USER MOD reduce.3.24.130724 H: found=0, std=0, add=1020, rem=0, adj=39 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 147 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 149 HIS :FLIP no HE2:sc= -0.572 F(o=-2,f=-0.57) USER MOD Set 2.1: A 97 CYS SG : rot 87:sc= 2.27 USER MOD Set 2.2: A 99 CYS SG : rot -37:sc= 1.89 USER MOD Set 2.3: A 101 SER OG : rot 106:sc= 0.967 USER MOD Set 2.4: A 145 CYS SG : rot -66:sc= 0.111 USER MOD Set 3.1: A 73 GLN :FLIP amide:sc= -1.32 F(o=-6.8,f=-3.7) USER MOD Set 3.2: A 76 THR OG1 : rot 68:sc= -2.4 USER MOD Set 4.1: A 57 HIS : no HE2:sc= -6.22! C(o=-6.2!,f=-8.3!) USER MOD Set 4.2: A 139 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 40 THR OG1 : rot 64:sc= 1.1 USER MOD Set 5.2: A 41 GLN : amide:sc= 0.797 K(o=1.9,f=-7.1!) USER MOD Set 6.1: A 37 SER OG : rot -42:sc= 0.0628 USER MOD Set 6.2: A 42 SER OG : rot 180:sc= 0.0568 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 38 THR OG1 : rot 83:sc= -0.106 USER MOD Single : A 46 THR OG1 : rot 160:sc= 0 USER MOD Single : A 47 CYS SG : rot 30:sc= 0.355 USER MOD Single : A 49 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.5) USER MOD Single : A 52 CYS SG : rot -173:sc= -6.71! USER MOD Single : A 54 THR OG1 : rot -124:sc= 0.792 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -93:sc= 1.37 USER MOD Single : A 77 ASN : amide:sc= -1.91 K(o=-1.9,f=-17!) USER MOD Single : A 80 GLN : amide:sc= 0.764 K(o=0.76,f=-0.89) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 93 SER OG : rot 49:sc= 0.087 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -58:sc= 0.772 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 140:sc= -1.18 USER MOD Single : A 110 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-0.84) USER MOD Single : A 122 SER OG : rot 180:sc= -0.181 USER MOD Single : A 125 SER OG : rot 180:sc= -0.0365 USER MOD Single : A 128 SER OG : rot 38:sc= 0.952 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 -129:sc= -0.414 USER MOD Single : A 159 CYS SG : rot 25:sc= -2.22! 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 -80:sc= 0.679 USER MOD Single : A 175 MET CE :methyl -130:sc= 0 (180deg=-0.098) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 110:sc= 0.277 USER MOD Single : A 179 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 149 N GLU A 32 110.917 10.766 0.282 1.00 0.00 N ATOM 150 CA GLU A 32 111.891 9.914 -0.494 1.00 0.00 C ATOM 151 C GLU A 32 111.831 8.455 -0.024 1.00 0.00 C ATOM 152 O GLU A 32 111.446 7.571 -0.770 1.00 0.00 O ATOM 153 CB GLU A 32 113.288 10.505 -0.247 1.00 0.00 C ATOM 154 CG GLU A 32 114.249 10.015 -1.335 1.00 0.00 C ATOM 155 CD GLU A 32 115.650 10.597 -1.102 1.00 0.00 C ATOM 156 OE1 GLU A 32 115.754 11.606 -0.420 1.00 0.00 O ATOM 157 OE2 GLU A 32 116.597 10.020 -1.611 1.00 0.00 O ATOM 0 HA GLU A 32 111.648 9.916 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 32 113.240 11.594 -0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 32 113.652 10.207 0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 32 114.293 8.926 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 32 113.882 10.313 -2.317 1.00 0.00 H new ATOM 164 N VAL A 33 112.208 8.196 1.202 1.00 0.00 N ATOM 165 CA VAL A 33 112.176 6.798 1.725 1.00 0.00 C ATOM 166 C VAL A 33 110.963 6.612 2.641 1.00 0.00 C ATOM 167 O VAL A 33 110.693 7.428 3.502 1.00 0.00 O ATOM 168 CB VAL A 33 113.480 6.638 2.516 1.00 0.00 C ATOM 169 CG1 VAL A 33 113.559 5.225 3.102 1.00 0.00 C ATOM 170 CG2 VAL A 33 114.674 6.862 1.585 1.00 0.00 C ATOM 0 H VAL A 33 112.538 8.897 1.866 1.00 0.00 H new ATOM 0 HA VAL A 33 112.093 6.058 0.929 1.00 0.00 H new ATOM 0 HB VAL A 33 113.500 7.370 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 33 114.487 5.115 3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 33 112.711 5.059 3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 33 113.535 4.494 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 33 115.601 6.748 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 33 114.648 6.131 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.625 7.867 1.166 1.00 0.00 H new ATOM 180 N GLN A 34 110.234 5.541 2.458 1.00 0.00 N ATOM 181 CA GLN A 34 109.035 5.289 3.312 1.00 0.00 C ATOM 182 C GLN A 34 109.361 4.229 4.365 1.00 0.00 C ATOM 183 O GLN A 34 110.325 3.496 4.240 1.00 0.00 O ATOM 184 CB GLN A 34 107.965 4.777 2.348 1.00 0.00 C ATOM 185 CG GLN A 34 106.633 4.637 3.089 1.00 0.00 C ATOM 186 CD GLN A 34 105.565 4.122 2.123 1.00 0.00 C ATOM 187 OE1 GLN A 34 105.773 3.140 1.437 1.00 0.00 O ATOM 188 NE2 GLN A 34 104.423 4.746 2.038 1.00 0.00 N ATOM 0 H GLN A 34 110.418 4.828 1.752 1.00 0.00 H new ATOM 0 HA GLN A 34 108.707 6.181 3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 34 107.856 5.466 1.510 1.00 0.00 H new ATOM 0 HB3 GLN A 34 108.265 3.815 1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 34 106.742 3.950 3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 34 106.331 5.599 3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 34 104.248 5.570 2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 34 103.705 4.410 1.396 1.00 0.00 H new ATOM 197 N VAL A 35 108.565 4.142 5.401 1.00 0.00 N ATOM 198 CA VAL A 35 108.827 3.126 6.465 1.00 0.00 C ATOM 199 C VAL A 35 107.656 2.141 6.556 1.00 0.00 C ATOM 200 O VAL A 35 106.503 2.525 6.513 1.00 0.00 O ATOM 201 CB VAL A 35 108.976 3.925 7.768 1.00 0.00 C ATOM 202 CG1 VAL A 35 110.166 4.879 7.648 1.00 0.00 C ATOM 203 CG2 VAL A 35 107.705 4.737 8.045 1.00 0.00 C ATOM 0 H VAL A 35 107.746 4.730 5.556 1.00 0.00 H new ATOM 0 HA VAL A 35 109.719 2.535 6.258 1.00 0.00 H new ATOM 0 HB VAL A 35 109.139 3.228 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 35 110.272 5.446 8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 35 111.075 4.306 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 35 110.000 5.566 6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 35 107.826 5.298 8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 35 107.529 5.430 7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 35 106.855 4.061 8.138 1.00 0.00 H new ATOM 213 N VAL A 36 107.950 0.870 6.676 1.00 0.00 N ATOM 214 CA VAL A 36 106.861 -0.151 6.768 1.00 0.00 C ATOM 215 C VAL A 36 107.269 -1.281 7.719 1.00 0.00 C ATOM 216 O VAL A 36 108.436 -1.605 7.845 1.00 0.00 O ATOM 217 CB VAL A 36 106.677 -0.680 5.341 1.00 0.00 C ATOM 218 CG1 VAL A 36 106.249 0.468 4.425 1.00 0.00 C ATOM 219 CG2 VAL A 36 107.994 -1.272 4.827 1.00 0.00 C ATOM 0 H VAL A 36 108.898 0.495 6.714 1.00 0.00 H new ATOM 0 HA VAL A 36 105.936 0.272 7.161 1.00 0.00 H new ATOM 0 HB VAL A 36 105.912 -1.456 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 36 106.118 0.094 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 36 105.308 0.887 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 36 107.016 1.243 4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 36 107.854 -1.645 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 36 108.764 -0.501 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 36 108.302 -2.092 5.476 1.00 0.00 H new ATOM 229 N SER A 37 106.315 -1.882 8.383 1.00 0.00 N ATOM 230 CA SER A 37 106.637 -2.994 9.326 1.00 0.00 C ATOM 231 C SER A 37 105.933 -4.280 8.886 1.00 0.00 C ATOM 232 O SER A 37 104.780 -4.264 8.498 1.00 0.00 O ATOM 233 CB SER A 37 106.106 -2.531 10.682 1.00 0.00 C ATOM 234 OG SER A 37 106.916 -1.466 11.165 1.00 0.00 O ATOM 0 H SER A 37 105.324 -1.649 8.312 1.00 0.00 H new ATOM 0 HA SER A 37 107.705 -3.211 9.359 1.00 0.00 H new ATOM 0 HB2 SER A 37 105.071 -2.202 10.587 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.114 -3.359 11.391 1.00 0.00 H new ATOM 0 HG SER A 37 107.860 -1.673 11.003 1.00 0.00 H new ATOM 240 N THR A 38 106.619 -5.391 8.948 1.00 0.00 N ATOM 241 CA THR A 38 105.998 -6.687 8.537 1.00 0.00 C ATOM 242 C THR A 38 105.534 -7.457 9.769 1.00 0.00 C ATOM 243 O THR A 38 105.646 -6.986 10.885 1.00 0.00 O ATOM 244 CB THR A 38 107.098 -7.462 7.797 1.00 0.00 C ATOM 245 OG1 THR A 38 107.952 -6.554 7.112 1.00 0.00 O ATOM 246 CG2 THR A 38 106.458 -8.415 6.787 1.00 0.00 C ATOM 0 H THR A 38 107.586 -5.458 9.266 1.00 0.00 H new ATOM 0 HA THR A 38 105.124 -6.537 7.903 1.00 0.00 H new ATOM 0 HB THR A 38 107.683 -8.031 8.520 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.625 -6.205 7.734 1.00 0.00 H new ATOM 0 HG21 THR A 38 107.238 -8.966 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.808 -9.117 7.310 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.871 -7.843 6.069 1.00 0.00 H new ATOM 254 N ALA A 39 104.996 -8.631 9.569 1.00 0.00 N ATOM 255 CA ALA A 39 104.501 -9.434 10.723 1.00 0.00 C ATOM 256 C ALA A 39 105.639 -9.738 11.704 1.00 0.00 C ATOM 257 O ALA A 39 105.486 -9.598 12.903 1.00 0.00 O ATOM 258 CB ALA A 39 103.960 -10.729 10.113 1.00 0.00 C ATOM 0 H ALA A 39 104.878 -9.068 8.655 1.00 0.00 H new ATOM 0 HA ALA A 39 103.738 -8.898 11.287 1.00 0.00 H new ATOM 0 HB1 ALA A 39 103.577 -11.372 10.905 1.00 0.00 H new ATOM 0 HB2 ALA A 39 103.156 -10.494 9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 39 104.761 -11.244 9.583 1.00 0.00 H new ATOM 264 N THR A 40 106.776 -10.158 11.205 1.00 0.00 N ATOM 265 CA THR A 40 107.922 -10.481 12.110 1.00 0.00 C ATOM 266 C THR A 40 109.127 -9.581 11.813 1.00 0.00 C ATOM 267 O THR A 40 109.936 -9.314 12.682 1.00 0.00 O ATOM 268 CB THR A 40 108.258 -11.942 11.814 1.00 0.00 C ATOM 269 OG1 THR A 40 108.259 -12.150 10.407 1.00 0.00 O ATOM 270 CG2 THR A 40 107.215 -12.851 12.466 1.00 0.00 C ATOM 0 H THR A 40 106.960 -10.291 10.210 1.00 0.00 H new ATOM 0 HA THR A 40 107.669 -10.319 13.158 1.00 0.00 H new ATOM 0 HB THR A 40 109.243 -12.178 12.218 1.00 0.00 H new ATOM 0 HG1 THR A 40 108.973 -11.618 9.998 1.00 0.00 H new ATOM 0 HG21 THR A 40 107.456 -13.893 12.254 1.00 0.00 H new ATOM 0 HG22 THR A 40 107.216 -12.691 13.544 1.00 0.00 H new ATOM 0 HG23 THR A 40 106.228 -12.618 12.065 1.00 0.00 H new ATOM 278 N GLN A 41 109.259 -9.118 10.593 1.00 0.00 N ATOM 279 CA GLN A 41 110.418 -8.241 10.242 1.00 0.00 C ATOM 280 C GLN A 41 109.937 -6.833 9.887 1.00 0.00 C ATOM 281 O GLN A 41 108.753 -6.574 9.805 1.00 0.00 O ATOM 282 CB GLN A 41 111.064 -8.905 9.025 1.00 0.00 C ATOM 283 CG GLN A 41 112.154 -9.881 9.484 1.00 0.00 C ATOM 284 CD GLN A 41 111.623 -11.318 9.436 1.00 0.00 C ATOM 285 OE1 GLN A 41 110.431 -11.538 9.353 1.00 0.00 O ATOM 286 NE2 GLN A 41 112.466 -12.313 9.485 1.00 0.00 N ATOM 0 H GLN A 41 108.614 -9.310 9.826 1.00 0.00 H new ATOM 0 HA GLN A 41 111.116 -8.136 11.072 1.00 0.00 H new ATOM 0 HB2 GLN A 41 110.309 -9.435 8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.494 -8.147 8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 41 113.031 -9.787 8.844 1.00 0.00 H new ATOM 0 HG3 GLN A 41 112.471 -9.635 10.497 1.00 0.00 H new ATOM 0 HE21 GLN A 41 113.467 -12.130 9.555 1.00 0.00 H new ATOM 0 HE22 GLN A 41 112.124 -13.273 9.454 1.00 0.00 H new ATOM 295 N SER A 42 110.854 -5.922 9.676 1.00 0.00 N ATOM 296 CA SER A 42 110.465 -4.525 9.319 1.00 0.00 C ATOM 297 C SER A 42 111.565 -3.875 8.478 1.00 0.00 C ATOM 298 O SER A 42 112.699 -3.764 8.903 1.00 0.00 O ATOM 299 CB SER A 42 110.307 -3.800 10.656 1.00 0.00 C ATOM 300 OG SER A 42 109.902 -2.459 10.416 1.00 0.00 O ATOM 0 H SER A 42 111.859 -6.087 9.736 1.00 0.00 H new ATOM 0 HA SER A 42 109.549 -4.487 8.730 1.00 0.00 H new ATOM 0 HB2 SER A 42 109.569 -4.310 11.275 1.00 0.00 H new ATOM 0 HB3 SER A 42 111.249 -3.815 11.205 1.00 0.00 H new ATOM 0 HG SER A 42 109.798 -1.991 11.271 1.00 0.00 H new ATOM 306 N PHE A 43 111.234 -3.446 7.290 1.00 0.00 N ATOM 307 CA PHE A 43 112.252 -2.802 6.401 1.00 0.00 C ATOM 308 C PHE A 43 111.689 -1.507 5.810 1.00 0.00 C ATOM 309 O PHE A 43 110.565 -1.129 6.084 1.00 0.00 O ATOM 310 CB PHE A 43 112.533 -3.817 5.283 1.00 0.00 C ATOM 311 CG PHE A 43 111.239 -4.223 4.610 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.456 -5.240 5.166 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.823 -3.580 3.438 1.00 0.00 C ATOM 314 CE1 PHE A 43 109.261 -5.617 4.556 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.623 -3.960 2.825 1.00 0.00 C ATOM 316 CZ PHE A 43 108.843 -4.979 3.386 1.00 0.00 C ATOM 0 H PHE A 43 110.297 -3.513 6.892 1.00 0.00 H new ATOM 0 HA PHE A 43 113.160 -2.545 6.947 1.00 0.00 H new ATOM 0 HB2 PHE A 43 113.212 -3.383 4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 43 113.029 -4.696 5.695 1.00 0.00 H new ATOM 0 HD1 PHE A 43 110.778 -5.734 6.070 1.00 0.00 H new ATOM 0 HD2 PHE A 43 111.426 -2.794 3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 43 108.658 -6.402 4.988 1.00 0.00 H new ATOM 0 HE2 PHE A 43 109.299 -3.468 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 43 107.917 -5.272 2.913 1.00 0.00 H new ATOM 326 N LEU A 44 112.461 -0.828 4.998 1.00 0.00 N ATOM 327 CA LEU A 44 111.973 0.445 4.381 1.00 0.00 C ATOM 328 C LEU A 44 111.952 0.302 2.856 1.00 0.00 C ATOM 329 O LEU A 44 112.315 -0.727 2.321 1.00 0.00 O ATOM 330 CB LEU A 44 112.971 1.535 4.807 1.00 0.00 C ATOM 331 CG LEU A 44 113.215 1.502 6.326 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.141 2.654 6.708 1.00 0.00 C ATOM 333 CD2 LEU A 44 111.896 1.660 7.089 1.00 0.00 C ATOM 0 H LEU A 44 113.408 -1.100 4.735 1.00 0.00 H new ATOM 0 HA LEU A 44 110.962 0.693 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 44 113.915 1.393 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.589 2.514 4.518 1.00 0.00 H new ATOM 0 HG LEU A 44 113.665 0.544 6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.318 2.637 7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.090 2.548 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 44 113.677 3.601 6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 44 112.091 1.634 8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.436 2.613 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.222 0.846 6.823 1.00 0.00 H new ATOM 345 N ALA A 45 111.521 1.323 2.155 1.00 0.00 N ATOM 346 CA ALA A 45 111.469 1.237 0.662 1.00 0.00 C ATOM 347 C ALA A 45 111.842 2.578 0.022 1.00 0.00 C ATOM 348 O ALA A 45 111.799 3.616 0.654 1.00 0.00 O ATOM 349 CB ALA A 45 110.016 0.883 0.342 1.00 0.00 C ATOM 0 H ALA A 45 111.204 2.208 2.550 1.00 0.00 H new ATOM 0 HA ALA A 45 112.173 0.502 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.891 0.800 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.761 -0.068 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 45 109.359 1.664 0.725 1.00 0.00 H new ATOM 355 N THR A 46 112.200 2.553 -1.237 1.00 0.00 N ATOM 356 CA THR A 46 112.571 3.812 -1.951 1.00 0.00 C ATOM 357 C THR A 46 111.720 3.958 -3.215 1.00 0.00 C ATOM 358 O THR A 46 111.396 2.982 -3.863 1.00 0.00 O ATOM 359 CB THR A 46 114.048 3.642 -2.312 1.00 0.00 C ATOM 360 OG1 THR A 46 114.207 2.474 -3.105 1.00 0.00 O ATOM 361 CG2 THR A 46 114.875 3.513 -1.034 1.00 0.00 C ATOM 0 H THR A 46 112.251 1.707 -1.805 1.00 0.00 H new ATOM 0 HA THR A 46 112.404 4.703 -1.345 1.00 0.00 H new ATOM 0 HB THR A 46 114.389 4.511 -2.874 1.00 0.00 H new ATOM 0 HG1 THR A 46 115.053 2.526 -3.597 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.927 3.392 -1.292 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.751 4.411 -0.428 1.00 0.00 H new ATOM 0 HG23 THR A 46 114.538 2.644 -0.469 1.00 0.00 H new ATOM 369 N CYS A 47 111.346 5.165 -3.562 1.00 0.00 N ATOM 370 CA CYS A 47 110.499 5.363 -4.785 1.00 0.00 C ATOM 371 C CYS A 47 111.363 5.621 -6.030 1.00 0.00 C ATOM 372 O CYS A 47 112.009 6.645 -6.160 1.00 0.00 O ATOM 373 CB CYS A 47 109.586 6.561 -4.478 1.00 0.00 C ATOM 374 SG CYS A 47 110.555 8.055 -4.124 1.00 0.00 S ATOM 0 H CYS A 47 111.587 6.018 -3.057 1.00 0.00 H new ATOM 0 HA CYS A 47 109.916 4.470 -5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 47 108.927 6.745 -5.326 1.00 0.00 H new ATOM 0 HB3 CYS A 47 108.950 6.327 -3.624 1.00 0.00 H new ATOM 0 HG CYS A 47 111.677 8.009 -4.778 1.00 0.00 H new ATOM 380 N VAL A 48 111.375 4.688 -6.952 1.00 0.00 N ATOM 381 CA VAL A 48 112.190 4.869 -8.194 1.00 0.00 C ATOM 382 C VAL A 48 111.348 4.570 -9.444 1.00 0.00 C ATOM 383 O VAL A 48 110.808 3.493 -9.602 1.00 0.00 O ATOM 384 CB VAL A 48 113.348 3.872 -8.069 1.00 0.00 C ATOM 385 CG1 VAL A 48 114.269 3.997 -9.285 1.00 0.00 C ATOM 386 CG2 VAL A 48 114.151 4.171 -6.799 1.00 0.00 C ATOM 0 H VAL A 48 110.857 3.811 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 48 112.548 5.893 -8.298 1.00 0.00 H new ATOM 0 HB VAL A 48 112.944 2.861 -8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.091 3.287 -9.193 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.704 3.783 -10.193 1.00 0.00 H new ATOM 0 HG13 VAL A 48 114.668 5.010 -9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 48 114.973 3.461 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.550 5.184 -6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.501 4.081 -5.928 1.00 0.00 H new ATOM 396 N ASN A 49 111.259 5.519 -10.342 1.00 0.00 N ATOM 397 CA ASN A 49 110.484 5.321 -11.612 1.00 0.00 C ATOM 398 C ASN A 49 109.061 4.807 -11.355 1.00 0.00 C ATOM 399 O ASN A 49 108.524 4.050 -12.143 1.00 0.00 O ATOM 400 CB ASN A 49 111.285 4.286 -12.407 1.00 0.00 C ATOM 401 CG ASN A 49 110.823 4.293 -13.866 1.00 0.00 C ATOM 402 OD1 ASN A 49 110.142 3.388 -14.304 1.00 0.00 O ATOM 403 ND2 ASN A 49 111.170 5.284 -14.642 1.00 0.00 N ATOM 0 H ASN A 49 111.696 6.436 -10.250 1.00 0.00 H new ATOM 0 HA ASN A 49 110.363 6.265 -12.143 1.00 0.00 H new ATOM 0 HB2 ASN A 49 112.350 4.513 -12.351 1.00 0.00 H new ATOM 0 HB3 ASN A 49 111.147 3.295 -11.976 1.00 0.00 H new ATOM 0 HD21 ASN A 49 110.869 5.298 -15.616 1.00 0.00 H new ATOM 0 HD22 ASN A 49 111.742 6.044 -14.274 1.00 0.00 H new ATOM 410 N GLY A 50 108.432 5.225 -10.282 1.00 0.00 N ATOM 411 CA GLY A 50 107.029 4.773 -10.009 1.00 0.00 C ATOM 412 C GLY A 50 107.001 3.435 -9.250 1.00 0.00 C ATOM 413 O GLY A 50 105.984 3.064 -8.687 1.00 0.00 O ATOM 0 H GLY A 50 108.827 5.857 -9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 50 106.508 5.533 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 50 106.490 4.669 -10.951 1.00 0.00 H new ATOM 417 N VAL A 51 108.089 2.702 -9.236 1.00 0.00 N ATOM 418 CA VAL A 51 108.097 1.385 -8.523 1.00 0.00 C ATOM 419 C VAL A 51 108.883 1.490 -7.212 1.00 0.00 C ATOM 420 O VAL A 51 110.012 1.944 -7.188 1.00 0.00 O ATOM 421 CB VAL A 51 108.788 0.417 -9.493 1.00 0.00 C ATOM 422 CG1 VAL A 51 108.857 -0.979 -8.868 1.00 0.00 C ATOM 423 CG2 VAL A 51 107.993 0.345 -10.799 1.00 0.00 C ATOM 0 H VAL A 51 108.968 2.957 -9.685 1.00 0.00 H new ATOM 0 HA VAL A 51 107.093 1.053 -8.258 1.00 0.00 H new ATOM 0 HB VAL A 51 109.797 0.775 -9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 51 109.348 -1.663 -9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 51 109.424 -0.934 -7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 51 107.848 -1.335 -8.661 1.00 0.00 H new ATOM 0 HG21 VAL A 51 108.485 -0.343 -11.487 1.00 0.00 H new ATOM 0 HG22 VAL A 51 106.983 -0.010 -10.591 1.00 0.00 H new ATOM 0 HG23 VAL A 51 107.944 1.336 -11.250 1.00 0.00 H new ATOM 433 N CYS A 52 108.291 1.062 -6.124 1.00 0.00 N ATOM 434 CA CYS A 52 108.996 1.121 -4.809 1.00 0.00 C ATOM 435 C CYS A 52 109.884 -0.114 -4.649 1.00 0.00 C ATOM 436 O CYS A 52 109.396 -1.208 -4.447 1.00 0.00 O ATOM 437 CB CYS A 52 107.886 1.115 -3.759 1.00 0.00 C ATOM 438 SG CYS A 52 106.880 2.609 -3.930 1.00 0.00 S ATOM 0 H CYS A 52 107.348 0.674 -6.091 1.00 0.00 H new ATOM 0 HA CYS A 52 109.634 2.000 -4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 52 107.263 0.229 -3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 52 108.318 1.068 -2.759 1.00 0.00 H new ATOM 0 HG CYS A 52 106.030 2.675 -2.948 1.00 0.00 H new ATOM 444 N TRP A 53 111.180 0.051 -4.741 1.00 0.00 N ATOM 445 CA TRP A 53 112.093 -1.123 -4.602 1.00 0.00 C ATOM 446 C TRP A 53 112.530 -1.295 -3.147 1.00 0.00 C ATOM 447 O TRP A 53 112.850 -0.340 -2.466 1.00 0.00 O ATOM 448 CB TRP A 53 113.296 -0.796 -5.487 1.00 0.00 C ATOM 449 CG TRP A 53 112.882 -0.829 -6.923 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.383 0.222 -7.610 1.00 0.00 C ATOM 451 CD2 TRP A 53 112.922 -1.947 -7.857 1.00 0.00 C ATOM 452 NE1 TRP A 53 112.116 -0.177 -8.907 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.431 -1.505 -9.108 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.332 -3.287 -7.742 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.350 -2.363 -10.206 1.00 0.00 C ATOM 456 CZ3 TRP A 53 113.252 -4.153 -8.844 1.00 0.00 C ATOM 457 CH2 TRP A 53 112.762 -3.692 -10.074 1.00 0.00 C ATOM 0 H TRP A 53 111.643 0.945 -4.906 1.00 0.00 H new ATOM 0 HA TRP A 53 111.609 -2.054 -4.896 1.00 0.00 H new ATOM 0 HB2 TRP A 53 113.690 0.188 -5.234 1.00 0.00 H new ATOM 0 HB3 TRP A 53 114.096 -1.515 -5.312 1.00 0.00 H new ATOM 0 HD1 TRP A 53 112.219 1.212 -7.211 1.00 0.00 H new ATOM 0 HE1 TRP A 53 111.733 0.436 -9.627 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.711 -3.653 -6.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 111.972 -2.002 -11.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 113.570 -5.180 -8.744 1.00 0.00 H new ATOM 0 HH2 TRP A 53 112.703 -4.363 -10.918 1.00 0.00 H new ATOM 468 N THR A 54 112.547 -2.513 -2.675 1.00 0.00 N ATOM 469 CA THR A 54 112.965 -2.777 -1.267 1.00 0.00 C ATOM 470 C THR A 54 113.891 -3.993 -1.226 1.00 0.00 C ATOM 471 O THR A 54 114.169 -4.601 -2.243 1.00 0.00 O ATOM 472 CB THR A 54 111.665 -3.075 -0.513 1.00 0.00 C ATOM 473 OG1 THR A 54 111.039 -4.209 -1.092 1.00 0.00 O ATOM 474 CG2 THR A 54 110.725 -1.871 -0.600 1.00 0.00 C ATOM 0 H THR A 54 112.287 -3.343 -3.209 1.00 0.00 H new ATOM 0 HA THR A 54 113.505 -1.938 -0.829 1.00 0.00 H new ATOM 0 HB THR A 54 111.892 -3.274 0.534 1.00 0.00 H new ATOM 0 HG1 THR A 54 110.128 -3.975 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.803 -2.090 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 54 111.207 -1.000 -0.155 1.00 0.00 H new ATOM 0 HG23 THR A 54 110.495 -1.664 -1.645 1.00 0.00 H new ATOM 482 N VAL A 55 114.356 -4.360 -0.060 1.00 0.00 N ATOM 483 CA VAL A 55 115.252 -5.550 0.044 1.00 0.00 C ATOM 484 C VAL A 55 114.399 -6.821 0.043 1.00 0.00 C ATOM 485 O VAL A 55 113.326 -6.852 0.617 1.00 0.00 O ATOM 486 CB VAL A 55 115.980 -5.385 1.381 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.905 -6.583 1.623 1.00 0.00 C ATOM 488 CG2 VAL A 55 116.809 -4.097 1.354 1.00 0.00 C ATOM 0 H VAL A 55 114.155 -3.889 0.822 1.00 0.00 H new ATOM 0 HA VAL A 55 115.956 -5.627 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 55 115.246 -5.332 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 55 117.420 -6.459 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 55 116.315 -7.499 1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 55 117.639 -6.644 0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 55 117.328 -3.978 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 55 117.539 -4.151 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 55 116.151 -3.244 1.191 1.00 0.00 H new ATOM 498 N TYR A 56 114.859 -7.864 -0.603 1.00 0.00 N ATOM 499 CA TYR A 56 114.061 -9.124 -0.645 1.00 0.00 C ATOM 500 C TYR A 56 114.323 -9.993 0.601 1.00 0.00 C ATOM 501 O TYR A 56 113.406 -10.567 1.159 1.00 0.00 O ATOM 502 CB TYR A 56 114.534 -9.830 -1.930 1.00 0.00 C ATOM 503 CG TYR A 56 114.087 -11.275 -1.929 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.890 -11.657 -2.548 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.874 -12.223 -1.274 1.00 0.00 C ATOM 506 CE1 TYR A 56 112.488 -12.999 -2.505 1.00 0.00 C ATOM 507 CE2 TYR A 56 114.479 -13.555 -1.232 1.00 0.00 C ATOM 508 CZ TYR A 56 113.283 -13.949 -1.846 1.00 0.00 C ATOM 509 OH TYR A 56 112.888 -15.271 -1.802 1.00 0.00 O ATOM 0 H TYR A 56 115.749 -7.896 -1.100 1.00 0.00 H new ATOM 0 HA TYR A 56 112.987 -8.936 -0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 56 114.131 -9.318 -2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.620 -9.778 -2.003 1.00 0.00 H new ATOM 0 HD1 TYR A 56 112.281 -10.923 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 56 115.795 -11.920 -0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.566 -13.302 -2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 56 115.093 -14.285 -0.727 1.00 0.00 H new ATOM 0 HH TYR A 56 113.553 -15.795 -1.308 1.00 0.00 H new ATOM 519 N HIS A 57 115.561 -10.130 1.011 1.00 0.00 N ATOM 520 CA HIS A 57 115.859 -11.006 2.187 1.00 0.00 C ATOM 521 C HIS A 57 115.101 -10.526 3.436 1.00 0.00 C ATOM 522 O HIS A 57 114.822 -11.297 4.335 1.00 0.00 O ATOM 523 CB HIS A 57 117.389 -10.958 2.365 1.00 0.00 C ATOM 524 CG HIS A 57 117.861 -9.686 3.024 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.772 -8.818 2.409 1.00 0.00 N ATOM 526 CD2 HIS A 57 117.603 -9.147 4.261 1.00 0.00 C ATOM 527 CE1 HIS A 57 119.028 -7.817 3.278 1.00 0.00 C ATOM 528 NE2 HIS A 57 118.339 -7.989 4.396 1.00 0.00 N ATOM 0 H HIS A 57 116.371 -9.678 0.587 1.00 0.00 H new ATOM 0 HA HIS A 57 115.527 -12.032 2.030 1.00 0.00 H new ATOM 0 HB2 HIS A 57 117.708 -11.812 2.963 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.867 -11.056 1.390 1.00 0.00 H new ATOM 0 HD1 HIS A 57 119.169 -8.923 1.475 1.00 0.00 H new ATOM 0 HD2 HIS A 57 116.936 -9.561 5.003 1.00 0.00 H new ATOM 0 HE1 HIS A 57 119.700 -6.993 3.088 1.00 0.00 H new ATOM 536 N GLY A 58 114.760 -9.263 3.486 1.00 0.00 N ATOM 537 CA GLY A 58 114.013 -8.731 4.663 1.00 0.00 C ATOM 538 C GLY A 58 112.527 -9.054 4.505 1.00 0.00 C ATOM 539 O GLY A 58 111.893 -9.557 5.413 1.00 0.00 O ATOM 0 H GLY A 58 114.968 -8.577 2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 58 114.397 -9.173 5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 58 114.156 -7.653 4.743 1.00 0.00 H new ATOM 543 N ALA A 59 111.970 -8.770 3.354 1.00 0.00 N ATOM 544 CA ALA A 59 110.523 -9.059 3.123 1.00 0.00 C ATOM 545 C ALA A 59 110.331 -10.534 2.756 1.00 0.00 C ATOM 546 O ALA A 59 109.687 -11.280 3.470 1.00 0.00 O ATOM 547 CB ALA A 59 110.118 -8.160 1.953 1.00 0.00 C ATOM 0 H ALA A 59 112.457 -8.349 2.563 1.00 0.00 H new ATOM 0 HA ALA A 59 109.919 -8.869 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 59 109.064 -8.315 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 59 110.280 -7.116 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 59 110.721 -8.407 1.079 1.00 0.00 H new ATOM 553 N GLY A 60 110.888 -10.955 1.649 1.00 0.00 N ATOM 554 CA GLY A 60 110.748 -12.380 1.227 1.00 0.00 C ATOM 555 C GLY A 60 109.655 -12.498 0.163 1.00 0.00 C ATOM 556 O GLY A 60 108.970 -11.540 -0.145 1.00 0.00 O ATOM 0 H GLY A 60 111.436 -10.370 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 60 111.695 -12.747 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 60 110.500 -13.001 2.087 1.00 0.00 H new ATOM 719 N THR A 72 100.094 -6.904 -3.695 1.00 0.00 N ATOM 720 CA THR A 72 100.498 -8.087 -4.512 1.00 0.00 C ATOM 721 C THR A 72 101.997 -8.033 -4.827 1.00 0.00 C ATOM 722 O THR A 72 102.582 -6.970 -4.926 1.00 0.00 O ATOM 723 CB THR A 72 99.666 -7.997 -5.799 1.00 0.00 C ATOM 724 OG1 THR A 72 99.996 -9.087 -6.647 1.00 0.00 O ATOM 725 CG2 THR A 72 99.953 -6.678 -6.527 1.00 0.00 C ATOM 0 HA THR A 72 100.323 -9.025 -3.986 1.00 0.00 H new ATOM 0 HB THR A 72 98.607 -8.034 -5.542 1.00 0.00 H new ATOM 0 HG1 THR A 72 99.465 -9.034 -7.469 1.00 0.00 H new ATOM 0 HG21 THR A 72 99.356 -6.628 -7.438 1.00 0.00 H new ATOM 0 HG22 THR A 72 99.696 -5.841 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 72 101.011 -6.627 -6.783 1.00 0.00 H new ATOM 733 N GLN A 73 102.618 -9.174 -4.979 1.00 0.00 N ATOM 734 CA GLN A 73 104.081 -9.206 -5.285 1.00 0.00 C ATOM 735 C GLN A 73 104.315 -8.942 -6.779 1.00 0.00 C ATOM 736 O GLN A 73 103.729 -9.584 -7.629 1.00 0.00 O ATOM 737 CB GLN A 73 104.528 -10.624 -4.904 1.00 0.00 C ATOM 738 CG GLN A 73 106.015 -10.811 -5.230 1.00 0.00 C ATOM 739 CD GLN A 73 106.155 -11.506 -6.586 1.00 0.00 C ATOM 740 OE1 GLN A 73 106.922 -10.979 -7.500 1.00 0.00 O flip ATOM 741 NE2 GLN A 73 105.560 -12.540 -6.815 1.00 0.00 N flip ATOM 0 H GLN A 73 102.174 -10.089 -4.904 1.00 0.00 H new ATOM 0 HA GLN A 73 104.639 -8.444 -4.742 1.00 0.00 H new ATOM 0 HB2 GLN A 73 104.356 -10.795 -3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 73 103.933 -11.359 -5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 73 106.518 -9.844 -5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 73 106.497 -11.405 -4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 73 104.960 -12.952 -6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 73 105.660 -12.996 -7.722 1.00 0.00 H new ATOM 750 N MET A 74 105.173 -8.003 -7.097 1.00 0.00 N ATOM 751 CA MET A 74 105.455 -7.696 -8.531 1.00 0.00 C ATOM 752 C MET A 74 106.836 -8.231 -8.923 1.00 0.00 C ATOM 753 O MET A 74 106.981 -8.933 -9.905 1.00 0.00 O ATOM 754 CB MET A 74 105.424 -6.170 -8.629 1.00 0.00 C ATOM 755 CG MET A 74 105.543 -5.749 -10.094 1.00 0.00 C ATOM 756 SD MET A 74 104.053 -6.252 -10.992 1.00 0.00 S ATOM 757 CE MET A 74 103.344 -4.599 -11.197 1.00 0.00 C ATOM 0 H MET A 74 105.689 -7.437 -6.424 1.00 0.00 H new ATOM 0 HA MET A 74 104.731 -8.159 -9.201 1.00 0.00 H new ATOM 0 HB2 MET A 74 104.496 -5.787 -8.204 1.00 0.00 H new ATOM 0 HB3 MET A 74 106.241 -5.741 -8.049 1.00 0.00 H new ATOM 0 HG2 MET A 74 105.675 -4.669 -10.163 1.00 0.00 H new ATOM 0 HG3 MET A 74 106.424 -6.207 -10.544 1.00 0.00 H new ATOM 0 HE1 MET A 74 102.400 -4.672 -11.737 1.00 0.00 H new ATOM 0 HE2 MET A 74 103.168 -4.155 -10.217 1.00 0.00 H new ATOM 0 HE3 MET A 74 104.036 -3.973 -11.760 1.00 0.00 H new ATOM 767 N TYR A 75 107.850 -7.907 -8.157 1.00 0.00 N ATOM 768 CA TYR A 75 109.224 -8.401 -8.481 1.00 0.00 C ATOM 769 C TYR A 75 109.776 -9.232 -7.316 1.00 0.00 C ATOM 770 O TYR A 75 109.606 -8.884 -6.163 1.00 0.00 O ATOM 771 CB TYR A 75 110.067 -7.141 -8.694 1.00 0.00 C ATOM 772 CG TYR A 75 109.544 -6.371 -9.886 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.396 -7.008 -11.124 1.00 0.00 C ATOM 774 CD2 TYR A 75 109.209 -5.018 -9.753 1.00 0.00 C ATOM 775 CE1 TYR A 75 108.913 -6.293 -12.226 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.726 -4.302 -10.854 1.00 0.00 C ATOM 777 CZ TYR A 75 108.578 -4.939 -12.092 1.00 0.00 C ATOM 778 OH TYR A 75 108.103 -4.234 -13.179 1.00 0.00 O ATOM 0 H TYR A 75 107.785 -7.323 -7.323 1.00 0.00 H new ATOM 0 HA TYR A 75 109.233 -9.044 -9.361 1.00 0.00 H new ATOM 0 HB2 TYR A 75 110.034 -6.515 -7.802 1.00 0.00 H new ATOM 0 HB3 TYR A 75 111.110 -7.413 -8.854 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.655 -8.051 -11.229 1.00 0.00 H new ATOM 0 HD2 TYR A 75 109.324 -4.526 -8.798 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.798 -6.785 -13.180 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.468 -3.259 -10.749 1.00 0.00 H new ATOM 0 HH TYR A 75 108.850 -3.793 -13.635 1.00 0.00 H new ATOM 788 N THR A 76 110.430 -10.327 -7.613 1.00 0.00 N ATOM 789 CA THR A 76 110.992 -11.192 -6.529 1.00 0.00 C ATOM 790 C THR A 76 112.221 -11.953 -7.043 1.00 0.00 C ATOM 791 O THR A 76 112.171 -12.603 -8.070 1.00 0.00 O ATOM 792 CB THR A 76 109.855 -12.160 -6.181 1.00 0.00 C ATOM 793 OG1 THR A 76 108.742 -11.417 -5.704 1.00 0.00 O ATOM 794 CG2 THR A 76 110.306 -13.145 -5.099 1.00 0.00 C ATOM 0 H THR A 76 110.600 -10.661 -8.562 1.00 0.00 H new ATOM 0 HA THR A 76 111.321 -10.620 -5.662 1.00 0.00 H new ATOM 0 HB THR A 76 109.578 -12.720 -7.074 1.00 0.00 H new ATOM 0 HG1 THR A 76 108.362 -10.889 -6.437 1.00 0.00 H new ATOM 0 HG21 THR A 76 109.488 -13.826 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 76 111.161 -13.717 -5.461 1.00 0.00 H new ATOM 0 HG23 THR A 76 110.591 -12.595 -4.202 1.00 0.00 H new ATOM 802 N ASN A 77 113.326 -11.873 -6.336 1.00 0.00 N ATOM 803 CA ASN A 77 114.561 -12.590 -6.787 1.00 0.00 C ATOM 804 C ASN A 77 115.625 -12.593 -5.681 1.00 0.00 C ATOM 805 O ASN A 77 116.075 -11.548 -5.247 1.00 0.00 O ATOM 806 CB ASN A 77 115.050 -11.786 -7.993 1.00 0.00 C ATOM 807 CG ASN A 77 116.278 -12.463 -8.604 1.00 0.00 C ATOM 808 OD1 ASN A 77 117.204 -12.819 -7.903 1.00 0.00 O ATOM 809 ND2 ASN A 77 116.326 -12.656 -9.893 1.00 0.00 N ATOM 0 H ASN A 77 113.424 -11.344 -5.470 1.00 0.00 H new ATOM 0 HA ASN A 77 114.365 -13.634 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.257 -11.711 -8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.298 -10.770 -7.688 1.00 0.00 H new ATOM 0 HD21 ASN A 77 117.140 -13.105 -10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 77 115.549 -12.358 -10.483 1.00 0.00 H new ATOM 816 N VAL A 78 116.042 -13.756 -5.232 1.00 0.00 N ATOM 817 CA VAL A 78 117.090 -13.813 -4.166 1.00 0.00 C ATOM 818 C VAL A 78 118.449 -13.414 -4.754 1.00 0.00 C ATOM 819 O VAL A 78 119.228 -12.728 -4.121 1.00 0.00 O ATOM 820 CB VAL A 78 117.113 -15.269 -3.663 1.00 0.00 C ATOM 821 CG1 VAL A 78 118.245 -15.459 -2.635 1.00 0.00 C ATOM 822 CG2 VAL A 78 115.778 -15.601 -2.992 1.00 0.00 C ATOM 0 H VAL A 78 115.703 -14.661 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 78 116.877 -13.125 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 78 117.280 -15.930 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 78 118.251 -16.492 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 78 119.203 -15.228 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 78 118.083 -14.792 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 78 115.796 -16.631 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 78 115.618 -14.929 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.969 -15.479 -3.712 1.00 0.00 H new ATOM 832 N ASP A 79 118.741 -13.844 -5.961 1.00 0.00 N ATOM 833 CA ASP A 79 120.058 -13.492 -6.589 1.00 0.00 C ATOM 834 C ASP A 79 120.234 -11.972 -6.607 1.00 0.00 C ATOM 835 O ASP A 79 121.287 -11.454 -6.288 1.00 0.00 O ATOM 836 CB ASP A 79 119.985 -14.039 -8.017 1.00 0.00 C ATOM 837 CG ASP A 79 120.689 -15.396 -8.083 1.00 0.00 C ATOM 838 OD1 ASP A 79 119.998 -16.401 -8.059 1.00 0.00 O ATOM 839 OD2 ASP A 79 121.907 -15.407 -8.155 1.00 0.00 O ATOM 0 H ASP A 79 118.127 -14.421 -6.536 1.00 0.00 H new ATOM 0 HA ASP A 79 120.902 -13.910 -6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 79 118.945 -14.142 -8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 79 120.454 -13.340 -8.709 1.00 0.00 H new ATOM 844 N GLN A 80 119.194 -11.261 -6.952 1.00 0.00 N ATOM 845 CA GLN A 80 119.270 -9.773 -6.965 1.00 0.00 C ATOM 846 C GLN A 80 118.815 -9.215 -5.609 1.00 0.00 C ATOM 847 O GLN A 80 119.030 -8.058 -5.305 1.00 0.00 O ATOM 848 CB GLN A 80 118.312 -9.335 -8.073 1.00 0.00 C ATOM 849 CG GLN A 80 118.917 -8.156 -8.839 1.00 0.00 C ATOM 850 CD GLN A 80 119.670 -8.676 -10.065 1.00 0.00 C ATOM 851 OE1 GLN A 80 120.153 -9.790 -10.069 1.00 0.00 O ATOM 852 NE2 GLN A 80 119.791 -7.908 -11.113 1.00 0.00 N ATOM 0 H GLN A 80 118.292 -11.649 -7.226 1.00 0.00 H new ATOM 0 HA GLN A 80 120.283 -9.410 -7.139 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.123 -10.165 -8.753 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.351 -9.049 -7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 80 118.131 -7.467 -9.147 1.00 0.00 H new ATOM 0 HG3 GLN A 80 119.594 -7.598 -8.193 1.00 0.00 H new ATOM 0 HE21 GLN A 80 119.385 -6.972 -11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 80 120.291 -8.243 -11.936 1.00 0.00 H new ATOM 861 N ASP A 81 118.178 -10.030 -4.785 1.00 0.00 N ATOM 862 CA ASP A 81 117.701 -9.556 -3.448 1.00 0.00 C ATOM 863 C ASP A 81 116.825 -8.309 -3.613 1.00 0.00 C ATOM 864 O ASP A 81 116.867 -7.402 -2.802 1.00 0.00 O ATOM 865 CB ASP A 81 118.967 -9.204 -2.664 1.00 0.00 C ATOM 866 CG ASP A 81 118.625 -8.989 -1.183 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.462 -8.823 -0.849 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.649 -8.987 -0.257 1.00 0.00 O ATOM 0 H ASP A 81 117.971 -11.007 -4.990 1.00 0.00 H new ATOM 0 HA ASP A 81 117.103 -10.312 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.701 -10.004 -2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.421 -8.302 -3.076 1.00 0.00 H new ATOM 874 N LEU A 82 116.057 -8.244 -4.673 1.00 0.00 N ATOM 875 CA LEU A 82 115.207 -7.038 -4.905 1.00 0.00 C ATOM 876 C LEU A 82 113.725 -7.400 -5.040 1.00 0.00 C ATOM 877 O LEU A 82 113.364 -8.460 -5.516 1.00 0.00 O ATOM 878 CB LEU A 82 115.724 -6.449 -6.220 1.00 0.00 C ATOM 879 CG LEU A 82 116.710 -5.318 -5.928 1.00 0.00 C ATOM 880 CD1 LEU A 82 117.656 -5.146 -7.118 1.00 0.00 C ATOM 881 CD2 LEU A 82 115.940 -4.016 -5.699 1.00 0.00 C ATOM 0 H LEU A 82 115.983 -8.971 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 82 115.271 -6.342 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 82 116.211 -7.225 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 82 114.891 -6.073 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 82 117.287 -5.561 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 82 118.359 -4.340 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 82 118.205 -6.073 -7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 82 117.078 -4.903 -8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 82 116.643 -3.209 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 82 115.363 -3.773 -6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 82 115.265 -4.137 -4.852 1.00 0.00 H new ATOM 893 N VAL A 83 112.873 -6.495 -4.641 1.00 0.00 N ATOM 894 CA VAL A 83 111.397 -6.713 -4.747 1.00 0.00 C ATOM 895 C VAL A 83 110.758 -5.350 -5.023 1.00 0.00 C ATOM 896 O VAL A 83 111.299 -4.332 -4.631 1.00 0.00 O ATOM 897 CB VAL A 83 110.914 -7.272 -3.393 1.00 0.00 C ATOM 898 CG1 VAL A 83 109.561 -7.958 -3.584 1.00 0.00 C ATOM 899 CG2 VAL A 83 111.902 -8.304 -2.842 1.00 0.00 C ATOM 0 H VAL A 83 113.140 -5.597 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 83 111.132 -7.410 -5.542 1.00 0.00 H new ATOM 0 HB VAL A 83 110.834 -6.442 -2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 83 109.216 -8.355 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 83 108.837 -7.235 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 83 109.664 -8.774 -4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 83 111.538 -8.682 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 83 111.997 -9.130 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 83 112.876 -7.835 -2.699 1.00 0.00 H new ATOM 909 N GLY A 84 109.639 -5.303 -5.704 1.00 0.00 N ATOM 910 CA GLY A 84 109.027 -3.972 -6.001 1.00 0.00 C ATOM 911 C GLY A 84 107.510 -3.997 -5.822 1.00 0.00 C ATOM 912 O GLY A 84 106.853 -4.992 -6.059 1.00 0.00 O ATOM 0 H GLY A 84 109.131 -6.112 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.459 -3.218 -5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.268 -3.680 -7.023 1.00 0.00 H new ATOM 916 N TRP A 85 106.961 -2.880 -5.421 1.00 0.00 N ATOM 917 CA TRP A 85 105.486 -2.765 -5.231 1.00 0.00 C ATOM 918 C TRP A 85 105.020 -1.413 -5.782 1.00 0.00 C ATOM 919 O TRP A 85 105.523 -0.375 -5.393 1.00 0.00 O ATOM 920 CB TRP A 85 105.264 -2.826 -3.719 1.00 0.00 C ATOM 921 CG TRP A 85 105.575 -4.198 -3.214 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.948 -5.332 -3.605 1.00 0.00 C ATOM 923 CD2 TRP A 85 106.570 -4.598 -2.229 1.00 0.00 C ATOM 924 NE1 TRP A 85 105.498 -6.403 -2.921 1.00 0.00 N ATOM 925 CE2 TRP A 85 106.502 -6.002 -2.064 1.00 0.00 C ATOM 926 CE3 TRP A 85 107.517 -3.886 -1.473 1.00 0.00 C ATOM 927 CZ2 TRP A 85 107.344 -6.674 -1.178 1.00 0.00 C ATOM 928 CZ3 TRP A 85 108.367 -4.559 -0.581 1.00 0.00 C ATOM 929 CH2 TRP A 85 108.281 -5.951 -0.434 1.00 0.00 C ATOM 0 H TRP A 85 107.483 -2.028 -5.214 1.00 0.00 H new ATOM 0 HA TRP A 85 104.932 -3.550 -5.746 1.00 0.00 H new ATOM 0 HB2 TRP A 85 105.898 -2.093 -3.220 1.00 0.00 H new ATOM 0 HB3 TRP A 85 104.232 -2.568 -3.484 1.00 0.00 H new ATOM 0 HD1 TRP A 85 104.150 -5.392 -4.331 1.00 0.00 H new ATOM 0 HE1 TRP A 85 105.197 -7.371 -3.037 1.00 0.00 H new ATOM 0 HE3 TRP A 85 107.591 -2.814 -1.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 107.273 -7.746 -1.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 109.091 -4.002 -0.005 1.00 0.00 H new ATOM 0 HH2 TRP A 85 108.938 -6.464 0.253 1.00 0.00 H new ATOM 940 N GLN A 86 104.075 -1.414 -6.687 1.00 0.00 N ATOM 941 CA GLN A 86 103.588 -0.121 -7.268 1.00 0.00 C ATOM 942 C GLN A 86 103.014 0.784 -6.172 1.00 0.00 C ATOM 943 O GLN A 86 102.264 0.346 -5.321 1.00 0.00 O ATOM 944 CB GLN A 86 102.499 -0.507 -8.278 1.00 0.00 C ATOM 945 CG GLN A 86 101.394 -1.322 -7.584 1.00 0.00 C ATOM 946 CD GLN A 86 100.040 -0.627 -7.768 1.00 0.00 C ATOM 947 OE1 GLN A 86 99.691 0.259 -7.013 1.00 0.00 O ATOM 948 NE2 GLN A 86 99.260 -0.994 -8.748 1.00 0.00 N ATOM 0 H GLN A 86 103.619 -2.251 -7.050 1.00 0.00 H new ATOM 0 HA GLN A 86 104.396 0.437 -7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 86 102.072 0.391 -8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 86 102.935 -1.090 -9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 86 101.356 -2.328 -8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 86 101.618 -1.425 -6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 86 99.553 -1.738 -9.382 1.00 0.00 H new ATOM 0 HE22 GLN A 86 98.358 -0.537 -8.880 1.00 0.00 H new ATOM 957 N ALA A 87 103.359 2.051 -6.194 1.00 0.00 N ATOM 958 CA ALA A 87 102.830 2.996 -5.160 1.00 0.00 C ATOM 959 C ALA A 87 101.683 3.826 -5.751 1.00 0.00 C ATOM 960 O ALA A 87 101.402 3.725 -6.929 1.00 0.00 O ATOM 961 CB ALA A 87 104.007 3.905 -4.793 1.00 0.00 C ATOM 0 H ALA A 87 103.983 2.470 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 87 102.440 2.471 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 87 103.690 4.624 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 87 104.824 3.301 -4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 87 104.346 4.438 -5.681 1.00 0.00 H new ATOM 967 N PRO A 88 101.060 4.636 -4.924 1.00 0.00 N ATOM 968 CA PRO A 88 99.951 5.487 -5.414 1.00 0.00 C ATOM 969 C PRO A 88 100.512 6.587 -6.326 1.00 0.00 C ATOM 970 O PRO A 88 101.622 7.036 -6.125 1.00 0.00 O ATOM 971 CB PRO A 88 99.355 6.078 -4.138 1.00 0.00 C ATOM 972 CG PRO A 88 100.466 6.037 -3.140 1.00 0.00 C ATOM 973 CD PRO A 88 101.316 4.843 -3.487 1.00 0.00 C ATOM 0 HA PRO A 88 99.209 4.945 -6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 88 99.007 7.098 -4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.497 5.499 -3.798 1.00 0.00 H new ATOM 0 HG2 PRO A 88 101.054 6.954 -3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 88 100.073 5.951 -2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 88 102.371 5.033 -3.292 1.00 0.00 H new ATOM 0 HD3 PRO A 88 101.036 3.968 -2.900 1.00 0.00 H new ATOM 981 N PRO A 89 99.737 6.988 -7.309 1.00 0.00 N ATOM 982 CA PRO A 89 100.204 8.041 -8.243 1.00 0.00 C ATOM 983 C PRO A 89 100.226 9.399 -7.541 1.00 0.00 C ATOM 984 O PRO A 89 99.291 9.767 -6.856 1.00 0.00 O ATOM 985 CB PRO A 89 99.166 8.018 -9.362 1.00 0.00 C ATOM 986 CG PRO A 89 97.933 7.451 -8.737 1.00 0.00 C ATOM 987 CD PRO A 89 98.380 6.522 -7.644 1.00 0.00 C ATOM 0 HA PRO A 89 101.216 7.873 -8.610 1.00 0.00 H new ATOM 0 HB2 PRO A 89 98.985 9.019 -9.753 1.00 0.00 H new ATOM 0 HB3 PRO A 89 99.502 7.405 -10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 89 97.305 8.246 -8.334 1.00 0.00 H new ATOM 0 HG3 PRO A 89 97.337 6.917 -9.477 1.00 0.00 H new ATOM 0 HD2 PRO A 89 97.716 6.574 -6.781 1.00 0.00 H new ATOM 0 HD3 PRO A 89 98.386 5.485 -7.980 1.00 0.00 H new ATOM 995 N GLY A 90 101.288 10.148 -7.711 1.00 0.00 N ATOM 996 CA GLY A 90 101.373 11.485 -7.059 1.00 0.00 C ATOM 997 C GLY A 90 102.719 11.649 -6.348 1.00 0.00 C ATOM 998 O GLY A 90 103.190 12.757 -6.166 1.00 0.00 O ATOM 0 H GLY A 90 102.098 9.888 -8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 90 101.252 12.269 -7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 90 100.560 11.599 -6.342 1.00 0.00 H new ATOM 1002 N ALA A 91 103.348 10.567 -5.939 1.00 0.00 N ATOM 1003 CA ALA A 91 104.664 10.703 -5.238 1.00 0.00 C ATOM 1004 C ALA A 91 105.560 9.478 -5.467 1.00 0.00 C ATOM 1005 O ALA A 91 105.804 8.705 -4.557 1.00 0.00 O ATOM 1006 CB ALA A 91 104.285 10.788 -3.760 1.00 0.00 C ATOM 0 H ALA A 91 103.011 9.612 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 91 105.226 11.564 -5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 91 105.188 10.890 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 91 103.641 11.653 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 91 103.755 9.882 -3.468 1.00 0.00 H new ATOM 1012 N ARG A 92 106.086 9.311 -6.655 1.00 0.00 N ATOM 1013 CA ARG A 92 106.997 8.151 -6.911 1.00 0.00 C ATOM 1014 C ARG A 92 107.959 8.468 -8.059 1.00 0.00 C ATOM 1015 O ARG A 92 107.651 8.230 -9.211 1.00 0.00 O ATOM 1016 CB ARG A 92 106.108 6.957 -7.294 1.00 0.00 C ATOM 1017 CG ARG A 92 105.230 6.494 -6.117 1.00 0.00 C ATOM 1018 CD ARG A 92 106.101 6.021 -4.944 1.00 0.00 C ATOM 1019 NE ARG A 92 105.277 6.272 -3.718 1.00 0.00 N ATOM 1020 CZ ARG A 92 105.621 5.772 -2.548 1.00 0.00 C ATOM 1021 NH1 ARG A 92 106.790 5.204 -2.361 1.00 0.00 N ATOM 1022 NH2 ARG A 92 104.781 5.845 -1.552 1.00 0.00 N ATOM 0 H ARG A 92 105.926 9.923 -7.455 1.00 0.00 H new ATOM 0 HA ARG A 92 107.594 7.932 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 92 105.472 7.233 -8.135 1.00 0.00 H new ATOM 0 HB3 ARG A 92 106.735 6.130 -7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 92 104.587 7.312 -5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 92 104.576 5.684 -6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 92 106.352 4.965 -5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 92 107.042 6.570 -4.906 1.00 0.00 H new ATOM 0 HE ARG A 92 104.433 6.841 -3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 92 107.456 5.142 -3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 92 107.032 4.825 -1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 92 103.870 6.285 -1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 92 105.035 5.462 -0.641 1.00 0.00 H new ATOM 1036 N SER A 93 109.125 8.995 -7.761 1.00 0.00 N ATOM 1037 CA SER A 93 110.110 9.312 -8.850 1.00 0.00 C ATOM 1038 C SER A 93 111.422 9.848 -8.270 1.00 0.00 C ATOM 1039 O SER A 93 111.506 10.987 -7.852 1.00 0.00 O ATOM 1040 CB SER A 93 109.441 10.387 -9.714 1.00 0.00 C ATOM 1041 OG SER A 93 108.770 11.315 -8.873 1.00 0.00 O ATOM 0 H SER A 93 109.437 9.219 -6.816 1.00 0.00 H new ATOM 0 HA SER A 93 110.360 8.419 -9.424 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.188 10.901 -10.319 1.00 0.00 H new ATOM 0 HB3 SER A 93 108.734 9.927 -10.404 1.00 0.00 H new ATOM 0 HG SER A 93 109.373 11.602 -8.156 1.00 0.00 H new ATOM 1047 N LEU A 94 112.450 9.037 -8.262 1.00 0.00 N ATOM 1048 CA LEU A 94 113.771 9.494 -7.732 1.00 0.00 C ATOM 1049 C LEU A 94 114.811 9.460 -8.858 1.00 0.00 C ATOM 1050 O LEU A 94 114.921 8.488 -9.580 1.00 0.00 O ATOM 1051 CB LEU A 94 114.131 8.494 -6.633 1.00 0.00 C ATOM 1052 CG LEU A 94 115.418 8.943 -5.935 1.00 0.00 C ATOM 1053 CD1 LEU A 94 115.126 10.161 -5.054 1.00 0.00 C ATOM 1054 CD2 LEU A 94 115.950 7.800 -5.066 1.00 0.00 C ATOM 0 H LEU A 94 112.431 8.075 -8.601 1.00 0.00 H new ATOM 0 HA LEU A 94 113.740 10.514 -7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 94 113.318 8.424 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 94 114.264 7.500 -7.060 1.00 0.00 H new ATOM 0 HG LEU A 94 116.164 9.209 -6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 94 116.043 10.479 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 94 114.747 10.975 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 94 114.380 9.897 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 94 116.866 8.118 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 94 115.204 7.534 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 94 116.159 6.933 -5.693 1.00 0.00 H new ATOM 1066 N THR A 95 115.566 10.519 -9.020 1.00 0.00 N ATOM 1067 CA THR A 95 116.592 10.555 -10.108 1.00 0.00 C ATOM 1068 C THR A 95 117.826 9.714 -9.723 1.00 0.00 C ATOM 1069 O THR A 95 118.281 9.782 -8.599 1.00 0.00 O ATOM 1070 CB THR A 95 116.968 12.035 -10.256 1.00 0.00 C ATOM 1071 OG1 THR A 95 117.943 12.171 -11.282 1.00 0.00 O ATOM 1072 CG2 THR A 95 117.537 12.572 -8.938 1.00 0.00 C ATOM 0 H THR A 95 115.516 11.360 -8.445 1.00 0.00 H new ATOM 0 HA THR A 95 116.212 10.137 -11.040 1.00 0.00 H new ATOM 0 HB THR A 95 116.076 12.605 -10.514 1.00 0.00 H new ATOM 0 HG1 THR A 95 118.184 13.116 -11.381 1.00 0.00 H new ATOM 0 HG21 THR A 95 117.800 13.623 -9.057 1.00 0.00 H new ATOM 0 HG22 THR A 95 116.789 12.471 -8.151 1.00 0.00 H new ATOM 0 HG23 THR A 95 118.427 12.004 -8.668 1.00 0.00 H new ATOM 1080 N PRO A 96 118.340 8.947 -10.667 1.00 0.00 N ATOM 1081 CA PRO A 96 119.531 8.109 -10.383 1.00 0.00 C ATOM 1082 C PRO A 96 120.793 8.976 -10.354 1.00 0.00 C ATOM 1083 O PRO A 96 120.784 10.113 -10.786 1.00 0.00 O ATOM 1084 CB PRO A 96 119.574 7.132 -11.554 1.00 0.00 C ATOM 1085 CG PRO A 96 118.863 7.825 -12.672 1.00 0.00 C ATOM 1086 CD PRO A 96 117.875 8.782 -12.056 1.00 0.00 C ATOM 0 HA PRO A 96 119.480 7.605 -9.418 1.00 0.00 H new ATOM 0 HB2 PRO A 96 120.601 6.893 -11.829 1.00 0.00 H new ATOM 0 HB3 PRO A 96 119.085 6.192 -11.300 1.00 0.00 H new ATOM 0 HG2 PRO A 96 119.572 8.360 -13.304 1.00 0.00 H new ATOM 0 HG3 PRO A 96 118.352 7.102 -13.308 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.861 9.734 -12.586 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.861 8.383 -12.091 1.00 0.00 H new ATOM 1094 N CYS A 97 121.879 8.444 -9.848 1.00 0.00 N ATOM 1095 CA CYS A 97 123.148 9.233 -9.790 1.00 0.00 C ATOM 1096 C CYS A 97 123.871 9.173 -11.138 1.00 0.00 C ATOM 1097 O CYS A 97 124.034 8.116 -11.719 1.00 0.00 O ATOM 1098 CB CYS A 97 123.986 8.562 -8.699 1.00 0.00 C ATOM 1099 SG CYS A 97 125.534 9.475 -8.468 1.00 0.00 S ATOM 0 H CYS A 97 121.941 7.498 -9.473 1.00 0.00 H new ATOM 0 HA CYS A 97 122.969 10.286 -9.574 1.00 0.00 H new ATOM 0 HB2 CYS A 97 123.427 8.533 -7.764 1.00 0.00 H new ATOM 0 HB3 CYS A 97 124.200 7.529 -8.975 1.00 0.00 H new ATOM 0 HG CYS A 97 125.346 10.440 -7.617 1.00 0.00 H new ATOM 1104 N THR A 98 124.310 10.302 -11.631 1.00 0.00 N ATOM 1105 CA THR A 98 125.034 10.329 -12.936 1.00 0.00 C ATOM 1106 C THR A 98 126.262 11.237 -12.829 1.00 0.00 C ATOM 1107 O THR A 98 126.478 12.100 -13.658 1.00 0.00 O ATOM 1108 CB THR A 98 124.027 10.888 -13.949 1.00 0.00 C ATOM 1109 OG1 THR A 98 124.648 10.984 -15.223 1.00 0.00 O ATOM 1110 CG2 THR A 98 123.552 12.277 -13.508 1.00 0.00 C ATOM 0 H THR A 98 124.197 11.211 -11.183 1.00 0.00 H new ATOM 0 HA THR A 98 125.390 9.343 -13.234 1.00 0.00 H new ATOM 0 HB THR A 98 123.168 10.220 -14.005 1.00 0.00 H new ATOM 0 HG1 THR A 98 125.443 11.553 -15.157 1.00 0.00 H new ATOM 0 HG21 THR A 98 122.837 12.665 -14.234 1.00 0.00 H new ATOM 0 HG22 THR A 98 123.074 12.205 -12.531 1.00 0.00 H new ATOM 0 HG23 THR A 98 124.407 12.951 -13.445 1.00 0.00 H new ATOM 1118 N CYS A 99 127.053 11.056 -11.802 1.00 0.00 N ATOM 1119 CA CYS A 99 128.263 11.922 -11.623 1.00 0.00 C ATOM 1120 C CYS A 99 129.451 11.152 -11.012 1.00 0.00 C ATOM 1121 O CYS A 99 130.508 11.716 -10.806 1.00 0.00 O ATOM 1122 CB CYS A 99 127.809 13.042 -10.676 1.00 0.00 C ATOM 1123 SG CYS A 99 127.224 12.341 -9.105 1.00 0.00 S ATOM 0 H CYS A 99 126.916 10.349 -11.080 1.00 0.00 H new ATOM 0 HA CYS A 99 128.620 12.295 -12.583 1.00 0.00 H new ATOM 0 HB2 CYS A 99 128.635 13.728 -10.491 1.00 0.00 H new ATOM 0 HB3 CYS A 99 127.012 13.621 -11.143 1.00 0.00 H new ATOM 0 HG CYS A 99 126.598 11.225 -9.334 1.00 0.00 H new ATOM 1128 N GLY A 100 129.300 9.875 -10.724 1.00 0.00 N ATOM 1129 CA GLY A 100 130.433 9.089 -10.134 1.00 0.00 C ATOM 1130 C GLY A 100 130.996 9.801 -8.898 1.00 0.00 C ATOM 1131 O GLY A 100 131.912 10.598 -8.995 1.00 0.00 O ATOM 0 H GLY A 100 128.441 9.346 -10.873 1.00 0.00 H new ATOM 0 HA2 GLY A 100 130.088 8.092 -9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 100 131.220 8.961 -10.877 1.00 0.00 H new ATOM 1135 N SER A 101 130.458 9.517 -7.738 1.00 0.00 N ATOM 1136 CA SER A 101 130.963 10.174 -6.494 1.00 0.00 C ATOM 1137 C SER A 101 131.255 9.122 -5.420 1.00 0.00 C ATOM 1138 O SER A 101 130.423 8.288 -5.115 1.00 0.00 O ATOM 1139 CB SER A 101 129.830 11.096 -6.047 1.00 0.00 C ATOM 1140 OG SER A 101 129.652 12.124 -7.012 1.00 0.00 O ATOM 0 H SER A 101 129.691 8.859 -7.599 1.00 0.00 H new ATOM 0 HA SER A 101 131.891 10.720 -6.663 1.00 0.00 H new ATOM 0 HB2 SER A 101 128.907 10.527 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 101 130.062 11.530 -5.075 1.00 0.00 H new ATOM 0 HG SER A 101 128.834 11.954 -7.524 1.00 0.00 H new ATOM 1146 N SER A 102 132.430 9.160 -4.845 1.00 0.00 N ATOM 1147 CA SER A 102 132.784 8.166 -3.785 1.00 0.00 C ATOM 1148 C SER A 102 131.959 8.426 -2.523 1.00 0.00 C ATOM 1149 O SER A 102 131.501 7.506 -1.870 1.00 0.00 O ATOM 1150 CB SER A 102 134.271 8.384 -3.506 1.00 0.00 C ATOM 1151 OG SER A 102 135.005 8.205 -4.710 1.00 0.00 O ATOM 0 H SER A 102 133.161 9.837 -5.064 1.00 0.00 H new ATOM 0 HA SER A 102 132.578 7.142 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.436 9.387 -3.112 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.617 7.682 -2.747 1.00 0.00 H new ATOM 0 HG SER A 102 135.959 8.346 -4.536 1.00 0.00 H new ATOM 1157 N ASP A 103 131.767 9.674 -2.177 1.00 0.00 N ATOM 1158 CA ASP A 103 130.969 10.005 -0.955 1.00 0.00 C ATOM 1159 C ASP A 103 129.529 9.508 -1.120 1.00 0.00 C ATOM 1160 O ASP A 103 128.962 9.574 -2.195 1.00 0.00 O ATOM 1161 CB ASP A 103 131.003 11.538 -0.841 1.00 0.00 C ATOM 1162 CG ASP A 103 131.713 11.947 0.453 1.00 0.00 C ATOM 1163 OD1 ASP A 103 132.880 12.295 0.380 1.00 0.00 O ATOM 1164 OD2 ASP A 103 131.077 11.905 1.493 1.00 0.00 O ATOM 0 H ASP A 103 132.128 10.479 -2.688 1.00 0.00 H new ATOM 0 HA ASP A 103 131.373 9.530 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 103 131.520 11.964 -1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 103 129.988 11.935 -0.851 1.00 0.00 H new ATOM 1169 N LEU A 104 128.939 9.011 -0.064 1.00 0.00 N ATOM 1170 CA LEU A 104 127.535 8.507 -0.149 1.00 0.00 C ATOM 1171 C LEU A 104 126.778 8.822 1.144 1.00 0.00 C ATOM 1172 O LEU A 104 127.371 9.029 2.186 1.00 0.00 O ATOM 1173 CB LEU A 104 127.665 6.993 -0.334 1.00 0.00 C ATOM 1174 CG LEU A 104 128.100 6.685 -1.767 1.00 0.00 C ATOM 1175 CD1 LEU A 104 128.378 5.188 -1.906 1.00 0.00 C ATOM 1176 CD2 LEU A 104 126.985 7.089 -2.734 1.00 0.00 C ATOM 0 H LEU A 104 129.370 8.932 0.857 1.00 0.00 H new ATOM 0 HA LEU A 104 126.981 8.973 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 104 128.393 6.592 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.713 6.508 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 104 129.006 7.245 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.688 4.969 -2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 104 129.171 4.900 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 104 127.473 4.627 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.293 6.870 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 104 126.080 6.529 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 104 126.787 8.156 -2.635 1.00 0.00 H new ATOM 1188 N TYR A 105 125.471 8.852 1.083 1.00 0.00 N ATOM 1189 CA TYR A 105 124.663 9.145 2.304 1.00 0.00 C ATOM 1190 C TYR A 105 123.626 8.039 2.521 1.00 0.00 C ATOM 1191 O TYR A 105 122.678 7.912 1.770 1.00 0.00 O ATOM 1192 CB TYR A 105 123.974 10.480 2.017 1.00 0.00 C ATOM 1193 CG TYR A 105 124.943 11.609 2.269 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.294 11.949 3.580 1.00 0.00 C ATOM 1195 CD2 TYR A 105 125.489 12.318 1.192 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.193 12.996 3.816 1.00 0.00 C ATOM 1197 CE2 TYR A 105 126.387 13.366 1.427 1.00 0.00 C ATOM 1198 CZ TYR A 105 126.738 13.705 2.740 1.00 0.00 C ATOM 1199 OH TYR A 105 127.624 14.738 2.970 1.00 0.00 O ATOM 0 H TYR A 105 124.927 8.685 0.236 1.00 0.00 H new ATOM 0 HA TYR A 105 125.275 9.192 3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.627 10.508 0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.095 10.592 2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 105 124.871 11.403 4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.217 12.056 0.180 1.00 0.00 H new ATOM 0 HE1 TYR A 105 126.466 13.256 4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 105 126.809 13.913 0.597 1.00 0.00 H new ATOM 0 HH TYR A 105 127.907 15.123 2.114 1.00 0.00 H new ATOM 1209 N LEU A 106 123.806 7.235 3.538 1.00 0.00 N ATOM 1210 CA LEU A 106 122.839 6.128 3.805 1.00 0.00 C ATOM 1211 C LEU A 106 121.765 6.583 4.798 1.00 0.00 C ATOM 1212 O LEU A 106 122.062 7.176 5.818 1.00 0.00 O ATOM 1213 CB LEU A 106 123.683 5.002 4.404 1.00 0.00 C ATOM 1214 CG LEU A 106 122.853 3.720 4.472 1.00 0.00 C ATOM 1215 CD1 LEU A 106 123.786 2.508 4.524 1.00 0.00 C ATOM 1216 CD2 LEU A 106 121.979 3.742 5.728 1.00 0.00 C ATOM 0 H LEU A 106 124.583 7.298 4.196 1.00 0.00 H new ATOM 0 HA LEU A 106 122.317 5.812 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.574 4.839 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 106 124.024 5.280 5.401 1.00 0.00 H new ATOM 0 HG LEU A 106 122.219 3.653 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 106 123.193 1.594 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 106 124.409 2.490 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 106 124.421 2.576 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 106 121.388 2.828 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 106 122.614 3.810 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 106 121.313 4.604 5.692 1.00 0.00 H new ATOM 1228 N VAL A 107 120.521 6.302 4.504 1.00 0.00 N ATOM 1229 CA VAL A 107 119.416 6.708 5.425 1.00 0.00 C ATOM 1230 C VAL A 107 119.012 5.520 6.305 1.00 0.00 C ATOM 1231 O VAL A 107 118.776 4.430 5.819 1.00 0.00 O ATOM 1232 CB VAL A 107 118.261 7.121 4.505 1.00 0.00 C ATOM 1233 CG1 VAL A 107 117.063 7.564 5.347 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.705 8.283 3.612 1.00 0.00 C ATOM 0 H VAL A 107 120.222 5.808 3.663 1.00 0.00 H new ATOM 0 HA VAL A 107 119.705 7.518 6.094 1.00 0.00 H new ATOM 0 HB VAL A 107 117.977 6.270 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.244 7.857 4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.741 6.740 5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.349 8.412 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.883 8.575 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 107 118.993 9.131 4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.556 7.972 3.006 1.00 0.00 H new ATOM 1244 N THR A 108 118.936 5.725 7.596 1.00 0.00 N ATOM 1245 CA THR A 108 118.553 4.612 8.516 1.00 0.00 C ATOM 1246 C THR A 108 117.070 4.709 8.885 1.00 0.00 C ATOM 1247 O THR A 108 116.413 5.692 8.598 1.00 0.00 O ATOM 1248 CB THR A 108 119.426 4.801 9.759 1.00 0.00 C ATOM 1249 OG1 THR A 108 119.164 6.075 10.329 1.00 0.00 O ATOM 1250 CG2 THR A 108 120.903 4.705 9.373 1.00 0.00 C ATOM 0 H THR A 108 119.123 6.617 8.053 1.00 0.00 H new ATOM 0 HA THR A 108 118.702 3.634 8.057 1.00 0.00 H new ATOM 0 HB THR A 108 119.195 4.022 10.486 1.00 0.00 H new ATOM 0 HG1 THR A 108 119.148 5.999 11.306 1.00 0.00 H new ATOM 0 HG21 THR A 108 121.521 4.840 10.261 1.00 0.00 H new ATOM 0 HG22 THR A 108 121.102 3.726 8.938 1.00 0.00 H new ATOM 0 HG23 THR A 108 121.140 5.481 8.645 1.00 0.00 H new ATOM 1258 N ARG A 109 116.545 3.693 9.518 1.00 0.00 N ATOM 1259 CA ARG A 109 115.101 3.711 9.914 1.00 0.00 C ATOM 1260 C ARG A 109 114.823 4.839 10.919 1.00 0.00 C ATOM 1261 O ARG A 109 113.691 5.243 11.105 1.00 0.00 O ATOM 1262 CB ARG A 109 114.836 2.340 10.552 1.00 0.00 C ATOM 1263 CG ARG A 109 115.742 2.144 11.772 1.00 0.00 C ATOM 1264 CD ARG A 109 115.283 0.911 12.555 1.00 0.00 C ATOM 1265 NE ARG A 109 114.286 1.428 13.541 1.00 0.00 N ATOM 1266 CZ ARG A 109 113.370 0.639 14.066 1.00 0.00 C ATOM 1267 NH1 ARG A 109 113.414 -0.663 13.904 1.00 0.00 N ATOM 1268 NH2 ARG A 109 112.401 1.163 14.765 1.00 0.00 N ATOM 0 H ARG A 109 117.053 2.848 9.780 1.00 0.00 H new ATOM 0 HA ARG A 109 114.452 3.893 9.058 1.00 0.00 H new ATOM 0 HB2 ARG A 109 113.790 2.265 10.850 1.00 0.00 H new ATOM 0 HB3 ARG A 109 115.018 1.550 9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 109 116.777 2.021 11.454 1.00 0.00 H new ATOM 0 HG3 ARG A 109 115.707 3.027 12.410 1.00 0.00 H new ATOM 0 HD2 ARG A 109 114.836 0.168 11.895 1.00 0.00 H new ATOM 0 HD3 ARG A 109 116.121 0.428 13.057 1.00 0.00 H new ATOM 0 HE ARG A 109 114.315 2.411 13.813 1.00 0.00 H new ATOM 0 HH11 ARG A 109 114.169 -1.084 13.362 1.00 0.00 H new ATOM 0 HH12 ARG A 109 112.694 -1.253 14.320 1.00 0.00 H new ATOM 0 HH21 ARG A 109 112.358 2.173 14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 109 111.686 0.563 15.176 1.00 0.00 H new ATOM 1282 N HIS A 110 115.845 5.348 11.569 1.00 0.00 N ATOM 1283 CA HIS A 110 115.636 6.446 12.561 1.00 0.00 C ATOM 1284 C HIS A 110 115.839 7.817 11.902 1.00 0.00 C ATOM 1285 O HIS A 110 116.174 8.784 12.559 1.00 0.00 O ATOM 1286 CB HIS A 110 116.695 6.210 13.639 1.00 0.00 C ATOM 1287 CG HIS A 110 116.123 5.336 14.721 1.00 0.00 C ATOM 1288 ND1 HIS A 110 116.318 3.963 14.742 1.00 0.00 N ATOM 1289 CD2 HIS A 110 115.362 5.623 15.826 1.00 0.00 C ATOM 1290 CE1 HIS A 110 115.685 3.481 15.827 1.00 0.00 C ATOM 1291 NE2 HIS A 110 115.085 4.451 16.523 1.00 0.00 N ATOM 0 H HIS A 110 116.813 5.049 11.453 1.00 0.00 H new ATOM 0 HA HIS A 110 114.625 6.441 12.968 1.00 0.00 H new ATOM 0 HB2 HIS A 110 117.575 5.738 13.202 1.00 0.00 H new ATOM 0 HB3 HIS A 110 117.020 7.162 14.059 1.00 0.00 H new ATOM 0 HD2 HIS A 110 115.028 6.610 16.112 1.00 0.00 H new ATOM 0 HE1 HIS A 110 115.664 2.437 16.102 1.00 0.00 H new ATOM 0 HE2 HIS A 110 114.541 4.353 17.380 1.00 0.00 H new ATOM 1299 N ALA A 111 115.634 7.908 10.608 1.00 0.00 N ATOM 1300 CA ALA A 111 115.809 9.215 9.891 1.00 0.00 C ATOM 1301 C ALA A 111 117.192 9.812 10.173 1.00 0.00 C ATOM 1302 O ALA A 111 117.335 11.008 10.352 1.00 0.00 O ATOM 1303 CB ALA A 111 114.707 10.130 10.437 1.00 0.00 C ATOM 0 H ALA A 111 115.351 7.129 10.014 1.00 0.00 H new ATOM 0 HA ALA A 111 115.738 9.092 8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 111 114.773 11.106 9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 111 113.732 9.689 10.230 1.00 0.00 H new ATOM 0 HB3 ALA A 111 114.831 10.246 11.514 1.00 0.00 H new ATOM 1309 N ASP A 112 118.208 8.988 10.211 1.00 0.00 N ATOM 1310 CA ASP A 112 119.586 9.500 10.476 1.00 0.00 C ATOM 1311 C ASP A 112 120.398 9.520 9.178 1.00 0.00 C ATOM 1312 O ASP A 112 119.999 8.947 8.181 1.00 0.00 O ATOM 1313 CB ASP A 112 120.192 8.512 11.474 1.00 0.00 C ATOM 1314 CG ASP A 112 121.297 9.205 12.273 1.00 0.00 C ATOM 1315 OD1 ASP A 112 122.343 9.464 11.700 1.00 0.00 O ATOM 1316 OD2 ASP A 112 121.078 9.469 13.444 1.00 0.00 O ATOM 0 H ASP A 112 118.142 7.980 10.069 1.00 0.00 H new ATOM 0 HA ASP A 112 119.582 10.518 10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 112 119.420 8.140 12.148 1.00 0.00 H new ATOM 0 HB3 ASP A 112 120.597 7.649 10.946 1.00 0.00 H new ATOM 1321 N VAL A 113 121.529 10.178 9.184 1.00 0.00 N ATOM 1322 CA VAL A 113 122.371 10.240 7.952 1.00 0.00 C ATOM 1323 C VAL A 113 123.840 9.954 8.292 1.00 0.00 C ATOM 1324 O VAL A 113 124.393 10.521 9.216 1.00 0.00 O ATOM 1325 CB VAL A 113 122.194 11.669 7.421 1.00 0.00 C ATOM 1326 CG1 VAL A 113 122.661 12.682 8.472 1.00 0.00 C ATOM 1327 CG2 VAL A 113 123.018 11.850 6.142 1.00 0.00 C ATOM 0 H VAL A 113 121.906 10.676 9.990 1.00 0.00 H new ATOM 0 HA VAL A 113 122.077 9.496 7.211 1.00 0.00 H new ATOM 0 HB VAL A 113 121.139 11.836 7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 113 122.531 13.693 8.086 1.00 0.00 H new ATOM 0 HG12 VAL A 113 122.071 12.562 9.380 1.00 0.00 H new ATOM 0 HG13 VAL A 113 123.714 12.512 8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 113 122.890 12.866 5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 113 124.071 11.673 6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 113 122.680 11.140 5.388 1.00 0.00 H new ATOM 1337 N ILE A 114 124.470 9.080 7.548 1.00 0.00 N ATOM 1338 CA ILE A 114 125.902 8.752 7.815 1.00 0.00 C ATOM 1339 C ILE A 114 126.699 8.773 6.496 1.00 0.00 C ATOM 1340 O ILE A 114 126.309 8.130 5.542 1.00 0.00 O ATOM 1341 CB ILE A 114 125.883 7.339 8.409 1.00 0.00 C ATOM 1342 CG1 ILE A 114 125.053 7.332 9.696 1.00 0.00 C ATOM 1343 CG2 ILE A 114 127.312 6.894 8.730 1.00 0.00 C ATOM 1344 CD1 ILE A 114 124.858 5.892 10.172 1.00 0.00 C ATOM 0 H ILE A 114 124.052 8.578 6.765 1.00 0.00 H new ATOM 0 HA ILE A 114 126.374 9.468 8.488 1.00 0.00 H new ATOM 0 HB ILE A 114 125.442 6.654 7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 114 125.555 7.916 10.468 1.00 0.00 H new ATOM 0 HG13 ILE A 114 124.085 7.802 9.519 1.00 0.00 H new ATOM 0 HG21 ILE A 114 127.294 5.889 9.152 1.00 0.00 H new ATOM 0 HG22 ILE A 114 127.907 6.893 7.817 1.00 0.00 H new ATOM 0 HG23 ILE A 114 127.754 7.582 9.450 1.00 0.00 H new ATOM 0 HD11 ILE A 114 124.267 5.888 11.088 1.00 0.00 H new ATOM 0 HD12 ILE A 114 124.338 5.322 9.402 1.00 0.00 H new ATOM 0 HD13 ILE A 114 125.830 5.438 10.365 1.00 0.00 H new ATOM 1356 N PRO A 115 127.795 9.509 6.470 1.00 0.00 N ATOM 1357 CA PRO A 115 128.616 9.580 5.235 1.00 0.00 C ATOM 1358 C PRO A 115 129.414 8.287 5.050 1.00 0.00 C ATOM 1359 O PRO A 115 130.152 7.873 5.924 1.00 0.00 O ATOM 1360 CB PRO A 115 129.548 10.761 5.487 1.00 0.00 C ATOM 1361 CG PRO A 115 129.647 10.873 6.975 1.00 0.00 C ATOM 1362 CD PRO A 115 128.366 10.329 7.553 1.00 0.00 C ATOM 0 HA PRO A 115 128.019 9.702 4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 115 130.527 10.592 5.039 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.151 11.677 5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 115 130.505 10.312 7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 115 129.792 11.911 7.273 1.00 0.00 H new ATOM 0 HD2 PRO A 115 128.554 9.733 8.446 1.00 0.00 H new ATOM 0 HD3 PRO A 115 127.688 11.132 7.843 1.00 0.00 H new ATOM 1370 N VAL A 116 129.272 7.651 3.915 1.00 0.00 N ATOM 1371 CA VAL A 116 130.020 6.382 3.660 1.00 0.00 C ATOM 1372 C VAL A 116 130.918 6.548 2.430 1.00 0.00 C ATOM 1373 O VAL A 116 130.474 6.981 1.383 1.00 0.00 O ATOM 1374 CB VAL A 116 128.939 5.325 3.406 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.592 3.965 3.138 1.00 0.00 C ATOM 1376 CG2 VAL A 116 128.032 5.212 4.635 1.00 0.00 C ATOM 0 H VAL A 116 128.669 7.957 3.152 1.00 0.00 H new ATOM 0 HA VAL A 116 130.666 6.103 4.492 1.00 0.00 H new ATOM 0 HB VAL A 116 128.350 5.622 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 116 128.818 3.219 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 116 130.237 4.037 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 116 130.187 3.670 4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 116 127.264 4.460 4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.627 4.921 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.559 6.175 4.828 1.00 0.00 H new ATOM 1386 N ARG A 117 132.176 6.205 2.550 1.00 0.00 N ATOM 1387 CA ARG A 117 133.108 6.338 1.391 1.00 0.00 C ATOM 1388 C ARG A 117 133.067 5.072 0.532 1.00 0.00 C ATOM 1389 O ARG A 117 133.063 3.967 1.041 1.00 0.00 O ATOM 1390 CB ARG A 117 134.492 6.520 2.012 1.00 0.00 C ATOM 1391 CG ARG A 117 134.591 7.907 2.648 1.00 0.00 C ATOM 1392 CD ARG A 117 134.729 8.964 1.550 1.00 0.00 C ATOM 1393 NE ARG A 117 135.066 10.229 2.271 1.00 0.00 N ATOM 1394 CZ ARG A 117 135.785 11.174 1.698 1.00 0.00 C ATOM 1395 NH1 ARG A 117 136.067 11.139 0.416 1.00 0.00 N ATOM 1396 NH2 ARG A 117 136.226 12.167 2.421 1.00 0.00 N ATOM 0 H ARG A 117 132.598 5.838 3.403 1.00 0.00 H new ATOM 0 HA ARG A 117 132.841 7.172 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.668 5.751 2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 117 135.262 6.403 1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 117 133.705 8.107 3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.449 7.951 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 117 135.510 8.695 0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 117 133.804 9.067 0.983 1.00 0.00 H new ATOM 0 HE ARG A 117 134.733 10.364 3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 117 135.728 10.369 -0.160 1.00 0.00 H new ATOM 0 HH12 ARG A 117 136.625 11.882 -0.004 1.00 0.00 H new ATOM 0 HH21 ARG A 117 136.013 12.206 3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 117 136.783 12.904 1.989 1.00 0.00 H new ATOM 1410 N ARG A 118 133.036 5.230 -0.766 1.00 0.00 N ATOM 1411 CA ARG A 118 132.995 4.040 -1.670 1.00 0.00 C ATOM 1412 C ARG A 118 134.367 3.363 -1.719 1.00 0.00 C ATOM 1413 O ARG A 118 135.390 4.020 -1.755 1.00 0.00 O ATOM 1414 CB ARG A 118 132.625 4.597 -3.048 1.00 0.00 C ATOM 1415 CG ARG A 118 132.277 3.444 -3.990 1.00 0.00 C ATOM 1416 CD ARG A 118 132.086 3.986 -5.410 1.00 0.00 C ATOM 1417 NE ARG A 118 131.341 2.914 -6.141 1.00 0.00 N ATOM 1418 CZ ARG A 118 130.702 3.171 -7.265 1.00 0.00 C ATOM 1419 NH1 ARG A 118 130.855 4.312 -7.895 1.00 0.00 N ATOM 1420 NH2 ARG A 118 129.904 2.267 -7.766 1.00 0.00 N ATOM 0 H ARG A 118 133.037 6.133 -1.240 1.00 0.00 H new ATOM 0 HA ARG A 118 132.282 3.290 -1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 118 131.778 5.277 -2.961 1.00 0.00 H new ATOM 0 HB3 ARG A 118 133.456 5.173 -3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 118 133.071 2.698 -3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 118 131.367 2.947 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 118 131.525 4.921 -5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 118 133.045 4.193 -5.885 1.00 0.00 H new ATOM 0 HE ARG A 118 131.327 1.967 -5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 118 131.480 5.024 -7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 118 130.349 4.487 -8.763 1.00 0.00 H new ATOM 0 HH21 ARG A 118 129.781 1.374 -7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 118 129.404 2.454 -8.635 1.00 0.00 H new ATOM 1434 N ARG A 119 134.392 2.054 -1.726 1.00 0.00 N ATOM 1435 CA ARG A 119 135.696 1.324 -1.780 1.00 0.00 C ATOM 1436 C ARG A 119 135.639 0.167 -2.794 1.00 0.00 C ATOM 1437 O ARG A 119 136.540 -0.648 -2.857 1.00 0.00 O ATOM 1438 CB ARG A 119 135.921 0.794 -0.355 1.00 0.00 C ATOM 1439 CG ARG A 119 134.820 -0.206 0.023 1.00 0.00 C ATOM 1440 CD ARG A 119 135.299 -1.635 -0.263 1.00 0.00 C ATOM 1441 NE ARG A 119 135.615 -2.227 1.077 1.00 0.00 N ATOM 1442 CZ ARG A 119 136.130 -3.436 1.183 1.00 0.00 C ATOM 1443 NH1 ARG A 119 136.203 -4.244 0.151 1.00 0.00 N ATOM 1444 NH2 ARG A 119 136.574 -3.839 2.343 1.00 0.00 N ATOM 0 H ARG A 119 133.565 1.458 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 119 136.509 1.973 -2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 119 136.897 0.313 -0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 119 135.926 1.624 0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 119 134.567 -0.101 1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 119 133.914 0.005 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 119 134.529 -2.212 -0.775 1.00 0.00 H new ATOM 0 HD3 ARG A 119 136.178 -1.633 -0.908 1.00 0.00 H new ATOM 0 HE ARG A 119 135.429 -1.686 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 119 135.857 -3.941 -0.759 1.00 0.00 H new ATOM 0 HH12 ARG A 119 136.606 -5.175 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 119 136.520 -3.221 3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 119 136.975 -4.772 2.440 1.00 0.00 H new ATOM 1458 N GLY A 120 134.593 0.088 -3.584 1.00 0.00 N ATOM 1459 CA GLY A 120 134.488 -1.014 -4.584 1.00 0.00 C ATOM 1460 C GLY A 120 133.329 -0.729 -5.540 1.00 0.00 C ATOM 1461 O GLY A 120 132.738 0.334 -5.511 1.00 0.00 O ATOM 0 H GLY A 120 133.809 0.741 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 120 135.420 -1.102 -5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 120 134.329 -1.965 -4.077 1.00 0.00 H new ATOM 1465 N ASP A 121 133.003 -1.672 -6.386 1.00 0.00 N ATOM 1466 CA ASP A 121 131.882 -1.464 -7.354 1.00 0.00 C ATOM 1467 C ASP A 121 130.532 -1.451 -6.625 1.00 0.00 C ATOM 1468 O ASP A 121 129.656 -0.670 -6.945 1.00 0.00 O ATOM 1469 CB ASP A 121 131.961 -2.645 -8.329 1.00 0.00 C ATOM 1470 CG ASP A 121 131.823 -3.967 -7.567 1.00 0.00 C ATOM 1471 OD1 ASP A 121 132.652 -4.221 -6.708 1.00 0.00 O ATOM 1472 OD2 ASP A 121 130.891 -4.699 -7.853 1.00 0.00 O ATOM 0 H ASP A 121 133.465 -2.579 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 121 131.966 -0.508 -7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 121 131.172 -2.563 -9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 121 132.910 -2.622 -8.864 1.00 0.00 H new ATOM 1477 N SER A 122 130.358 -2.314 -5.653 1.00 0.00 N ATOM 1478 CA SER A 122 129.061 -2.355 -4.909 1.00 0.00 C ATOM 1479 C SER A 122 129.286 -2.344 -3.390 1.00 0.00 C ATOM 1480 O SER A 122 128.360 -2.549 -2.626 1.00 0.00 O ATOM 1481 CB SER A 122 128.403 -3.666 -5.339 1.00 0.00 C ATOM 1482 OG SER A 122 129.207 -4.757 -4.909 1.00 0.00 O ATOM 0 H SER A 122 131.057 -2.990 -5.344 1.00 0.00 H new ATOM 0 HA SER A 122 128.444 -1.484 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 122 127.404 -3.743 -4.909 1.00 0.00 H new ATOM 0 HB3 SER A 122 128.286 -3.690 -6.422 1.00 0.00 H new ATOM 0 HG SER A 122 128.788 -5.600 -5.182 1.00 0.00 H new ATOM 1488 N ARG A 123 130.497 -2.106 -2.940 1.00 0.00 N ATOM 1489 CA ARG A 123 130.758 -2.082 -1.468 1.00 0.00 C ATOM 1490 C ARG A 123 131.379 -0.743 -1.064 1.00 0.00 C ATOM 1491 O ARG A 123 132.094 -0.124 -1.830 1.00 0.00 O ATOM 1492 CB ARG A 123 131.738 -3.229 -1.216 1.00 0.00 C ATOM 1493 CG ARG A 123 130.961 -4.509 -0.901 1.00 0.00 C ATOM 1494 CD ARG A 123 130.694 -5.279 -2.198 1.00 0.00 C ATOM 1495 NE ARG A 123 130.917 -6.719 -1.856 1.00 0.00 N ATOM 1496 CZ ARG A 123 130.968 -7.645 -2.793 1.00 0.00 C ATOM 1497 NH1 ARG A 123 131.025 -7.329 -4.066 1.00 0.00 N ATOM 1498 NH2 ARG A 123 130.966 -8.904 -2.447 1.00 0.00 N ATOM 0 H ARG A 123 131.311 -1.928 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 123 129.844 -2.196 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 123 132.369 -3.381 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.399 -2.980 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 123 131.528 -5.130 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 123 130.019 -4.263 -0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 123 129.677 -5.112 -2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 123 131.366 -4.955 -2.993 1.00 0.00 H new ATOM 0 HE ARG A 123 131.032 -6.989 -0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 123 131.031 -6.349 -4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 123 131.064 -8.064 -4.773 1.00 0.00 H new ATOM 0 HH21 ARG A 123 130.925 -9.162 -1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 123 131.005 -9.630 -3.163 1.00 0.00 H new ATOM 1512 N GLY A 124 131.107 -0.294 0.135 1.00 0.00 N ATOM 1513 CA GLY A 124 131.674 1.007 0.601 1.00 0.00 C ATOM 1514 C GLY A 124 132.140 0.868 2.052 1.00 0.00 C ATOM 1515 O GLY A 124 131.831 -0.099 2.720 1.00 0.00 O ATOM 0 H GLY A 124 130.515 -0.774 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.510 1.300 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 124 130.923 1.793 0.522 1.00 0.00 H new ATOM 1519 N SER A 125 132.881 1.830 2.542 1.00 0.00 N ATOM 1520 CA SER A 125 133.371 1.763 3.951 1.00 0.00 C ATOM 1521 C SER A 125 132.621 2.777 4.821 1.00 0.00 C ATOM 1522 O SER A 125 132.056 3.733 4.326 1.00 0.00 O ATOM 1523 CB SER A 125 134.855 2.117 3.871 1.00 0.00 C ATOM 1524 OG SER A 125 135.012 3.313 3.118 1.00 0.00 O ATOM 0 H SER A 125 133.168 2.661 2.025 1.00 0.00 H new ATOM 0 HA SER A 125 133.210 0.782 4.398 1.00 0.00 H new ATOM 0 HB2 SER A 125 135.264 2.248 4.873 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.410 1.304 3.404 1.00 0.00 H new ATOM 0 HG SER A 125 135.963 3.544 3.066 1.00 0.00 H new ATOM 1530 N LEU A 126 132.612 2.569 6.114 1.00 0.00 N ATOM 1531 CA LEU A 126 131.899 3.513 7.026 1.00 0.00 C ATOM 1532 C LEU A 126 132.891 4.169 7.992 1.00 0.00 C ATOM 1533 O LEU A 126 133.721 3.506 8.585 1.00 0.00 O ATOM 1534 CB LEU A 126 130.899 2.642 7.788 1.00 0.00 C ATOM 1535 CG LEU A 126 130.028 3.526 8.680 1.00 0.00 C ATOM 1536 CD1 LEU A 126 129.124 4.397 7.807 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.162 2.642 9.582 1.00 0.00 C ATOM 0 H LEU A 126 133.069 1.784 6.578 1.00 0.00 H new ATOM 0 HA LEU A 126 131.407 4.321 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.275 2.088 7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.429 1.906 8.393 1.00 0.00 H new ATOM 0 HG LEU A 126 130.665 4.162 9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 126 128.502 5.028 8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 126 129.738 5.025 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 126 128.487 3.760 7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 126 128.540 3.271 10.219 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.525 2.007 8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 126 129.804 2.018 10.204 1.00 0.00 H new ATOM 1549 N LEU A 127 132.809 5.466 8.150 1.00 0.00 N ATOM 1550 CA LEU A 127 133.747 6.175 9.075 1.00 0.00 C ATOM 1551 C LEU A 127 133.441 5.808 10.530 1.00 0.00 C ATOM 1552 O LEU A 127 134.336 5.565 11.318 1.00 0.00 O ATOM 1553 CB LEU A 127 133.497 7.666 8.840 1.00 0.00 C ATOM 1554 CG LEU A 127 134.210 8.111 7.563 1.00 0.00 C ATOM 1555 CD1 LEU A 127 133.340 7.780 6.349 1.00 0.00 C ATOM 1556 CD2 LEU A 127 134.455 9.620 7.618 1.00 0.00 C ATOM 0 H LEU A 127 132.132 6.066 7.678 1.00 0.00 H new ATOM 0 HA LEU A 127 134.785 5.901 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.427 7.857 8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.858 8.244 9.691 1.00 0.00 H new ATOM 0 HG LEU A 127 135.163 7.589 7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 127 133.849 8.098 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 127 133.164 6.705 6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 127 132.386 8.301 6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 127 134.963 9.939 6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 127 133.501 10.141 7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 127 135.075 9.857 8.482 1.00 0.00 H new ATOM 1568 N SER A 128 132.183 5.769 10.891 1.00 0.00 N ATOM 1569 CA SER A 128 131.811 5.421 12.294 1.00 0.00 C ATOM 1570 C SER A 128 131.438 3.931 12.390 1.00 0.00 C ATOM 1571 O SER A 128 130.430 3.525 11.848 1.00 0.00 O ATOM 1572 CB SER A 128 130.596 6.294 12.609 1.00 0.00 C ATOM 1573 OG SER A 128 129.585 6.062 11.637 1.00 0.00 O ATOM 0 H SER A 128 131.396 5.964 10.272 1.00 0.00 H new ATOM 0 HA SER A 128 132.630 5.592 12.992 1.00 0.00 H new ATOM 0 HB2 SER A 128 130.218 6.065 13.605 1.00 0.00 H new ATOM 0 HB3 SER A 128 130.881 7.346 12.610 1.00 0.00 H new ATOM 0 HG SER A 128 129.565 5.110 11.407 1.00 0.00 H new ATOM 1579 N PRO A 129 132.255 3.152 13.072 1.00 0.00 N ATOM 1580 CA PRO A 129 131.966 1.711 13.208 1.00 0.00 C ATOM 1581 C PRO A 129 130.934 1.470 14.315 1.00 0.00 C ATOM 1582 O PRO A 129 131.236 1.577 15.489 1.00 0.00 O ATOM 1583 CB PRO A 129 133.312 1.104 13.583 1.00 0.00 C ATOM 1584 CG PRO A 129 134.085 2.212 14.229 1.00 0.00 C ATOM 1585 CD PRO A 129 133.497 3.522 13.763 1.00 0.00 C ATOM 0 HA PRO A 129 131.546 1.276 12.301 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.187 0.263 14.265 1.00 0.00 H new ATOM 0 HB3 PRO A 129 133.831 0.725 12.702 1.00 0.00 H new ATOM 0 HG2 PRO A 129 134.029 2.134 15.315 1.00 0.00 H new ATOM 0 HG3 PRO A 129 135.139 2.150 13.959 1.00 0.00 H new ATOM 0 HD2 PRO A 129 133.299 4.188 14.603 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.180 4.047 13.095 1.00 0.00 H new ATOM 1593 N ARG A 130 129.723 1.138 13.947 1.00 0.00 N ATOM 1594 CA ARG A 130 128.666 0.880 14.971 1.00 0.00 C ATOM 1595 C ARG A 130 128.291 -0.611 14.970 1.00 0.00 C ATOM 1596 O ARG A 130 128.515 -1.293 13.992 1.00 0.00 O ATOM 1597 CB ARG A 130 127.473 1.739 14.545 1.00 0.00 C ATOM 1598 CG ARG A 130 127.801 3.226 14.748 1.00 0.00 C ATOM 1599 CD ARG A 130 127.749 3.968 13.406 1.00 0.00 C ATOM 1600 NE ARG A 130 126.309 3.943 13.002 1.00 0.00 N ATOM 1601 CZ ARG A 130 125.881 3.233 11.976 1.00 0.00 C ATOM 1602 NH1 ARG A 130 126.642 2.350 11.371 1.00 0.00 N ATOM 1603 NH2 ARG A 130 124.659 3.409 11.552 1.00 0.00 N ATOM 0 H ARG A 130 129.420 1.034 12.979 1.00 0.00 H new ATOM 0 HA ARG A 130 128.997 1.127 15.980 1.00 0.00 H new ATOM 0 HB2 ARG A 130 127.233 1.550 13.499 1.00 0.00 H new ATOM 0 HB3 ARG A 130 126.593 1.469 15.128 1.00 0.00 H new ATOM 0 HG2 ARG A 130 127.091 3.671 15.445 1.00 0.00 H new ATOM 0 HG3 ARG A 130 128.791 3.330 15.191 1.00 0.00 H new ATOM 0 HD2 ARG A 130 128.112 4.991 13.507 1.00 0.00 H new ATOM 0 HD3 ARG A 130 128.376 3.479 12.661 1.00 0.00 H new ATOM 0 HE ARG A 130 125.637 4.493 13.537 1.00 0.00 H new ATOM 0 HH11 ARG A 130 127.598 2.195 11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 130 126.277 1.819 10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 130 124.052 4.087 12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 130 124.311 2.869 10.760 1.00 0.00 H new ATOM 1617 N PRO A 131 127.737 -1.078 16.067 1.00 0.00 N ATOM 1618 CA PRO A 131 127.350 -2.509 16.162 1.00 0.00 C ATOM 1619 C PRO A 131 126.152 -2.812 15.255 1.00 0.00 C ATOM 1620 O PRO A 131 125.318 -1.962 15.010 1.00 0.00 O ATOM 1621 CB PRO A 131 126.977 -2.686 17.632 1.00 0.00 C ATOM 1622 CG PRO A 131 126.592 -1.321 18.099 1.00 0.00 C ATOM 1623 CD PRO A 131 127.415 -0.343 17.303 1.00 0.00 C ATOM 0 HA PRO A 131 128.145 -3.184 15.843 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.153 -3.390 17.748 1.00 0.00 H new ATOM 0 HB3 PRO A 131 127.815 -3.078 18.208 1.00 0.00 H new ATOM 0 HG2 PRO A 131 125.527 -1.146 17.946 1.00 0.00 H new ATOM 0 HG3 PRO A 131 126.783 -1.209 19.166 1.00 0.00 H new ATOM 0 HD2 PRO A 131 126.858 0.570 17.092 1.00 0.00 H new ATOM 0 HD3 PRO A 131 128.317 -0.049 17.840 1.00 0.00 H new ATOM 1631 N VAL A 132 126.059 -4.026 14.760 1.00 0.00 N ATOM 1632 CA VAL A 132 124.910 -4.402 13.871 1.00 0.00 C ATOM 1633 C VAL A 132 123.580 -4.083 14.578 1.00 0.00 C ATOM 1634 O VAL A 132 122.591 -3.782 13.941 1.00 0.00 O ATOM 1635 CB VAL A 132 125.071 -5.923 13.627 1.00 0.00 C ATOM 1636 CG1 VAL A 132 123.833 -6.505 12.917 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.311 -6.174 12.753 1.00 0.00 C ATOM 0 H VAL A 132 126.731 -4.774 14.934 1.00 0.00 H new ATOM 0 HA VAL A 132 124.904 -3.851 12.931 1.00 0.00 H new ATOM 0 HB VAL A 132 125.183 -6.413 14.594 1.00 0.00 H new ATOM 0 HG11 VAL A 132 123.974 -7.574 12.758 1.00 0.00 H new ATOM 0 HG12 VAL A 132 122.950 -6.343 13.535 1.00 0.00 H new ATOM 0 HG13 VAL A 132 123.699 -6.010 11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.424 -7.244 12.581 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.192 -5.664 11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.197 -5.792 13.260 1.00 0.00 H new ATOM 1647 N SER A 133 123.557 -4.157 15.885 1.00 0.00 N ATOM 1648 CA SER A 133 122.295 -3.869 16.639 1.00 0.00 C ATOM 1649 C SER A 133 121.811 -2.440 16.368 1.00 0.00 C ATOM 1650 O SER A 133 120.631 -2.204 16.187 1.00 0.00 O ATOM 1651 CB SER A 133 122.661 -4.036 18.115 1.00 0.00 C ATOM 1652 OG SER A 133 121.510 -3.793 18.913 1.00 0.00 O ATOM 0 H SER A 133 124.359 -4.405 16.465 1.00 0.00 H new ATOM 0 HA SER A 133 121.486 -4.535 16.338 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.038 -5.042 18.297 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.458 -3.343 18.385 1.00 0.00 H new ATOM 0 HG SER A 133 121.740 -3.900 19.860 1.00 0.00 H new ATOM 1658 N TYR A 134 122.711 -1.489 16.339 1.00 0.00 N ATOM 1659 CA TYR A 134 122.299 -0.074 16.079 1.00 0.00 C ATOM 1660 C TYR A 134 121.804 0.063 14.638 1.00 0.00 C ATOM 1661 O TYR A 134 120.838 0.748 14.362 1.00 0.00 O ATOM 1662 CB TYR A 134 123.563 0.762 16.298 1.00 0.00 C ATOM 1663 CG TYR A 134 123.246 2.226 16.106 1.00 0.00 C ATOM 1664 CD1 TYR A 134 122.528 2.924 17.085 1.00 0.00 C ATOM 1665 CD2 TYR A 134 123.671 2.883 14.947 1.00 0.00 C ATOM 1666 CE1 TYR A 134 122.236 4.281 16.903 1.00 0.00 C ATOM 1667 CE2 TYR A 134 123.378 4.240 14.764 1.00 0.00 C ATOM 1668 CZ TYR A 134 122.660 4.938 15.742 1.00 0.00 C ATOM 1669 OH TYR A 134 122.372 6.276 15.562 1.00 0.00 O ATOM 0 H TYR A 134 123.711 -1.630 16.484 1.00 0.00 H new ATOM 0 HA TYR A 134 121.488 0.249 16.731 1.00 0.00 H new ATOM 0 HB2 TYR A 134 123.953 0.593 17.302 1.00 0.00 H new ATOM 0 HB3 TYR A 134 124.340 0.454 15.599 1.00 0.00 H new ATOM 0 HD1 TYR A 134 122.200 2.416 17.980 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.225 2.344 14.193 1.00 0.00 H new ATOM 0 HE1 TYR A 134 121.684 4.821 17.658 1.00 0.00 H new ATOM 0 HE2 TYR A 134 123.706 4.748 13.869 1.00 0.00 H new ATOM 0 HH TYR A 134 122.739 6.577 14.705 1.00 0.00 H new ATOM 1679 N LEU A 135 122.467 -0.591 13.724 1.00 0.00 N ATOM 1680 CA LEU A 135 122.059 -0.522 12.289 1.00 0.00 C ATOM 1681 C LEU A 135 121.094 -1.669 11.954 1.00 0.00 C ATOM 1682 O LEU A 135 120.862 -1.972 10.800 1.00 0.00 O ATOM 1683 CB LEU A 135 123.385 -0.674 11.526 1.00 0.00 C ATOM 1684 CG LEU A 135 123.183 -0.510 10.009 1.00 0.00 C ATOM 1685 CD1 LEU A 135 122.491 0.820 9.695 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.551 -0.530 9.323 1.00 0.00 C ATOM 0 H LEU A 135 123.282 -1.176 13.910 1.00 0.00 H new ATOM 0 HA LEU A 135 121.535 0.399 12.034 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.098 0.069 11.882 1.00 0.00 H new ATOM 0 HB3 LEU A 135 123.815 -1.654 11.733 1.00 0.00 H new ATOM 0 HG LEU A 135 122.558 -1.326 9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 135 122.358 0.915 8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 135 121.518 0.848 10.185 1.00 0.00 H new ATOM 0 HD13 LEU A 135 123.104 1.644 10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.420 -0.415 8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.161 0.289 9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 135 125.047 -1.479 9.528 1.00 0.00 H new ATOM 1698 N LYS A 136 120.530 -2.316 12.952 1.00 0.00 N ATOM 1699 CA LYS A 136 119.598 -3.448 12.671 1.00 0.00 C ATOM 1700 C LYS A 136 118.220 -2.968 12.289 1.00 0.00 C ATOM 1701 O LYS A 136 117.498 -2.370 13.063 1.00 0.00 O ATOM 1702 CB LYS A 136 119.582 -4.309 13.934 1.00 0.00 C ATOM 1703 CG LYS A 136 119.512 -5.780 13.524 1.00 0.00 C ATOM 1704 CD LYS A 136 120.095 -6.653 14.635 1.00 0.00 C ATOM 1705 CE LYS A 136 120.787 -7.868 14.013 1.00 0.00 C ATOM 1706 NZ LYS A 136 121.686 -8.387 15.080 1.00 0.00 N ATOM 0 H LYS A 136 120.677 -2.107 13.940 1.00 0.00 H new ATOM 0 HA LYS A 136 119.936 -4.027 11.812 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.477 -4.125 14.528 1.00 0.00 H new ATOM 0 HB3 LYS A 136 118.726 -4.049 14.557 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.478 -6.064 13.330 1.00 0.00 H new ATOM 0 HG3 LYS A 136 120.065 -5.936 12.598 1.00 0.00 H new ATOM 0 HD2 LYS A 136 120.807 -6.079 15.229 1.00 0.00 H new ATOM 0 HD3 LYS A 136 119.304 -6.977 15.311 1.00 0.00 H new ATOM 0 HE2 LYS A 136 120.061 -8.622 13.707 1.00 0.00 H new ATOM 0 HE3 LYS A 136 121.351 -7.588 13.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 122.196 -9.222 14.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 122.370 -7.650 15.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 121.121 -8.652 15.912 1.00 0.00 H new ATOM 1720 N GLY A 137 117.869 -3.249 11.064 1.00 0.00 N ATOM 1721 CA GLY A 137 116.528 -2.832 10.557 1.00 0.00 C ATOM 1722 C GLY A 137 116.674 -1.577 9.705 1.00 0.00 C ATOM 1723 O GLY A 137 115.829 -0.700 9.725 1.00 0.00 O ATOM 0 H GLY A 137 118.451 -3.749 10.392 1.00 0.00 H new ATOM 0 HA2 GLY A 137 116.085 -3.635 9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 137 115.855 -2.641 11.393 1.00 0.00 H new ATOM 1727 N SER A 138 117.737 -1.489 8.951 1.00 0.00 N ATOM 1728 CA SER A 138 117.947 -0.298 8.083 1.00 0.00 C ATOM 1729 C SER A 138 118.013 -0.714 6.610 1.00 0.00 C ATOM 1730 O SER A 138 118.504 0.026 5.777 1.00 0.00 O ATOM 1731 CB SER A 138 119.281 0.293 8.535 1.00 0.00 C ATOM 1732 OG SER A 138 119.185 0.672 9.902 1.00 0.00 O ATOM 0 H SER A 138 118.471 -2.195 8.900 1.00 0.00 H new ATOM 0 HA SER A 138 117.133 0.421 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 138 120.079 -0.437 8.403 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.536 1.158 7.922 1.00 0.00 H new ATOM 0 HG SER A 138 119.493 1.596 10.008 1.00 0.00 H new ATOM 1738 N SER A 139 117.515 -1.886 6.274 1.00 0.00 N ATOM 1739 CA SER A 139 117.550 -2.323 4.845 1.00 0.00 C ATOM 1740 C SER A 139 116.562 -1.482 4.039 1.00 0.00 C ATOM 1741 O SER A 139 115.454 -1.229 4.476 1.00 0.00 O ATOM 1742 CB SER A 139 117.128 -3.789 4.857 1.00 0.00 C ATOM 1743 OG SER A 139 118.084 -4.549 5.583 1.00 0.00 O ATOM 0 H SER A 139 117.091 -2.549 6.923 1.00 0.00 H new ATOM 0 HA SER A 139 118.534 -2.200 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 139 116.143 -3.892 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 139 117.048 -4.164 3.837 1.00 0.00 H new ATOM 0 HG SER A 139 117.814 -5.491 5.593 1.00 0.00 H new ATOM 1749 N GLY A 140 116.957 -1.034 2.877 1.00 0.00 N ATOM 1750 CA GLY A 140 116.043 -0.192 2.051 1.00 0.00 C ATOM 1751 C GLY A 140 116.570 1.247 2.025 1.00 0.00 C ATOM 1752 O GLY A 140 116.305 1.994 1.103 1.00 0.00 O ATOM 0 H GLY A 140 117.872 -1.214 2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.981 -0.588 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 140 115.035 -0.215 2.464 1.00 0.00 H new ATOM 1756 N GLY A 141 117.319 1.640 3.032 1.00 0.00 N ATOM 1757 CA GLY A 141 117.873 3.029 3.071 1.00 0.00 C ATOM 1758 C GLY A 141 118.707 3.282 1.801 1.00 0.00 C ATOM 1759 O GLY A 141 119.737 2.663 1.622 1.00 0.00 O ATOM 0 H GLY A 141 117.569 1.055 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 141 117.062 3.754 3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 141 118.492 3.161 3.958 1.00 0.00 H new ATOM 1763 N PRO A 142 118.237 4.166 0.944 1.00 0.00 N ATOM 1764 CA PRO A 142 118.975 4.446 -0.311 1.00 0.00 C ATOM 1765 C PRO A 142 120.240 5.264 -0.036 1.00 0.00 C ATOM 1766 O PRO A 142 120.290 6.068 0.875 1.00 0.00 O ATOM 1767 CB PRO A 142 117.983 5.252 -1.144 1.00 0.00 C ATOM 1768 CG PRO A 142 117.064 5.885 -0.152 1.00 0.00 C ATOM 1769 CD PRO A 142 117.009 4.974 1.048 1.00 0.00 C ATOM 0 HA PRO A 142 119.310 3.537 -0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 142 118.493 6.005 -1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 142 117.436 4.610 -1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 142 117.425 6.873 0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 142 116.070 6.019 -0.579 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.983 5.542 1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 142 116.117 4.347 1.032 1.00 0.00 H new ATOM 1777 N LEU A 143 121.256 5.063 -0.835 1.00 0.00 N ATOM 1778 CA LEU A 143 122.526 5.826 -0.657 1.00 0.00 C ATOM 1779 C LEU A 143 122.545 7.000 -1.636 1.00 0.00 C ATOM 1780 O LEU A 143 122.538 6.810 -2.838 1.00 0.00 O ATOM 1781 CB LEU A 143 123.638 4.829 -0.989 1.00 0.00 C ATOM 1782 CG LEU A 143 123.681 3.732 0.076 1.00 0.00 C ATOM 1783 CD1 LEU A 143 124.519 2.558 -0.437 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.315 4.287 1.353 1.00 0.00 C ATOM 0 H LEU A 143 121.259 4.398 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 143 122.641 6.232 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 143 123.464 4.389 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 143 124.598 5.343 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 143 122.668 3.392 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 143 124.551 1.775 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 143 124.071 2.163 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 143 125.532 2.899 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 143 124.346 3.506 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 143 125.329 4.625 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 143 123.722 5.126 1.719 1.00 0.00 H new ATOM 1796 N LEU A 144 122.552 8.208 -1.135 1.00 0.00 N ATOM 1797 CA LEU A 144 122.553 9.396 -2.041 1.00 0.00 C ATOM 1798 C LEU A 144 123.945 10.027 -2.117 1.00 0.00 C ATOM 1799 O LEU A 144 124.550 10.345 -1.111 1.00 0.00 O ATOM 1800 CB LEU A 144 121.559 10.373 -1.412 1.00 0.00 C ATOM 1801 CG LEU A 144 120.133 9.949 -1.766 1.00 0.00 C ATOM 1802 CD1 LEU A 144 119.644 8.906 -0.759 1.00 0.00 C ATOM 1803 CD2 LEU A 144 119.212 11.169 -1.720 1.00 0.00 C ATOM 0 H LEU A 144 122.557 8.424 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 144 122.280 9.126 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 144 121.686 10.391 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 144 121.749 11.384 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 144 120.121 9.520 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 144 118.628 8.604 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 144 120.299 8.035 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 144 119.656 9.334 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 144 118.195 10.867 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 144 119.225 11.597 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 144 119.558 11.913 -2.437 1.00 0.00 H new ATOM 1815 N CYS A 145 124.444 10.221 -3.311 1.00 0.00 N ATOM 1816 CA CYS A 145 125.792 10.848 -3.477 1.00 0.00 C ATOM 1817 C CYS A 145 125.732 12.321 -3.033 1.00 0.00 C ATOM 1818 O CYS A 145 124.655 12.867 -2.891 1.00 0.00 O ATOM 1819 CB CYS A 145 126.108 10.729 -4.981 1.00 0.00 C ATOM 1820 SG CYS A 145 124.862 11.608 -5.964 1.00 0.00 S ATOM 0 H CYS A 145 123.975 9.972 -4.182 1.00 0.00 H new ATOM 0 HA CYS A 145 126.561 10.366 -2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 145 127.097 11.140 -5.184 1.00 0.00 H new ATOM 0 HB3 CYS A 145 126.134 9.679 -5.271 1.00 0.00 H new ATOM 0 HG CYS A 145 123.712 11.015 -5.838 1.00 0.00 H new ATOM 1825 N PRO A 146 126.880 12.929 -2.824 1.00 0.00 N ATOM 1826 CA PRO A 146 126.903 14.352 -2.394 1.00 0.00 C ATOM 1827 C PRO A 146 126.336 15.269 -3.487 1.00 0.00 C ATOM 1828 O PRO A 146 126.023 16.417 -3.234 1.00 0.00 O ATOM 1829 CB PRO A 146 128.385 14.629 -2.142 1.00 0.00 C ATOM 1830 CG PRO A 146 129.104 13.619 -2.972 1.00 0.00 C ATOM 1831 CD PRO A 146 128.242 12.386 -2.965 1.00 0.00 C ATOM 0 HA PRO A 146 126.288 14.540 -1.514 1.00 0.00 H new ATOM 0 HB2 PRO A 146 128.653 15.645 -2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 146 128.634 14.524 -1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 146 129.254 13.984 -3.988 1.00 0.00 H new ATOM 0 HG3 PRO A 146 130.091 13.407 -2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 146 128.353 11.812 -3.885 1.00 0.00 H new ATOM 0 HD3 PRO A 146 128.498 11.720 -2.140 1.00 0.00 H new ATOM 1839 N SER A 147 126.189 14.775 -4.696 1.00 0.00 N ATOM 1840 CA SER A 147 125.629 15.627 -5.791 1.00 0.00 C ATOM 1841 C SER A 147 124.144 15.896 -5.530 1.00 0.00 C ATOM 1842 O SER A 147 123.658 16.991 -5.739 1.00 0.00 O ATOM 1843 CB SER A 147 125.810 14.814 -7.073 1.00 0.00 C ATOM 1844 OG SER A 147 125.645 15.669 -8.198 1.00 0.00 O ATOM 0 H SER A 147 126.432 13.823 -4.969 1.00 0.00 H new ATOM 0 HA SER A 147 126.127 16.594 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 147 126.799 14.357 -7.091 1.00 0.00 H new ATOM 0 HB3 SER A 147 125.083 14.002 -7.109 1.00 0.00 H new ATOM 0 HG SER A 147 125.762 15.152 -9.022 1.00 0.00 H new ATOM 1850 N GLY A 148 123.423 14.903 -5.066 1.00 0.00 N ATOM 1851 CA GLY A 148 121.970 15.095 -4.778 1.00 0.00 C ATOM 1852 C GLY A 148 121.138 14.097 -5.588 1.00 0.00 C ATOM 1853 O GLY A 148 120.067 14.421 -6.067 1.00 0.00 O ATOM 0 H GLY A 148 123.781 13.967 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 148 121.781 14.959 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 148 121.673 16.114 -5.026 1.00 0.00 H new ATOM 1857 N HIS A 149 121.617 12.887 -5.743 1.00 0.00 N ATOM 1858 CA HIS A 149 120.851 11.863 -6.520 1.00 0.00 C ATOM 1859 C HIS A 149 120.816 10.534 -5.757 1.00 0.00 C ATOM 1860 O HIS A 149 121.256 10.447 -4.627 1.00 0.00 O ATOM 1861 CB HIS A 149 121.612 11.697 -7.839 1.00 0.00 C ATOM 1862 CG HIS A 149 121.684 13.014 -8.565 1.00 0.00 C ATOM 1863 ND1 HIS A 149 120.786 14.046 -8.693 1.00 0.00 N flip ATOM 1864 CD2 HIS A 149 122.802 13.397 -9.290 1.00 0.00 C flip ATOM 1865 CE1 HIS A 149 121.335 15.052 -9.482 1.00 0.00 C flip ATOM 1866 NE2 HIS A 149 122.551 14.610 -9.816 1.00 0.00 N flip ATOM 0 H HIS A 149 122.507 12.564 -5.364 1.00 0.00 H new ATOM 0 HA HIS A 149 119.817 12.168 -6.683 1.00 0.00 H new ATOM 0 HB2 HIS A 149 122.618 11.326 -7.643 1.00 0.00 H new ATOM 0 HB3 HIS A 149 121.114 10.955 -8.464 1.00 0.00 H new ATOM 0 HD1 HIS A 149 119.857 14.071 -8.273 1.00 0.00 H new ATOM 0 HD2 HIS A 149 123.710 12.825 -9.411 1.00 0.00 H new ATOM 0 HE1 HIS A 149 120.877 15.989 -9.764 1.00 0.00 H new ATOM 1874 N ALA A 150 120.296 9.500 -6.372 1.00 0.00 N ATOM 1875 CA ALA A 150 120.229 8.169 -5.693 1.00 0.00 C ATOM 1876 C ALA A 150 121.302 7.232 -6.260 1.00 0.00 C ATOM 1877 O ALA A 150 121.621 7.281 -7.432 1.00 0.00 O ATOM 1878 CB ALA A 150 118.829 7.637 -6.006 1.00 0.00 C ATOM 0 H ALA A 150 119.914 9.521 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 150 120.407 8.241 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 150 118.699 6.659 -5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 150 118.082 8.327 -5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.708 7.545 -7.085 1.00 0.00 H new ATOM 1884 N VAL A 151 121.860 6.382 -5.433 1.00 0.00 N ATOM 1885 CA VAL A 151 122.918 5.442 -5.918 1.00 0.00 C ATOM 1886 C VAL A 151 122.438 3.990 -5.804 1.00 0.00 C ATOM 1887 O VAL A 151 122.320 3.290 -6.792 1.00 0.00 O ATOM 1888 CB VAL A 151 124.126 5.681 -5.005 1.00 0.00 C ATOM 1889 CG1 VAL A 151 125.293 4.801 -5.460 1.00 0.00 C ATOM 1890 CG2 VAL A 151 124.548 7.152 -5.077 1.00 0.00 C ATOM 0 H VAL A 151 121.628 6.299 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 151 123.163 5.613 -6.966 1.00 0.00 H new ATOM 0 HB VAL A 151 123.853 5.431 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 151 126.152 4.971 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 151 125.000 3.752 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 151 125.559 5.052 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 151 125.407 7.316 -4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 151 124.817 7.404 -6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 151 123.721 7.784 -4.753 1.00 0.00 H new ATOM 1900 N GLY A 152 122.168 3.533 -4.604 1.00 0.00 N ATOM 1901 CA GLY A 152 121.703 2.121 -4.425 1.00 0.00 C ATOM 1902 C GLY A 152 120.933 1.989 -3.109 1.00 0.00 C ATOM 1903 O GLY A 152 120.435 2.958 -2.575 1.00 0.00 O ATOM 0 H GLY A 152 122.249 4.075 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 152 121.066 1.830 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 152 122.558 1.445 -4.426 1.00 0.00 H new ATOM 1907 N ILE A 153 120.831 0.790 -2.588 1.00 0.00 N ATOM 1908 CA ILE A 153 120.091 0.577 -1.304 1.00 0.00 C ATOM 1909 C ILE A 153 120.917 -0.311 -0.363 1.00 0.00 C ATOM 1910 O ILE A 153 121.633 -1.191 -0.802 1.00 0.00 O ATOM 1911 CB ILE A 153 118.790 -0.125 -1.712 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.977 0.791 -2.629 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.960 -0.447 -0.466 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.812 0.006 -3.232 1.00 0.00 C ATOM 0 H ILE A 153 121.230 -0.054 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 153 119.899 1.509 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 153 119.036 -1.049 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 153 117.601 1.645 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 153 118.612 1.186 -3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 153 117.037 -0.946 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 153 118.531 -1.102 0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.720 0.477 0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 153 116.233 0.659 -3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 153 117.199 -0.834 -3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 153 116.172 -0.367 -2.432 1.00 0.00 H new ATOM 1926 N PHE A 154 120.822 -0.087 0.928 1.00 0.00 N ATOM 1927 CA PHE A 154 121.606 -0.920 1.894 1.00 0.00 C ATOM 1928 C PHE A 154 121.187 -2.387 1.798 1.00 0.00 C ATOM 1929 O PHE A 154 120.019 -2.702 1.659 1.00 0.00 O ATOM 1930 CB PHE A 154 121.287 -0.370 3.288 1.00 0.00 C ATOM 1931 CG PHE A 154 122.215 -1.006 4.307 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.598 -1.063 4.068 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.690 -1.549 5.486 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.449 -1.661 5.004 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.544 -2.144 6.424 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.922 -2.200 6.183 1.00 0.00 C ATOM 0 H PHE A 154 120.238 0.634 1.352 1.00 0.00 H new ATOM 0 HA PHE A 154 122.674 -0.873 1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.405 0.714 3.299 1.00 0.00 H new ATOM 0 HB3 PHE A 154 120.249 -0.580 3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 154 124.005 -0.644 3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.627 -1.509 5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.512 -1.707 4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 154 122.139 -2.560 7.334 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.578 -2.659 6.907 1.00 0.00 H new ATOM 1946 N ARG A 155 122.138 -3.282 1.873 1.00 0.00 N ATOM 1947 CA ARG A 155 121.819 -4.737 1.787 1.00 0.00 C ATOM 1948 C ARG A 155 122.201 -5.449 3.092 1.00 0.00 C ATOM 1949 O ARG A 155 121.354 -5.793 3.906 1.00 0.00 O ATOM 1950 CB ARG A 155 122.679 -5.257 0.629 1.00 0.00 C ATOM 1951 CG ARG A 155 121.872 -5.255 -0.666 1.00 0.00 C ATOM 1952 CD ARG A 155 121.402 -6.677 -0.985 1.00 0.00 C ATOM 1953 NE ARG A 155 120.531 -6.520 -2.187 1.00 0.00 N ATOM 1954 CZ ARG A 155 119.355 -5.928 -2.111 1.00 0.00 C ATOM 1955 NH1 ARG A 155 118.811 -5.629 -0.954 1.00 0.00 N ATOM 1956 NH2 ARG A 155 118.718 -5.633 -3.209 1.00 0.00 N ATOM 0 H ARG A 155 123.128 -3.065 1.991 1.00 0.00 H new ATOM 0 HA ARG A 155 120.756 -4.916 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 155 123.565 -4.633 0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 155 123.026 -6.267 0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 155 121.013 -4.591 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 155 122.481 -4.871 -1.484 1.00 0.00 H new ATOM 0 HD2 ARG A 155 122.245 -7.338 -1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 155 120.852 -7.110 -0.150 1.00 0.00 H new ATOM 0 HE ARG A 155 120.852 -6.878 -3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 155 119.299 -5.855 -0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 155 117.900 -5.171 -0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 155 119.130 -5.860 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 155 117.808 -5.175 -3.163 1.00 0.00 H new ATOM 1970 N ALA A 156 123.473 -5.685 3.291 1.00 0.00 N ATOM 1971 CA ALA A 156 123.909 -6.387 4.522 1.00 0.00 C ATOM 1972 C ALA A 156 124.957 -5.577 5.278 1.00 0.00 C ATOM 1973 O ALA A 156 125.778 -4.892 4.698 1.00 0.00 O ATOM 1974 CB ALA A 156 124.514 -7.703 4.031 1.00 0.00 C ATOM 0 H ALA A 156 124.223 -5.420 2.652 1.00 0.00 H new ATOM 0 HA ALA A 156 123.079 -6.539 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.862 -8.284 4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 156 123.758 -8.271 3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 156 125.354 -7.493 3.368 1.00 0.00 H new ATOM 1980 N ALA A 157 124.936 -5.688 6.570 1.00 0.00 N ATOM 1981 CA ALA A 157 125.935 -4.968 7.416 1.00 0.00 C ATOM 1982 C ALA A 157 127.122 -5.905 7.672 1.00 0.00 C ATOM 1983 O ALA A 157 126.955 -7.023 8.121 1.00 0.00 O ATOM 1984 CB ALA A 157 125.204 -4.649 8.720 1.00 0.00 C ATOM 0 H ALA A 157 124.263 -6.253 7.089 1.00 0.00 H new ATOM 0 HA ALA A 157 126.318 -4.060 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 157 125.877 -4.118 9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.336 -4.024 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.877 -5.576 9.190 1.00 0.00 H new ATOM 1990 N VAL A 158 128.310 -5.469 7.345 1.00 0.00 N ATOM 1991 CA VAL A 158 129.514 -6.348 7.515 1.00 0.00 C ATOM 1992 C VAL A 158 130.217 -6.065 8.844 1.00 0.00 C ATOM 1993 O VAL A 158 130.691 -4.971 9.078 1.00 0.00 O ATOM 1994 CB VAL A 158 130.470 -6.001 6.352 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.435 -7.177 6.116 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.688 -5.713 5.057 1.00 0.00 C ATOM 0 H VAL A 158 128.503 -4.542 6.967 1.00 0.00 H new ATOM 0 HA VAL A 158 129.223 -7.398 7.512 1.00 0.00 H new ATOM 0 HB VAL A 158 131.029 -5.105 6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 158 132.111 -6.934 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 158 132.014 -7.360 7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 158 130.864 -8.071 5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 158 130.387 -5.472 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 158 129.107 -6.593 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 158 129.016 -4.870 5.218 1.00 0.00 H new ATOM 2006 N CYS A 159 130.304 -7.050 9.706 1.00 0.00 N ATOM 2007 CA CYS A 159 130.996 -6.837 11.013 1.00 0.00 C ATOM 2008 C CYS A 159 131.839 -8.065 11.384 1.00 0.00 C ATOM 2009 O CYS A 159 131.477 -9.188 11.092 1.00 0.00 O ATOM 2010 CB CYS A 159 129.876 -6.609 12.036 1.00 0.00 C ATOM 2011 SG CYS A 159 128.786 -8.055 12.105 1.00 0.00 S ATOM 0 H CYS A 159 129.927 -7.987 9.561 1.00 0.00 H new ATOM 0 HA CYS A 159 131.682 -5.991 10.977 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.305 -6.421 13.020 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.301 -5.724 11.765 1.00 0.00 H new ATOM 0 HG CYS A 159 129.439 -9.110 11.717 1.00 0.00 H new ATOM 2017 N THR A 160 132.957 -7.851 12.033 1.00 0.00 N ATOM 2018 CA THR A 160 133.826 -8.999 12.435 1.00 0.00 C ATOM 2019 C THR A 160 133.254 -9.671 13.686 1.00 0.00 C ATOM 2020 O THR A 160 133.087 -10.875 13.734 1.00 0.00 O ATOM 2021 CB THR A 160 135.193 -8.378 12.736 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.642 -7.653 11.599 1.00 0.00 O ATOM 2023 CG2 THR A 160 136.197 -9.485 13.067 1.00 0.00 C ATOM 0 H THR A 160 133.305 -6.931 12.302 1.00 0.00 H new ATOM 0 HA THR A 160 133.891 -9.763 11.660 1.00 0.00 H new ATOM 0 HB THR A 160 135.107 -7.703 13.587 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.516 -7.253 11.790 1.00 0.00 H new ATOM 0 HG21 THR A 160 137.170 -9.042 13.281 1.00 0.00 H new ATOM 0 HG22 THR A 160 135.852 -10.041 13.939 1.00 0.00 H new ATOM 0 HG23 THR A 160 136.286 -10.162 12.217 1.00 0.00 H new ATOM 2031 N ARG A 161 132.949 -8.896 14.694 1.00 0.00 N ATOM 2032 CA ARG A 161 132.378 -9.470 15.950 1.00 0.00 C ATOM 2033 C ARG A 161 131.106 -8.710 16.340 1.00 0.00 C ATOM 2034 O ARG A 161 130.833 -8.490 17.506 1.00 0.00 O ATOM 2035 CB ARG A 161 133.471 -9.296 17.005 1.00 0.00 C ATOM 2036 CG ARG A 161 133.809 -7.813 17.176 1.00 0.00 C ATOM 2037 CD ARG A 161 134.844 -7.664 18.288 1.00 0.00 C ATOM 2038 NE ARG A 161 134.446 -6.427 19.027 1.00 0.00 N ATOM 2039 CZ ARG A 161 134.804 -6.234 20.281 1.00 0.00 C ATOM 2040 NH1 ARG A 161 135.683 -7.011 20.870 1.00 0.00 N ATOM 2041 NH2 ARG A 161 134.274 -5.247 20.951 1.00 0.00 N ATOM 0 H ARG A 161 133.072 -7.883 14.702 1.00 0.00 H new ATOM 0 HA ARG A 161 132.097 -10.517 15.840 1.00 0.00 H new ATOM 0 HB2 ARG A 161 133.139 -9.713 17.956 1.00 0.00 H new ATOM 0 HB3 ARG A 161 134.363 -9.848 16.709 1.00 0.00 H new ATOM 0 HG2 ARG A 161 134.198 -7.405 16.243 1.00 0.00 H new ATOM 0 HG3 ARG A 161 132.910 -7.248 17.421 1.00 0.00 H new ATOM 0 HD2 ARG A 161 134.844 -8.533 18.946 1.00 0.00 H new ATOM 0 HD3 ARG A 161 135.851 -7.573 17.880 1.00 0.00 H new ATOM 0 HE ARG A 161 133.887 -5.719 18.552 1.00 0.00 H new ATOM 0 HH11 ARG A 161 136.105 -7.784 20.356 1.00 0.00 H new ATOM 0 HH12 ARG A 161 135.944 -6.841 21.841 1.00 0.00 H new ATOM 0 HH21 ARG A 161 133.591 -4.636 20.504 1.00 0.00 H new ATOM 0 HH22 ARG A 161 134.543 -5.087 21.922 1.00 0.00 H new ATOM 2055 N GLY A 162 130.337 -8.302 15.366 1.00 0.00 N ATOM 2056 CA GLY A 162 129.083 -7.544 15.651 1.00 0.00 C ATOM 2057 C GLY A 162 129.301 -6.047 15.380 1.00 0.00 C ATOM 2058 O GLY A 162 128.356 -5.284 15.326 1.00 0.00 O ATOM 0 H GLY A 162 130.525 -8.463 14.377 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.271 -7.920 15.028 1.00 0.00 H new ATOM 0 HA3 GLY A 162 128.785 -7.695 16.689 1.00 0.00 H new ATOM 2062 N VAL A 163 130.534 -5.622 15.194 1.00 0.00 N ATOM 2063 CA VAL A 163 130.798 -4.179 14.908 1.00 0.00 C ATOM 2064 C VAL A 163 130.819 -3.967 13.393 1.00 0.00 C ATOM 2065 O VAL A 163 131.596 -4.580 12.688 1.00 0.00 O ATOM 2066 CB VAL A 163 132.173 -3.890 15.518 1.00 0.00 C ATOM 2067 CG1 VAL A 163 132.546 -2.425 15.280 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.132 -4.161 17.025 1.00 0.00 C ATOM 0 H VAL A 163 131.363 -6.215 15.229 1.00 0.00 H new ATOM 0 HA VAL A 163 130.037 -3.518 15.323 1.00 0.00 H new ATOM 0 HB VAL A 163 132.916 -4.535 15.049 1.00 0.00 H new ATOM 0 HG11 VAL A 163 133.525 -2.223 15.715 1.00 0.00 H new ATOM 0 HG12 VAL A 163 132.578 -2.227 14.209 1.00 0.00 H new ATOM 0 HG13 VAL A 163 131.802 -1.780 15.746 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.111 -3.955 17.458 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.386 -3.517 17.490 1.00 0.00 H new ATOM 0 HG23 VAL A 163 131.870 -5.204 17.200 1.00 0.00 H new ATOM 2078 N ALA A 164 129.962 -3.118 12.888 1.00 0.00 N ATOM 2079 CA ALA A 164 129.913 -2.882 11.414 1.00 0.00 C ATOM 2080 C ALA A 164 130.904 -1.794 10.994 1.00 0.00 C ATOM 2081 O ALA A 164 130.788 -0.648 11.383 1.00 0.00 O ATOM 2082 CB ALA A 164 128.480 -2.432 11.136 1.00 0.00 C ATOM 0 H ALA A 164 129.292 -2.576 13.434 1.00 0.00 H new ATOM 0 HA ALA A 164 130.185 -3.777 10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.360 -2.237 10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 164 127.787 -3.216 11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.269 -1.522 11.697 1.00 0.00 H new ATOM 2088 N LYS A 165 131.870 -2.155 10.188 1.00 0.00 N ATOM 2089 CA LYS A 165 132.875 -1.160 9.712 1.00 0.00 C ATOM 2090 C LYS A 165 132.680 -0.904 8.214 1.00 0.00 C ATOM 2091 O LYS A 165 132.951 0.173 7.718 1.00 0.00 O ATOM 2092 CB LYS A 165 134.234 -1.812 9.972 1.00 0.00 C ATOM 2093 CG LYS A 165 134.410 -2.050 11.473 1.00 0.00 C ATOM 2094 CD LYS A 165 135.769 -2.702 11.731 1.00 0.00 C ATOM 2095 CE LYS A 165 135.946 -2.941 13.233 1.00 0.00 C ATOM 2096 NZ LYS A 165 137.141 -3.823 13.346 1.00 0.00 N ATOM 0 H LYS A 165 132.005 -3.103 9.838 1.00 0.00 H new ATOM 0 HA LYS A 165 132.784 -0.199 10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.305 -2.757 9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.033 -1.172 9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 165 134.340 -1.105 12.012 1.00 0.00 H new ATOM 0 HG3 LYS A 165 133.611 -2.690 11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 165 135.839 -3.646 11.191 1.00 0.00 H new ATOM 0 HD3 LYS A 165 136.568 -2.061 11.358 1.00 0.00 H new ATOM 0 HE2 LYS A 165 136.096 -2.003 13.767 1.00 0.00 H new ATOM 0 HE3 LYS A 165 135.064 -3.415 13.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 137.325 -4.031 14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 136.966 -4.711 12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 137.967 -3.343 12.934 1.00 0.00 H new ATOM 2110 N ALA A 166 132.205 -1.891 7.496 1.00 0.00 N ATOM 2111 CA ALA A 166 131.979 -1.725 6.029 1.00 0.00 C ATOM 2112 C ALA A 166 130.500 -1.950 5.699 1.00 0.00 C ATOM 2113 O ALA A 166 129.740 -2.423 6.524 1.00 0.00 O ATOM 2114 CB ALA A 166 132.847 -2.796 5.366 1.00 0.00 C ATOM 0 H ALA A 166 131.963 -2.810 7.866 1.00 0.00 H new ATOM 0 HA ALA A 166 132.237 -0.725 5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.734 -2.737 4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.892 -2.633 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.535 -3.782 5.710 1.00 0.00 H new ATOM 2120 N VAL A 167 130.090 -1.614 4.503 1.00 0.00 N ATOM 2121 CA VAL A 167 128.658 -1.803 4.117 1.00 0.00 C ATOM 2122 C VAL A 167 128.542 -2.167 2.632 1.00 0.00 C ATOM 2123 O VAL A 167 129.206 -1.595 1.789 1.00 0.00 O ATOM 2124 CB VAL A 167 127.984 -0.455 4.397 1.00 0.00 C ATOM 2125 CG1 VAL A 167 128.086 -0.135 5.889 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.674 0.653 3.593 1.00 0.00 C ATOM 0 H VAL A 167 130.685 -1.217 3.776 1.00 0.00 H new ATOM 0 HA VAL A 167 128.191 -2.615 4.674 1.00 0.00 H new ATOM 0 HB VAL A 167 126.936 -0.513 4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.607 0.823 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.588 -0.916 6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 167 129.135 -0.084 6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 167 128.189 1.607 3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.724 0.711 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.601 0.430 2.529 1.00 0.00 H new ATOM 2136 N ASP A 168 127.698 -3.116 2.313 1.00 0.00 N ATOM 2137 CA ASP A 168 127.523 -3.529 0.886 1.00 0.00 C ATOM 2138 C ASP A 168 126.119 -3.158 0.390 1.00 0.00 C ATOM 2139 O ASP A 168 125.156 -3.230 1.128 1.00 0.00 O ATOM 2140 CB ASP A 168 127.709 -5.044 0.896 1.00 0.00 C ATOM 2141 CG ASP A 168 127.879 -5.555 -0.538 1.00 0.00 C ATOM 2142 OD1 ASP A 168 127.292 -4.965 -1.430 1.00 0.00 O ATOM 2143 OD2 ASP A 168 128.592 -6.528 -0.717 1.00 0.00 O ATOM 0 H ASP A 168 127.120 -3.625 2.982 1.00 0.00 H new ATOM 0 HA ASP A 168 128.229 -3.033 0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 168 128.582 -5.308 1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.848 -5.522 1.363 1.00 0.00 H new ATOM 2148 N PHE A 169 126.004 -2.757 -0.855 1.00 0.00 N ATOM 2149 CA PHE A 169 124.667 -2.372 -1.411 1.00 0.00 C ATOM 2150 C PHE A 169 124.594 -2.669 -2.917 1.00 0.00 C ATOM 2151 O PHE A 169 125.604 -2.827 -3.575 1.00 0.00 O ATOM 2152 CB PHE A 169 124.547 -0.862 -1.154 1.00 0.00 C ATOM 2153 CG PHE A 169 125.694 -0.129 -1.816 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.566 0.329 -3.132 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.884 0.089 -1.111 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.628 1.005 -3.745 1.00 0.00 C ATOM 2157 CE2 PHE A 169 127.946 0.764 -1.724 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.818 1.223 -3.040 1.00 0.00 C ATOM 0 H PHE A 169 126.781 -2.680 -1.511 1.00 0.00 H new ATOM 0 HA PHE A 169 123.858 -2.934 -0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.597 -0.494 -1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.551 -0.666 -0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.648 0.161 -3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 169 126.982 -0.263 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 169 126.529 1.358 -4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.865 0.931 -1.181 1.00 0.00 H new ATOM 0 HZ PHE A 169 128.637 1.745 -3.512 1.00 0.00 H new ATOM 2168 N VAL A 170 123.401 -2.726 -3.467 1.00 0.00 N ATOM 2169 CA VAL A 170 123.257 -2.990 -4.942 1.00 0.00 C ATOM 2170 C VAL A 170 122.968 -1.679 -5.688 1.00 0.00 C ATOM 2171 O VAL A 170 122.263 -0.831 -5.178 1.00 0.00 O ATOM 2172 CB VAL A 170 122.072 -3.959 -5.133 1.00 0.00 C ATOM 2173 CG1 VAL A 170 122.475 -5.370 -4.715 1.00 0.00 C ATOM 2174 CG2 VAL A 170 120.854 -3.507 -4.314 1.00 0.00 C ATOM 0 H VAL A 170 122.523 -2.602 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 170 124.178 -3.419 -5.338 1.00 0.00 H new ATOM 0 HB VAL A 170 121.801 -3.956 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 170 121.631 -6.046 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 170 123.313 -5.705 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 170 122.770 -5.368 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 170 120.033 -4.207 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 170 121.116 -3.480 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 170 120.547 -2.512 -4.637 1.00 0.00 H new ATOM 2184 N PRO A 171 123.510 -1.548 -6.882 1.00 0.00 N ATOM 2185 CA PRO A 171 123.273 -0.323 -7.678 1.00 0.00 C ATOM 2186 C PRO A 171 121.902 -0.391 -8.356 1.00 0.00 C ATOM 2187 O PRO A 171 121.270 -1.431 -8.392 1.00 0.00 O ATOM 2188 CB PRO A 171 124.388 -0.348 -8.718 1.00 0.00 C ATOM 2189 CG PRO A 171 124.766 -1.789 -8.866 1.00 0.00 C ATOM 2190 CD PRO A 171 124.379 -2.502 -7.593 1.00 0.00 C ATOM 0 HA PRO A 171 123.277 0.586 -7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 171 124.049 0.068 -9.667 1.00 0.00 H new ATOM 0 HB3 PRO A 171 125.240 0.250 -8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 171 124.256 -2.232 -9.722 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.836 -1.886 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.855 -3.434 -7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 171 125.257 -2.757 -6.999 1.00 0.00 H new ATOM 2198 N VAL A 172 121.444 0.706 -8.899 1.00 0.00 N ATOM 2199 CA VAL A 172 120.114 0.714 -9.588 1.00 0.00 C ATOM 2200 C VAL A 172 120.166 -0.164 -10.847 1.00 0.00 C ATOM 2201 O VAL A 172 119.153 -0.644 -11.320 1.00 0.00 O ATOM 2202 CB VAL A 172 119.865 2.178 -9.968 1.00 0.00 C ATOM 2203 CG1 VAL A 172 118.521 2.307 -10.691 1.00 0.00 C ATOM 2204 CG2 VAL A 172 119.839 3.043 -8.702 1.00 0.00 C ATOM 0 H VAL A 172 121.933 1.601 -8.896 1.00 0.00 H new ATOM 0 HA VAL A 172 119.321 0.319 -8.953 1.00 0.00 H new ATOM 0 HB VAL A 172 120.666 2.514 -10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 172 118.350 3.350 -10.958 1.00 0.00 H new ATOM 0 HG12 VAL A 172 118.534 1.698 -11.595 1.00 0.00 H new ATOM 0 HG13 VAL A 172 117.721 1.965 -10.035 1.00 0.00 H new ATOM 0 HG21 VAL A 172 119.662 4.083 -8.976 1.00 0.00 H new ATOM 0 HG22 VAL A 172 119.041 2.700 -8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 172 120.796 2.961 -8.186 1.00 0.00 H new ATOM 2214 N GLU A 173 121.338 -0.364 -11.397 1.00 0.00 N ATOM 2215 CA GLU A 173 121.470 -1.197 -12.636 1.00 0.00 C ATOM 2216 C GLU A 173 120.843 -2.579 -12.450 1.00 0.00 C ATOM 2217 O GLU A 173 120.235 -3.115 -13.358 1.00 0.00 O ATOM 2218 CB GLU A 173 122.972 -1.342 -12.858 1.00 0.00 C ATOM 2219 CG GLU A 173 123.238 -1.838 -14.281 1.00 0.00 C ATOM 2220 CD GLU A 173 122.906 -0.729 -15.281 1.00 0.00 C ATOM 2221 OE1 GLU A 173 123.120 0.426 -14.948 1.00 0.00 O ATOM 2222 OE2 GLU A 173 122.444 -1.052 -16.363 1.00 0.00 O ATOM 0 H GLU A 173 122.215 0.015 -11.040 1.00 0.00 H new ATOM 0 HA GLU A 173 120.959 -0.732 -13.479 1.00 0.00 H new ATOM 0 HB2 GLU A 173 123.467 -0.384 -12.698 1.00 0.00 H new ATOM 0 HB3 GLU A 173 123.390 -2.042 -12.135 1.00 0.00 H new ATOM 0 HG2 GLU A 173 124.282 -2.134 -14.385 1.00 0.00 H new ATOM 0 HG3 GLU A 173 122.634 -2.721 -14.488 1.00 0.00 H new ATOM 2229 N SER A 174 121.000 -3.168 -11.290 1.00 0.00 N ATOM 2230 CA SER A 174 120.425 -4.526 -11.066 1.00 0.00 C ATOM 2231 C SER A 174 118.898 -4.498 -11.210 1.00 0.00 C ATOM 2232 O SER A 174 118.278 -5.503 -11.500 1.00 0.00 O ATOM 2233 CB SER A 174 120.823 -4.906 -9.641 1.00 0.00 C ATOM 2234 OG SER A 174 120.108 -4.092 -8.721 1.00 0.00 O ATOM 0 H SER A 174 121.498 -2.769 -10.495 1.00 0.00 H new ATOM 0 HA SER A 174 120.795 -5.246 -11.796 1.00 0.00 H new ATOM 0 HB2 SER A 174 120.605 -5.958 -9.459 1.00 0.00 H new ATOM 0 HB3 SER A 174 121.896 -4.774 -9.503 1.00 0.00 H new ATOM 0 HG SER A 174 120.543 -3.217 -8.652 1.00 0.00 H new ATOM 2240 N MET A 175 118.290 -3.356 -11.003 1.00 0.00 N ATOM 2241 CA MET A 175 116.800 -3.260 -11.118 1.00 0.00 C ATOM 2242 C MET A 175 116.354 -3.398 -12.579 1.00 0.00 C ATOM 2243 O MET A 175 115.259 -3.847 -12.859 1.00 0.00 O ATOM 2244 CB MET A 175 116.445 -1.870 -10.585 1.00 0.00 C ATOM 2245 CG MET A 175 116.852 -1.770 -9.114 1.00 0.00 C ATOM 2246 SD MET A 175 116.457 -0.118 -8.492 1.00 0.00 S ATOM 2247 CE MET A 175 117.312 -0.264 -6.904 1.00 0.00 C ATOM 0 H MET A 175 118.761 -2.485 -10.759 1.00 0.00 H new ATOM 0 HA MET A 175 116.302 -4.055 -10.562 1.00 0.00 H new ATOM 0 HB2 MET A 175 116.956 -1.104 -11.168 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.375 -1.690 -10.691 1.00 0.00 H new ATOM 0 HG2 MET A 175 116.329 -2.526 -8.528 1.00 0.00 H new ATOM 0 HG3 MET A 175 117.919 -1.966 -9.006 1.00 0.00 H new ATOM 0 HE1 MET A 175 116.641 0.040 -6.100 1.00 0.00 H new ATOM 0 HE2 MET A 175 117.618 -1.299 -6.749 1.00 0.00 H new ATOM 0 HE3 MET A 175 118.193 0.378 -6.904 1.00 0.00 H new ATOM 2257 N GLU A 176 117.189 -3.005 -13.509 1.00 0.00 N ATOM 2258 CA GLU A 176 116.807 -3.103 -14.955 1.00 0.00 C ATOM 2259 C GLU A 176 116.500 -4.555 -15.334 1.00 0.00 C ATOM 2260 O GLU A 176 115.471 -4.848 -15.912 1.00 0.00 O ATOM 2261 CB GLU A 176 118.028 -2.593 -15.732 1.00 0.00 C ATOM 2262 CG GLU A 176 117.767 -1.171 -16.234 1.00 0.00 C ATOM 2263 CD GLU A 176 118.856 -0.772 -17.231 1.00 0.00 C ATOM 2264 OE1 GLU A 176 120.019 -0.942 -16.905 1.00 0.00 O ATOM 2265 OE2 GLU A 176 118.510 -0.304 -18.303 1.00 0.00 O ATOM 0 H GLU A 176 118.117 -2.621 -13.332 1.00 0.00 H new ATOM 0 HA GLU A 176 115.911 -2.523 -15.177 1.00 0.00 H new ATOM 0 HB2 GLU A 176 118.910 -2.606 -15.091 1.00 0.00 H new ATOM 0 HB3 GLU A 176 118.236 -3.253 -16.574 1.00 0.00 H new ATOM 0 HG2 GLU A 176 116.787 -1.116 -16.709 1.00 0.00 H new ATOM 0 HG3 GLU A 176 117.755 -0.475 -15.395 1.00 0.00 H new ATOM 2272 N THR A 177 117.387 -5.462 -15.016 1.00 0.00 N ATOM 2273 CA THR A 177 117.152 -6.898 -15.360 1.00 0.00 C ATOM 2274 C THR A 177 116.058 -7.488 -14.464 1.00 0.00 C ATOM 2275 O THR A 177 115.351 -8.398 -14.853 1.00 0.00 O ATOM 2276 CB THR A 177 118.489 -7.599 -15.107 1.00 0.00 C ATOM 2277 OG1 THR A 177 119.527 -6.880 -15.758 1.00 0.00 O ATOM 2278 CG2 THR A 177 118.430 -9.025 -15.658 1.00 0.00 C ATOM 0 H THR A 177 118.265 -5.271 -14.533 1.00 0.00 H new ATOM 0 HA THR A 177 116.819 -7.021 -16.391 1.00 0.00 H new ATOM 0 HB THR A 177 118.687 -7.634 -14.036 1.00 0.00 H new ATOM 0 HG1 THR A 177 120.385 -7.326 -15.596 1.00 0.00 H new ATOM 0 HG21 THR A 177 119.382 -9.524 -15.478 1.00 0.00 H new ATOM 0 HG22 THR A 177 117.632 -9.575 -15.159 1.00 0.00 H new ATOM 0 HG23 THR A 177 118.234 -8.993 -16.730 1.00 0.00 H new ATOM 2286 N THR A 178 115.921 -6.978 -13.267 1.00 0.00 N ATOM 2287 CA THR A 178 114.877 -7.508 -12.335 1.00 0.00 C ATOM 2288 C THR A 178 113.475 -7.169 -12.851 1.00 0.00 C ATOM 2289 O THR A 178 112.536 -7.915 -12.646 1.00 0.00 O ATOM 2290 CB THR A 178 115.138 -6.812 -10.997 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.496 -7.001 -10.624 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.226 -7.406 -9.925 1.00 0.00 C ATOM 0 H THR A 178 116.487 -6.216 -12.893 1.00 0.00 H new ATOM 0 HA THR A 178 114.927 -8.593 -12.245 1.00 0.00 H new ATOM 0 HB THR A 178 114.933 -5.746 -11.095 1.00 0.00 H new ATOM 0 HG1 THR A 178 116.976 -6.149 -10.694 1.00 0.00 H new ATOM 0 HG21 THR A 178 114.413 -6.910 -8.973 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.185 -7.261 -10.212 1.00 0.00 H new ATOM 0 HG23 THR A 178 114.429 -8.472 -9.824 1.00 0.00 H new ATOM 2300 N MET A 179 113.327 -6.049 -13.515 1.00 0.00 N ATOM 2301 CA MET A 179 111.982 -5.658 -14.043 1.00 0.00 C ATOM 2302 C MET A 179 111.456 -6.722 -15.010 1.00 0.00 C ATOM 2303 O MET A 179 110.349 -7.208 -14.866 1.00 0.00 O ATOM 2304 CB MET A 179 112.207 -4.334 -14.779 1.00 0.00 C ATOM 2305 CG MET A 179 112.267 -3.189 -13.766 1.00 0.00 C ATOM 2306 SD MET A 179 110.587 -2.640 -13.377 1.00 0.00 S ATOM 2307 CE MET A 179 110.416 -1.458 -14.736 1.00 0.00 C ATOM 0 H MET A 179 114.079 -5.389 -13.714 1.00 0.00 H new ATOM 0 HA MET A 179 111.245 -5.562 -13.246 1.00 0.00 H new ATOM 0 HB2 MET A 179 113.134 -4.377 -15.350 1.00 0.00 H new ATOM 0 HB3 MET A 179 111.401 -4.161 -15.492 1.00 0.00 H new ATOM 0 HG2 MET A 179 112.773 -3.518 -12.858 1.00 0.00 H new ATOM 0 HG3 MET A 179 112.847 -2.360 -14.172 1.00 0.00 H new ATOM 0 HE1 MET A 179 109.432 -0.990 -14.690 1.00 0.00 H new ATOM 0 HE2 MET A 179 111.187 -0.692 -14.651 1.00 0.00 H new ATOM 0 HE3 MET A 179 110.526 -1.979 -15.687 1.00 0.00 H new ATOM 2317 N ARG A 180 112.243 -7.090 -15.989 1.00 0.00 N ATOM 2318 CA ARG A 180 111.791 -8.129 -16.966 1.00 0.00 C ATOM 2319 C ARG A 180 111.582 -9.466 -16.253 1.00 0.00 C ATOM 2320 O ARG A 180 110.643 -10.187 -16.531 1.00 0.00 O ATOM 2321 CB ARG A 180 112.916 -8.238 -17.996 1.00 0.00 C ATOM 2322 CG ARG A 180 112.981 -6.950 -18.819 1.00 0.00 C ATOM 2323 CD ARG A 180 113.906 -7.156 -20.020 1.00 0.00 C ATOM 2324 NE ARG A 180 113.225 -8.183 -20.855 1.00 0.00 N ATOM 2325 CZ ARG A 180 112.608 -7.832 -21.949 1.00 0.00 C ATOM 2326 NH1 ARG A 180 111.546 -7.073 -21.886 1.00 0.00 N ATOM 2327 NH2 ARG A 180 113.051 -8.239 -23.106 1.00 0.00 N ATOM 0 H ARG A 180 113.178 -6.717 -16.155 1.00 0.00 H new ATOM 0 HA ARG A 180 110.843 -7.865 -17.435 1.00 0.00 H new ATOM 0 HB2 ARG A 180 113.868 -8.410 -17.494 1.00 0.00 H new ATOM 0 HB3 ARG A 180 112.743 -9.092 -18.651 1.00 0.00 H new ATOM 0 HG2 ARG A 180 111.983 -6.673 -19.159 1.00 0.00 H new ATOM 0 HG3 ARG A 180 113.347 -6.130 -18.201 1.00 0.00 H new ATOM 0 HD2 ARG A 180 114.048 -6.228 -20.573 1.00 0.00 H new ATOM 0 HD3 ARG A 180 114.893 -7.494 -19.705 1.00 0.00 H new ATOM 0 HE ARG A 180 113.241 -9.163 -20.571 1.00 0.00 H new ATOM 0 HH11 ARG A 180 111.199 -6.755 -20.981 1.00 0.00 H new ATOM 0 HH12 ARG A 180 111.064 -6.799 -22.742 1.00 0.00 H new ATOM 0 HH21 ARG A 180 113.880 -8.832 -23.155 1.00 0.00 H new ATOM 0 HH22 ARG A 180 112.569 -7.965 -23.962 1.00 0.00 H new ATOM 2341 N ALA A 181 112.454 -9.800 -15.337 1.00 0.00 N ATOM 2342 CA ALA A 181 112.317 -11.093 -14.599 1.00 0.00 C ATOM 2343 C ALA A 181 111.086 -11.056 -13.688 1.00 0.00 C ATOM 2344 O ALA A 181 110.786 -10.051 -13.074 1.00 0.00 O ATOM 2345 CB ALA A 181 113.594 -11.220 -13.767 1.00 0.00 C ATOM 0 H ALA A 181 113.257 -9.232 -15.067 1.00 0.00 H new ATOM 0 HA ALA A 181 112.188 -11.938 -15.275 1.00 0.00 H new ATOM 0 HB1 ALA A 181 113.566 -12.148 -13.196 1.00 0.00 H new ATOM 0 HB2 ALA A 181 114.460 -11.227 -14.429 1.00 0.00 H new ATOM 0 HB3 ALA A 181 113.668 -10.375 -13.082 1.00 0.00 H new