10.980 1.00 0.00 H new ATOM 0 HG21 THR A 40 107.461 -12.880 12.832 1.00 0.00 H new ATOM 0 HG22 THR A 40 107.601 -12.099 14.425 1.00 0.00 H new ATOM 0 HG23 THR A 40 106.561 -11.383 13.171 1.00 0.00 H new ATOM 278 N GLN A 41 109.783 -8.163 12.081 1.00 0.00 N ATOM 279 CA GLN A 41 110.933 -7.342 11.593 1.00 0.00 C ATOM 280 C GLN A 41 110.448 -5.982 11.088 1.00 0.00 C ATOM 281 O GLN A 41 109.267 -5.700 11.082 1.00 0.00 O ATOM 282 CB GLN A 41 111.543 -8.148 10.446 1.00 0.00 C ATOM 283 CG GLN A 41 112.232 -9.393 11.009 1.00 0.00 C ATOM 284 CD GLN A 41 112.848 -10.198 9.864 1.00 0.00 C ATOM 285 OE1 GLN A 41 113.403 -9.638 8.940 1.00 0.00 O ATOM 286 NE2 GLN A 41 112.770 -11.501 9.887 1.00 0.00 N ATOM 0 H GLN A 41 108.922 -8.066 11.543 1.00 0.00 H new ATOM 0 HA GLN A 41 111.655 -7.145 12.385 1.00 0.00 H new ATOM 0 HB2 GLN A 41 110.767 -8.438 9.738 1.00 0.00 H new ATOM 0 HB3 GLN A 41 112.262 -7.537 9.900 1.00 0.00 H new ATOM 0 HG2 GLN A 41 113.005 -9.103 11.721 1.00 0.00 H new ATOM 0 HG3 GLN A 41 111.512 -10.006 11.552 1.00 0.00 H new ATOM 0 HE21 GLN A 41 112.304 -11.970 10.663 1.00 0.00 H new ATOM 0 HE22 GLN A 41 113.175 -12.050 9.129 1.00 0.00 H new ATOM 295 N SER A 42 111.357 -5.143 10.665 1.00 0.00 N ATOM 296 CA SER A 42 110.963 -3.797 10.155 1.00 0.00 C ATOM 297 C SER A 42 111.940 -3.335 9.072 1.00 0.00 C ATOM 298 O SER A 42 113.126 -3.204 9.305 1.00 0.00 O ATOM 299 CB SER A 42 111.034 -2.876 11.372 1.00 0.00 C ATOM 300 OG SER A 42 109.921 -3.126 12.218 1.00 0.00 O ATOM 0 H SER A 42 112.359 -5.333 10.651 1.00 0.00 H new ATOM 0 HA SER A 42 109.970 -3.800 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 42 111.963 -3.045 11.916 1.00 0.00 H new ATOM 0 HB3 SER A 42 111.036 -1.834 11.053 1.00 0.00 H new ATOM 0 HG SER A 42 109.459 -3.938 11.920 1.00 0.00 H new ATOM 306 N PHE A 43 111.442 -3.085 7.892 1.00 0.00 N ATOM 307 CA PHE A 43 112.322 -2.624 6.772 1.00 0.00 C ATOM 308 C PHE A 43 111.749 -1.345 6.160 1.00 0.00 C ATOM 309 O PHE A 43 110.652 -0.931 6.488 1.00 0.00 O ATOM 310 CB PHE A 43 112.320 -3.753 5.727 1.00 0.00 C ATOM 311 CG PHE A 43 110.900 -4.164 5.402 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.258 -5.125 6.192 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.228 -3.583 4.322 1.00 0.00 C ATOM 314 CE1 PHE A 43 108.948 -5.506 5.905 1.00 0.00 C ATOM 315 CE2 PHE A 43 108.913 -3.966 4.033 1.00 0.00 C ATOM 316 CZ PHE A 43 108.274 -4.929 4.827 1.00 0.00 C ATOM 0 H PHE A 43 110.456 -3.180 7.651 1.00 0.00 H new ATOM 0 HA PHE A 43 113.332 -2.409 7.119 1.00 0.00 H new ATOM 0 HB2 PHE A 43 112.826 -3.420 4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 43 112.876 -4.610 6.106 1.00 0.00 H new ATOM 0 HD1 PHE A 43 110.779 -5.572 7.026 1.00 0.00 H new ATOM 0 HD2 PHE A 43 110.722 -2.841 3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 43 108.455 -6.247 6.516 1.00 0.00 H new ATOM 0 HE2 PHE A 43 108.391 -3.520 3.199 1.00 0.00 H new ATOM 0 HZ PHE A 43 107.259 -5.225 4.604 1.00 0.00 H new ATOM 326 N LEU A 44 112.475 -0.723 5.269 1.00 0.00 N ATOM 327 CA LEU A 44 111.969 0.526 4.628 1.00 0.00 C ATOM 328 C LEU A 44 111.895 0.342 3.111 1.00 0.00 C ATOM 329 O LEU A 44 112.614 -0.456 2.540 1.00 0.00 O ATOM 330 CB LEU A 44 112.984 1.620 4.990 1.00 0.00 C ATOM 331 CG LEU A 44 113.181 1.706 6.513 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.090 2.894 6.834 1.00 0.00 C ATOM 333 CD2 LEU A 44 111.828 1.897 7.222 1.00 0.00 C ATOM 0 H LEU A 44 113.398 -1.026 4.957 1.00 0.00 H new ATOM 0 HA LEU A 44 110.967 0.784 4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 44 113.938 1.410 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.639 2.581 4.609 1.00 0.00 H new ATOM 0 HG LEU A 44 113.634 0.779 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.234 2.961 7.912 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.055 2.756 6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 44 113.629 3.813 6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 44 111.987 1.956 8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.361 2.818 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.177 1.052 6.997 1.00 0.00 H new ATOM 345 N ALA A 45 111.029 1.074 2.458 1.00 0.00 N ATOM 346 CA ALA A 45 110.899 0.944 0.977 1.00 0.00 C ATOM 347 C ALA A 45 111.060 2.312 0.305 1.00 0.00 C ATOM 348 O ALA A 45 110.810 3.341 0.904 1.00 0.00 O ATOM 349 CB ALA A 45 109.489 0.400 0.749 1.00 0.00 C ATOM 0 H ALA A 45 110.406 1.757 2.888 1.00 0.00 H new ATOM 0 HA ALA A 45 111.663 0.292 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.315 0.276 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.386 -0.564 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 45 108.759 1.099 1.157 1.00 0.00 H new ATOM 355 N THR A 46 111.475 2.323 -0.936 1.00 0.00 N ATOM 356 CA THR A 46 111.654 3.615 -1.664 1.00 0.00 C ATOM 357 C THR A 46 110.928 3.559 -3.012 1.00 0.00 C ATOM 358 O THR A 46 110.882 2.527 -3.655 1.00 0.00 O ATOM 359 CB THR A 46 113.170 3.759 -1.865 1.00 0.00 C ATOM 360 OG1 THR A 46 113.436 4.957 -2.580 1.00 0.00 O ATOM 361 CG2 THR A 46 113.719 2.561 -2.654 1.00 0.00 C ATOM 0 H THR A 46 111.699 1.489 -1.479 1.00 0.00 H new ATOM 0 HA THR A 46 111.242 4.462 -1.115 1.00 0.00 H new ATOM 0 HB THR A 46 113.656 3.792 -0.890 1.00 0.00 H new ATOM 0 HG1 THR A 46 113.714 5.657 -1.953 1.00 0.00 H new ATOM 0 HG21 THR A 46 114.794 2.676 -2.789 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.519 1.641 -2.105 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.234 2.514 -3.629 1.00 0.00 H new ATOM 369 N CYS A 47 110.359 4.659 -3.441 1.00 0.00 N ATOM 370 CA CYS A 47 109.632 4.661 -4.749 1.00 0.00 C ATOM 371 C CYS A 47 110.552 5.143 -5.880 1.00 0.00 C ATOM 372 O CYS A 47 111.048 6.254 -5.871 1.00 0.00 O ATOM 373 CB CYS A 47 108.426 5.601 -4.567 1.00 0.00 C ATOM 374 SG CYS A 47 108.967 7.283 -4.155 1.00 0.00 S ATOM 0 H CYS A 47 110.366 5.551 -2.946 1.00 0.00 H new ATOM 0 HA CYS A 47 109.304 3.659 -5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 47 107.834 5.620 -5.482 1.00 0.00 H new ATOM 0 HB3 CYS A 47 107.779 5.220 -3.777 1.00 0.00 H new ATOM 0 HG CYS A 47 108.776 8.063 -5.177 1.00 0.00 H new ATOM 380 N VAL A 48 110.786 4.299 -6.852 1.00 0.00 N ATOM 381 CA VAL A 48 111.671 4.683 -7.993 1.00 0.00 C ATOM 382 C VAL A 48 110.974 4.365 -9.322 1.00 0.00 C ATOM 383 O VAL A 48 110.521 3.260 -9.545 1.00 0.00 O ATOM 384 CB VAL A 48 112.934 3.831 -7.825 1.00 0.00 C ATOM 385 CG1 VAL A 48 113.923 4.144 -8.950 1.00 0.00 C ATOM 386 CG2 VAL A 48 113.589 4.147 -6.476 1.00 0.00 C ATOM 0 H VAL A 48 110.400 3.356 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 48 111.903 5.748 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 48 112.662 2.776 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 48 114.819 3.536 -8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.462 3.920 -9.912 1.00 0.00 H new ATOM 0 HG13 VAL A 48 114.193 5.199 -8.914 1.00 0.00 H new ATOM 0 HG21 VAL A 48 114.487 3.541 -6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 48 113.856 5.203 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 48 112.890 3.922 -5.671 1.00 0.00 H new ATOM 396 N ASN A 49 110.890 5.330 -10.207 1.00 0.00 N ATOM 397 CA ASN A 49 110.225 5.102 -11.534 1.00 0.00 C ATOM 398 C ASN A 49 108.823 4.505 -11.351 1.00 0.00 C ATOM 399 O ASN A 49 108.403 3.646 -12.103 1.00 0.00 O ATOM 400 CB ASN A 49 111.134 4.118 -12.277 1.00 0.00 C ATOM 401 CG ASN A 49 110.834 4.177 -13.775 1.00 0.00 C ATOM 402 OD1 ASN A 49 111.593 4.902 -14.552 1.00 0.00 O flip ATOM 403 ND2 ASN A 49 109.901 3.557 -14.245 1.00 0.00 N flip ATOM 0 H ASN A 49 111.255 6.272 -10.068 1.00 0.00 H new ATOM 0 HA ASN A 49 110.095 6.035 -12.083 1.00 0.00 H new ATOM 0 HB2 ASN A 49 112.180 4.364 -12.095 1.00 0.00 H new ATOM 0 HB3 ASN A 49 110.975 3.107 -11.903 1.00 0.00 H new ATOM 0 HD21 ASN A 49 109.308 2.991 -13.639 1.00 0.00 H new ATOM 0 HD22 ASN A 49 109.711 3.603 -15.246 1.00 0.00 H new ATOM 410 N GLY A 50 108.101 4.959 -10.358 1.00 0.00 N ATOM 411 CA GLY A 50 106.724 4.428 -10.119 1.00 0.00 C ATOM 412 C GLY A 50 106.798 2.972 -9.644 1.00 0.00 C ATOM 413 O GLY A 50 105.859 2.214 -9.806 1.00 0.00 O ATOM 0 H GLY A 50 108.407 5.677 -9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 50 106.215 5.037 -9.372 1.00 0.00 H new ATOM 0 HA3 GLY A 50 106.137 4.491 -11.035 1.00 0.00 H new ATOM 417 N VAL A 51 107.900 2.577 -9.056 1.00 0.00 N ATOM 418 CA VAL A 51 108.034 1.170 -8.567 1.00 0.00 C ATOM 419 C VAL A 51 108.676 1.162 -7.176 1.00 0.00 C ATOM 420 O VAL A 51 109.820 1.541 -7.012 1.00 0.00 O ATOM 421 CB VAL A 51 108.940 0.474 -9.588 1.00 0.00 C ATOM 422 CG1 VAL A 51 109.142 -0.989 -9.184 1.00 0.00 C ATOM 423 CG2 VAL A 51 108.290 0.528 -10.973 1.00 0.00 C ATOM 0 H VAL A 51 108.714 3.170 -8.893 1.00 0.00 H new ATOM 0 HA VAL A 51 107.071 0.667 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 51 109.904 0.982 -9.616 1.00 0.00 H new ATOM 0 HG11 VAL A 51 109.787 -1.482 -9.912 1.00 0.00 H new ATOM 0 HG12 VAL A 51 109.606 -1.034 -8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 51 108.177 -1.495 -9.153 1.00 0.00 H new ATOM 0 HG21 VAL A 51 108.936 0.032 -11.698 1.00 0.00 H new ATOM 0 HG22 VAL A 51 107.325 0.022 -10.942 1.00 0.00 H new ATOM 0 HG23 VAL A 51 108.146 1.568 -11.267 1.00 0.00 H new ATOM 433 N CYS A 52 107.949 0.730 -6.179 1.00 0.00 N ATOM 434 CA CYS A 52 108.514 0.692 -4.795 1.00 0.00 C ATOM 435 C CYS A 52 109.447 -0.510 -4.645 1.00 0.00 C ATOM 436 O CYS A 52 109.025 -1.646 -4.748 1.00 0.00 O ATOM 437 CB CYS A 52 107.303 0.551 -3.872 1.00 0.00 C ATOM 438 SG CYS A 52 107.841 0.653 -2.147 1.00 0.00 S ATOM 0 H CYS A 52 106.987 0.401 -6.262 1.00 0.00 H new ATOM 0 HA CYS A 52 109.098 1.582 -4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 52 106.577 1.336 -4.084 1.00 0.00 H new ATOM 0 HB3 CYS A 52 106.804 -0.401 -4.052 1.00 0.00 H new ATOM 0 HG CYS A 52 106.810 0.535 -1.363 1.00 0.00 H new ATOM 444 N TRP A 53 110.713 -0.270 -4.408 1.00 0.00 N ATOM 445 CA TRP A 53 111.677 -1.402 -4.259 1.00 0.00 C ATOM 446 C TRP A 53 111.957 -1.679 -2.780 1.00 0.00 C ATOM 447 O TRP A 53 112.148 -0.773 -1.991 1.00 0.00 O ATOM 448 CB TRP A 53 112.953 -0.933 -4.957 1.00 0.00 C ATOM 449 CG TRP A 53 112.811 -1.101 -6.436 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.804 -0.090 -7.333 1.00 0.00 C ATOM 451 CD2 TRP A 53 112.661 -2.329 -7.205 1.00 0.00 C ATOM 452 NE1 TRP A 53 112.662 -0.616 -8.602 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.569 -1.992 -8.576 1.00 0.00 C ATOM 454 CE3 TRP A 53 112.597 -3.689 -6.850 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.419 -2.968 -9.561 1.00 0.00 C ATOM 456 CZ3 TRP A 53 112.447 -4.674 -7.841 1.00 0.00 C ATOM 457 CH2 TRP A 53 112.359 -4.313 -9.193 1.00 0.00 C ATOM 0 H TRP A 53 111.120 0.660 -4.311 1.00 0.00 H new ATOM 0 HA TRP A 53 111.287 -2.325 -4.687 1.00 0.00 H new ATOM 0 HB2 TRP A 53 113.147 0.113 -4.717 1.00 0.00 H new ATOM 0 HB3 TRP A 53 113.807 -1.506 -4.597 1.00 0.00 H new ATOM 0 HD1 TRP A 53 112.895 0.960 -7.096 1.00 0.00 H new ATOM 0 HE1 TRP A 53 112.630 -0.056 -9.454 1.00 0.00 H new ATOM 0 HE3 TRP A 53 112.663 -3.977 -5.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 112.350 -2.685 -10.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 112.399 -5.716 -7.559 1.00 0.00 H new ATOM 0 HH2 TRP A 53 112.245 -5.075 -9.949 1.00 0.00 H new ATOM 468 N THR A 54 111.993 -2.931 -2.408 1.00 0.00 N ATOM 469 CA THR A 54 112.272 -3.299 -0.989 1.00 0.00 C ATOM 470 C THR A 54 113.246 -4.481 -0.950 1.00 0.00 C ATOM 471 O THR A 54 113.570 -5.053 -1.973 1.00 0.00 O ATOM 472 CB THR A 54 110.911 -3.689 -0.397 1.00 0.00 C ATOM 473 OG1 THR A 54 111.079 -4.085 0.959 1.00 0.00 O ATOM 474 CG2 THR A 54 110.296 -4.846 -1.198 1.00 0.00 C ATOM 0 H THR A 54 111.839 -3.722 -3.033 1.00 0.00 H new ATOM 0 HA THR A 54 112.729 -2.486 -0.426 1.00 0.00 H new ATOM 0 HB THR A 54 110.243 -2.829 -0.448 1.00 0.00 H new ATOM 0 HG1 THR A 54 110.201 -4.178 1.384 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.331 -5.113 -0.768 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.159 -4.538 -2.235 1.00 0.00 H new ATOM 0 HG23 THR A 54 110.961 -5.709 -1.161 1.00 0.00 H new ATOM 482 N VAL A 55 113.705 -4.859 0.217 1.00 0.00 N ATOM 483 CA VAL A 55 114.643 -6.016 0.304 1.00 0.00 C ATOM 484 C VAL A 55 113.844 -7.324 0.296 1.00 0.00 C ATOM 485 O VAL A 55 112.761 -7.406 0.847 1.00 0.00 O ATOM 486 CB VAL A 55 115.401 -5.836 1.627 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.291 -7.063 1.897 1.00 0.00 C ATOM 488 CG2 VAL A 55 116.280 -4.579 1.542 1.00 0.00 C ATOM 0 H VAL A 55 113.472 -4.419 1.107 1.00 0.00 H new ATOM 0 HA VAL A 55 115.335 -6.057 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 55 114.682 -5.731 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 55 116.824 -6.926 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 55 115.670 -7.956 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 55 117.010 -7.177 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.820 -4.448 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 55 116.993 -4.688 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 55 115.652 -3.707 1.360 1.00 0.00 H new ATOM 498 N TYR A 56 114.372 -8.337 -0.335 1.00 0.00 N ATOM 499 CA TYR A 56 113.658 -9.643 -0.401 1.00 0.00 C ATOM 500 C TYR A 56 113.934 -10.488 0.857 1.00 0.00 C ATOM 501 O TYR A 56 113.040 -11.125 1.381 1.00 0.00 O ATOM 502 CB TYR A 56 114.207 -10.317 -1.673 1.00 0.00 C ATOM 503 CG TYR A 56 113.751 -11.756 -1.740 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.626 -12.114 -2.496 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.448 -12.729 -1.016 1.00 0.00 C ATOM 506 CE1 TYR A 56 112.205 -13.451 -2.523 1.00 0.00 C ATOM 507 CE2 TYR A 56 114.033 -14.058 -1.045 1.00 0.00 C ATOM 508 CZ TYR A 56 112.909 -14.422 -1.799 1.00 0.00 C ATOM 509 OH TYR A 56 112.493 -15.738 -1.825 1.00 0.00 O ATOM 0 H TYR A 56 115.274 -8.315 -0.811 1.00 0.00 H new ATOM 0 HA TYR A 56 112.575 -9.526 -0.439 1.00 0.00 H new ATOM 0 HB2 TYR A 56 113.864 -9.778 -2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.296 -10.273 -1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 56 112.086 -11.364 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 56 115.312 -12.448 -0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.338 -13.732 -3.102 1.00 0.00 H new ATOM 0 HE2 TYR A 56 114.576 -14.807 -0.488 1.00 0.00 H new ATOM 0 HH TYR A 56 113.091 -16.281 -1.271 1.00 0.00 H new ATOM 519 N HIS A 57 115.158 -10.528 1.329 1.00 0.00 N ATOM 520 CA HIS A 57 115.462 -11.370 2.532 1.00 0.00 C ATOM 521 C HIS A 57 114.577 -10.972 3.730 1.00 0.00 C ATOM 522 O HIS A 57 114.408 -11.737 4.661 1.00 0.00 O ATOM 523 CB HIS A 57 116.968 -11.171 2.813 1.00 0.00 C ATOM 524 CG HIS A 57 117.273 -9.856 3.502 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.239 -8.969 3.008 1.00 0.00 N ATOM 526 CD2 HIS A 57 116.805 -9.287 4.667 1.00 0.00 C ATOM 527 CE1 HIS A 57 118.321 -7.932 3.867 1.00 0.00 C ATOM 528 NE2 HIS A 57 117.472 -8.096 4.869 1.00 0.00 N ATOM 0 H HIS A 57 115.952 -10.020 0.939 1.00 0.00 H new ATOM 0 HA HIS A 57 115.242 -12.423 2.358 1.00 0.00 H new ATOM 0 HB2 HIS A 57 117.328 -11.992 3.433 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.517 -11.218 1.872 1.00 0.00 H new ATOM 0 HD1 HIS A 57 118.782 -9.086 2.153 1.00 0.00 H new ATOM 0 HD2 HIS A 57 116.045 -9.703 5.312 1.00 0.00 H new ATOM 0 HE1 HIS A 57 118.985 -7.088 3.753 1.00 0.00 H new ATOM 536 N GLY A 58 114.019 -9.784 3.712 1.00 0.00 N ATOM 537 CA GLY A 58 113.155 -9.341 4.847 1.00 0.00 C ATOM 538 C GLY A 58 111.676 -9.459 4.460 1.00 0.00 C ATOM 539 O GLY A 58 110.940 -10.244 5.028 1.00 0.00 O ATOM 0 H GLY A 58 114.126 -9.104 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 58 113.358 -9.950 5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 58 113.389 -8.310 5.111 1.00 0.00 H new ATOM 543 N ALA A 59 111.236 -8.677 3.505 1.00 0.00 N ATOM 544 CA ALA A 59 109.800 -8.731 3.083 1.00 0.00 C ATOM 545 C ALA A 59 109.535 -9.947 2.189 1.00 0.00 C ATOM 546 O ALA A 59 108.415 -10.404 2.073 1.00 0.00 O ATOM 547 CB ALA A 59 109.566 -7.435 2.305 1.00 0.00 C ATOM 0 H ALA A 59 111.809 -8.002 2.998 1.00 0.00 H new ATOM 0 HA ALA A 59 109.132 -8.826 3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 59 108.532 -7.399 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 59 109.762 -6.581 2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 59 110.236 -7.400 1.446 1.00 0.00 H new ATOM 553 N GLY A 60 110.551 -10.471 1.552 1.00 0.00 N ATOM 554 CA GLY A 60 110.357 -11.655 0.660 1.00 0.00 C ATOM 555 C GLY A 60 109.797 -12.831 1.465 1.00 0.00 C ATOM 556 O GLY A 60 109.068 -13.656 0.946 1.00 0.00 O ATOM 0 H GLY A 60 111.510 -10.129 1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 60 109.675 -11.401 -0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 60 111.306 -11.936 0.203 1.00 0.00 H new ATOM 719 N THR A 72 100.367 -8.184 -4.393 1.00 0.00 N ATOM 720 CA THR A 72 100.669 -8.534 -5.813 1.00 0.00 C ATOM 721 C THR A 72 102.187 -8.570 -6.009 1.00 0.00 C ATOM 722 O THR A 72 102.849 -7.550 -5.967 1.00 0.00 O ATOM 723 CB THR A 72 100.039 -7.414 -6.642 1.00 0.00 C ATOM 724 OG1 THR A 72 100.379 -6.157 -6.074 1.00 0.00 O ATOM 725 CG2 THR A 72 98.518 -7.578 -6.653 1.00 0.00 C ATOM 0 HA THR A 72 100.279 -9.509 -6.103 1.00 0.00 H new ATOM 0 HB THR A 72 100.414 -7.463 -7.664 1.00 0.00 H new ATOM 0 HG1 THR A 72 100.447 -6.246 -5.100 1.00 0.00 H new ATOM 0 HG21 THR A 72 98.070 -6.779 -7.244 1.00 0.00 H new ATOM 0 HG22 THR A 72 98.259 -8.542 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 72 98.139 -7.530 -5.632 1.00 0.00 H new ATOM 733 N GLN A 73 102.744 -9.740 -6.203 1.00 0.00 N ATOM 734 CA GLN A 73 104.224 -9.850 -6.380 1.00 0.00 C ATOM 735 C GLN A 73 104.600 -9.900 -7.863 1.00 0.00 C ATOM 736 O GLN A 73 104.291 -10.850 -8.557 1.00 0.00 O ATOM 737 CB GLN A 73 104.603 -11.164 -5.694 1.00 0.00 C ATOM 738 CG GLN A 73 104.469 -11.010 -4.178 1.00 0.00 C ATOM 739 CD GLN A 73 105.701 -10.294 -3.619 1.00 0.00 C ATOM 740 OE1 GLN A 73 106.740 -10.259 -4.251 1.00 0.00 O ATOM 741 NE2 GLN A 73 105.632 -9.721 -2.450 1.00 0.00 N ATOM 0 H GLN A 73 102.237 -10.624 -6.246 1.00 0.00 H new ATOM 0 HA GLN A 73 104.746 -8.991 -5.958 1.00 0.00 H new ATOM 0 HB2 GLN A 73 103.958 -11.969 -6.046 1.00 0.00 H new ATOM 0 HB3 GLN A 73 105.626 -11.439 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 73 103.569 -10.444 -3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 73 104.363 -11.989 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 73 104.762 -9.749 -1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 73 106.448 -9.244 -2.067 1.00 0.00 H new ATOM 750 N MET A 74 105.281 -8.890 -8.344 1.00 0.00 N ATOM 751 CA MET A 74 105.701 -8.881 -9.777 1.00 0.00 C ATOM 752 C MET A 74 107.230 -8.983 -9.871 1.00 0.00 C ATOM 753 O MET A 74 107.764 -9.526 -10.820 1.00 0.00 O ATOM 754 CB MET A 74 105.197 -7.551 -10.349 1.00 0.00 C ATOM 755 CG MET A 74 105.793 -6.375 -9.573 1.00 0.00 C ATOM 756 SD MET A 74 105.427 -4.836 -10.453 1.00 0.00 S ATOM 757 CE MET A 74 106.098 -3.700 -9.217 1.00 0.00 C ATOM 0 H MET A 74 105.564 -8.071 -7.805 1.00 0.00 H new ATOM 0 HA MET A 74 105.292 -9.724 -10.334 1.00 0.00 H new ATOM 0 HB2 MET A 74 105.469 -7.475 -11.402 1.00 0.00 H new ATOM 0 HB3 MET A 74 104.109 -7.515 -10.297 1.00 0.00 H new ATOM 0 HG2 MET A 74 105.377 -6.340 -8.566 1.00 0.00 H new ATOM 0 HG3 MET A 74 106.871 -6.501 -9.469 1.00 0.00 H new ATOM 0 HE1 MET A 74 105.516 -2.778 -9.216 1.00 0.00 H new ATOM 0 HE2 MET A 74 106.046 -4.163 -8.231 1.00 0.00 H new ATOM 0 HE3 MET A 74 107.137 -3.473 -9.457 1.00 0.00 H new ATOM 767 N TYR A 75 107.932 -8.478 -8.884 1.00 0.00 N ATOM 768 CA TYR A 75 109.425 -8.559 -8.902 1.00 0.00 C ATOM 769 C TYR A 75 109.913 -9.335 -7.672 1.00 0.00 C ATOM 770 O TYR A 75 109.716 -8.914 -6.549 1.00 0.00 O ATOM 771 CB TYR A 75 109.911 -7.108 -8.848 1.00 0.00 C ATOM 772 CG TYR A 75 109.560 -6.397 -10.135 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.913 -6.958 -11.370 1.00 0.00 C ATOM 774 CD2 TYR A 75 108.886 -5.171 -10.091 1.00 0.00 C ATOM 775 CE1 TYR A 75 109.589 -6.291 -12.558 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.562 -4.506 -11.278 1.00 0.00 C ATOM 777 CZ TYR A 75 108.914 -5.065 -12.512 1.00 0.00 C ATOM 778 OH TYR A 75 108.595 -4.409 -13.684 1.00 0.00 O ATOM 0 H TYR A 75 107.534 -8.014 -8.068 1.00 0.00 H new ATOM 0 HA TYR A 75 109.802 -9.075 -9.785 1.00 0.00 H new ATOM 0 HB2 TYR A 75 109.454 -6.594 -8.003 1.00 0.00 H new ATOM 0 HB3 TYR A 75 110.989 -7.083 -8.691 1.00 0.00 H new ATOM 0 HD1 TYR A 75 110.434 -7.903 -11.405 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.616 -4.738 -9.139 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.860 -6.722 -13.510 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.040 -3.561 -11.242 1.00 0.00 H new ATOM 0 HH TYR A 75 109.333 -4.502 -14.322 1.00 0.00 H new ATOM 788 N THR A 76 110.539 -10.466 -7.878 1.00 0.00 N ATOM 789 CA THR A 76 111.033 -11.276 -6.721 1.00 0.00 C ATOM 790 C THR A 76 112.280 -12.071 -7.122 1.00 0.00 C ATOM 791 O THR A 76 112.298 -12.728 -8.146 1.00 0.00 O ATOM 792 CB THR A 76 109.876 -12.221 -6.391 1.00 0.00 C ATOM 793 OG1 THR A 76 108.648 -11.511 -6.462 1.00 0.00 O ATOM 794 CG2 THR A 76 110.057 -12.782 -4.983 1.00 0.00 C ATOM 0 H THR A 76 110.730 -10.864 -8.797 1.00 0.00 H new ATOM 0 HA THR A 76 111.316 -10.657 -5.869 1.00 0.00 H new ATOM 0 HB THR A 76 109.865 -13.041 -7.109 1.00 0.00 H new ATOM 0 HG1 THR A 76 108.350 -11.281 -5.557 1.00 0.00 H new ATOM 0 HG21 THR A 76 109.232 -13.455 -4.750 1.00 0.00 H new ATOM 0 HG22 THR A 76 110.998 -13.329 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 76 110.071 -11.963 -4.264 1.00 0.00 H new ATOM 802 N ASN A 77 113.327 -12.012 -6.328 1.00 0.00 N ATOM 803 CA ASN A 77 114.574 -12.766 -6.681 1.00 0.00 C ATOM 804 C ASN A 77 115.552 -12.813 -5.498 1.00 0.00 C ATOM 805 O ASN A 77 115.964 -11.787 -4.989 1.00 0.00 O ATOM 806 CB ASN A 77 115.181 -11.965 -7.830 1.00 0.00 C ATOM 807 CG ASN A 77 116.445 -12.663 -8.342 1.00 0.00 C ATOM 808 OD1 ASN A 77 117.546 -12.232 -8.066 1.00 0.00 O ATOM 809 ND2 ASN A 77 116.330 -13.734 -9.080 1.00 0.00 N ATOM 0 H ASN A 77 113.371 -11.479 -5.459 1.00 0.00 H new ATOM 0 HA ASN A 77 114.363 -13.803 -6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.457 -11.867 -8.639 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.423 -10.957 -7.494 1.00 0.00 H new ATOM 0 HD21 ASN A 77 117.165 -14.208 -9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 77 115.405 -14.097 -9.312 1.00 0.00 H new ATOM 816 N VAL A 78 115.940 -13.995 -5.072 1.00 0.00 N ATOM 817 CA VAL A 78 116.911 -14.097 -3.937 1.00 0.00 C ATOM 818 C VAL A 78 118.309 -13.680 -4.419 1.00 0.00 C ATOM 819 O VAL A 78 119.057 -13.047 -3.699 1.00 0.00 O ATOM 820 CB VAL A 78 116.888 -15.577 -3.487 1.00 0.00 C ATOM 821 CG1 VAL A 78 117.997 -15.859 -2.456 1.00 0.00 C ATOM 822 CG2 VAL A 78 115.545 -15.890 -2.830 1.00 0.00 C ATOM 0 H VAL A 78 115.628 -14.886 -5.459 1.00 0.00 H new ATOM 0 HA VAL A 78 116.649 -13.441 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 78 117.045 -16.197 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 78 117.958 -16.906 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 78 118.969 -15.644 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 78 117.850 -15.226 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 78 115.529 -16.933 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 78 115.405 -15.245 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.741 -15.716 -3.545 1.00 0.00 H new ATOM 832 N ASP A 79 118.666 -14.043 -5.627 1.00 0.00 N ATOM 833 CA ASP A 79 120.022 -13.686 -6.158 1.00 0.00 C ATOM 834 C ASP A 79 120.249 -12.172 -6.086 1.00 0.00 C ATOM 835 O ASP A 79 121.355 -11.712 -5.871 1.00 0.00 O ATOM 836 CB ASP A 79 120.023 -14.156 -7.611 1.00 0.00 C ATOM 837 CG ASP A 79 121.452 -14.129 -8.158 1.00 0.00 C ATOM 838 OD1 ASP A 79 121.797 -15.030 -8.906 1.00 0.00 O ATOM 839 OD2 ASP A 79 122.177 -13.208 -7.819 1.00 0.00 O ATOM 0 H ASP A 79 118.077 -14.572 -6.270 1.00 0.00 H new ATOM 0 HA ASP A 79 120.819 -14.152 -5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.616 -15.165 -7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 79 119.380 -13.513 -8.212 1.00 0.00 H new ATOM 844 N GLN A 80 119.208 -11.400 -6.258 1.00 0.00 N ATOM 845 CA GLN A 80 119.352 -9.917 -6.195 1.00 0.00 C ATOM 846 C GLN A 80 118.888 -9.383 -4.823 1.00 0.00 C ATOM 847 O GLN A 80 119.192 -8.267 -4.448 1.00 0.00 O ATOM 848 CB GLN A 80 118.454 -9.408 -7.324 1.00 0.00 C ATOM 849 CG GLN A 80 119.033 -8.110 -7.900 1.00 0.00 C ATOM 850 CD GLN A 80 119.858 -8.427 -9.149 1.00 0.00 C ATOM 851 OE1 GLN A 80 121.006 -8.812 -9.053 1.00 0.00 O ATOM 852 NE2 GLN A 80 119.315 -8.280 -10.328 1.00 0.00 N ATOM 0 H GLN A 80 118.262 -11.735 -6.440 1.00 0.00 H new ATOM 0 HA GLN A 80 120.384 -9.586 -6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.376 -10.162 -8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.446 -9.233 -6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 80 118.227 -7.420 -8.149 1.00 0.00 H new ATOM 0 HG3 GLN A 80 119.657 -7.616 -7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 80 118.351 -7.957 -10.409 1.00 0.00 H new ATOM 0 HE22 GLN A 80 119.855 -8.489 -11.168 1.00 0.00 H new ATOM 861 N ASP A 81 118.178 -10.183 -4.064 1.00 0.00 N ATOM 862 CA ASP A 81 117.700 -9.763 -2.700 1.00 0.00 C ATOM 863 C ASP A 81 116.768 -8.540 -2.723 1.00 0.00 C ATOM 864 O ASP A 81 116.826 -7.717 -1.827 1.00 0.00 O ATOM 865 CB ASP A 81 118.953 -9.433 -1.883 1.00 0.00 C ATOM 866 CG ASP A 81 118.561 -9.294 -0.405 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.615 -9.932 0.028 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.276 -8.428 0.397 1.00 0.00 O ATOM 0 H ASP A 81 117.903 -11.127 -4.334 1.00 0.00 H new ATOM 0 HA ASP A 81 117.113 -10.574 -2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.699 -10.219 -2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.404 -8.508 -2.242 1.00 0.00 H new ATOM 874 N LEU A 82 115.870 -8.433 -3.675 1.00 0.00 N ATOM 875 CA LEU A 82 114.914 -7.274 -3.643 1.00 0.00 C ATOM 876 C LEU A 82 113.559 -7.642 -4.251 1.00 0.00 C ATOM 877 O LEU A 82 113.425 -8.609 -4.982 1.00 0.00 O ATOM 878 CB LEU A 82 115.576 -6.046 -4.340 1.00 0.00 C ATOM 879 CG LEU A 82 116.020 -6.237 -5.820 1.00 0.00 C ATOM 880 CD1 LEU A 82 117.517 -6.505 -5.863 1.00 0.00 C ATOM 881 CD2 LEU A 82 115.286 -7.373 -6.551 1.00 0.00 C ATOM 0 H LEU A 82 115.757 -9.080 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 82 114.705 -7.006 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 82 114.874 -5.213 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 82 116.450 -5.755 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 82 115.762 -5.314 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 82 117.833 -6.640 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 82 118.051 -5.660 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 82 117.741 -7.408 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 82 115.651 -7.442 -7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 82 115.470 -8.316 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 82 114.216 -7.168 -6.560 1.00 0.00 H new ATOM 893 N VAL A 83 112.553 -6.878 -3.928 1.00 0.00 N ATOM 894 CA VAL A 83 111.181 -7.152 -4.450 1.00 0.00 C ATOM 895 C VAL A 83 110.553 -5.817 -4.858 1.00 0.00 C ATOM 896 O VAL A 83 110.988 -4.770 -4.415 1.00 0.00 O ATOM 897 CB VAL A 83 110.392 -7.794 -3.286 1.00 0.00 C ATOM 898 CG1 VAL A 83 109.222 -8.597 -3.849 1.00 0.00 C ATOM 899 CG2 VAL A 83 111.277 -8.750 -2.473 1.00 0.00 C ATOM 0 H VAL A 83 112.622 -6.064 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 83 111.183 -7.815 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 83 110.041 -6.991 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 83 108.664 -9.051 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 83 108.565 -7.935 -4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 83 109.601 -9.379 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 83 110.693 -9.185 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 83 111.646 -9.545 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 83 112.121 -8.200 -2.058 1.00 0.00 H new ATOM 909 N GLY A 84 109.550 -5.832 -5.699 1.00 0.00 N ATOM 910 CA GLY A 84 108.925 -4.544 -6.125 1.00 0.00 C ATOM 911 C GLY A 84 107.407 -4.689 -6.213 1.00 0.00 C ATOM 912 O GLY A 84 106.891 -5.676 -6.706 1.00 0.00 O ATOM 0 H GLY A 84 109.140 -6.673 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.180 -3.757 -5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.324 -4.242 -7.093 1.00 0.00 H new ATOM 916 N TRP A 85 106.692 -3.697 -5.743 1.00 0.00 N ATOM 917 CA TRP A 85 105.201 -3.737 -5.794 1.00 0.00 C ATOM 918 C TRP A 85 104.690 -2.683 -6.779 1.00 0.00 C ATOM 919 O TRP A 85 105.372 -1.718 -7.072 1.00 0.00 O ATOM 920 CB TRP A 85 104.744 -3.393 -4.376 1.00 0.00 C ATOM 921 CG TRP A 85 105.160 -4.472 -3.431 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.777 -5.767 -3.512 1.00 0.00 C ATOM 923 CD2 TRP A 85 106.024 -4.373 -2.262 1.00 0.00 C ATOM 924 NE1 TRP A 85 105.351 -6.468 -2.467 1.00 0.00 N ATOM 925 CE2 TRP A 85 106.129 -5.653 -1.670 1.00 0.00 C ATOM 926 CE3 TRP A 85 106.719 -3.305 -1.666 1.00 0.00 C ATOM 927 CZ2 TRP A 85 106.897 -5.866 -0.525 1.00 0.00 C ATOM 928 CZ3 TRP A 85 107.494 -3.517 -0.513 1.00 0.00 C ATOM 929 CH2 TRP A 85 107.582 -4.796 0.056 1.00 0.00 C ATOM 0 H TRP A 85 107.083 -2.854 -5.323 1.00 0.00 H new ATOM 0 HA TRP A 85 104.824 -4.706 -6.122 1.00 0.00 H new ATOM 0 HB2 TRP A 85 105.175 -2.441 -4.067 1.00 0.00 H new ATOM 0 HB3 TRP A 85 103.661 -3.275 -4.352 1.00 0.00 H new ATOM 0 HD1 TRP A 85 104.129 -6.185 -4.269 1.00 0.00 H new ATOM 0 HE1 TRP A 85 105.216 -7.466 -2.305 1.00 0.00 H new ATOM 0 HE3 TRP A 85 106.657 -2.317 -2.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 106.962 -6.852 -0.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 108.024 -2.691 -0.063 1.00 0.00 H new ATOM 0 HH2 TRP A 85 108.179 -4.953 0.942 1.00 0.00 H new ATOM 940 N GLN A 86 103.494 -2.856 -7.282 1.00 0.00 N ATOM 941 CA GLN A 86 102.935 -1.857 -8.245 1.00 0.00 C ATOM 942 C GLN A 86 102.658 -0.535 -7.525 1.00 0.00 C ATOM 943 O GLN A 86 101.819 -0.463 -6.646 1.00 0.00 O ATOM 944 CB GLN A 86 101.629 -2.474 -8.752 1.00 0.00 C ATOM 945 CG GLN A 86 101.942 -3.541 -9.804 1.00 0.00 C ATOM 946 CD GLN A 86 100.689 -4.378 -10.069 1.00 0.00 C ATOM 947 OE1 GLN A 86 99.899 -4.612 -9.175 1.00 0.00 O ATOM 948 NE2 GLN A 86 100.470 -4.841 -11.270 1.00 0.00 N ATOM 0 H GLN A 86 102.881 -3.643 -7.069 1.00 0.00 H new ATOM 0 HA GLN A 86 103.624 -1.641 -9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 86 101.078 -2.917 -7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 86 100.992 -1.701 -9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 86 102.279 -3.069 -10.727 1.00 0.00 H new ATOM 0 HG3 GLN A 86 102.754 -4.181 -9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 86 101.132 -4.645 -12.021 1.00 0.00 H new ATOM 0 HE22 GLN A 86 99.637 -5.398 -11.458 1.00 0.00 H new ATOM 957 N ALA A 87 103.359 0.509 -7.888 1.00 0.00 N ATOM 958 CA ALA A 87 103.143 1.830 -7.226 1.00 0.00 C ATOM 959 C ALA A 87 102.255 2.724 -8.104 1.00 0.00 C ATOM 960 O ALA A 87 102.065 2.440 -9.270 1.00 0.00 O ATOM 961 CB ALA A 87 104.540 2.436 -7.084 1.00 0.00 C ATOM 0 H ALA A 87 104.073 0.503 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 87 102.642 1.732 -6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 87 104.466 3.412 -6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 87 105.162 1.779 -6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 87 104.989 2.550 -8.071 1.00 0.00 H new ATOM 967 N PRO A 88 101.732 3.783 -7.521 1.00 0.00 N ATOM 968 CA PRO A 88 100.859 4.706 -8.288 1.00 0.00 C ATOM 969 C PRO A 88 101.697 5.533 -9.280 1.00 0.00 C ATOM 970 O PRO A 88 102.782 5.967 -8.945 1.00 0.00 O ATOM 971 CB PRO A 88 100.248 5.602 -7.213 1.00 0.00 C ATOM 972 CG PRO A 88 101.220 5.563 -6.077 1.00 0.00 C ATOM 973 CD PRO A 88 101.896 4.219 -6.122 1.00 0.00 C ATOM 0 HA PRO A 88 100.105 4.189 -8.882 1.00 0.00 H new ATOM 0 HB2 PRO A 88 100.110 6.619 -7.579 1.00 0.00 H new ATOM 0 HB3 PRO A 88 99.268 5.238 -6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 88 101.952 6.366 -6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 88 100.707 5.705 -5.126 1.00 0.00 H new ATOM 0 HD2 PRO A 88 102.948 4.292 -5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 88 101.434 3.517 -5.428 1.00 0.00 H new ATOM 981 N PRO A 89 101.177 5.730 -10.476 1.00 0.00 N ATOM 982 CA PRO A 89 101.918 6.513 -11.493 1.00 0.00 C ATOM 983 C PRO A 89 101.822 8.011 -11.189 1.00 0.00 C ATOM 984 O PRO A 89 100.943 8.452 -10.473 1.00 0.00 O ATOM 985 CB PRO A 89 101.204 6.182 -12.799 1.00 0.00 C ATOM 986 CG PRO A 89 99.818 5.783 -12.400 1.00 0.00 C ATOM 987 CD PRO A 89 99.882 5.254 -10.992 1.00 0.00 C ATOM 0 HA PRO A 89 102.981 6.273 -11.522 1.00 0.00 H new ATOM 0 HB2 PRO A 89 101.189 7.042 -13.468 1.00 0.00 H new ATOM 0 HB3 PRO A 89 101.709 5.375 -13.330 1.00 0.00 H new ATOM 0 HG2 PRO A 89 99.143 6.637 -12.458 1.00 0.00 H new ATOM 0 HG3 PRO A 89 99.429 5.023 -13.077 1.00 0.00 H new ATOM 0 HD2 PRO A 89 99.054 5.628 -10.390 1.00 0.00 H new ATOM 0 HD3 PRO A 89 99.824 4.166 -10.974 1.00 0.00 H new ATOM 995 N GLY A 90 102.721 8.793 -11.731 1.00 0.00 N ATOM 996 CA GLY A 90 102.690 10.265 -11.481 1.00 0.00 C ATOM 997 C GLY A 90 103.079 10.546 -10.030 1.00 0.00 C ATOM 998 O GLY A 90 102.639 11.514 -9.437 1.00 0.00 O ATOM 0 H GLY A 90 103.477 8.474 -12.337 1.00 0.00 H new ATOM 0 HA2 GLY A 90 103.377 10.774 -12.157 1.00 0.00 H new ATOM 0 HA3 GLY A 90 101.694 10.658 -11.684 1.00 0.00 H new ATOM 1002 N ALA A 91 103.901 9.706 -9.453 1.00 0.00 N ATOM 1003 CA ALA A 91 104.326 9.916 -8.038 1.00 0.00 C ATOM 1004 C ALA A 91 105.796 10.343 -7.989 1.00 0.00 C ATOM 1005 O ALA A 91 106.506 10.262 -8.974 1.00 0.00 O ATOM 1006 CB ALA A 91 104.140 8.557 -7.364 1.00 0.00 C ATOM 0 H ALA A 91 104.297 8.881 -9.904 1.00 0.00 H new ATOM 0 HA ALA A 91 103.750 10.698 -7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 91 104.432 8.627 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 91 103.094 8.258 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 91 104.761 7.814 -7.865 1.00 0.00 H new ATOM 1012 N ARG A 92 106.254 10.795 -6.849 1.00 0.00 N ATOM 1013 CA ARG A 92 107.682 11.229 -6.728 1.00 0.00 C ATOM 1014 C ARG A 92 108.620 10.061 -7.048 1.00 0.00 C ATOM 1015 O ARG A 92 108.385 8.938 -6.641 1.00 0.00 O ATOM 1016 CB ARG A 92 107.846 11.667 -5.271 1.00 0.00 C ATOM 1017 CG ARG A 92 107.483 13.147 -5.138 1.00 0.00 C ATOM 1018 CD ARG A 92 106.940 13.418 -3.731 1.00 0.00 C ATOM 1019 NE ARG A 92 105.451 13.347 -3.863 1.00 0.00 N ATOM 1020 CZ ARG A 92 104.670 13.319 -2.802 1.00 0.00 C ATOM 1021 NH1 ARG A 92 105.159 13.152 -1.596 1.00 0.00 N ATOM 1022 NH2 ARG A 92 103.382 13.459 -2.954 1.00 0.00 N ATOM 0 H ARG A 92 105.702 10.883 -5.996 1.00 0.00 H new ATOM 0 HA ARG A 92 107.928 12.032 -7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 92 107.206 11.065 -4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 92 108.873 11.503 -4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 92 108.361 13.765 -5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 92 106.737 13.418 -5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 92 107.308 12.680 -3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 92 107.257 14.396 -3.369 1.00 0.00 H new ATOM 0 HE ARG A 92 105.032 13.320 -4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 92 106.164 13.040 -1.464 1.00 0.00 H new ATOM 0 HH12 ARG A 92 104.534 13.134 -0.790 1.00 0.00 H new ATOM 0 HH21 ARG A 92 102.990 13.588 -3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 92 102.767 13.439 -2.140 1.00 0.00 H new ATOM 1036 N SER A 93 109.679 10.319 -7.774 1.00 0.00 N ATOM 1037 CA SER A 93 110.636 9.228 -8.127 1.00 0.00 C ATOM 1038 C SER A 93 112.077 9.680 -7.873 1.00 0.00 C ATOM 1039 O SER A 93 112.387 10.855 -7.935 1.00 0.00 O ATOM 1040 CB SER A 93 110.411 8.972 -9.617 1.00 0.00 C ATOM 1041 OG SER A 93 110.668 10.168 -10.342 1.00 0.00 O ATOM 0 H SER A 93 109.922 11.240 -8.138 1.00 0.00 H new ATOM 0 HA SER A 93 110.476 8.331 -7.529 1.00 0.00 H new ATOM 0 HB2 SER A 93 111.068 8.174 -9.964 1.00 0.00 H new ATOM 0 HB3 SER A 93 109.387 8.640 -9.791 1.00 0.00 H new ATOM 0 HG SER A 93 110.526 10.008 -11.298 1.00 0.00 H new ATOM 1047 N LEU A 94 112.956 8.753 -7.586 1.00 0.00 N ATOM 1048 CA LEU A 94 114.381 9.118 -7.326 1.00 0.00 C ATOM 1049 C LEU A 94 115.218 8.924 -8.594 1.00 0.00 C ATOM 1050 O LEU A 94 115.149 7.896 -9.241 1.00 0.00 O ATOM 1051 CB LEU A 94 114.841 8.157 -6.229 1.00 0.00 C ATOM 1052 CG LEU A 94 114.166 8.527 -4.908 1.00 0.00 C ATOM 1053 CD1 LEU A 94 114.421 7.425 -3.877 1.00 0.00 C ATOM 1054 CD2 LEU A 94 114.747 9.846 -4.393 1.00 0.00 C ATOM 0 H LEU A 94 112.747 7.757 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 94 114.492 10.161 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 94 114.592 7.132 -6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 94 115.925 8.204 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 94 113.093 8.636 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 94 113.940 7.689 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 94 114.011 6.483 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 94 115.494 7.317 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 94 114.267 10.112 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 94 115.820 9.734 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 94 114.569 10.633 -5.126 1.00 0.00 H new ATOM 1066 N THR A 95 116.008 9.905 -8.948 1.00 0.00 N ATOM 1067 CA THR A 95 116.857 9.787 -10.172 1.00 0.00 C ATOM 1068 C THR A 95 118.172 9.062 -9.840 1.00 0.00 C ATOM 1069 O THR A 95 118.604 9.072 -8.704 1.00 0.00 O ATOM 1070 CB THR A 95 117.133 11.229 -10.603 1.00 0.00 C ATOM 1071 OG1 THR A 95 117.705 11.946 -9.517 1.00 0.00 O ATOM 1072 CG2 THR A 95 115.824 11.898 -11.025 1.00 0.00 C ATOM 0 H THR A 95 116.102 10.785 -8.441 1.00 0.00 H new ATOM 0 HA THR A 95 116.369 9.212 -10.959 1.00 0.00 H new ATOM 0 HB THR A 95 117.826 11.230 -11.444 1.00 0.00 H new ATOM 0 HG1 THR A 95 117.884 12.869 -9.793 1.00 0.00 H new ATOM 0 HG21 THR A 95 116.023 12.925 -11.332 1.00 0.00 H new ATOM 0 HG22 THR A 95 115.387 11.348 -11.859 1.00 0.00 H new ATOM 0 HG23 THR A 95 115.128 11.898 -10.186 1.00 0.00 H new ATOM 1080 N PRO A 96 118.774 8.454 -10.841 1.00 0.00 N ATOM 1081 CA PRO A 96 120.053 7.730 -10.620 1.00 0.00 C ATOM 1082 C PRO A 96 121.199 8.723 -10.404 1.00 0.00 C ATOM 1083 O PRO A 96 121.085 9.892 -10.721 1.00 0.00 O ATOM 1084 CB PRO A 96 120.250 6.944 -11.913 1.00 0.00 C ATOM 1085 CG PRO A 96 119.486 7.703 -12.950 1.00 0.00 C ATOM 1086 CD PRO A 96 118.339 8.379 -12.246 1.00 0.00 C ATOM 0 HA PRO A 96 120.036 7.090 -9.738 1.00 0.00 H new ATOM 0 HB2 PRO A 96 121.306 6.873 -12.174 1.00 0.00 H new ATOM 0 HB3 PRO A 96 119.877 5.925 -11.816 1.00 0.00 H new ATOM 0 HG2 PRO A 96 120.125 8.438 -13.439 1.00 0.00 H new ATOM 0 HG3 PRO A 96 119.120 7.032 -13.727 1.00 0.00 H new ATOM 0 HD2 PRO A 96 118.147 9.370 -12.657 1.00 0.00 H new ATOM 0 HD3 PRO A 96 117.416 7.808 -12.348 1.00 0.00 H new ATOM 1094 N CYS A 97 122.301 8.263 -9.866 1.00 0.00 N ATOM 1095 CA CYS A 97 123.462 9.174 -9.626 1.00 0.00 C ATOM 1096 C CYS A 97 124.279 9.338 -10.910 1.00 0.00 C ATOM 1097 O CYS A 97 124.625 8.373 -11.564 1.00 0.00 O ATOM 1098 CB CYS A 97 124.295 8.484 -8.545 1.00 0.00 C ATOM 1099 SG CYS A 97 125.672 9.557 -8.066 1.00 0.00 S ATOM 0 H CYS A 97 122.447 7.294 -9.582 1.00 0.00 H new ATOM 0 HA CYS A 97 123.146 10.171 -9.320 1.00 0.00 H new ATOM 0 HB2 CYS A 97 123.673 8.263 -7.677 1.00 0.00 H new ATOM 0 HB3 CYS A 97 124.674 7.532 -8.916 1.00 0.00 H new ATOM 0 HG CYS A 97 125.237 10.497 -7.280 1.00 0.00 H new ATOM 1104 N THR A 98 124.590 10.558 -11.270 1.00 0.00 N ATOM 1105 CA THR A 98 125.388 10.799 -12.510 1.00 0.00 C ATOM 1106 C THR A 98 126.478 11.841 -12.240 1.00 0.00 C ATOM 1107 O THR A 98 126.552 12.860 -12.902 1.00 0.00 O ATOM 1108 CB THR A 98 124.378 11.327 -13.532 1.00 0.00 C ATOM 1109 OG1 THR A 98 123.258 10.454 -13.584 1.00 0.00 O ATOM 1110 CG2 THR A 98 125.036 11.400 -14.911 1.00 0.00 C ATOM 0 H THR A 98 124.325 11.399 -10.757 1.00 0.00 H new ATOM 0 HA THR A 98 125.891 9.899 -12.863 1.00 0.00 H new ATOM 0 HB THR A 98 124.048 12.323 -13.236 1.00 0.00 H new ATOM 0 HG1 THR A 98 122.610 10.792 -14.237 1.00 0.00 H new ATOM 0 HG21 THR A 98 124.316 11.776 -15.638 1.00 0.00 H new ATOM 0 HG22 THR A 98 125.894 12.071 -14.870 1.00 0.00 H new ATOM 0 HG23 THR A 98 125.367 10.405 -15.209 1.00 0.00 H new ATOM 1118 N CYS A 99 127.319 11.596 -11.266 1.00 0.00 N ATOM 1119 CA CYS A 99 128.402 12.579 -10.945 1.00 0.00 C ATOM 1120 C CYS A 99 129.697 11.882 -10.482 1.00 0.00 C ATOM 1121 O CYS A 99 130.641 12.537 -10.084 1.00 0.00 O ATOM 1122 CB CYS A 99 127.828 13.450 -9.818 1.00 0.00 C ATOM 1123 SG CYS A 99 127.399 12.424 -8.382 1.00 0.00 S ATOM 0 H CYS A 99 127.304 10.761 -10.680 1.00 0.00 H new ATOM 0 HA CYS A 99 128.678 13.160 -11.825 1.00 0.00 H new ATOM 0 HB2 CYS A 99 128.557 14.207 -9.528 1.00 0.00 H new ATOM 0 HB3 CYS A 99 126.943 13.979 -10.173 1.00 0.00 H new ATOM 0 HG CYS A 99 126.670 11.419 -8.769 1.00 0.00 H new ATOM 1128 N GLY A 100 129.759 10.567 -10.535 1.00 0.00 N ATOM 1129 CA GLY A 100 131.002 9.844 -10.102 1.00 0.00 C ATOM 1130 C GLY A 100 131.435 10.307 -8.705 1.00 0.00 C ATOM 1131 O GLY A 100 132.576 10.672 -8.491 1.00 0.00 O ATOM 0 H GLY A 100 129.002 9.965 -10.859 1.00 0.00 H new ATOM 0 HA2 GLY A 100 130.821 8.769 -10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 100 131.804 10.027 -10.817 1.00 0.00 H new ATOM 1135 N SER A 101 130.531 10.299 -7.757 1.00 0.00 N ATOM 1136 CA SER A 101 130.886 10.745 -6.375 1.00 0.00 C ATOM 1137 C SER A 101 131.165 9.537 -5.476 1.00 0.00 C ATOM 1138 O SER A 101 130.321 8.679 -5.295 1.00 0.00 O ATOM 1139 CB SER A 101 129.659 11.508 -5.880 1.00 0.00 C ATOM 1140 OG SER A 101 128.508 10.688 -6.024 1.00 0.00 O ATOM 0 H SER A 101 129.563 10.003 -7.881 1.00 0.00 H new ATOM 0 HA SER A 101 131.785 11.361 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 101 129.789 11.792 -4.836 1.00 0.00 H new ATOM 0 HB3 SER A 101 129.536 12.430 -6.448 1.00 0.00 H new ATOM 0 HG SER A 101 127.947 11.036 -6.749 1.00 0.00 H new ATOM 1146 N SER A 102 132.343 9.471 -4.910 1.00 0.00 N ATOM 1147 CA SER A 102 132.690 8.324 -4.015 1.00 0.00 C ATOM 1148 C SER A 102 131.959 8.457 -2.675 1.00 0.00 C ATOM 1149 O SER A 102 131.482 7.485 -2.120 1.00 0.00 O ATOM 1150 CB SER A 102 134.203 8.416 -3.812 1.00 0.00 C ATOM 1151 OG SER A 102 134.855 8.241 -5.063 1.00 0.00 O ATOM 0 H SER A 102 133.082 10.164 -5.029 1.00 0.00 H new ATOM 0 HA SER A 102 132.396 7.366 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.466 9.383 -3.384 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.534 7.654 -3.106 1.00 0.00 H new ATOM 0 HG SER A 102 135.825 8.301 -4.938 1.00 0.00 H new ATOM 1157 N ASP A 103 131.873 9.655 -2.155 1.00 0.00 N ATOM 1158 CA ASP A 103 131.174 9.862 -0.847 1.00 0.00 C ATOM 1159 C ASP A 103 129.684 9.546 -0.988 1.00 0.00 C ATOM 1160 O ASP A 103 129.030 10.003 -1.906 1.00 0.00 O ATOM 1161 CB ASP A 103 131.378 11.341 -0.512 1.00 0.00 C ATOM 1162 CG ASP A 103 130.904 11.609 0.919 1.00 0.00 C ATOM 1163 OD1 ASP A 103 129.706 11.562 1.143 1.00 0.00 O ATOM 1164 OD2 ASP A 103 131.747 11.859 1.764 1.00 0.00 O ATOM 0 H ASP A 103 132.256 10.500 -2.579 1.00 0.00 H new ATOM 0 HA ASP A 103 131.565 9.211 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 103 132.430 11.606 -0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.823 11.964 -1.213 1.00 0.00 H new ATOM 1169 N LEU A 104 129.146 8.763 -0.087 1.00 0.00 N ATOM 1170 CA LEU A 104 127.696 8.410 -0.163 1.00 0.00 C ATOM 1171 C LEU A 104 127.050 8.508 1.222 1.00 0.00 C ATOM 1172 O LEU A 104 127.667 8.207 2.226 1.00 0.00 O ATOM 1173 CB LEU A 104 127.666 6.966 -0.666 1.00 0.00 C ATOM 1174 CG LEU A 104 128.170 6.917 -2.110 1.00 0.00 C ATOM 1175 CD1 LEU A 104 128.350 5.460 -2.540 1.00 0.00 C ATOM 1176 CD2 LEU A 104 127.152 7.598 -3.027 1.00 0.00 C ATOM 0 H LEU A 104 129.650 8.352 0.699 1.00 0.00 H new ATOM 0 HA LEU A 104 127.143 9.083 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 104 128.288 6.336 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.651 6.571 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 104 129.126 7.435 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.709 5.426 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 104 129.075 4.975 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 104 127.395 4.940 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.509 7.564 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 104 126.196 7.079 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 104 127.024 8.636 -2.721 1.00 0.00 H new ATOM 1188 N TYR A 105 125.811 8.924 1.280 1.00 0.00 N ATOM 1189 CA TYR A 105 125.113 9.042 2.596 1.00 0.00 C ATOM 1190 C TYR A 105 123.962 8.036 2.676 1.00 0.00 C ATOM 1191 O TYR A 105 123.136 7.957 1.787 1.00 0.00 O ATOM 1192 CB TYR A 105 124.575 10.473 2.633 1.00 0.00 C ATOM 1193 CG TYR A 105 125.670 11.412 3.080 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.883 11.636 4.445 1.00 0.00 C ATOM 1195 CD2 TYR A 105 126.469 12.060 2.131 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.897 12.508 4.862 1.00 0.00 C ATOM 1197 CE2 TYR A 105 127.483 12.931 2.547 1.00 0.00 C ATOM 1198 CZ TYR A 105 127.697 13.155 3.912 1.00 0.00 C ATOM 1199 OH TYR A 105 128.696 14.014 4.323 1.00 0.00 O ATOM 0 H TYR A 105 125.251 9.188 0.470 1.00 0.00 H new ATOM 0 HA TYR A 105 125.777 8.834 3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 105 124.214 10.762 1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.727 10.536 3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 105 125.266 11.137 5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 105 126.303 11.888 1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 105 127.062 12.681 5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 105 128.100 13.430 1.815 1.00 0.00 H new ATOM 0 HH TYR A 105 129.157 14.378 3.539 1.00 0.00 H new ATOM 1209 N LEU A 106 123.905 7.268 3.735 1.00 0.00 N ATOM 1210 CA LEU A 106 122.811 6.262 3.882 1.00 0.00 C ATOM 1211 C LEU A 106 121.785 6.742 4.914 1.00 0.00 C ATOM 1212 O LEU A 106 122.135 7.298 5.938 1.00 0.00 O ATOM 1213 CB LEU A 106 123.510 4.986 4.363 1.00 0.00 C ATOM 1214 CG LEU A 106 122.480 3.869 4.570 1.00 0.00 C ATOM 1215 CD1 LEU A 106 121.954 3.394 3.216 1.00 0.00 C ATOM 1216 CD2 LEU A 106 123.142 2.696 5.296 1.00 0.00 C ATOM 0 H LEU A 106 124.572 7.295 4.506 1.00 0.00 H new ATOM 0 HA LEU A 106 122.267 6.101 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.256 4.673 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 106 124.039 5.181 5.296 1.00 0.00 H new ATOM 0 HG LEU A 106 121.651 4.250 5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 106 121.222 2.600 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 106 121.482 4.228 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 106 122.782 3.015 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 106 122.411 1.901 5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 106 123.972 2.320 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 106 123.515 3.031 6.264 1.00 0.00 H new ATOM 1228 N VAL A 107 120.521 6.526 4.648 1.00 0.00 N ATOM 1229 CA VAL A 107 119.462 6.963 5.608 1.00 0.00 C ATOM 1230 C VAL A 107 119.140 5.821 6.580 1.00 0.00 C ATOM 1231 O VAL A 107 118.756 4.741 6.173 1.00 0.00 O ATOM 1232 CB VAL A 107 118.246 7.296 4.737 1.00 0.00 C ATOM 1233 CG1 VAL A 107 117.087 7.762 5.622 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.609 8.413 3.754 1.00 0.00 C ATOM 0 H VAL A 107 120.177 6.065 3.806 1.00 0.00 H new ATOM 0 HA VAL A 107 119.770 7.818 6.210 1.00 0.00 H new ATOM 0 HB VAL A 107 117.947 6.404 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.225 7.998 4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.823 6.970 6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.387 8.651 6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.743 8.649 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 107 118.912 9.301 4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.431 8.085 3.118 1.00 0.00 H new ATOM 1244 N THR A 108 119.293 6.056 7.859 1.00 0.00 N ATOM 1245 CA THR A 108 119.001 4.988 8.863 1.00 0.00 C ATOM 1246 C THR A 108 117.510 4.983 9.217 1.00 0.00 C ATOM 1247 O THR A 108 116.764 5.851 8.806 1.00 0.00 O ATOM 1248 CB THR A 108 119.844 5.350 10.088 1.00 0.00 C ATOM 1249 OG1 THR A 108 121.135 5.768 9.665 1.00 0.00 O ATOM 1250 CG2 THR A 108 119.974 4.130 11.000 1.00 0.00 C ATOM 0 H THR A 108 119.608 6.943 8.252 1.00 0.00 H new ATOM 0 HA THR A 108 119.239 3.993 8.486 1.00 0.00 H new ATOM 0 HB THR A 108 119.361 6.159 10.636 1.00 0.00 H new ATOM 0 HG1 THR A 108 121.676 6.002 10.448 1.00 0.00 H new ATOM 0 HG21 THR A 108 120.575 4.390 11.872 1.00 0.00 H new ATOM 0 HG22 THR A 108 118.983 3.811 11.324 1.00 0.00 H new ATOM 0 HG23 THR A 108 120.457 3.318 10.456 1.00 0.00 H new ATOM 1258 N ARG A 109 117.075 4.007 9.974 1.00 0.00 N ATOM 1259 CA ARG A 109 115.631 3.934 10.361 1.00 0.00 C ATOM 1260 C ARG A 109 115.219 5.189 11.139 1.00 0.00 C ATOM 1261 O ARG A 109 114.066 5.576 11.140 1.00 0.00 O ATOM 1262 CB ARG A 109 115.509 2.685 11.246 1.00 0.00 C ATOM 1263 CG ARG A 109 116.429 2.813 12.468 1.00 0.00 C ATOM 1264 CD ARG A 109 115.611 3.251 13.688 1.00 0.00 C ATOM 1265 NE ARG A 109 116.230 2.534 14.844 1.00 0.00 N ATOM 1266 CZ ARG A 109 115.881 1.301 15.151 1.00 0.00 C ATOM 1267 NH1 ARG A 109 115.132 0.580 14.349 1.00 0.00 N ATOM 1268 NH2 ARG A 109 116.292 0.782 16.276 1.00 0.00 N ATOM 0 H ARG A 109 117.658 3.256 10.342 1.00 0.00 H new ATOM 0 HA ARG A 109 114.980 3.877 9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 109 114.476 2.559 11.570 1.00 0.00 H new ATOM 0 HB3 ARG A 109 115.774 1.796 10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 109 116.917 1.859 12.669 1.00 0.00 H new ATOM 0 HG3 ARG A 109 117.217 3.539 12.267 1.00 0.00 H new ATOM 0 HD2 ARG A 109 115.653 4.332 13.825 1.00 0.00 H new ATOM 0 HD3 ARG A 109 114.560 2.985 13.575 1.00 0.00 H new ATOM 0 HE ARG A 109 116.936 3.008 15.406 1.00 0.00 H new ATOM 0 HH11 ARG A 109 114.807 0.972 13.465 1.00 0.00 H new ATOM 0 HH12 ARG A 109 114.876 -0.372 14.610 1.00 0.00 H new ATOM 0 HH21 ARG A 109 116.877 1.330 16.907 1.00 0.00 H new ATOM 0 HH22 ARG A 109 116.028 -0.171 16.524 1.00 0.00 H new ATOM 1282 N HIS A 110 116.155 5.823 11.801 1.00 0.00 N ATOM 1283 CA HIS A 110 115.824 7.051 12.583 1.00 0.00 C ATOM 1284 C HIS A 110 116.118 8.307 11.757 1.00 0.00 C ATOM 1285 O HIS A 110 116.379 9.366 12.294 1.00 0.00 O ATOM 1286 CB HIS A 110 116.733 6.993 13.811 1.00 0.00 C ATOM 1287 CG HIS A 110 116.115 7.787 14.928 1.00 0.00 C ATOM 1288 ND1 HIS A 110 116.714 8.925 15.444 1.00 0.00 N ATOM 1289 CD2 HIS A 110 114.952 7.621 15.638 1.00 0.00 C ATOM 1290 CE1 HIS A 110 115.916 9.397 16.419 1.00 0.00 C ATOM 1291 NE2 HIS A 110 114.828 8.639 16.578 1.00 0.00 N ATOM 0 H HIS A 110 117.135 5.542 11.833 1.00 0.00 H new ATOM 0 HA HIS A 110 114.769 7.093 12.855 1.00 0.00 H new ATOM 0 HB2 HIS A 110 116.877 5.958 14.122 1.00 0.00 H new ATOM 0 HB3 HIS A 110 117.717 7.393 13.568 1.00 0.00 H new ATOM 0 HD2 HIS A 110 114.241 6.822 15.489 1.00 0.00 H new ATOM 0 HE1 HIS A 110 116.129 10.281 17.002 1.00 0.00 H new ATOM 0 HE2 HIS A 110 114.069 8.777 17.245 1.00 0.00 H new ATOM 1299 N ALA A 111 116.075 8.197 10.448 1.00 0.00 N ATOM 1300 CA ALA A 111 116.347 9.381 9.566 1.00 0.00 C ATOM 1301 C ALA A 111 117.684 10.037 9.931 1.00 0.00 C ATOM 1302 O ALA A 111 117.808 11.248 9.942 1.00 0.00 O ATOM 1303 CB ALA A 111 115.187 10.349 9.813 1.00 0.00 C ATOM 0 H ALA A 111 115.862 7.333 9.950 1.00 0.00 H new ATOM 0 HA ALA A 111 116.418 9.093 8.517 1.00 0.00 H new ATOM 0 HB1 ALA A 111 115.320 11.240 9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.247 9.865 9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 111 115.168 10.633 10.865 1.00 0.00 H new ATOM 1309 N ASP A 112 118.682 9.244 10.227 1.00 0.00 N ATOM 1310 CA ASP A 112 120.015 9.809 10.590 1.00 0.00 C ATOM 1311 C ASP A 112 120.913 9.876 9.353 1.00 0.00 C ATOM 1312 O ASP A 112 120.657 9.229 8.355 1.00 0.00 O ATOM 1313 CB ASP A 112 120.593 8.835 11.618 1.00 0.00 C ATOM 1314 CG ASP A 112 121.758 9.498 12.355 1.00 0.00 C ATOM 1315 OD1 ASP A 112 121.615 9.755 13.539 1.00 0.00 O ATOM 1316 OD2 ASP A 112 122.773 9.739 11.723 1.00 0.00 O ATOM 0 H ASP A 112 118.630 8.225 10.233 1.00 0.00 H new ATOM 0 HA ASP A 112 119.940 10.822 10.986 1.00 0.00 H new ATOM 0 HB2 ASP A 112 119.821 8.540 12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 112 120.934 7.926 11.122 1.00 0.00 H new ATOM 1321 N VAL A 113 121.964 10.653 9.414 1.00 0.00 N ATOM 1322 CA VAL A 113 122.887 10.769 8.246 1.00 0.00 C ATOM 1323 C VAL A 113 124.228 10.100 8.572 1.00 0.00 C ATOM 1324 O VAL A 113 124.821 10.354 9.604 1.00 0.00 O ATOM 1325 CB VAL A 113 123.071 12.276 8.026 1.00 0.00 C ATOM 1326 CG1 VAL A 113 124.012 12.513 6.841 1.00 0.00 C ATOM 1327 CG2 VAL A 113 121.715 12.922 7.726 1.00 0.00 C ATOM 0 H VAL A 113 122.223 11.214 10.226 1.00 0.00 H new ATOM 0 HA VAL A 113 122.493 10.279 7.355 1.00 0.00 H new ATOM 0 HB VAL A 113 123.497 12.718 8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 113 124.141 13.584 6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 113 124.980 12.057 7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 113 123.586 12.066 5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 113 121.848 13.993 7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 113 121.290 12.475 6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 113 121.040 12.759 8.567 1.00 0.00 H new ATOM 1337 N ILE A 114 124.705 9.250 7.698 1.00 0.00 N ATOM 1338 CA ILE A 114 126.008 8.562 7.949 1.00 0.00 C ATOM 1339 C ILE A 114 126.843 8.524 6.652 1.00 0.00 C ATOM 1340 O ILE A 114 126.407 7.964 5.666 1.00 0.00 O ATOM 1341 CB ILE A 114 125.630 7.146 8.405 1.00 0.00 C ATOM 1342 CG1 ILE A 114 126.904 6.358 8.727 1.00 0.00 C ATOM 1343 CG2 ILE A 114 124.841 6.423 7.302 1.00 0.00 C ATOM 1344 CD1 ILE A 114 127.393 6.730 10.129 1.00 0.00 C ATOM 0 H ILE A 114 124.248 9.003 6.820 1.00 0.00 H new ATOM 0 HA ILE A 114 126.614 9.074 8.697 1.00 0.00 H new ATOM 0 HB ILE A 114 125.005 7.215 9.296 1.00 0.00 H new ATOM 0 HG12 ILE A 114 126.706 5.288 8.671 1.00 0.00 H new ATOM 0 HG13 ILE A 114 127.677 6.578 7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 114 124.580 5.420 7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 114 123.931 6.980 7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 114 125.452 6.355 6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 114 128.299 6.170 10.359 1.00 0.00 H new ATOM 0 HD12 ILE A 114 127.607 7.798 10.168 1.00 0.00 H new ATOM 0 HD13 ILE A 114 126.621 6.487 10.860 1.00 0.00 H new ATOM 1356 N PRO A 115 128.017 9.127 6.678 1.00 0.00 N ATOM 1357 CA PRO A 115 128.877 9.140 5.466 1.00 0.00 C ATOM 1358 C PRO A 115 129.492 7.759 5.224 1.00 0.00 C ATOM 1359 O PRO A 115 129.856 7.061 6.151 1.00 0.00 O ATOM 1360 CB PRO A 115 129.958 10.164 5.799 1.00 0.00 C ATOM 1361 CG PRO A 115 130.025 10.187 7.291 1.00 0.00 C ATOM 1362 CD PRO A 115 128.653 9.837 7.803 1.00 0.00 C ATOM 0 HA PRO A 115 128.326 9.388 4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 115 130.917 9.880 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.706 11.147 5.400 1.00 0.00 H new ATOM 0 HG2 PRO A 115 130.765 9.474 7.654 1.00 0.00 H new ATOM 0 HG3 PRO A 115 130.329 11.171 7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 115 128.708 9.207 8.691 1.00 0.00 H new ATOM 0 HD3 PRO A 115 128.091 10.729 8.079 1.00 0.00 H new ATOM 1370 N VAL A 116 129.612 7.369 3.981 1.00 0.00 N ATOM 1371 CA VAL A 116 130.206 6.036 3.659 1.00 0.00 C ATOM 1372 C VAL A 116 131.132 6.163 2.444 1.00 0.00 C ATOM 1373 O VAL A 116 130.752 6.699 1.420 1.00 0.00 O ATOM 1374 CB VAL A 116 129.011 5.132 3.339 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.504 3.724 2.995 1.00 0.00 C ATOM 1376 CG2 VAL A 116 128.082 5.057 4.555 1.00 0.00 C ATOM 0 H VAL A 116 129.323 7.919 3.172 1.00 0.00 H new ATOM 0 HA VAL A 116 130.803 5.635 4.478 1.00 0.00 H new ATOM 0 HB VAL A 116 128.469 5.546 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 116 128.651 3.085 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 116 130.163 3.771 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 116 130.050 3.312 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 116 127.233 4.414 4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.628 4.648 5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.724 6.056 4.801 1.00 0.00 H new ATOM 1386 N ARG A 117 132.342 5.675 2.553 1.00 0.00 N ATOM 1387 CA ARG A 117 133.297 5.764 1.407 1.00 0.00 C ATOM 1388 C ARG A 117 133.088 4.583 0.456 1.00 0.00 C ATOM 1389 O ARG A 117 133.062 3.440 0.871 1.00 0.00 O ATOM 1390 CB ARG A 117 134.685 5.707 2.043 1.00 0.00 C ATOM 1391 CG ARG A 117 135.745 6.027 0.988 1.00 0.00 C ATOM 1392 CD ARG A 117 135.597 7.484 0.540 1.00 0.00 C ATOM 1393 NE ARG A 117 136.937 7.857 -0.007 1.00 0.00 N ATOM 1394 CZ ARG A 117 137.896 8.308 0.777 1.00 0.00 C ATOM 1395 NH1 ARG A 117 137.791 8.263 2.086 1.00 0.00 N ATOM 1396 NH2 ARG A 117 138.977 8.807 0.242 1.00 0.00 N ATOM 0 H ARG A 117 132.710 5.218 3.387 1.00 0.00 H new ATOM 0 HA ARG A 117 133.158 6.672 0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.749 6.419 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 117 134.863 4.717 2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 117 136.742 5.861 1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.635 5.360 0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 117 134.819 7.588 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 117 135.318 8.127 1.374 1.00 0.00 H new ATOM 0 HE ARG A 117 137.113 7.761 -1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 117 136.953 7.872 2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 117 138.547 8.619 2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 117 139.073 8.845 -0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 117 139.726 9.159 0.839 1.00 0.00 H new ATOM 1410 N ARG A 118 132.939 4.855 -0.817 1.00 0.00 N ATOM 1411 CA ARG A 118 132.729 3.750 -1.803 1.00 0.00 C ATOM 1412 C ARG A 118 134.038 2.993 -2.038 1.00 0.00 C ATOM 1413 O ARG A 118 135.088 3.586 -2.200 1.00 0.00 O ATOM 1414 CB ARG A 118 132.267 4.437 -3.089 1.00 0.00 C ATOM 1415 CG ARG A 118 131.732 3.386 -4.064 1.00 0.00 C ATOM 1416 CD ARG A 118 131.266 4.073 -5.350 1.00 0.00 C ATOM 1417 NE ARG A 118 130.290 3.123 -5.971 1.00 0.00 N ATOM 1418 CZ ARG A 118 129.935 3.236 -7.234 1.00 0.00 C ATOM 1419 NH1 ARG A 118 130.260 4.290 -7.945 1.00 0.00 N ATOM 1420 NH2 ARG A 118 129.240 2.280 -7.789 1.00 0.00 N ATOM 0 H ARG A 118 132.954 5.794 -1.216 1.00 0.00 H new ATOM 0 HA ARG A 118 131.999 3.021 -1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 118 131.491 5.169 -2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 118 133.096 4.980 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 118 132.509 2.656 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 118 130.904 2.841 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 118 130.798 5.034 -5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 118 132.105 4.269 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 118 129.892 2.374 -5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 118 130.799 5.045 -7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 118 129.973 4.354 -8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 118 128.978 1.458 -7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 118 128.959 2.355 -8.767 1.00 0.00 H new ATOM 1434 N ARG A 119 133.977 1.687 -2.059 1.00 0.00 N ATOM 1435 CA ARG A 119 135.210 0.874 -2.284 1.00 0.00 C ATOM 1436 C ARG A 119 134.916 -0.278 -3.247 1.00 0.00 C ATOM 1437 O ARG A 119 135.563 -1.309 -3.206 1.00 0.00 O ATOM 1438 CB ARG A 119 135.586 0.335 -0.904 1.00 0.00 C ATOM 1439 CG ARG A 119 136.180 1.463 -0.058 1.00 0.00 C ATOM 1440 CD ARG A 119 137.635 1.699 -0.474 1.00 0.00 C ATOM 1441 NE ARG A 119 138.168 2.704 0.500 1.00 0.00 N ATOM 1442 CZ ARG A 119 139.378 3.208 0.368 1.00 0.00 C ATOM 1443 NH1 ARG A 119 140.088 3.009 -0.719 1.00 0.00 N ATOM 1444 NH2 ARG A 119 139.882 3.923 1.336 1.00 0.00 N ATOM 0 H ARG A 119 133.122 1.146 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 119 136.015 1.460 -2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 119 134.706 -0.078 -0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 119 136.306 -0.477 -1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 119 135.600 2.376 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 119 136.130 1.204 1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 119 138.209 0.773 -0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 119 137.696 2.072 -1.496 1.00 0.00 H new ATOM 0 HE ARG A 119 137.583 3.004 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 119 139.705 2.454 -1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 119 141.023 3.410 -0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 119 139.340 4.087 2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 119 140.818 4.318 1.244 1.00 0.00 H new ATOM 1458 N GLY A 120 133.945 -0.112 -4.109 1.00 0.00 N ATOM 1459 CA GLY A 120 133.603 -1.197 -5.076 1.00 0.00 C ATOM 1460 C GLY A 120 132.324 -0.826 -5.827 1.00 0.00 C ATOM 1461 O GLY A 120 131.748 0.224 -5.607 1.00 0.00 O ATOM 0 H GLY A 120 133.374 0.730 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 120 134.422 -1.342 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 120 133.466 -2.140 -4.547 1.00 0.00 H new ATOM 1465 N ASP A 121 131.878 -1.680 -6.712 1.00 0.00 N ATOM 1466 CA ASP A 121 130.633 -1.384 -7.487 1.00 0.00 C ATOM 1467 C ASP A 121 129.402 -1.455 -6.576 1.00 0.00 C ATOM 1468 O ASP A 121 128.490 -0.657 -6.694 1.00 0.00 O ATOM 1469 CB ASP A 121 130.563 -2.463 -8.575 1.00 0.00 C ATOM 1470 CG ASP A 121 130.531 -3.854 -7.934 1.00 0.00 C ATOM 1471 OD1 ASP A 121 129.564 -4.565 -8.158 1.00 0.00 O ATOM 1472 OD2 ASP A 121 131.471 -4.186 -7.234 1.00 0.00 O ATOM 0 H ASP A 121 132.322 -2.571 -6.933 1.00 0.00 H new ATOM 0 HA ASP A 121 130.650 -0.381 -7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 121 129.674 -2.316 -9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 121 131.424 -2.379 -9.238 1.00 0.00 H new ATOM 1477 N SER A 122 129.365 -2.406 -5.677 1.00 0.00 N ATOM 1478 CA SER A 122 128.188 -2.536 -4.765 1.00 0.00 C ATOM 1479 C SER A 122 128.640 -2.682 -3.307 1.00 0.00 C ATOM 1480 O SER A 122 127.967 -3.299 -2.503 1.00 0.00 O ATOM 1481 CB SER A 122 127.466 -3.799 -5.233 1.00 0.00 C ATOM 1482 OG SER A 122 128.306 -4.926 -5.022 1.00 0.00 O ATOM 0 H SER A 122 130.100 -3.099 -5.535 1.00 0.00 H new ATOM 0 HA SER A 122 127.545 -1.656 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 122 126.531 -3.921 -4.686 1.00 0.00 H new ATOM 0 HB3 SER A 122 127.209 -3.715 -6.289 1.00 0.00 H new ATOM 0 HG SER A 122 127.845 -5.738 -5.320 1.00 0.00 H new ATOM 1488 N ARG A 123 129.772 -2.120 -2.962 1.00 0.00 N ATOM 1489 CA ARG A 123 130.267 -2.228 -1.553 1.00 0.00 C ATOM 1490 C ARG A 123 131.058 -0.971 -1.168 1.00 0.00 C ATOM 1491 O ARG A 123 131.520 -0.234 -2.018 1.00 0.00 O ATOM 1492 CB ARG A 123 131.175 -3.467 -1.538 1.00 0.00 C ATOM 1493 CG ARG A 123 130.652 -4.484 -0.520 1.00 0.00 C ATOM 1494 CD ARG A 123 131.404 -4.321 0.803 1.00 0.00 C ATOM 1495 NE ARG A 123 132.655 -5.126 0.640 1.00 0.00 N ATOM 1496 CZ ARG A 123 133.716 -4.902 1.389 1.00 0.00 C ATOM 1497 NH1 ARG A 123 133.661 -4.109 2.435 1.00 0.00 N ATOM 1498 NH2 ARG A 123 134.845 -5.483 1.085 1.00 0.00 N ATOM 0 H ARG A 123 130.374 -1.592 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 123 129.450 -2.317 -0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 123 131.208 -3.917 -2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.195 -3.178 -1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 123 129.583 -4.339 -0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 123 130.783 -5.496 -0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 123 131.632 -3.274 1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 123 130.809 -4.682 1.642 1.00 0.00 H new ATOM 0 HE ARG A 123 132.687 -5.863 -0.065 1.00 0.00 H new ATOM 0 HH11 ARG A 123 132.784 -3.651 2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 123 134.496 -3.951 3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 123 134.898 -6.102 0.276 1.00 0.00 H new ATOM 0 HH22 ARG A 123 135.674 -5.318 1.657 1.00 0.00 H new ATOM 1512 N GLY A 124 131.214 -0.728 0.110 1.00 0.00 N ATOM 1513 CA GLY A 124 131.972 0.476 0.564 1.00 0.00 C ATOM 1514 C GLY A 124 132.430 0.280 2.010 1.00 0.00 C ATOM 1515 O GLY A 124 132.326 -0.800 2.561 1.00 0.00 O ATOM 0 H GLY A 124 130.847 -1.314 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.834 0.640 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 124 131.344 1.363 0.488 1.00 0.00 H new ATOM 1519 N SER A 125 132.936 1.319 2.627 1.00 0.00 N ATOM 1520 CA SER A 125 133.404 1.204 4.041 1.00 0.00 C ATOM 1521 C SER A 125 132.739 2.276 4.905 1.00 0.00 C ATOM 1522 O SER A 125 132.178 3.231 4.400 1.00 0.00 O ATOM 1523 CB SER A 125 134.914 1.429 3.982 1.00 0.00 C ATOM 1524 OG SER A 125 135.172 2.764 3.565 1.00 0.00 O ATOM 0 H SER A 125 133.045 2.244 2.210 1.00 0.00 H new ATOM 0 HA SER A 125 133.153 0.238 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 125 135.359 1.249 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.372 0.724 3.288 1.00 0.00 H new ATOM 0 HG SER A 125 136.140 2.914 3.527 1.00 0.00 H new ATOM 1530 N LEU A 126 132.797 2.123 6.203 1.00 0.00 N ATOM 1531 CA LEU A 126 132.170 3.130 7.110 1.00 0.00 C ATOM 1532 C LEU A 126 133.229 3.745 8.029 1.00 0.00 C ATOM 1533 O LEU A 126 133.955 3.043 8.709 1.00 0.00 O ATOM 1534 CB LEU A 126 131.143 2.337 7.921 1.00 0.00 C ATOM 1535 CG LEU A 126 130.390 3.280 8.860 1.00 0.00 C ATOM 1536 CD1 LEU A 126 129.515 4.228 8.039 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.505 2.459 9.801 1.00 0.00 C ATOM 0 H LEU A 126 133.253 1.342 6.675 1.00 0.00 H new ATOM 0 HA LEU A 126 131.711 3.955 6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.442 1.839 7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.643 1.558 8.496 1.00 0.00 H new ATOM 0 HG LEU A 126 131.105 3.860 9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 126 128.979 4.900 8.709 1.00 0.00 H new ATOM 0 HD12 LEU A 126 130.143 4.812 7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 126 128.799 3.649 7.456 1.00 0.00 H new ATOM 0 HD21 LEU A 126 128.967 3.129 10.472 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.790 1.881 9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 126 130.127 1.782 10.387 1.00 0.00 H new ATOM 1549 N LEU A 127 133.322 5.051 8.051 1.00 0.00 N ATOM 1550 CA LEU A 127 134.337 5.722 8.926 1.00 0.00 C ATOM 1551 C LEU A 127 134.096 5.358 10.393 1.00 0.00 C ATOM 1552 O LEU A 127 135.003 4.957 11.098 1.00 0.00 O ATOM 1553 CB LEU A 127 134.128 7.223 8.708 1.00 0.00 C ATOM 1554 CG LEU A 127 134.826 7.657 7.419 1.00 0.00 C ATOM 1555 CD1 LEU A 127 133.876 7.469 6.234 1.00 0.00 C ATOM 1556 CD2 LEU A 127 135.221 9.132 7.525 1.00 0.00 C ATOM 0 H LEU A 127 132.740 5.683 7.502 1.00 0.00 H new ATOM 0 HA LEU A 127 135.354 5.413 8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 127 133.063 7.447 8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 127 134.526 7.782 9.555 1.00 0.00 H new ATOM 0 HG LEU A 127 135.719 7.050 7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 127 134.374 7.779 5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 127 133.593 6.419 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 127 132.983 8.075 6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 127 135.719 9.442 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 127 134.328 9.738 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 127 135.898 9.268 8.368 1.00 0.00 H new ATOM 1568 N SER A 128 132.879 5.493 10.854 1.00 0.00 N ATOM 1569 CA SER A 128 132.566 5.155 12.274 1.00 0.00 C ATOM 1570 C SER A 128 132.126 3.684 12.382 1.00 0.00 C ATOM 1571 O SER A 128 131.086 3.324 11.867 1.00 0.00 O ATOM 1572 CB SER A 128 131.413 6.084 12.651 1.00 0.00 C ATOM 1573 OG SER A 128 131.926 7.381 12.930 1.00 0.00 O ATOM 0 H SER A 128 132.086 5.824 10.305 1.00 0.00 H new ATOM 0 HA SER A 128 133.427 5.281 12.931 1.00 0.00 H new ATOM 0 HB2 SER A 128 130.690 6.134 11.837 1.00 0.00 H new ATOM 0 HB3 SER A 128 130.886 5.694 13.522 1.00 0.00 H new ATOM 0 HG SER A 128 131.188 7.980 13.171 1.00 0.00 H new ATOM 1579 N PRO A 129 132.925 2.867 13.043 1.00 0.00 N ATOM 1580 CA PRO A 129 132.572 1.438 13.188 1.00 0.00 C ATOM 1581 C PRO A 129 131.435 1.264 14.198 1.00 0.00 C ATOM 1582 O PRO A 129 131.629 1.401 15.391 1.00 0.00 O ATOM 1583 CB PRO A 129 133.857 0.790 13.695 1.00 0.00 C ATOM 1584 CG PRO A 129 134.604 1.891 14.371 1.00 0.00 C ATOM 1585 CD PRO A 129 134.198 3.180 13.704 1.00 0.00 C ATOM 0 HA PRO A 129 132.220 0.993 12.257 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.642 -0.024 14.387 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.436 0.366 12.874 1.00 0.00 H new ATOM 0 HG2 PRO A 129 134.370 1.918 15.435 1.00 0.00 H new ATOM 0 HG3 PRO A 129 135.679 1.736 14.285 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.081 3.983 14.431 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.948 3.508 12.985 1.00 0.00 H new ATOM 1593 N ARG A 130 130.253 0.958 13.726 1.00 0.00 N ATOM 1594 CA ARG A 130 129.096 0.770 14.651 1.00 0.00 C ATOM 1595 C ARG A 130 128.681 -0.710 14.677 1.00 0.00 C ATOM 1596 O ARG A 130 128.848 -1.404 13.697 1.00 0.00 O ATOM 1597 CB ARG A 130 127.978 1.633 14.069 1.00 0.00 C ATOM 1598 CG ARG A 130 128.412 3.101 14.073 1.00 0.00 C ATOM 1599 CD ARG A 130 127.276 3.972 13.534 1.00 0.00 C ATOM 1600 NE ARG A 130 127.937 5.236 13.088 1.00 0.00 N ATOM 1601 CZ ARG A 130 128.183 6.215 13.934 1.00 0.00 C ATOM 1602 NH1 ARG A 130 128.043 6.054 15.230 1.00 0.00 N ATOM 1603 NH2 ARG A 130 128.576 7.372 13.475 1.00 0.00 N ATOM 0 H ARG A 130 130.040 0.830 12.737 1.00 0.00 H new ATOM 0 HA ARG A 130 129.333 1.053 15.677 1.00 0.00 H new ATOM 0 HB2 ARG A 130 127.749 1.313 13.052 1.00 0.00 H new ATOM 0 HB3 ARG A 130 127.067 1.510 14.655 1.00 0.00 H new ATOM 0 HG2 ARG A 130 128.673 3.411 15.085 1.00 0.00 H new ATOM 0 HG3 ARG A 130 129.304 3.229 13.460 1.00 0.00 H new ATOM 0 HD2 ARG A 130 126.761 3.483 12.707 1.00 0.00 H new ATOM 0 HD3 ARG A 130 126.529 4.167 14.303 1.00 0.00 H new ATOM 0 HE ARG A 130 128.203 5.343 12.109 1.00 0.00 H new ATOM 0 HH11 ARG A 130 127.737 5.155 15.602 1.00 0.00 H new ATOM 0 HH12 ARG A 130 128.240 6.828 15.864 1.00 0.00 H new ATOM 0 HH21 ARG A 130 128.690 7.510 12.471 1.00 0.00 H new ATOM 0 HH22 ARG A 130 128.770 8.138 14.120 1.00 0.00 H new ATOM 1617 N PRO A 131 128.158 -1.154 15.800 1.00 0.00 N ATOM 1618 CA PRO A 131 127.734 -2.574 15.920 1.00 0.00 C ATOM 1619 C PRO A 131 126.481 -2.842 15.083 1.00 0.00 C ATOM 1620 O PRO A 131 125.661 -1.967 14.881 1.00 0.00 O ATOM 1621 CB PRO A 131 127.441 -2.740 17.409 1.00 0.00 C ATOM 1622 CG PRO A 131 127.122 -1.363 17.896 1.00 0.00 C ATOM 1623 CD PRO A 131 127.908 -0.403 17.042 1.00 0.00 C ATOM 0 HA PRO A 131 128.489 -3.272 15.558 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.605 -3.420 17.573 1.00 0.00 H new ATOM 0 HB3 PRO A 131 128.299 -3.156 17.936 1.00 0.00 H new ATOM 0 HG2 PRO A 131 126.053 -1.164 17.817 1.00 0.00 H new ATOM 0 HG3 PRO A 131 127.390 -1.253 18.947 1.00 0.00 H new ATOM 0 HD2 PRO A 131 127.347 0.511 16.849 1.00 0.00 H new ATOM 0 HD3 PRO A 131 128.840 -0.109 17.525 1.00 0.00 H new ATOM 1631 N VAL A 132 126.324 -4.055 14.599 1.00 0.00 N ATOM 1632 CA VAL A 132 125.115 -4.399 13.775 1.00 0.00 C ATOM 1633 C VAL A 132 123.835 -3.987 14.529 1.00 0.00 C ATOM 1634 O VAL A 132 122.833 -3.660 13.926 1.00 0.00 O ATOM 1635 CB VAL A 132 125.195 -5.935 13.576 1.00 0.00 C ATOM 1636 CG1 VAL A 132 123.860 -6.498 13.047 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.315 -6.264 12.571 1.00 0.00 C ATOM 0 H VAL A 132 126.981 -4.822 14.739 1.00 0.00 H new ATOM 0 HA VAL A 132 125.088 -3.878 12.818 1.00 0.00 H new ATOM 0 HB VAL A 132 125.407 -6.394 14.542 1.00 0.00 H new ATOM 0 HG11 VAL A 132 123.946 -7.577 12.917 1.00 0.00 H new ATOM 0 HG12 VAL A 132 123.065 -6.281 13.761 1.00 0.00 H new ATOM 0 HG13 VAL A 132 123.624 -6.035 12.089 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.372 -7.343 12.430 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.099 -5.785 11.616 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.267 -5.897 12.954 1.00 0.00 H new ATOM 1647 N SER A 133 123.872 -4.010 15.837 1.00 0.00 N ATOM 1648 CA SER A 133 122.663 -3.632 16.640 1.00 0.00 C ATOM 1649 C SER A 133 122.252 -2.178 16.374 1.00 0.00 C ATOM 1650 O SER A 133 121.078 -1.873 16.265 1.00 0.00 O ATOM 1651 CB SER A 133 123.082 -3.806 18.100 1.00 0.00 C ATOM 1652 OG SER A 133 121.962 -3.567 18.942 1.00 0.00 O ATOM 0 H SER A 133 124.689 -4.275 16.388 1.00 0.00 H new ATOM 0 HA SER A 133 121.803 -4.248 16.379 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.465 -4.813 18.263 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.889 -3.115 18.344 1.00 0.00 H new ATOM 0 HG SER A 133 122.227 -3.679 19.879 1.00 0.00 H new ATOM 1658 N TYR A 134 123.201 -1.281 16.275 1.00 0.00 N ATOM 1659 CA TYR A 134 122.857 0.154 16.020 1.00 0.00 C ATOM 1660 C TYR A 134 122.275 0.304 14.613 1.00 0.00 C ATOM 1661 O TYR A 134 121.336 1.044 14.389 1.00 0.00 O ATOM 1662 CB TYR A 134 124.182 0.914 16.141 1.00 0.00 C ATOM 1663 CG TYR A 134 123.940 2.392 15.945 1.00 0.00 C ATOM 1664 CD1 TYR A 134 123.352 3.150 16.964 1.00 0.00 C ATOM 1665 CD2 TYR A 134 124.305 3.001 14.741 1.00 0.00 C ATOM 1666 CE1 TYR A 134 123.128 4.520 16.778 1.00 0.00 C ATOM 1667 CE2 TYR A 134 124.082 4.370 14.553 1.00 0.00 C ATOM 1668 CZ TYR A 134 123.493 5.130 15.571 1.00 0.00 C ATOM 1669 OH TYR A 134 123.272 6.480 15.386 1.00 0.00 O ATOM 0 H TYR A 134 124.198 -1.479 16.359 1.00 0.00 H new ATOM 0 HA TYR A 134 122.112 0.534 16.719 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.627 0.735 17.120 1.00 0.00 H new ATOM 0 HB3 TYR A 134 124.891 0.550 15.397 1.00 0.00 H new ATOM 0 HD1 TYR A 134 123.071 2.678 17.894 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.759 2.415 13.956 1.00 0.00 H new ATOM 0 HE1 TYR A 134 122.674 5.105 17.564 1.00 0.00 H new ATOM 0 HE2 TYR A 134 124.364 4.840 13.623 1.00 0.00 H new ATOM 0 HH TYR A 134 123.584 6.743 14.495 1.00 0.00 H new ATOM 1679 N LEU A 135 122.836 -0.400 13.670 1.00 0.00 N ATOM 1680 CA LEU A 135 122.346 -0.327 12.264 1.00 0.00 C ATOM 1681 C LEU A 135 121.321 -1.442 11.999 1.00 0.00 C ATOM 1682 O LEU A 135 121.071 -1.801 10.864 1.00 0.00 O ATOM 1683 CB LEU A 135 123.609 -0.540 11.423 1.00 0.00 C ATOM 1684 CG LEU A 135 123.345 -0.199 9.950 1.00 0.00 C ATOM 1685 CD1 LEU A 135 122.947 1.273 9.815 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.618 -0.451 9.142 1.00 0.00 C ATOM 0 H LEU A 135 123.624 -1.031 13.815 1.00 0.00 H new ATOM 0 HA LEU A 135 121.845 0.614 12.035 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.417 0.084 11.807 1.00 0.00 H new ATOM 0 HB3 LEU A 135 123.938 -1.576 11.508 1.00 0.00 H new ATOM 0 HG LEU A 135 122.534 -0.825 9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 135 122.762 1.505 8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 135 122.042 1.460 10.393 1.00 0.00 H new ATOM 0 HD13 LEU A 135 123.753 1.904 10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.437 -0.211 8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.422 0.177 9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 135 124.903 -1.499 9.230 1.00 0.00 H new ATOM 1698 N LYS A 136 120.746 -2.011 13.036 1.00 0.00 N ATOM 1699 CA LYS A 136 119.769 -3.118 12.821 1.00 0.00 C ATOM 1700 C LYS A 136 118.391 -2.619 12.465 1.00 0.00 C ATOM 1701 O LYS A 136 117.723 -1.944 13.225 1.00 0.00 O ATOM 1702 CB LYS A 136 119.765 -3.947 14.103 1.00 0.00 C ATOM 1703 CG LYS A 136 119.422 -5.388 13.738 1.00 0.00 C ATOM 1704 CD LYS A 136 119.813 -6.323 14.880 1.00 0.00 C ATOM 1705 CE LYS A 136 119.837 -7.762 14.365 1.00 0.00 C ATOM 1706 NZ LYS A 136 118.492 -8.310 14.696 1.00 0.00 N ATOM 0 H LYS A 136 120.912 -1.757 14.010 1.00 0.00 H new ATOM 0 HA LYS A 136 120.068 -3.724 11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.739 -3.900 14.589 1.00 0.00 H new ATOM 0 HB3 LYS A 136 119.036 -3.550 14.810 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.355 -5.476 13.534 1.00 0.00 H new ATOM 0 HG3 LYS A 136 119.946 -5.675 12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 136 120.792 -6.048 15.272 1.00 0.00 H new ATOM 0 HD3 LYS A 136 119.103 -6.230 15.702 1.00 0.00 H new ATOM 0 HE2 LYS A 136 120.024 -7.794 13.292 1.00 0.00 H new ATOM 0 HE3 LYS A 136 120.628 -8.340 14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 118.430 -9.297 14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 118.345 -8.272 15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 117.760 -7.744 14.221 1.00 0.00 H new ATOM 1720 N GLY A 137 117.973 -2.978 11.281 1.00 0.00 N ATOM 1721 CA GLY A 137 116.623 -2.557 10.804 1.00 0.00 C ATOM 1722 C GLY A 137 116.763 -1.363 9.868 1.00 0.00 C ATOM 1723 O GLY A 137 115.952 -0.456 9.876 1.00 0.00 O ATOM 0 H GLY A 137 118.508 -3.545 10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 137 116.135 -3.383 10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 137 115.991 -2.295 11.653 1.00 0.00 H new ATOM 1727 N SER A 138 117.787 -1.361 9.058 1.00 0.00 N ATOM 1728 CA SER A 138 117.989 -0.232 8.108 1.00 0.00 C ATOM 1729 C SER A 138 117.970 -0.739 6.663 1.00 0.00 C ATOM 1730 O SER A 138 118.477 -0.085 5.770 1.00 0.00 O ATOM 1731 CB SER A 138 119.363 0.341 8.456 1.00 0.00 C ATOM 1732 OG SER A 138 119.503 0.400 9.870 1.00 0.00 O ATOM 0 H SER A 138 118.494 -2.095 9.014 1.00 0.00 H new ATOM 0 HA SER A 138 117.202 0.517 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 138 120.149 -0.281 8.027 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.474 1.336 8.026 1.00 0.00 H new ATOM 0 HG SER A 138 119.955 -0.409 10.188 1.00 0.00 H new ATOM 1738 N SER A 139 117.385 -1.892 6.419 1.00 0.00 N ATOM 1739 CA SER A 139 117.340 -2.416 5.020 1.00 0.00 C ATOM 1740 C SER A 139 116.353 -1.586 4.195 1.00 0.00 C ATOM 1741 O SER A 139 115.229 -1.366 4.602 1.00 0.00 O ATOM 1742 CB SER A 139 116.855 -3.858 5.141 1.00 0.00 C ATOM 1743 OG SER A 139 117.489 -4.476 6.254 1.00 0.00 O ATOM 0 H SER A 139 116.943 -2.484 7.122 1.00 0.00 H new ATOM 0 HA SER A 139 118.309 -2.362 4.525 1.00 0.00 H new ATOM 0 HB2 SER A 139 115.772 -3.880 5.266 1.00 0.00 H new ATOM 0 HB3 SER A 139 117.082 -4.408 4.227 1.00 0.00 H new ATOM 0 HG SER A 139 117.178 -5.402 6.335 1.00 0.00 H new ATOM 1749 N GLY A 140 116.769 -1.120 3.045 1.00 0.00 N ATOM 1750 CA GLY A 140 115.858 -0.295 2.196 1.00 0.00 C ATOM 1751 C GLY A 140 116.339 1.159 2.182 1.00 0.00 C ATOM 1752 O GLY A 140 116.058 1.901 1.260 1.00 0.00 O ATOM 0 H GLY A 140 117.700 -1.275 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.835 -0.690 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.840 -0.347 2.581 1.00 0.00 H new ATOM 1756 N GLY A 141 117.064 1.574 3.196 1.00 0.00 N ATOM 1757 CA GLY A 141 117.567 2.983 3.245 1.00 0.00 C ATOM 1758 C GLY A 141 118.399 3.277 1.982 1.00 0.00 C ATOM 1759 O GLY A 141 119.473 2.732 1.824 1.00 0.00 O ATOM 0 H GLY A 141 117.329 0.995 3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 141 116.729 3.677 3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 141 118.176 3.132 4.137 1.00 0.00 H new ATOM 1763 N PRO A 142 117.881 4.120 1.110 1.00 0.00 N ATOM 1764 CA PRO A 142 118.618 4.445 -0.137 1.00 0.00 C ATOM 1765 C PRO A 142 119.842 5.315 0.164 1.00 0.00 C ATOM 1766 O PRO A 142 119.845 6.102 1.092 1.00 0.00 O ATOM 1767 CB PRO A 142 117.598 5.212 -0.974 1.00 0.00 C ATOM 1768 CG PRO A 142 116.639 5.788 0.017 1.00 0.00 C ATOM 1769 CD PRO A 142 116.597 4.840 1.186 1.00 0.00 C ATOM 0 HA PRO A 142 118.998 3.559 -0.645 1.00 0.00 H new ATOM 0 HB2 PRO A 142 118.078 5.996 -1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 142 117.090 4.553 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 142 116.961 6.779 0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.649 5.901 -0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.495 5.375 2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.751 4.156 1.115 1.00 0.00 H new ATOM 1777 N LEU A 143 120.877 5.178 -0.625 1.00 0.00 N ATOM 1778 CA LEU A 143 122.107 5.992 -0.410 1.00 0.00 C ATOM 1779 C LEU A 143 122.114 7.175 -1.381 1.00 0.00 C ATOM 1780 O LEU A 143 122.102 6.995 -2.585 1.00 0.00 O ATOM 1781 CB LEU A 143 123.270 5.042 -0.702 1.00 0.00 C ATOM 1782 CG LEU A 143 123.401 4.031 0.437 1.00 0.00 C ATOM 1783 CD1 LEU A 143 122.384 2.905 0.239 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.816 3.447 0.440 1.00 0.00 C ATOM 0 H LEU A 143 120.921 4.532 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 143 122.170 6.402 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 143 123.101 4.523 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 143 124.196 5.606 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 143 123.211 4.528 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 143 122.477 2.184 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 143 121.376 3.321 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 143 122.573 2.407 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 143 124.910 2.726 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 143 125.006 2.950 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 143 125.540 4.249 0.581 1.00 0.00 H new ATOM 1796 N LEU A 144 122.122 8.379 -0.868 1.00 0.00 N ATOM 1797 CA LEU A 144 122.116 9.577 -1.760 1.00 0.00 C ATOM 1798 C LEU A 144 123.494 10.242 -1.785 1.00 0.00 C ATOM 1799 O LEU A 144 124.006 10.668 -0.766 1.00 0.00 O ATOM 1800 CB LEU A 144 121.083 10.521 -1.146 1.00 0.00 C ATOM 1801 CG LEU A 144 120.394 11.317 -2.254 1.00 0.00 C ATOM 1802 CD1 LEU A 144 119.264 10.480 -2.857 1.00 0.00 C ATOM 1803 CD2 LEU A 144 119.816 12.607 -1.669 1.00 0.00 C ATOM 0 H LEU A 144 122.132 8.584 0.131 1.00 0.00 H new ATOM 0 HA LEU A 144 121.876 9.315 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 144 120.345 9.951 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 144 121.567 11.200 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 144 121.119 11.562 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 144 118.773 11.048 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 144 119.675 9.560 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 144 118.539 10.235 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 144 119.324 13.176 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 144 119.091 12.362 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 144 120.620 13.204 -1.239 1.00 0.00 H new ATOM 1815 N CYS A 145 124.087 10.341 -2.945 1.00 0.00 N ATOM 1816 CA CYS A 145 125.432 10.991 -3.055 1.00 0.00 C ATOM 1817 C CYS A 145 125.323 12.477 -2.670 1.00 0.00 C ATOM 1818 O CYS A 145 124.235 13.017 -2.635 1.00 0.00 O ATOM 1819 CB CYS A 145 125.846 10.825 -4.527 1.00 0.00 C ATOM 1820 SG CYS A 145 124.636 11.620 -5.620 1.00 0.00 S ATOM 0 H CYS A 145 123.699 10.000 -3.825 1.00 0.00 H new ATOM 0 HA CYS A 145 126.169 10.545 -2.388 1.00 0.00 H new ATOM 0 HB2 CYS A 145 126.831 11.263 -4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 145 125.925 9.766 -4.772 1.00 0.00 H new ATOM 0 HG CYS A 145 123.458 11.116 -5.402 1.00 0.00 H new ATOM 1825 N PRO A 146 126.448 13.101 -2.389 1.00 0.00 N ATOM 1826 CA PRO A 146 126.431 14.538 -2.007 1.00 0.00 C ATOM 1827 C PRO A 146 125.975 15.418 -3.180 1.00 0.00 C ATOM 1828 O PRO A 146 125.626 16.569 -2.995 1.00 0.00 O ATOM 1829 CB PRO A 146 127.883 14.827 -1.627 1.00 0.00 C ATOM 1830 CG PRO A 146 128.677 13.794 -2.357 1.00 0.00 C ATOM 1831 CD PRO A 146 127.818 12.560 -2.402 1.00 0.00 C ATOM 0 HA PRO A 146 125.734 14.752 -1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 146 128.177 15.834 -1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 146 128.033 14.754 -0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 146 128.925 14.133 -3.363 1.00 0.00 H new ATOM 0 HG3 PRO A 146 129.619 13.594 -1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 146 128.009 11.969 -3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 146 128.002 11.910 -1.547 1.00 0.00 H new ATOM 1839 N SER A 147 125.966 14.888 -4.381 1.00 0.00 N ATOM 1840 CA SER A 147 125.522 15.699 -5.556 1.00 0.00 C ATOM 1841 C SER A 147 124.012 15.953 -5.480 1.00 0.00 C ATOM 1842 O SER A 147 123.515 16.939 -5.992 1.00 0.00 O ATOM 1843 CB SER A 147 125.864 14.857 -6.785 1.00 0.00 C ATOM 1844 OG SER A 147 127.152 15.224 -7.263 1.00 0.00 O ATOM 0 H SER A 147 126.247 13.931 -4.596 1.00 0.00 H new ATOM 0 HA SER A 147 126.010 16.673 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 147 125.846 13.797 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 147 125.117 15.010 -7.564 1.00 0.00 H new ATOM 0 HG SER A 147 127.646 14.419 -7.523 1.00 0.00 H new ATOM 1850 N GLY A 148 123.281 15.073 -4.838 1.00 0.00 N ATOM 1851 CA GLY A 148 121.804 15.262 -4.721 1.00 0.00 C ATOM 1852 C GLY A 148 121.080 14.254 -5.615 1.00 0.00 C ATOM 1853 O GLY A 148 120.128 14.590 -6.295 1.00 0.00 O ATOM 0 H GLY A 148 123.646 14.232 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 148 121.493 15.132 -3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 148 121.534 16.278 -5.010 1.00 0.00 H new ATOM 1857 N HIS A 149 121.521 13.021 -5.617 1.00 0.00 N ATOM 1858 CA HIS A 149 120.858 11.983 -6.465 1.00 0.00 C ATOM 1859 C HIS A 149 120.872 10.627 -5.752 1.00 0.00 C ATOM 1860 O HIS A 149 121.672 10.390 -4.866 1.00 0.00 O ATOM 1861 CB HIS A 149 121.690 11.924 -7.747 1.00 0.00 C ATOM 1862 CG HIS A 149 121.483 13.187 -8.539 1.00 0.00 C ATOM 1863 ND1 HIS A 149 122.047 14.434 -8.441 1.00 0.00 N flip ATOM 1864 CD2 HIS A 149 120.589 13.258 -9.597 1.00 0.00 C flip ATOM 1865 CE1 HIS A 149 121.513 15.269 -9.419 1.00 0.00 C flip ATOM 1866 NE2 HIS A 149 120.641 14.510 -10.087 1.00 0.00 N flip ATOM 0 H HIS A 149 122.313 12.688 -5.067 1.00 0.00 H new ATOM 0 HA HIS A 149 119.814 12.223 -6.668 1.00 0.00 H new ATOM 0 HB2 HIS A 149 122.746 11.804 -7.503 1.00 0.00 H new ATOM 0 HB3 HIS A 149 121.400 11.058 -8.342 1.00 0.00 H new ATOM 0 HD2 HIS A 149 119.965 12.455 -9.961 1.00 0.00 H new ATOM 0 HE1 HIS A 149 121.752 16.307 -9.598 1.00 0.00 H new ATOM 0 HE2 HIS A 149 120.082 14.840 -10.874 1.00 0.00 H new ATOM 1874 N ALA A 150 119.989 9.739 -6.134 1.00 0.00 N ATOM 1875 CA ALA A 150 119.942 8.392 -5.486 1.00 0.00 C ATOM 1876 C ALA A 150 121.059 7.499 -6.034 1.00 0.00 C ATOM 1877 O ALA A 150 121.453 7.618 -7.179 1.00 0.00 O ATOM 1878 CB ALA A 150 118.571 7.821 -5.851 1.00 0.00 C ATOM 0 H ALA A 150 119.297 9.889 -6.868 1.00 0.00 H new ATOM 0 HA ALA A 150 120.084 8.450 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 150 118.460 6.830 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 150 117.790 8.478 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.484 7.748 -6.935 1.00 0.00 H new ATOM 1884 N VAL A 151 121.570 6.607 -5.222 1.00 0.00 N ATOM 1885 CA VAL A 151 122.665 5.702 -5.688 1.00 0.00 C ATOM 1886 C VAL A 151 122.215 4.239 -5.604 1.00 0.00 C ATOM 1887 O VAL A 151 122.139 3.549 -6.603 1.00 0.00 O ATOM 1888 CB VAL A 151 123.837 5.963 -4.734 1.00 0.00 C ATOM 1889 CG1 VAL A 151 125.033 5.096 -5.138 1.00 0.00 C ATOM 1890 CG2 VAL A 151 124.237 7.441 -4.800 1.00 0.00 C ATOM 0 H VAL A 151 121.276 6.467 -4.256 1.00 0.00 H new ATOM 0 HA VAL A 151 122.940 5.890 -6.726 1.00 0.00 H new ATOM 0 HB VAL A 151 123.533 5.713 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.864 5.284 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.753 4.044 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 151 125.334 5.343 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 151 125.070 7.623 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 151 124.537 7.692 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 151 123.389 8.061 -4.508 1.00 0.00 H new ATOM 1900 N GLY A 152 121.923 3.764 -4.419 1.00 0.00 N ATOM 1901 CA GLY A 152 121.484 2.344 -4.266 1.00 0.00 C ATOM 1902 C GLY A 152 120.671 2.189 -2.979 1.00 0.00 C ATOM 1903 O GLY A 152 120.124 3.142 -2.463 1.00 0.00 O ATOM 0 H GLY A 152 121.970 4.298 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 152 120.883 2.045 -5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 152 122.353 1.686 -4.240 1.00 0.00 H new ATOM 1907 N ILE A 153 120.587 0.988 -2.464 1.00 0.00 N ATOM 1908 CA ILE A 153 119.810 0.747 -1.209 1.00 0.00 C ATOM 1909 C ILE A 153 120.612 -0.168 -0.272 1.00 0.00 C ATOM 1910 O ILE A 153 121.312 -1.058 -0.717 1.00 0.00 O ATOM 1911 CB ILE A 153 118.514 0.059 -1.672 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.686 1.035 -2.511 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.683 -0.375 -0.460 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.532 0.284 -3.177 1.00 0.00 C ATOM 0 H ILE A 153 121.027 0.158 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 153 119.603 1.664 -0.658 1.00 0.00 H new ATOM 0 HB ILE A 153 118.777 -0.816 -2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 153 117.298 1.834 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 153 118.314 1.504 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.769 -0.860 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 153 118.260 -1.073 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.428 0.500 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.942 0.979 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 153 116.931 -0.500 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 153 115.899 -0.163 -2.411 1.00 0.00 H new ATOM 1926 N PHE A 154 120.506 0.039 1.022 1.00 0.00 N ATOM 1927 CA PHE A 154 121.255 -0.831 1.980 1.00 0.00 C ATOM 1928 C PHE A 154 120.773 -2.272 1.847 1.00 0.00 C ATOM 1929 O PHE A 154 119.663 -2.522 1.412 1.00 0.00 O ATOM 1930 CB PHE A 154 120.939 -0.297 3.381 1.00 0.00 C ATOM 1931 CG PHE A 154 121.902 -0.904 4.382 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.285 -0.874 4.140 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.414 -1.504 5.550 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.172 -1.441 5.062 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.304 -2.068 6.472 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.682 -2.037 6.229 1.00 0.00 C ATOM 0 H PHE A 154 119.936 0.768 1.451 1.00 0.00 H new ATOM 0 HA PHE A 154 122.327 -0.816 1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.021 0.790 3.395 1.00 0.00 H new ATOM 0 HB3 PHE A 154 119.912 -0.543 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.665 -0.412 3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.351 -1.532 5.739 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.235 -1.418 4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 154 121.926 -2.528 7.373 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.366 -2.473 6.942 1.00 0.00 H new ATOM 1946 N ARG A 155 121.596 -3.220 2.208 1.00 0.00 N ATOM 1947 CA ARG A 155 121.180 -4.645 2.092 1.00 0.00 C ATOM 1948 C ARG A 155 121.664 -5.454 3.292 1.00 0.00 C ATOM 1949 O ARG A 155 120.874 -5.940 4.083 1.00 0.00 O ATOM 1950 CB ARG A 155 121.838 -5.142 0.809 1.00 0.00 C ATOM 1951 CG ARG A 155 121.172 -6.450 0.382 1.00 0.00 C ATOM 1952 CD ARG A 155 121.456 -6.724 -1.100 1.00 0.00 C ATOM 1953 NE ARG A 155 120.933 -5.519 -1.832 1.00 0.00 N ATOM 1954 CZ ARG A 155 119.645 -5.225 -1.847 1.00 0.00 C ATOM 1955 NH1 ARG A 155 118.750 -6.064 -1.397 1.00 0.00 N ATOM 1956 NH2 ARG A 155 119.256 -4.070 -2.314 1.00 0.00 N ATOM 0 H ARG A 155 122.535 -3.069 2.577 1.00 0.00 H new ATOM 0 HA ARG A 155 120.095 -4.752 2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.739 -4.395 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 155 122.905 -5.298 0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 155 121.546 -7.273 0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 155 120.097 -6.392 0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 155 122.523 -6.860 -1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 155 120.958 -7.634 -1.434 1.00 0.00 H new ATOM 0 HE ARG A 155 121.588 -4.915 -2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 155 119.040 -6.968 -1.024 1.00 0.00 H new ATOM 0 HH12 ARG A 155 117.761 -5.815 -1.419 1.00 0.00 H new ATOM 0 HH21 ARG A 155 119.944 -3.403 -2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 155 118.264 -3.834 -2.330 1.00 0.00 H new ATOM 1970 N ALA A 156 122.954 -5.610 3.433 1.00 0.00 N ATOM 1971 CA ALA A 156 123.477 -6.402 4.576 1.00 0.00 C ATOM 1972 C ALA A 156 124.577 -5.642 5.307 1.00 0.00 C ATOM 1973 O ALA A 156 125.388 -4.958 4.711 1.00 0.00 O ATOM 1974 CB ALA A 156 124.037 -7.681 3.953 1.00 0.00 C ATOM 0 H ALA A 156 123.662 -5.224 2.808 1.00 0.00 H new ATOM 0 HA ALA A 156 122.700 -6.608 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.443 -8.320 4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 156 123.240 -8.210 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 156 124.827 -7.426 3.247 1.00 0.00 H new ATOM 1980 N ALA A 157 124.611 -5.787 6.597 1.00 0.00 N ATOM 1981 CA ALA A 157 125.666 -5.108 7.414 1.00 0.00 C ATOM 1982 C ALA A 157 126.840 -6.074 7.607 1.00 0.00 C ATOM 1983 O ALA A 157 126.657 -7.209 7.997 1.00 0.00 O ATOM 1984 CB ALA A 157 124.998 -4.787 8.750 1.00 0.00 C ATOM 0 H ALA A 157 123.950 -6.350 7.132 1.00 0.00 H new ATOM 0 HA ALA A 157 126.055 -4.205 6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 157 125.713 -4.287 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.142 -4.134 8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.662 -5.711 9.220 1.00 0.00 H new ATOM 1990 N VAL A 158 128.034 -5.641 7.292 1.00 0.00 N ATOM 1991 CA VAL A 158 129.225 -6.548 7.405 1.00 0.00 C ATOM 1992 C VAL A 158 129.982 -6.311 8.713 1.00 0.00 C ATOM 1993 O VAL A 158 130.478 -5.228 8.960 1.00 0.00 O ATOM 1994 CB VAL A 158 130.150 -6.200 6.215 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.060 -7.401 5.904 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.333 -5.841 4.960 1.00 0.00 C ATOM 0 H VAL A 158 128.240 -4.698 6.961 1.00 0.00 H new ATOM 0 HA VAL A 158 128.908 -7.591 7.394 1.00 0.00 H new ATOM 0 HB VAL A 158 130.752 -5.335 6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 158 131.712 -7.156 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 158 131.667 -7.634 6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 158 130.447 -8.265 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 158 130.011 -5.601 4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 158 128.708 -6.688 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.701 -4.979 5.172 1.00 0.00 H new ATOM 2006 N CYS A 159 130.094 -7.321 9.542 1.00 0.00 N ATOM 2007 CA CYS A 159 130.843 -7.158 10.825 1.00 0.00 C ATOM 2008 C CYS A 159 131.657 -8.422 11.137 1.00 0.00 C ATOM 2009 O CYS A 159 131.364 -9.494 10.644 1.00 0.00 O ATOM 2010 CB CYS A 159 129.772 -6.917 11.897 1.00 0.00 C ATOM 2011 SG CYS A 159 128.646 -8.333 11.984 1.00 0.00 S ATOM 0 H CYS A 159 129.700 -8.249 9.385 1.00 0.00 H new ATOM 0 HA CYS A 159 131.555 -6.334 10.779 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.246 -6.759 12.866 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.212 -6.011 11.665 1.00 0.00 H new ATOM 0 HG CYS A 159 129.192 -9.358 11.400 1.00 0.00 H new ATOM 2017 N THR A 160 132.666 -8.300 11.962 1.00 0.00 N ATOM 2018 CA THR A 160 133.492 -9.491 12.324 1.00 0.00 C ATOM 2019 C THR A 160 132.913 -10.151 13.579 1.00 0.00 C ATOM 2020 O THR A 160 132.563 -11.316 13.576 1.00 0.00 O ATOM 2021 CB THR A 160 134.891 -8.935 12.598 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.257 -8.046 11.552 1.00 0.00 O ATOM 2023 CG2 THR A 160 135.896 -10.085 12.669 1.00 0.00 C ATOM 0 H THR A 160 132.954 -7.425 12.401 1.00 0.00 H new ATOM 0 HA THR A 160 133.509 -10.248 11.540 1.00 0.00 H new ATOM 0 HB THR A 160 134.890 -8.400 13.548 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.152 -7.687 11.726 1.00 0.00 H new ATOM 0 HG21 THR A 160 136.892 -9.687 12.864 1.00 0.00 H new ATOM 0 HG22 THR A 160 135.614 -10.766 13.472 1.00 0.00 H new ATOM 0 HG23 THR A 160 135.900 -10.624 11.721 1.00 0.00 H new ATOM 2031 N ARG A 161 132.797 -9.403 14.646 1.00 0.00 N ATOM 2032 CA ARG A 161 132.224 -9.959 15.909 1.00 0.00 C ATOM 2033 C ARG A 161 131.032 -9.105 16.347 1.00 0.00 C ATOM 2034 O ARG A 161 130.817 -8.870 17.521 1.00 0.00 O ATOM 2035 CB ARG A 161 133.355 -9.881 16.943 1.00 0.00 C ATOM 2036 CG ARG A 161 133.838 -8.429 17.093 1.00 0.00 C ATOM 2037 CD ARG A 161 133.896 -8.052 18.577 1.00 0.00 C ATOM 2038 NE ARG A 161 135.029 -8.852 19.135 1.00 0.00 N ATOM 2039 CZ ARG A 161 136.268 -8.406 19.094 1.00 0.00 C ATOM 2040 NH1 ARG A 161 136.592 -7.345 18.391 1.00 0.00 N ATOM 2041 NH2 ARG A 161 137.195 -9.037 19.763 1.00 0.00 N ATOM 0 H ARG A 161 133.077 -8.423 14.697 1.00 0.00 H new ATOM 0 HA ARG A 161 131.868 -10.982 15.789 1.00 0.00 H new ATOM 0 HB2 ARG A 161 133.005 -10.257 17.905 1.00 0.00 H new ATOM 0 HB3 ARG A 161 134.184 -10.518 16.635 1.00 0.00 H new ATOM 0 HG2 ARG A 161 134.823 -8.315 16.641 1.00 0.00 H new ATOM 0 HG3 ARG A 161 133.164 -7.755 16.563 1.00 0.00 H new ATOM 0 HD2 ARG A 161 134.066 -6.983 18.706 1.00 0.00 H new ATOM 0 HD3 ARG A 161 132.959 -8.289 19.081 1.00 0.00 H new ATOM 0 HE ARG A 161 134.839 -9.761 19.556 1.00 0.00 H new ATOM 0 HH11 ARG A 161 135.877 -6.847 17.861 1.00 0.00 H new ATOM 0 HH12 ARG A 161 137.558 -7.019 18.375 1.00 0.00 H new ATOM 0 HH21 ARG A 161 136.956 -9.865 20.309 1.00 0.00 H new ATOM 0 HH22 ARG A 161 138.158 -8.702 19.740 1.00 0.00 H new ATOM 2055 N GLY A 162 130.268 -8.626 15.400 1.00 0.00 N ATOM 2056 CA GLY A 162 129.094 -7.766 15.728 1.00 0.00 C ATOM 2057 C GLY A 162 129.425 -6.295 15.430 1.00 0.00 C ATOM 2058 O GLY A 162 128.546 -5.454 15.412 1.00 0.00 O ATOM 0 H GLY A 162 130.409 -8.796 14.404 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.228 -8.079 15.144 1.00 0.00 H new ATOM 0 HA3 GLY A 162 128.829 -7.883 16.779 1.00 0.00 H new ATOM 2062 N VAL A 163 130.678 -5.978 15.179 1.00 0.00 N ATOM 2063 CA VAL A 163 131.053 -4.566 14.866 1.00 0.00 C ATOM 2064 C VAL A 163 131.021 -4.363 13.350 1.00 0.00 C ATOM 2065 O VAL A 163 131.670 -5.078 12.612 1.00 0.00 O ATOM 2066 CB VAL A 163 132.475 -4.396 15.409 1.00 0.00 C ATOM 2067 CG1 VAL A 163 132.963 -2.971 15.138 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.482 -4.651 16.919 1.00 0.00 C ATOM 0 H VAL A 163 131.454 -6.640 15.179 1.00 0.00 H new ATOM 0 HA VAL A 163 130.372 -3.839 15.309 1.00 0.00 H new ATOM 0 HB VAL A 163 133.135 -5.109 14.914 1.00 0.00 H new ATOM 0 HG11 VAL A 163 133.975 -2.853 15.525 1.00 0.00 H new ATOM 0 HG12 VAL A 163 132.962 -2.784 14.064 1.00 0.00 H new ATOM 0 HG13 VAL A 163 132.301 -2.260 15.631 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.495 -4.530 17.304 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.819 -3.939 17.411 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.137 -5.666 17.118 1.00 0.00 H new ATOM 2078 N ALA A 164 130.265 -3.404 12.882 1.00 0.00 N ATOM 2079 CA ALA A 164 130.175 -3.169 11.409 1.00 0.00 C ATOM 2080 C ALA A 164 131.288 -2.231 10.937 1.00 0.00 C ATOM 2081 O ALA A 164 131.387 -1.098 11.367 1.00 0.00 O ATOM 2082 CB ALA A 164 128.807 -2.521 11.197 1.00 0.00 C ATOM 0 H ALA A 164 129.706 -2.773 13.456 1.00 0.00 H new ATOM 0 HA ALA A 164 130.288 -4.094 10.843 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.662 -2.315 10.136 1.00 0.00 H new ATOM 0 HB2 ALA A 164 128.026 -3.197 11.546 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.756 -1.588 11.758 1.00 0.00 H new ATOM 2088 N LYS A 165 132.122 -2.704 10.046 1.00 0.00 N ATOM 2089 CA LYS A 165 133.235 -1.859 9.522 1.00 0.00 C ATOM 2090 C LYS A 165 132.967 -1.492 8.058 1.00 0.00 C ATOM 2091 O LYS A 165 133.396 -0.459 7.580 1.00 0.00 O ATOM 2092 CB LYS A 165 134.485 -2.733 9.635 1.00 0.00 C ATOM 2093 CG LYS A 165 134.736 -3.087 11.102 1.00 0.00 C ATOM 2094 CD LYS A 165 135.614 -4.338 11.184 1.00 0.00 C ATOM 2095 CE LYS A 165 137.073 -3.963 10.911 1.00 0.00 C ATOM 2096 NZ LYS A 165 137.704 -3.878 12.257 1.00 0.00 N ATOM 0 H LYS A 165 132.078 -3.646 9.657 1.00 0.00 H new ATOM 0 HA LYS A 165 133.342 -0.925 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.359 -3.643 9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.347 -2.206 9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 165 135.223 -2.254 11.610 1.00 0.00 H new ATOM 0 HG3 LYS A 165 133.789 -3.261 11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 165 135.524 -4.793 12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 165 135.277 -5.079 10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 165 137.564 -4.713 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 165 137.144 -3.014 10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 138.707 -3.625 12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 137.219 -3.152 12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 137.626 -4.798 12.736 1.00 0.00 H new ATOM 2110 N ALA A 166 132.259 -2.336 7.347 1.00 0.00 N ATOM 2111 CA ALA A 166 131.955 -2.048 5.913 1.00 0.00 C ATOM 2112 C ALA A 166 130.456 -2.223 5.645 1.00 0.00 C ATOM 2113 O ALA A 166 129.729 -2.750 6.467 1.00 0.00 O ATOM 2114 CB ALA A 166 132.772 -3.070 5.119 1.00 0.00 C ATOM 0 H ALA A 166 131.878 -3.214 7.700 1.00 0.00 H new ATOM 0 HA ALA A 166 132.208 -1.025 5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.602 -2.923 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.832 -2.939 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.466 -4.078 5.399 1.00 0.00 H new ATOM 2120 N VAL A 167 129.992 -1.781 4.504 1.00 0.00 N ATOM 2121 CA VAL A 167 128.537 -1.913 4.177 1.00 0.00 C ATOM 2122 C VAL A 167 128.350 -2.309 2.706 1.00 0.00 C ATOM 2123 O VAL A 167 129.078 -1.864 1.838 1.00 0.00 O ATOM 2124 CB VAL A 167 127.939 -0.527 4.450 1.00 0.00 C ATOM 2125 CG1 VAL A 167 128.130 -0.170 5.925 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.638 0.525 3.581 1.00 0.00 C ATOM 0 H VAL A 167 130.558 -1.334 3.783 1.00 0.00 H new ATOM 0 HA VAL A 167 128.051 -2.688 4.770 1.00 0.00 H new ATOM 0 HB VAL A 167 126.876 -0.545 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.705 0.815 6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.627 -0.911 6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 167 129.194 -0.159 6.162 1.00 0.00 H new ATOM 0 HG21 VAL A 167 128.208 1.506 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.702 0.541 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.502 0.276 2.529 1.00 0.00 H new ATOM 2136 N ASP A 168 127.382 -3.147 2.427 1.00 0.00 N ATOM 2137 CA ASP A 168 127.143 -3.587 1.017 1.00 0.00 C ATOM 2138 C ASP A 168 125.758 -3.138 0.532 1.00 0.00 C ATOM 2139 O ASP A 168 124.777 -3.242 1.246 1.00 0.00 O ATOM 2140 CB ASP A 168 127.220 -5.110 1.073 1.00 0.00 C ATOM 2141 CG ASP A 168 127.489 -5.663 -0.328 1.00 0.00 C ATOM 2142 OD1 ASP A 168 126.837 -5.215 -1.255 1.00 0.00 O ATOM 2143 OD2 ASP A 168 128.343 -6.526 -0.448 1.00 0.00 O ATOM 0 H ASP A 168 126.745 -3.546 3.117 1.00 0.00 H new ATOM 0 HA ASP A 168 127.866 -3.157 0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 168 128.012 -5.419 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.287 -5.517 1.463 1.00 0.00 H new ATOM 2148 N PHE A 169 125.678 -2.645 -0.681 1.00 0.00 N ATOM 2149 CA PHE A 169 124.362 -2.187 -1.231 1.00 0.00 C ATOM 2150 C PHE A 169 124.304 -2.415 -2.750 1.00 0.00 C ATOM 2151 O PHE A 169 125.320 -2.552 -3.404 1.00 0.00 O ATOM 2152 CB PHE A 169 124.288 -0.688 -0.905 1.00 0.00 C ATOM 2153 CG PHE A 169 125.462 0.039 -1.525 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.351 0.580 -2.812 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.660 0.168 -0.812 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.439 1.249 -3.385 1.00 0.00 C ATOM 2157 CE2 PHE A 169 127.747 0.839 -1.386 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.636 1.379 -2.673 1.00 0.00 C ATOM 0 H PHE A 169 126.470 -2.540 -1.316 1.00 0.00 H new ATOM 0 HA PHE A 169 123.526 -2.738 -0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.353 -0.272 -1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.290 -0.543 0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.427 0.481 -3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 169 126.746 -0.250 0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 169 126.354 1.665 -4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.671 0.940 -0.836 1.00 0.00 H new ATOM 0 HZ PHE A 169 128.474 1.896 -3.116 1.00 0.00 H new ATOM 2168 N VAL A 170 123.119 -2.452 -3.310 1.00 0.00 N ATOM 2169 CA VAL A 170 122.980 -2.666 -4.785 1.00 0.00 C ATOM 2170 C VAL A 170 122.554 -1.342 -5.459 1.00 0.00 C ATOM 2171 O VAL A 170 121.790 -0.586 -4.892 1.00 0.00 O ATOM 2172 CB VAL A 170 121.897 -3.759 -4.912 1.00 0.00 C ATOM 2173 CG1 VAL A 170 121.321 -3.824 -6.335 1.00 0.00 C ATOM 2174 CG2 VAL A 170 122.521 -5.114 -4.572 1.00 0.00 C ATOM 0 H VAL A 170 122.239 -2.343 -2.807 1.00 0.00 H new ATOM 0 HA VAL A 170 123.905 -2.971 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 170 121.086 -3.516 -4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 170 120.562 -4.605 -6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 170 120.872 -2.864 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 170 122.120 -4.049 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 170 121.765 -5.895 -4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 170 123.338 -5.322 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 170 122.905 -5.092 -3.552 1.00 0.00 H new ATOM 2184 N PRO A 171 123.064 -1.098 -6.651 1.00 0.00 N ATOM 2185 CA PRO A 171 122.716 0.150 -7.373 1.00 0.00 C ATOM 2186 C PRO A 171 121.292 0.071 -7.930 1.00 0.00 C ATOM 2187 O PRO A 171 120.601 -0.915 -7.756 1.00 0.00 O ATOM 2188 CB PRO A 171 123.737 0.211 -8.506 1.00 0.00 C ATOM 2189 CG PRO A 171 124.155 -1.207 -8.735 1.00 0.00 C ATOM 2190 CD PRO A 171 123.994 -1.938 -7.426 1.00 0.00 C ATOM 0 HA PRO A 171 122.743 1.032 -6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.300 0.643 -9.406 1.00 0.00 H new ATOM 0 HB3 PRO A 171 124.589 0.834 -8.235 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.543 -1.668 -9.510 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.189 -1.253 -9.076 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.593 -2.940 -7.577 1.00 0.00 H new ATOM 0 HD3 PRO A 171 124.949 -2.051 -6.913 1.00 0.00 H new ATOM 2198 N VAL A 172 120.854 1.106 -8.599 1.00 0.00 N ATOM 2199 CA VAL A 172 119.475 1.108 -9.176 1.00 0.00 C ATOM 2200 C VAL A 172 119.517 0.648 -10.639 1.00 0.00 C ATOM 2201 O VAL A 172 118.559 0.102 -11.153 1.00 0.00 O ATOM 2202 CB VAL A 172 119.001 2.563 -9.081 1.00 0.00 C ATOM 2203 CG1 VAL A 172 117.580 2.679 -9.638 1.00 0.00 C ATOM 2204 CG2 VAL A 172 119.005 3.009 -7.616 1.00 0.00 C ATOM 0 H VAL A 172 121.394 1.954 -8.772 1.00 0.00 H new ATOM 0 HA VAL A 172 118.805 0.430 -8.647 1.00 0.00 H new ATOM 0 HB VAL A 172 119.673 3.197 -9.659 1.00 0.00 H new ATOM 0 HG11 VAL A 172 117.246 3.714 -9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 172 117.571 2.363 -10.681 1.00 0.00 H new ATOM 0 HG13 VAL A 172 116.910 2.042 -9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 172 118.668 4.043 -7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 172 118.335 2.371 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 172 120.015 2.930 -7.214 1.00 0.00 H new ATOM 2214 N GLU A 173 120.621 0.869 -11.308 1.00 0.00 N ATOM 2215 CA GLU A 173 120.733 0.451 -12.741 1.00 0.00 C ATOM 2216 C GLU A 173 120.541 -1.060 -12.876 1.00 0.00 C ATOM 2217 O GLU A 173 120.006 -1.540 -13.857 1.00 0.00 O ATOM 2218 CB GLU A 173 122.149 0.837 -13.166 1.00 0.00 C ATOM 2219 CG GLU A 173 122.198 1.013 -14.685 1.00 0.00 C ATOM 2220 CD GLU A 173 122.520 -0.329 -15.349 1.00 0.00 C ATOM 2221 OE1 GLU A 173 122.045 -0.551 -16.450 1.00 0.00 O ATOM 2222 OE2 GLU A 173 123.237 -1.111 -14.747 1.00 0.00 O ATOM 0 H GLU A 173 121.451 1.321 -10.924 1.00 0.00 H new ATOM 0 HA GLU A 173 119.973 0.928 -13.359 1.00 0.00 H new ATOM 0 HB2 GLU A 173 122.448 1.762 -12.673 1.00 0.00 H new ATOM 0 HB3 GLU A 173 122.855 0.067 -12.856 1.00 0.00 H new ATOM 0 HG2 GLU A 173 121.242 1.390 -15.048 1.00 0.00 H new ATOM 0 HG3 GLU A 173 122.954 1.752 -14.951 1.00 0.00 H new ATOM 2229 N SER A 174 120.987 -1.808 -11.901 1.00 0.00 N ATOM 2230 CA SER A 174 120.846 -3.293 -11.973 1.00 0.00 C ATOM 2231 C SER A 174 119.366 -3.691 -12.030 1.00 0.00 C ATOM 2232 O SER A 174 119.008 -4.692 -12.621 1.00 0.00 O ATOM 2233 CB SER A 174 121.491 -3.824 -10.692 1.00 0.00 C ATOM 2234 OG SER A 174 121.464 -5.246 -10.708 1.00 0.00 O ATOM 0 H SER A 174 121.442 -1.456 -11.059 1.00 0.00 H new ATOM 0 HA SER A 174 121.319 -3.701 -12.866 1.00 0.00 H new ATOM 0 HB2 SER A 174 122.519 -3.469 -10.614 1.00 0.00 H new ATOM 0 HB3 SER A 174 120.957 -3.448 -9.819 1.00 0.00 H new ATOM 0 HG SER A 174 121.878 -5.590 -9.889 1.00 0.00 H new ATOM 2240 N MET A 175 118.507 -2.918 -11.412 1.00 0.00 N ATOM 2241 CA MET A 175 117.048 -3.255 -11.424 1.00 0.00 C ATOM 2242 C MET A 175 116.452 -3.013 -12.812 1.00 0.00 C ATOM 2243 O MET A 175 115.480 -3.636 -13.194 1.00 0.00 O ATOM 2244 CB MET A 175 116.386 -2.327 -10.393 1.00 0.00 C ATOM 2245 CG MET A 175 117.077 -2.437 -9.019 1.00 0.00 C ATOM 2246 SD MET A 175 117.083 -4.159 -8.436 1.00 0.00 S ATOM 2247 CE MET A 175 115.317 -4.487 -8.640 1.00 0.00 C ATOM 0 H MET A 175 118.752 -2.070 -10.901 1.00 0.00 H new ATOM 0 HA MET A 175 116.884 -4.305 -11.181 1.00 0.00 H new ATOM 0 HB2 MET A 175 116.432 -1.296 -10.745 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.331 -2.583 -10.294 1.00 0.00 H new ATOM 0 HG2 MET A 175 118.100 -2.069 -9.091 1.00 0.00 H new ATOM 0 HG3 MET A 175 116.561 -1.805 -8.296 1.00 0.00 H new ATOM 0 HE1 MET A 175 115.054 -5.403 -8.111 1.00 0.00 H new ATOM 0 HE2 MET A 175 114.743 -3.655 -8.232 1.00 0.00 H new ATOM 0 HE3 MET A 175 115.088 -4.601 -9.700 1.00 0.00 H new ATOM 2257 N GLU A 176 117.021 -2.105 -13.568 1.00 0.00 N ATOM 2258 CA GLU A 176 116.479 -1.811 -14.935 1.00 0.00 C ATOM 2259 C GLU A 176 116.445 -3.087 -15.785 1.00 0.00 C ATOM 2260 O GLU A 176 115.478 -3.353 -16.476 1.00 0.00 O ATOM 2261 CB GLU A 176 117.444 -0.789 -15.541 1.00 0.00 C ATOM 2262 CG GLU A 176 117.291 0.551 -14.817 1.00 0.00 C ATOM 2263 CD GLU A 176 115.928 1.161 -15.148 1.00 0.00 C ATOM 2264 OE1 GLU A 176 115.666 1.376 -16.319 1.00 0.00 O ATOM 2265 OE2 GLU A 176 115.170 1.406 -14.223 1.00 0.00 O ATOM 0 H GLU A 176 117.837 -1.555 -13.299 1.00 0.00 H new ATOM 0 HA GLU A 176 115.458 -1.432 -14.894 1.00 0.00 H new ATOM 0 HB2 GLU A 176 118.470 -1.146 -15.454 1.00 0.00 H new ATOM 0 HB3 GLU A 176 117.239 -0.665 -16.604 1.00 0.00 H new ATOM 0 HG2 GLU A 176 117.384 0.407 -13.741 1.00 0.00 H new ATOM 0 HG3 GLU A 176 118.088 1.231 -15.118 1.00 0.00 H new ATOM 2272 N THR A 177 117.484 -3.881 -15.729 1.00 0.00 N ATOM 2273 CA THR A 177 117.507 -5.146 -16.526 1.00 0.00 C ATOM 2274 C THR A 177 116.495 -6.140 -15.946 1.00 0.00 C ATOM 2275 O THR A 177 115.803 -6.831 -16.671 1.00 0.00 O ATOM 2276 CB THR A 177 118.933 -5.689 -16.388 1.00 0.00 C ATOM 2277 OG1 THR A 177 119.853 -4.721 -16.873 1.00 0.00 O ATOM 2278 CG2 THR A 177 119.075 -6.979 -17.198 1.00 0.00 C ATOM 0 H THR A 177 118.317 -3.709 -15.166 1.00 0.00 H new ATOM 0 HA THR A 177 117.241 -4.982 -17.570 1.00 0.00 H new ATOM 0 HB THR A 177 119.141 -5.899 -15.339 1.00 0.00 H new ATOM 0 HG1 THR A 177 120.766 -5.065 -16.784 1.00 0.00 H new ATOM 0 HG21 THR A 177 120.091 -7.362 -17.097 1.00 0.00 H new ATOM 0 HG22 THR A 177 118.369 -7.721 -16.827 1.00 0.00 H new ATOM 0 HG23 THR A 177 118.867 -6.774 -18.248 1.00 0.00 H new ATOM 2286 N THR A 178 116.406 -6.210 -14.642 1.00 0.00 N ATOM 2287 CA THR A 178 115.440 -7.152 -13.997 1.00 0.00 C ATOM 2288 C THR A 178 114.005 -6.653 -14.189 1.00 0.00 C ATOM 2289 O THR A 178 113.083 -7.433 -14.333 1.00 0.00 O ATOM 2290 CB THR A 178 115.813 -7.159 -12.512 1.00 0.00 C ATOM 2291 OG1 THR A 178 117.171 -7.552 -12.369 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.913 -8.142 -11.759 1.00 0.00 C ATOM 0 H THR A 178 116.963 -5.653 -13.993 1.00 0.00 H new ATOM 0 HA THR A 178 115.490 -8.151 -14.431 1.00 0.00 H new ATOM 0 HB THR A 178 115.677 -6.159 -12.099 1.00 0.00 H new ATOM 0 HG1 THR A 178 117.675 -6.834 -11.932 1.00 0.00 H new ATOM 0 HG21 THR A 178 115.181 -8.145 -10.702 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.872 -7.839 -11.868 1.00 0.00 H new ATOM 0 HG23 THR A 178 115.045 -9.143 -12.169 1.00 0.00 H new ATOM 2300 N MET A 179 113.812 -5.358 -14.188 1.00 0.00 N ATOM 2301 CA MET A 179 112.434 -4.799 -14.364 1.00 0.00 C ATOM 2302 C MET A 179 111.850 -5.240 -15.710 1.00 0.00 C ATOM 2303 O MET A 179 110.682 -5.565 -15.810 1.00 0.00 O ATOM 2304 CB MET A 179 112.607 -3.278 -14.326 1.00 0.00 C ATOM 2305 CG MET A 179 111.267 -2.617 -13.999 1.00 0.00 C ATOM 2306 SD MET A 179 110.266 -2.496 -15.503 1.00 0.00 S ATOM 2307 CE MET A 179 110.627 -0.762 -15.877 1.00 0.00 C ATOM 0 H MET A 179 114.549 -4.662 -14.073 1.00 0.00 H new ATOM 0 HA MET A 179 111.749 -5.148 -13.591 1.00 0.00 H new ATOM 0 HB2 MET A 179 113.351 -3.005 -13.577 1.00 0.00 H new ATOM 0 HB3 MET A 179 112.976 -2.920 -15.287 1.00 0.00 H new ATOM 0 HG2 MET A 179 110.738 -3.198 -13.244 1.00 0.00 H new ATOM 0 HG3 MET A 179 111.432 -1.625 -13.579 1.00 0.00 H new ATOM 0 HE1 MET A 179 110.101 -0.469 -16.786 1.00 0.00 H new ATOM 0 HE2 MET A 179 110.298 -0.135 -15.049 1.00 0.00 H new ATOM 0 HE3 MET A 179 111.700 -0.637 -16.022 1.00 0.00 H new ATOM 2317 N ARG A 180 112.656 -5.256 -16.742 1.00 0.00 N ATOM 2318 CA ARG A 180 112.152 -5.678 -18.087 1.00 0.00 C ATOM 2319 C ARG A 180 111.627 -7.116 -18.026 1.00 0.00 C ATOM 2320 O ARG A 180 110.616 -7.442 -18.620 1.00 0.00 O ATOM 2321 CB ARG A 180 113.364 -5.591 -19.019 1.00 0.00 C ATOM 2322 CG ARG A 180 113.745 -4.125 -19.224 1.00 0.00 C ATOM 2323 CD ARG A 180 112.811 -3.495 -20.259 1.00 0.00 C ATOM 2324 NE ARG A 180 113.188 -2.055 -20.293 1.00 0.00 N ATOM 2325 CZ ARG A 180 112.271 -1.137 -20.148 1.00 0.00 C ATOM 2326 NH1 ARG A 180 111.564 -0.753 -21.175 1.00 0.00 N ATOM 2327 NH2 ARG A 180 112.061 -0.605 -18.975 1.00 0.00 N ATOM 0 H ARG A 180 113.642 -4.995 -16.712 1.00 0.00 H new ATOM 0 HA ARG A 180 111.330 -5.050 -18.432 1.00 0.00 H new ATOM 0 HB2 ARG A 180 114.204 -6.140 -18.593 1.00 0.00 H new ATOM 0 HB3 ARG A 180 113.133 -6.055 -19.978 1.00 0.00 H new ATOM 0 HG2 ARG A 180 113.676 -3.585 -18.280 1.00 0.00 H new ATOM 0 HG3 ARG A 180 114.780 -4.050 -19.559 1.00 0.00 H new ATOM 0 HD2 ARG A 180 112.936 -3.959 -21.237 1.00 0.00 H new ATOM 0 HD3 ARG A 180 111.766 -3.623 -19.977 1.00 0.00 H new ATOM 0 HE ARG A 180 114.162 -1.786 -20.430 1.00 0.00 H new ATOM 0 HH11 ARG A 180 111.728 -1.170 -22.091 1.00 0.00 H new ATOM 0 HH12 ARG A 180 110.848 -0.036 -21.062 1.00 0.00 H new ATOM 0 HH21 ARG A 180 112.613 -0.906 -18.172 1.00 0.00 H new ATOM 0 HH22 ARG A 180 111.345 0.112 -18.861 1.00 0.00 H new ATOM 2341 N ALA A 181 112.309 -7.974 -17.309 1.00 0.00 N ATOM 2342 CA ALA A 181 111.853 -9.396 -17.201 1.00 0.00 C ATOM 2343 C ALA A 181 110.466 -9.458 -16.556 1.00 0.00 C ATOM 2344 O ALA A 181 109.925 -8.458 -16.128 1.00 0.00 O ATOM 2345 CB ALA A 181 112.890 -10.085 -16.309 1.00 0.00 C ATOM 0 H ALA A 181 113.161 -7.753 -16.794 1.00 0.00 H new ATOM 0 HA ALA A 181 111.774 -9.877 -18.176 1.00 0.00 H new ATOM 0 HB1 ALA A 181 112.622 -11.134 -16.183 1.00 0.00 H new ATOM 0 HB2 ALA A 181 113.874 -10.015 -16.773 1.00 0.00 H new ATOM 0 HB3 ALA A 181 112.913 -9.597 -15.334 1.00 0.00 H new