USER MOD reduce.3.24.130724 H: found=0, std=0, add=1020, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 CYS SG : rot 89:sc= 1.97 USER MOD Set 1.2: A 99 CYS SG : rot -51:sc= 0.21 USER MOD Set 1.3: A 145 CYS SG : rot -58:sc= -0.0995 USER MOD Set 1.4: A 147 SER OG : rot 160:sc= 0.31 USER MOD Set 1.5: A 149 HIS : no HD1:sc= -2.11 K(o=0.28,f=1.7) USER MOD Set 2.1: A 80 GLN : amide:sc= 0.746 K(o=1.5,f=1) USER MOD Set 2.2: A 178 THR OG1 : rot -142:sc= 0.795 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 77:sc= -0.294 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.41) USER MOD Single : A 42 SER OG : rot 42:sc= 0.598 USER MOD Single : A 46 THR OG1 : rot 120:sc= -0.032 USER MOD Single : A 47 CYS SG : rot -111:sc= 0.115 USER MOD Single : A 49 ASN : amide:sc= -0.864 K(o=-0.86,f=-2.3!) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 139:sc= -0.413 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0171 USER MOD Single : A 57 HIS : no HE2:sc= -5.49! C(o=-5.5!,f=-10!) USER MOD Single : A 72 THR OG1 : rot 30:sc= 0.369 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 74 MET CE :methyl 158:sc= 0 (180deg=-0.375) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.989 USER MOD Single : A 76 THR OG1 : rot 43:sc= 0.27 USER MOD Single : A 77 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.2) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 90:sc= -0.964 USER MOD Single : A 98 THR OG1 : rot -52:sc= 0.506 USER MOD Single : A 101 SER OG : rot 120:sc= -1.8 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 105 TYR OH : rot 120:sc= 0.237 USER MOD Single : A 108 THR OG1 : rot 89:sc= 0.759 USER MOD Single : A 110 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.0018) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.279 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 138 SER OG : rot 105:sc= 0.14 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 159 CYS SG : rot 24:sc= -1.9 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 -66:sc= 1.21 USER MOD Single : A 175 MET CE :methyl 138:sc= -1.06 (180deg=-4.15!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 MET CE :methyl 132:sc= -0.211 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 149 N GLU A 32 110.214 10.599 -0.726 1.00 0.00 N ATOM 150 CA GLU A 32 111.055 9.631 -1.498 1.00 0.00 C ATOM 151 C GLU A 32 111.248 8.336 -0.699 1.00 0.00 C ATOM 152 O GLU A 32 111.387 7.265 -1.261 1.00 0.00 O ATOM 153 CB GLU A 32 112.397 10.342 -1.722 1.00 0.00 C ATOM 154 CG GLU A 32 113.041 10.699 -0.376 1.00 0.00 C ATOM 155 CD GLU A 32 114.449 11.258 -0.608 1.00 0.00 C ATOM 156 OE1 GLU A 32 115.068 10.874 -1.587 1.00 0.00 O ATOM 157 OE2 GLU A 32 114.884 12.062 0.200 1.00 0.00 O ATOM 0 HA GLU A 32 110.590 9.349 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 32 113.066 9.699 -2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 32 112.243 11.246 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 32 112.429 11.434 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 32 113.091 9.815 0.260 1.00 0.00 H new ATOM 164 N VAL A 33 111.252 8.430 0.607 1.00 0.00 N ATOM 165 CA VAL A 33 111.431 7.213 1.454 1.00 0.00 C ATOM 166 C VAL A 33 110.189 6.993 2.327 1.00 0.00 C ATOM 167 O VAL A 33 109.721 7.897 2.992 1.00 0.00 O ATOM 168 CB VAL A 33 112.662 7.507 2.322 1.00 0.00 C ATOM 169 CG1 VAL A 33 112.935 6.320 3.253 1.00 0.00 C ATOM 170 CG2 VAL A 33 113.886 7.740 1.421 1.00 0.00 C ATOM 0 H VAL A 33 111.138 9.302 1.124 1.00 0.00 H new ATOM 0 HA VAL A 33 111.564 6.309 0.860 1.00 0.00 H new ATOM 0 HB VAL A 33 112.473 8.400 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 33 113.810 6.533 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 33 112.071 6.156 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 33 113.119 5.426 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 33 114.759 7.949 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 33 114.071 6.849 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 33 113.697 8.588 0.763 1.00 0.00 H new ATOM 180 N GLN A 34 109.658 5.798 2.322 1.00 0.00 N ATOM 181 CA GLN A 34 108.446 5.505 3.144 1.00 0.00 C ATOM 182 C GLN A 34 108.829 4.694 4.385 1.00 0.00 C ATOM 183 O GLN A 34 109.662 3.810 4.326 1.00 0.00 O ATOM 184 CB GLN A 34 107.540 4.683 2.227 1.00 0.00 C ATOM 185 CG GLN A 34 106.993 5.576 1.112 1.00 0.00 C ATOM 186 CD GLN A 34 106.121 4.741 0.171 1.00 0.00 C ATOM 187 OE1 GLN A 34 106.491 3.647 -0.207 1.00 0.00 O ATOM 188 NE2 GLN A 34 104.971 5.214 -0.225 1.00 0.00 N ATOM 0 H GLN A 34 110.013 5.009 1.782 1.00 0.00 H new ATOM 0 HA GLN A 34 107.957 6.413 3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 34 108.098 3.850 1.799 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.718 4.255 2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 34 106.409 6.392 1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 34 107.815 6.028 0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 34 104.661 6.132 0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 34 104.382 4.665 -0.852 1.00 0.00 H new ATOM 197 N VAL A 35 108.224 4.991 5.509 1.00 0.00 N ATOM 198 CA VAL A 35 108.546 4.240 6.760 1.00 0.00 C ATOM 199 C VAL A 35 107.631 3.014 6.895 1.00 0.00 C ATOM 200 O VAL A 35 106.422 3.135 6.959 1.00 0.00 O ATOM 201 CB VAL A 35 108.305 5.238 7.902 1.00 0.00 C ATOM 202 CG1 VAL A 35 106.834 5.686 7.925 1.00 0.00 C ATOM 203 CG2 VAL A 35 108.661 4.574 9.237 1.00 0.00 C ATOM 0 H VAL A 35 107.520 5.722 5.613 1.00 0.00 H new ATOM 0 HA VAL A 35 109.570 3.866 6.766 1.00 0.00 H new ATOM 0 HB VAL A 35 108.933 6.115 7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 35 106.682 6.393 8.741 1.00 0.00 H new ATOM 0 HG12 VAL A 35 106.585 6.165 6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 35 106.192 4.818 8.073 1.00 0.00 H new ATOM 0 HG21 VAL A 35 108.491 5.279 10.051 1.00 0.00 H new ATOM 0 HG22 VAL A 35 108.036 3.693 9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 35 109.710 4.277 9.227 1.00 0.00 H new ATOM 213 N VAL A 36 108.202 1.836 6.936 1.00 0.00 N ATOM 214 CA VAL A 36 107.373 0.598 7.062 1.00 0.00 C ATOM 215 C VAL A 36 107.822 -0.215 8.282 1.00 0.00 C ATOM 216 O VAL A 36 108.995 -0.483 8.461 1.00 0.00 O ATOM 217 CB VAL A 36 107.620 -0.184 5.767 1.00 0.00 C ATOM 218 CG1 VAL A 36 106.812 -1.486 5.786 1.00 0.00 C ATOM 219 CG2 VAL A 36 107.186 0.661 4.566 1.00 0.00 C ATOM 0 H VAL A 36 109.209 1.678 6.888 1.00 0.00 H new ATOM 0 HA VAL A 36 106.315 0.821 7.202 1.00 0.00 H new ATOM 0 HB VAL A 36 108.682 -0.416 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 36 106.991 -2.039 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 36 107.120 -2.093 6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 36 105.750 -1.254 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 36 107.362 0.103 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 36 106.125 0.895 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 36 107.761 1.586 4.545 1.00 0.00 H new ATOM 229 N SER A 37 106.895 -0.605 9.121 1.00 0.00 N ATOM 230 CA SER A 37 107.258 -1.400 10.333 1.00 0.00 C ATOM 231 C SER A 37 106.564 -2.765 10.302 1.00 0.00 C ATOM 232 O SER A 37 105.391 -2.866 9.995 1.00 0.00 O ATOM 233 CB SER A 37 106.756 -0.571 11.514 1.00 0.00 C ATOM 234 OG SER A 37 107.549 0.601 11.637 1.00 0.00 O ATOM 0 H SER A 37 105.900 -0.406 9.018 1.00 0.00 H new ATOM 0 HA SER A 37 108.329 -1.592 10.394 1.00 0.00 H new ATOM 0 HB2 SER A 37 105.710 -0.302 11.366 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.808 -1.157 12.432 1.00 0.00 H new ATOM 0 HG SER A 37 107.228 1.135 12.393 1.00 0.00 H new ATOM 240 N THR A 38 107.281 -3.815 10.619 1.00 0.00 N ATOM 241 CA THR A 38 106.669 -5.180 10.612 1.00 0.00 C ATOM 242 C THR A 38 106.384 -5.630 12.046 1.00 0.00 C ATOM 243 O THR A 38 106.674 -4.924 12.994 1.00 0.00 O ATOM 244 CB THR A 38 107.703 -6.107 9.958 1.00 0.00 C ATOM 245 OG1 THR A 38 108.510 -5.372 9.044 1.00 0.00 O ATOM 246 CG2 THR A 38 106.981 -7.226 9.207 1.00 0.00 C ATOM 0 H THR A 38 108.266 -3.785 10.883 1.00 0.00 H new ATOM 0 HA THR A 38 105.724 -5.195 10.068 1.00 0.00 H new ATOM 0 HB THR A 38 108.339 -6.533 10.734 1.00 0.00 H new ATOM 0 HG1 THR A 38 109.175 -4.851 9.541 1.00 0.00 H new ATOM 0 HG21 THR A 38 107.715 -7.885 8.742 1.00 0.00 H new ATOM 0 HG22 THR A 38 106.371 -7.798 9.906 1.00 0.00 H new ATOM 0 HG23 THR A 38 106.342 -6.794 8.437 1.00 0.00 H new ATOM 254 N ALA A 39 105.814 -6.796 12.207 1.00 0.00 N ATOM 255 CA ALA A 39 105.500 -7.297 13.581 1.00 0.00 C ATOM 256 C ALA A 39 106.779 -7.416 14.417 1.00 0.00 C ATOM 257 O ALA A 39 106.845 -6.934 15.532 1.00 0.00 O ATOM 258 CB ALA A 39 104.868 -8.675 13.372 1.00 0.00 C ATOM 0 H ALA A 39 105.552 -7.424 11.447 1.00 0.00 H new ATOM 0 HA ALA A 39 104.835 -6.620 14.118 1.00 0.00 H new ATOM 0 HB1 ALA A 39 104.610 -9.107 14.339 1.00 0.00 H new ATOM 0 HB2 ALA A 39 103.967 -8.574 12.767 1.00 0.00 H new ATOM 0 HB3 ALA A 39 105.577 -9.327 12.861 1.00 0.00 H new ATOM 264 N THR A 40 107.789 -8.058 13.887 1.00 0.00 N ATOM 265 CA THR A 40 109.066 -8.216 14.652 1.00 0.00 C ATOM 266 C THR A 40 110.231 -7.527 13.928 1.00 0.00 C ATOM 267 O THR A 40 111.247 -7.229 14.528 1.00 0.00 O ATOM 268 CB THR A 40 109.301 -9.726 14.719 1.00 0.00 C ATOM 269 OG1 THR A 40 109.366 -10.253 13.401 1.00 0.00 O ATOM 270 CG2 THR A 40 108.152 -10.391 15.480 1.00 0.00 C ATOM 0 H THR A 40 107.786 -8.480 12.958 1.00 0.00 H new ATOM 0 HA THR A 40 109.003 -7.761 15.640 1.00 0.00 H new ATOM 0 HB THR A 40 110.239 -9.925 15.237 1.00 0.00 H new ATOM 0 HG1 THR A 40 109.518 -11.220 13.443 1.00 0.00 H new ATOM 0 HG21 THR A 40 108.321 -11.467 15.527 1.00 0.00 H new ATOM 0 HG22 THR A 40 108.103 -9.987 16.491 1.00 0.00 H new ATOM 0 HG23 THR A 40 107.212 -10.194 14.965 1.00 0.00 H new ATOM 278 N GLN A 41 110.097 -7.276 12.648 1.00 0.00 N ATOM 279 CA GLN A 41 111.202 -6.612 11.892 1.00 0.00 C ATOM 280 C GLN A 41 110.758 -5.231 11.401 1.00 0.00 C ATOM 281 O GLN A 41 109.600 -4.873 11.495 1.00 0.00 O ATOM 282 CB GLN A 41 111.480 -7.535 10.705 1.00 0.00 C ATOM 283 CG GLN A 41 112.064 -8.858 11.209 1.00 0.00 C ATOM 284 CD GLN A 41 113.435 -8.606 11.840 1.00 0.00 C ATOM 285 OE1 GLN A 41 114.266 -7.932 11.266 1.00 0.00 O ATOM 286 NE2 GLN A 41 113.707 -9.123 13.007 1.00 0.00 N ATOM 0 H GLN A 41 109.270 -7.503 12.095 1.00 0.00 H new ATOM 0 HA GLN A 41 112.087 -6.459 12.509 1.00 0.00 H new ATOM 0 HB2 GLN A 41 110.559 -7.720 10.151 1.00 0.00 H new ATOM 0 HB3 GLN A 41 112.176 -7.058 10.015 1.00 0.00 H new ATOM 0 HG2 GLN A 41 111.393 -9.308 11.940 1.00 0.00 H new ATOM 0 HG3 GLN A 41 112.156 -9.564 10.384 1.00 0.00 H new ATOM 0 HE21 GLN A 41 113.009 -9.689 13.489 1.00 0.00 H new ATOM 0 HE22 GLN A 41 114.618 -8.961 13.437 1.00 0.00 H new ATOM 295 N SER A 42 111.675 -4.458 10.879 1.00 0.00 N ATOM 296 CA SER A 42 111.315 -3.099 10.375 1.00 0.00 C ATOM 297 C SER A 42 112.235 -2.709 9.216 1.00 0.00 C ATOM 298 O SER A 42 113.443 -2.657 9.360 1.00 0.00 O ATOM 299 CB SER A 42 111.523 -2.165 11.565 1.00 0.00 C ATOM 300 OG SER A 42 112.869 -2.265 12.012 1.00 0.00 O ATOM 0 H SER A 42 112.659 -4.710 10.780 1.00 0.00 H new ATOM 0 HA SER A 42 110.293 -3.054 10.000 1.00 0.00 H new ATOM 0 HB2 SER A 42 111.298 -1.137 11.279 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.839 -2.428 12.372 1.00 0.00 H new ATOM 0 HG SER A 42 113.469 -2.301 11.238 1.00 0.00 H new ATOM 306 N PHE A 43 111.670 -2.432 8.070 1.00 0.00 N ATOM 307 CA PHE A 43 112.499 -2.042 6.889 1.00 0.00 C ATOM 308 C PHE A 43 111.881 -0.826 6.193 1.00 0.00 C ATOM 309 O PHE A 43 110.781 -0.414 6.512 1.00 0.00 O ATOM 310 CB PHE A 43 112.489 -3.263 5.960 1.00 0.00 C ATOM 311 CG PHE A 43 111.066 -3.634 5.606 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.318 -4.439 6.472 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.496 -3.169 4.415 1.00 0.00 C ATOM 314 CE1 PHE A 43 109.003 -4.781 6.149 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.178 -3.511 4.091 1.00 0.00 C ATOM 316 CZ PHE A 43 108.431 -4.317 4.958 1.00 0.00 C ATOM 0 H PHE A 43 110.665 -2.459 7.900 1.00 0.00 H new ATOM 0 HA PHE A 43 113.514 -1.766 7.173 1.00 0.00 H new ATOM 0 HB2 PHE A 43 113.053 -3.044 5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 43 112.982 -4.104 6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 43 110.758 -4.796 7.391 1.00 0.00 H new ATOM 0 HD2 PHE A 43 111.073 -2.547 3.747 1.00 0.00 H new ATOM 0 HE1 PHE A 43 108.427 -5.403 6.818 1.00 0.00 H new ATOM 0 HE2 PHE A 43 108.737 -3.153 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 43 107.414 -4.581 4.708 1.00 0.00 H new ATOM 326 N LEU A 44 112.581 -0.250 5.250 1.00 0.00 N ATOM 327 CA LEU A 44 112.041 0.943 4.533 1.00 0.00 C ATOM 328 C LEU A 44 111.901 0.652 3.036 1.00 0.00 C ATOM 329 O LEU A 44 112.540 -0.235 2.503 1.00 0.00 O ATOM 330 CB LEU A 44 113.067 2.052 4.779 1.00 0.00 C ATOM 331 CG LEU A 44 113.170 2.345 6.280 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.206 3.442 6.517 1.00 0.00 C ATOM 333 CD2 LEU A 44 111.814 2.824 6.806 1.00 0.00 C ATOM 0 H LEU A 44 113.505 -0.555 4.945 1.00 0.00 H new ATOM 0 HA LEU A 44 111.049 1.222 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 44 114.040 1.751 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.775 2.955 4.243 1.00 0.00 H new ATOM 0 HG LEU A 44 113.467 1.435 6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.278 3.650 7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.176 3.113 6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 44 113.904 4.348 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 44 111.890 3.031 7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.520 3.732 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.065 2.050 6.640 1.00 0.00 H new ATOM 345 N ALA A 45 111.065 1.398 2.359 1.00 0.00 N ATOM 346 CA ALA A 45 110.871 1.178 0.895 1.00 0.00 C ATOM 347 C ALA A 45 111.106 2.483 0.128 1.00 0.00 C ATOM 348 O ALA A 45 110.907 3.563 0.651 1.00 0.00 O ATOM 349 CB ALA A 45 109.416 0.730 0.753 1.00 0.00 C ATOM 0 H ALA A 45 110.507 2.152 2.759 1.00 0.00 H new ATOM 0 HA ALA A 45 111.567 0.442 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.193 0.547 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.260 -0.187 1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 45 108.756 1.510 1.134 1.00 0.00 H new ATOM 355 N THR A 46 111.527 2.386 -1.107 1.00 0.00 N ATOM 356 CA THR A 46 111.778 3.617 -1.917 1.00 0.00 C ATOM 357 C THR A 46 110.992 3.550 -3.229 1.00 0.00 C ATOM 358 O THR A 46 110.832 2.494 -3.813 1.00 0.00 O ATOM 359 CB THR A 46 113.282 3.612 -2.192 1.00 0.00 C ATOM 360 OG1 THR A 46 113.654 2.365 -2.764 1.00 0.00 O ATOM 361 CG2 THR A 46 114.043 3.822 -0.882 1.00 0.00 C ATOM 0 H THR A 46 111.708 1.506 -1.591 1.00 0.00 H new ATOM 0 HA THR A 46 111.463 4.524 -1.401 1.00 0.00 H new ATOM 0 HB THR A 46 113.527 4.417 -2.885 1.00 0.00 H new ATOM 0 HG1 THR A 46 114.044 2.515 -3.650 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.115 3.818 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.758 4.779 -0.445 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.799 3.019 -0.187 1.00 0.00 H new ATOM 369 N CYS A 47 110.498 4.669 -3.694 1.00 0.00 N ATOM 370 CA CYS A 47 109.716 4.677 -4.968 1.00 0.00 C ATOM 371 C CYS A 47 110.626 5.019 -6.152 1.00 0.00 C ATOM 372 O CYS A 47 111.084 6.138 -6.291 1.00 0.00 O ATOM 373 CB CYS A 47 108.655 5.762 -4.776 1.00 0.00 C ATOM 374 SG CYS A 47 107.476 5.701 -6.147 1.00 0.00 S ATOM 0 H CYS A 47 110.602 5.579 -3.246 1.00 0.00 H new ATOM 0 HA CYS A 47 109.272 3.705 -5.183 1.00 0.00 H new ATOM 0 HB2 CYS A 47 108.136 5.615 -3.829 1.00 0.00 H new ATOM 0 HB3 CYS A 47 109.127 6.744 -4.731 1.00 0.00 H new ATOM 0 HG CYS A 47 107.619 6.759 -6.889 1.00 0.00 H new ATOM 380 N VAL A 48 110.888 4.060 -7.004 1.00 0.00 N ATOM 381 CA VAL A 48 111.767 4.318 -8.185 1.00 0.00 C ATOM 382 C VAL A 48 111.022 3.977 -9.483 1.00 0.00 C ATOM 383 O VAL A 48 110.506 2.889 -9.646 1.00 0.00 O ATOM 384 CB VAL A 48 112.975 3.391 -7.995 1.00 0.00 C ATOM 385 CG1 VAL A 48 113.954 3.570 -9.160 1.00 0.00 C ATOM 386 CG2 VAL A 48 113.691 3.737 -6.685 1.00 0.00 C ATOM 0 H VAL A 48 110.530 3.108 -6.932 1.00 0.00 H new ATOM 0 HA VAL A 48 112.067 5.364 -8.257 1.00 0.00 H new ATOM 0 HB VAL A 48 112.627 2.358 -7.963 1.00 0.00 H new ATOM 0 HG11 VAL A 48 114.810 2.910 -9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.454 3.323 -10.097 1.00 0.00 H new ATOM 0 HG13 VAL A 48 114.295 4.605 -9.193 1.00 0.00 H new ATOM 0 HG21 VAL A 48 114.548 3.077 -6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.032 4.772 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.003 3.609 -5.849 1.00 0.00 H new ATOM 396 N ASN A 49 110.975 4.903 -10.411 1.00 0.00 N ATOM 397 CA ASN A 49 110.275 4.657 -11.716 1.00 0.00 C ATOM 398 C ASN A 49 108.836 4.172 -11.492 1.00 0.00 C ATOM 399 O ASN A 49 108.347 3.314 -12.203 1.00 0.00 O ATOM 400 CB ASN A 49 111.100 3.576 -12.423 1.00 0.00 C ATOM 401 CG ASN A 49 112.483 4.132 -12.766 1.00 0.00 C ATOM 402 OD1 ASN A 49 113.488 3.600 -12.337 1.00 0.00 O ATOM 403 ND2 ASN A 49 112.578 5.188 -13.527 1.00 0.00 N ATOM 0 H ASN A 49 111.395 5.828 -10.321 1.00 0.00 H new ATOM 0 HA ASN A 49 110.204 5.571 -12.306 1.00 0.00 H new ATOM 0 HB2 ASN A 49 111.197 2.700 -11.781 1.00 0.00 H new ATOM 0 HB3 ASN A 49 110.592 3.251 -13.331 1.00 0.00 H new ATOM 0 HD21 ASN A 49 113.496 5.567 -13.762 1.00 0.00 H new ATOM 0 HD22 ASN A 49 111.735 5.635 -13.887 1.00 0.00 H new ATOM 410 N GLY A 50 108.158 4.720 -10.518 1.00 0.00 N ATOM 411 CA GLY A 50 106.747 4.303 -10.249 1.00 0.00 C ATOM 412 C GLY A 50 106.708 2.865 -9.716 1.00 0.00 C ATOM 413 O GLY A 50 105.683 2.211 -9.761 1.00 0.00 O ATOM 0 H GLY A 50 108.521 5.441 -9.894 1.00 0.00 H new ATOM 0 HA2 GLY A 50 106.293 4.979 -9.524 1.00 0.00 H new ATOM 0 HA3 GLY A 50 106.159 4.375 -11.164 1.00 0.00 H new ATOM 417 N VAL A 51 107.811 2.369 -9.208 1.00 0.00 N ATOM 418 CA VAL A 51 107.831 0.976 -8.667 1.00 0.00 C ATOM 419 C VAL A 51 108.451 0.977 -7.266 1.00 0.00 C ATOM 420 O VAL A 51 109.520 1.517 -7.056 1.00 0.00 O ATOM 421 CB VAL A 51 108.700 0.177 -9.646 1.00 0.00 C ATOM 422 CG1 VAL A 51 108.795 -1.283 -9.188 1.00 0.00 C ATOM 423 CG2 VAL A 51 108.073 0.226 -11.043 1.00 0.00 C ATOM 0 H VAL A 51 108.697 2.870 -9.145 1.00 0.00 H new ATOM 0 HA VAL A 51 106.833 0.547 -8.578 1.00 0.00 H new ATOM 0 HB VAL A 51 109.698 0.613 -9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 51 109.414 -1.844 -9.888 1.00 0.00 H new ATOM 0 HG12 VAL A 51 109.242 -1.324 -8.195 1.00 0.00 H new ATOM 0 HG13 VAL A 51 107.797 -1.720 -9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 51 108.690 -0.342 -11.739 1.00 0.00 H new ATOM 0 HG22 VAL A 51 107.073 -0.207 -11.008 1.00 0.00 H new ATOM 0 HG23 VAL A 51 108.009 1.262 -11.377 1.00 0.00 H new ATOM 433 N CYS A 52 107.794 0.369 -6.314 1.00 0.00 N ATOM 434 CA CYS A 52 108.346 0.326 -4.928 1.00 0.00 C ATOM 435 C CYS A 52 109.330 -0.839 -4.801 1.00 0.00 C ATOM 436 O CYS A 52 109.048 -1.942 -5.232 1.00 0.00 O ATOM 437 CB CYS A 52 107.135 0.108 -4.021 1.00 0.00 C ATOM 438 SG CYS A 52 106.062 1.565 -4.087 1.00 0.00 S ATOM 0 H CYS A 52 106.897 -0.101 -6.437 1.00 0.00 H new ATOM 0 HA CYS A 52 108.886 1.236 -4.666 1.00 0.00 H new ATOM 0 HB2 CYS A 52 106.584 -0.777 -4.338 1.00 0.00 H new ATOM 0 HB3 CYS A 52 107.462 -0.070 -2.997 1.00 0.00 H new ATOM 0 HG CYS A 52 105.031 1.380 -3.318 1.00 0.00 H new ATOM 444 N TRP A 53 110.481 -0.604 -4.221 1.00 0.00 N ATOM 445 CA TRP A 53 111.479 -1.704 -4.076 1.00 0.00 C ATOM 446 C TRP A 53 111.795 -1.951 -2.600 1.00 0.00 C ATOM 447 O TRP A 53 111.993 -1.028 -1.833 1.00 0.00 O ATOM 448 CB TRP A 53 112.724 -1.200 -4.808 1.00 0.00 C ATOM 449 CG TRP A 53 112.461 -1.163 -6.279 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.062 -0.071 -6.969 1.00 0.00 C ATOM 451 CD2 TRP A 53 112.573 -2.243 -7.252 1.00 0.00 C ATOM 452 NE1 TRP A 53 111.920 -0.409 -8.302 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.225 -1.738 -8.527 1.00 0.00 C ATOM 454 CE3 TRP A 53 112.940 -3.597 -7.153 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.238 -2.547 -9.663 1.00 0.00 C ATOM 456 CZ3 TRP A 53 112.956 -4.414 -8.296 1.00 0.00 C ATOM 457 CH2 TRP A 53 112.606 -3.890 -9.548 1.00 0.00 C ATOM 0 H TRP A 53 110.770 0.298 -3.844 1.00 0.00 H new ATOM 0 HA TRP A 53 111.113 -2.647 -4.482 1.00 0.00 H new ATOM 0 HB2 TRP A 53 112.990 -0.205 -4.451 1.00 0.00 H new ATOM 0 HB3 TRP A 53 113.571 -1.852 -4.596 1.00 0.00 H new ATOM 0 HD1 TRP A 53 111.883 0.907 -6.547 1.00 0.00 H new ATOM 0 HE1 TRP A 53 111.626 0.242 -9.030 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.211 -4.011 -6.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 111.966 -2.138 -10.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 113.240 -5.452 -8.209 1.00 0.00 H new ATOM 0 HH2 TRP A 53 112.621 -4.523 -10.423 1.00 0.00 H new ATOM 468 N THR A 54 111.862 -3.197 -2.208 1.00 0.00 N ATOM 469 CA THR A 54 112.186 -3.531 -0.790 1.00 0.00 C ATOM 470 C THR A 54 113.165 -4.709 -0.747 1.00 0.00 C ATOM 471 O THR A 54 113.492 -5.286 -1.768 1.00 0.00 O ATOM 472 CB THR A 54 110.847 -3.888 -0.131 1.00 0.00 C ATOM 473 OG1 THR A 54 111.068 -4.206 1.237 1.00 0.00 O ATOM 474 CG2 THR A 54 110.207 -5.088 -0.833 1.00 0.00 C ATOM 0 H THR A 54 111.705 -4.002 -2.814 1.00 0.00 H new ATOM 0 HA THR A 54 112.665 -2.704 -0.266 1.00 0.00 H new ATOM 0 HB THR A 54 110.175 -3.034 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 54 110.356 -3.812 1.783 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.258 -5.327 -0.352 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.032 -4.845 -1.881 1.00 0.00 H new ATOM 0 HG23 THR A 54 110.874 -5.947 -0.766 1.00 0.00 H new ATOM 482 N VAL A 55 113.633 -5.069 0.420 1.00 0.00 N ATOM 483 CA VAL A 55 114.592 -6.211 0.527 1.00 0.00 C ATOM 484 C VAL A 55 113.827 -7.544 0.500 1.00 0.00 C ATOM 485 O VAL A 55 112.743 -7.662 1.039 1.00 0.00 O ATOM 486 CB VAL A 55 115.307 -5.996 1.866 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.244 -7.179 2.165 1.00 0.00 C ATOM 488 CG2 VAL A 55 116.124 -4.703 1.791 1.00 0.00 C ATOM 0 H VAL A 55 113.393 -4.622 1.305 1.00 0.00 H new ATOM 0 HA VAL A 55 115.301 -6.250 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 55 114.567 -5.925 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 55 116.746 -7.014 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 55 115.663 -8.100 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 55 116.988 -7.263 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.637 -4.541 2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 55 116.859 -4.783 0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 55 115.459 -3.863 1.590 1.00 0.00 H new ATOM 498 N TYR A 56 114.387 -8.539 -0.143 1.00 0.00 N ATOM 499 CA TYR A 56 113.704 -9.869 -0.236 1.00 0.00 C ATOM 500 C TYR A 56 113.817 -10.659 1.077 1.00 0.00 C ATOM 501 O TYR A 56 112.865 -11.283 1.508 1.00 0.00 O ATOM 502 CB TYR A 56 114.446 -10.604 -1.358 1.00 0.00 C ATOM 503 CG TYR A 56 113.876 -11.993 -1.546 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.960 -12.242 -2.570 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.267 -13.026 -0.689 1.00 0.00 C ATOM 506 CE1 TYR A 56 112.433 -13.528 -2.739 1.00 0.00 C ATOM 507 CE2 TYR A 56 113.743 -14.311 -0.857 1.00 0.00 C ATOM 508 CZ TYR A 56 112.825 -14.564 -1.883 1.00 0.00 C ATOM 509 OH TYR A 56 112.305 -15.831 -2.048 1.00 0.00 O ATOM 0 H TYR A 56 115.292 -8.488 -0.610 1.00 0.00 H new ATOM 0 HA TYR A 56 112.637 -9.758 -0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 56 114.362 -10.041 -2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.507 -10.669 -1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 56 112.658 -11.443 -3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 56 114.974 -12.831 0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.724 -13.721 -3.530 1.00 0.00 H new ATOM 0 HE2 TYR A 56 114.046 -15.109 -0.195 1.00 0.00 H new ATOM 0 HH TYR A 56 112.683 -16.430 -1.371 1.00 0.00 H new ATOM 519 N HIS A 57 114.972 -10.664 1.697 1.00 0.00 N ATOM 520 CA HIS A 57 115.130 -11.450 2.960 1.00 0.00 C ATOM 521 C HIS A 57 114.339 -10.810 4.113 1.00 0.00 C ATOM 522 O HIS A 57 114.112 -11.433 5.134 1.00 0.00 O ATOM 523 CB HIS A 57 116.648 -11.490 3.237 1.00 0.00 C ATOM 524 CG HIS A 57 117.168 -10.160 3.734 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.187 -9.465 3.072 1.00 0.00 N ATOM 526 CD2 HIS A 57 116.856 -9.405 4.843 1.00 0.00 C ATOM 527 CE1 HIS A 57 118.450 -8.350 3.784 1.00 0.00 C ATOM 528 NE2 HIS A 57 117.666 -8.288 4.850 1.00 0.00 N ATOM 0 H HIS A 57 115.805 -10.163 1.387 1.00 0.00 H new ATOM 0 HA HIS A 57 114.729 -12.459 2.866 1.00 0.00 H new ATOM 0 HB2 HIS A 57 116.861 -12.262 3.976 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.176 -11.768 2.325 1.00 0.00 H new ATOM 0 HD1 HIS A 57 118.647 -9.750 2.208 1.00 0.00 H new ATOM 0 HD2 HIS A 57 116.105 -9.646 5.581 1.00 0.00 H new ATOM 0 HE1 HIS A 57 119.194 -7.612 3.522 1.00 0.00 H new ATOM 536 N GLY A 58 113.917 -9.576 3.959 1.00 0.00 N ATOM 537 CA GLY A 58 113.142 -8.907 5.043 1.00 0.00 C ATOM 538 C GLY A 58 111.663 -8.847 4.654 1.00 0.00 C ATOM 539 O GLY A 58 110.856 -9.623 5.129 1.00 0.00 O ATOM 0 H GLY A 58 114.078 -9.007 3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 58 113.261 -9.453 5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 58 113.526 -7.901 5.210 1.00 0.00 H new ATOM 543 N ALA A 59 111.304 -7.928 3.793 1.00 0.00 N ATOM 544 CA ALA A 59 109.874 -7.807 3.367 1.00 0.00 C ATOM 545 C ALA A 59 109.475 -8.983 2.469 1.00 0.00 C ATOM 546 O ALA A 59 108.382 -9.508 2.572 1.00 0.00 O ATOM 547 CB ALA A 59 109.797 -6.491 2.591 1.00 0.00 C ATOM 0 H ALA A 59 111.940 -7.255 3.365 1.00 0.00 H new ATOM 0 HA ALA A 59 109.195 -7.820 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 59 108.776 -6.332 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 59 110.092 -5.667 3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 59 110.468 -6.535 1.733 1.00 0.00 H new ATOM 553 N GLY A 60 110.351 -9.394 1.587 1.00 0.00 N ATOM 554 CA GLY A 60 110.030 -10.530 0.672 1.00 0.00 C ATOM 555 C GLY A 60 109.752 -11.805 1.477 1.00 0.00 C ATOM 556 O GLY A 60 109.122 -12.724 0.990 1.00 0.00 O ATOM 0 H GLY A 60 111.279 -8.989 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 60 109.161 -10.280 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 60 110.861 -10.699 -0.013 1.00 0.00 H new ATOM 719 N THR A 72 99.795 -8.440 -5.011 1.00 0.00 N ATOM 720 CA THR A 72 100.620 -9.572 -5.534 1.00 0.00 C ATOM 721 C THR A 72 102.055 -9.108 -5.798 1.00 0.00 C ATOM 722 O THR A 72 102.280 -8.071 -6.393 1.00 0.00 O ATOM 723 CB THR A 72 99.945 -9.990 -6.842 1.00 0.00 C ATOM 724 OG1 THR A 72 98.567 -10.236 -6.604 1.00 0.00 O ATOM 725 CG2 THR A 72 100.607 -11.262 -7.377 1.00 0.00 C ATOM 0 HA THR A 72 100.678 -10.397 -4.824 1.00 0.00 H new ATOM 0 HB THR A 72 100.051 -9.192 -7.577 1.00 0.00 H new ATOM 0 HG1 THR A 72 98.257 -9.672 -5.865 1.00 0.00 H new ATOM 0 HG21 THR A 72 100.125 -11.559 -8.309 1.00 0.00 H new ATOM 0 HG22 THR A 72 101.665 -11.072 -7.560 1.00 0.00 H new ATOM 0 HG23 THR A 72 100.503 -12.062 -6.644 1.00 0.00 H new ATOM 733 N GLN A 73 103.024 -9.871 -5.359 1.00 0.00 N ATOM 734 CA GLN A 73 104.451 -9.481 -5.582 1.00 0.00 C ATOM 735 C GLN A 73 104.763 -9.470 -7.081 1.00 0.00 C ATOM 736 O GLN A 73 104.458 -10.408 -7.793 1.00 0.00 O ATOM 737 CB GLN A 73 105.279 -10.554 -4.871 1.00 0.00 C ATOM 738 CG GLN A 73 105.118 -10.405 -3.357 1.00 0.00 C ATOM 739 CD GLN A 73 105.741 -11.614 -2.655 1.00 0.00 C ATOM 740 OE1 GLN A 73 106.663 -12.219 -3.165 1.00 0.00 O ATOM 741 NE2 GLN A 73 105.274 -11.993 -1.498 1.00 0.00 N ATOM 0 H GLN A 73 102.889 -10.748 -4.855 1.00 0.00 H new ATOM 0 HA GLN A 73 104.669 -8.484 -5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 73 104.955 -11.546 -5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 73 106.329 -10.459 -5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 73 105.599 -9.487 -3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 73 104.062 -10.326 -3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 73 104.500 -11.485 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 73 105.683 -12.797 -1.022 1.00 0.00 H new ATOM 750 N MET A 74 105.366 -8.412 -7.562 1.00 0.00 N ATOM 751 CA MET A 74 105.699 -8.329 -9.016 1.00 0.00 C ATOM 752 C MET A 74 107.123 -8.835 -9.269 1.00 0.00 C ATOM 753 O MET A 74 107.400 -9.445 -10.285 1.00 0.00 O ATOM 754 CB MET A 74 105.591 -6.844 -9.362 1.00 0.00 C ATOM 755 CG MET A 74 104.156 -6.363 -9.131 1.00 0.00 C ATOM 756 SD MET A 74 103.067 -7.091 -10.382 1.00 0.00 S ATOM 757 CE MET A 74 101.510 -6.862 -9.489 1.00 0.00 C ATOM 0 H MET A 74 105.642 -7.601 -7.009 1.00 0.00 H new ATOM 0 HA MET A 74 105.034 -8.942 -9.625 1.00 0.00 H new ATOM 0 HB2 MET A 74 106.282 -6.266 -8.748 1.00 0.00 H new ATOM 0 HB3 MET A 74 105.876 -6.681 -10.401 1.00 0.00 H new ATOM 0 HG2 MET A 74 103.822 -6.647 -8.133 1.00 0.00 H new ATOM 0 HG3 MET A 74 104.113 -5.275 -9.184 1.00 0.00 H new ATOM 0 HE1 MET A 74 100.680 -6.871 -10.196 1.00 0.00 H new ATOM 0 HE2 MET A 74 101.382 -7.670 -8.768 1.00 0.00 H new ATOM 0 HE3 MET A 74 101.529 -5.907 -8.964 1.00 0.00 H new ATOM 767 N TYR A 75 108.027 -8.578 -8.357 1.00 0.00 N ATOM 768 CA TYR A 75 109.439 -9.035 -8.544 1.00 0.00 C ATOM 769 C TYR A 75 109.896 -9.865 -7.341 1.00 0.00 C ATOM 770 O TYR A 75 109.681 -9.492 -6.204 1.00 0.00 O ATOM 771 CB TYR A 75 110.261 -7.747 -8.647 1.00 0.00 C ATOM 772 CG TYR A 75 109.792 -6.934 -9.832 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.961 -7.428 -11.131 1.00 0.00 C ATOM 774 CD2 TYR A 75 109.188 -5.688 -9.629 1.00 0.00 C ATOM 775 CE1 TYR A 75 109.524 -6.675 -12.228 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.751 -4.935 -10.726 1.00 0.00 C ATOM 777 CZ TYR A 75 108.920 -5.428 -12.025 1.00 0.00 C ATOM 778 OH TYR A 75 108.489 -4.686 -13.106 1.00 0.00 O ATOM 0 H TYR A 75 107.848 -8.071 -7.490 1.00 0.00 H new ATOM 0 HA TYR A 75 109.553 -9.667 -9.425 1.00 0.00 H new ATOM 0 HB2 TYR A 75 110.158 -7.165 -7.731 1.00 0.00 H new ATOM 0 HB3 TYR A 75 111.319 -7.987 -8.755 1.00 0.00 H new ATOM 0 HD1 TYR A 75 110.428 -8.389 -11.287 1.00 0.00 H new ATOM 0 HD2 TYR A 75 109.059 -5.307 -8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.653 -7.056 -13.230 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.284 -3.974 -10.570 1.00 0.00 H new ATOM 0 HH TYR A 75 108.092 -3.847 -12.790 1.00 0.00 H new ATOM 788 N THR A 76 110.528 -10.987 -7.586 1.00 0.00 N ATOM 789 CA THR A 76 111.007 -11.848 -6.461 1.00 0.00 C ATOM 790 C THR A 76 112.306 -12.560 -6.857 1.00 0.00 C ATOM 791 O THR A 76 112.345 -13.292 -7.827 1.00 0.00 O ATOM 792 CB THR A 76 109.889 -12.868 -6.237 1.00 0.00 C ATOM 793 OG1 THR A 76 109.471 -13.391 -7.490 1.00 0.00 O ATOM 794 CG2 THR A 76 108.705 -12.193 -5.543 1.00 0.00 C ATOM 0 H THR A 76 110.733 -11.344 -8.519 1.00 0.00 H new ATOM 0 HA THR A 76 111.219 -11.270 -5.562 1.00 0.00 H new ATOM 0 HB THR A 76 110.259 -13.678 -5.608 1.00 0.00 H new ATOM 0 HG1 THR A 76 110.257 -13.578 -8.045 1.00 0.00 H new ATOM 0 HG21 THR A 76 107.911 -12.923 -5.385 1.00 0.00 H new ATOM 0 HG22 THR A 76 109.027 -11.793 -4.581 1.00 0.00 H new ATOM 0 HG23 THR A 76 108.332 -11.381 -6.167 1.00 0.00 H new ATOM 802 N ASN A 77 113.367 -12.350 -6.115 1.00 0.00 N ATOM 803 CA ASN A 77 114.662 -13.018 -6.455 1.00 0.00 C ATOM 804 C ASN A 77 115.568 -13.116 -5.222 1.00 0.00 C ATOM 805 O ASN A 77 115.997 -12.117 -4.678 1.00 0.00 O ATOM 806 CB ASN A 77 115.299 -12.112 -7.511 1.00 0.00 C ATOM 807 CG ASN A 77 115.040 -12.682 -8.907 1.00 0.00 C ATOM 808 OD1 ASN A 77 114.402 -12.050 -9.725 1.00 0.00 O ATOM 809 ND2 ASN A 77 115.510 -13.860 -9.216 1.00 0.00 N ATOM 0 H ASN A 77 113.392 -11.748 -5.292 1.00 0.00 H new ATOM 0 HA ASN A 77 114.514 -14.037 -6.812 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.887 -11.106 -7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 77 116.372 -12.031 -7.335 1.00 0.00 H new ATOM 0 HD21 ASN A 77 115.341 -14.249 -10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 77 116.046 -14.391 -8.530 1.00 0.00 H new ATOM 816 N VAL A 78 115.873 -14.317 -4.789 1.00 0.00 N ATOM 817 CA VAL A 78 116.768 -14.483 -3.601 1.00 0.00 C ATOM 818 C VAL A 78 118.204 -14.111 -3.983 1.00 0.00 C ATOM 819 O VAL A 78 118.932 -13.532 -3.198 1.00 0.00 O ATOM 820 CB VAL A 78 116.669 -15.965 -3.210 1.00 0.00 C ATOM 821 CG1 VAL A 78 117.589 -16.262 -2.018 1.00 0.00 C ATOM 822 CG2 VAL A 78 115.228 -16.289 -2.815 1.00 0.00 C ATOM 0 H VAL A 78 115.541 -15.187 -5.206 1.00 0.00 H new ATOM 0 HA VAL A 78 116.478 -13.839 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 78 116.973 -16.575 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 78 117.510 -17.316 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 78 118.620 -16.033 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 78 117.292 -15.649 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 78 115.155 -17.340 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 78 114.935 -15.668 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.566 -16.090 -3.658 1.00 0.00 H new ATOM 832 N ASP A 79 118.616 -14.440 -5.185 1.00 0.00 N ATOM 833 CA ASP A 79 120.010 -14.106 -5.624 1.00 0.00 C ATOM 834 C ASP A 79 120.228 -12.593 -5.539 1.00 0.00 C ATOM 835 O ASP A 79 121.203 -12.127 -4.982 1.00 0.00 O ATOM 836 CB ASP A 79 120.102 -14.584 -7.076 1.00 0.00 C ATOM 837 CG ASP A 79 121.544 -14.453 -7.579 1.00 0.00 C ATOM 838 OD1 ASP A 79 122.243 -13.570 -7.107 1.00 0.00 O ATOM 839 OD2 ASP A 79 121.925 -15.240 -8.429 1.00 0.00 O ATOM 0 H ASP A 79 118.048 -14.925 -5.880 1.00 0.00 H new ATOM 0 HA ASP A 79 120.768 -14.578 -4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.776 -15.622 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 79 119.434 -13.996 -7.705 1.00 0.00 H new ATOM 844 N GLN A 80 119.308 -11.826 -6.066 1.00 0.00 N ATOM 845 CA GLN A 80 119.435 -10.342 -5.997 1.00 0.00 C ATOM 846 C GLN A 80 118.896 -9.832 -4.650 1.00 0.00 C ATOM 847 O GLN A 80 119.136 -8.703 -4.266 1.00 0.00 O ATOM 848 CB GLN A 80 118.590 -9.814 -7.156 1.00 0.00 C ATOM 849 CG GLN A 80 118.968 -8.360 -7.439 1.00 0.00 C ATOM 850 CD GLN A 80 118.323 -7.908 -8.749 1.00 0.00 C ATOM 851 OE1 GLN A 80 117.142 -8.103 -8.958 1.00 0.00 O ATOM 852 NE2 GLN A 80 119.056 -7.311 -9.649 1.00 0.00 N ATOM 0 H GLN A 80 118.473 -12.166 -6.542 1.00 0.00 H new ATOM 0 HA GLN A 80 120.470 -10.009 -6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.752 -10.423 -8.045 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.531 -9.885 -6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 80 118.637 -7.722 -6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 80 120.052 -8.261 -7.502 1.00 0.00 H new ATOM 0 HE21 GLN A 80 120.047 -7.148 -9.473 1.00 0.00 H new ATOM 0 HE22 GLN A 80 118.637 -7.008 -10.528 1.00 0.00 H new ATOM 861 N ASP A 81 118.174 -10.661 -3.925 1.00 0.00 N ATOM 862 CA ASP A 81 117.619 -10.249 -2.598 1.00 0.00 C ATOM 863 C ASP A 81 116.777 -8.974 -2.725 1.00 0.00 C ATOM 864 O ASP A 81 116.837 -8.104 -1.876 1.00 0.00 O ATOM 865 CB ASP A 81 118.835 -9.996 -1.698 1.00 0.00 C ATOM 866 CG ASP A 81 118.381 -9.783 -0.247 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.190 -9.696 0.011 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.343 -9.695 0.740 1.00 0.00 O ATOM 0 H ASP A 81 117.946 -11.615 -4.203 1.00 0.00 H new ATOM 0 HA ASP A 81 116.964 -11.018 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.520 -10.842 -1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.381 -9.120 -2.049 1.00 0.00 H new ATOM 874 N LEU A 82 115.998 -8.854 -3.773 1.00 0.00 N ATOM 875 CA LEU A 82 115.162 -7.626 -3.940 1.00 0.00 C ATOM 876 C LEU A 82 113.774 -7.960 -4.500 1.00 0.00 C ATOM 877 O LEU A 82 113.604 -8.870 -5.287 1.00 0.00 O ATOM 878 CB LEU A 82 115.936 -6.743 -4.921 1.00 0.00 C ATOM 879 CG LEU A 82 117.176 -6.170 -4.228 1.00 0.00 C ATOM 880 CD1 LEU A 82 118.010 -5.382 -5.242 1.00 0.00 C ATOM 881 CD2 LEU A 82 116.742 -5.237 -3.093 1.00 0.00 C ATOM 0 H LEU A 82 115.906 -9.548 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 82 114.991 -7.132 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 82 116.231 -7.324 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 82 115.299 -5.933 -5.277 1.00 0.00 H new ATOM 0 HG LEU A 82 117.773 -6.986 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 82 118.892 -4.974 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 82 118.320 -6.044 -6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 82 117.412 -4.566 -5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 82 117.624 -4.829 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 82 116.145 -4.421 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 82 116.148 -5.796 -2.370 1.00 0.00 H new ATOM 893 N VAL A 83 112.789 -7.200 -4.098 1.00 0.00 N ATOM 894 CA VAL A 83 111.389 -7.412 -4.590 1.00 0.00 C ATOM 895 C VAL A 83 110.719 -6.050 -4.786 1.00 0.00 C ATOM 896 O VAL A 83 111.281 -5.025 -4.446 1.00 0.00 O ATOM 897 CB VAL A 83 110.638 -8.220 -3.510 1.00 0.00 C ATOM 898 CG1 VAL A 83 110.990 -9.703 -3.636 1.00 0.00 C ATOM 899 CG2 VAL A 83 110.997 -7.723 -2.100 1.00 0.00 C ATOM 0 H VAL A 83 112.894 -6.428 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 83 111.379 -7.948 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 83 109.568 -8.081 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 83 110.458 -10.269 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 83 110.700 -10.063 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 83 112.064 -9.835 -3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 83 110.454 -8.309 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 83 112.069 -7.834 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 83 110.723 -6.672 -2.004 1.00 0.00 H new ATOM 909 N GLY A 84 109.528 -6.028 -5.330 1.00 0.00 N ATOM 910 CA GLY A 84 108.831 -4.725 -5.543 1.00 0.00 C ATOM 911 C GLY A 84 107.362 -4.965 -5.886 1.00 0.00 C ATOM 912 O GLY A 84 106.945 -6.080 -6.137 1.00 0.00 O ATOM 0 H GLY A 84 109.011 -6.853 -5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 84 108.907 -4.112 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.315 -4.172 -6.348 1.00 0.00 H new ATOM 916 N TRP A 85 106.578 -3.918 -5.902 1.00 0.00 N ATOM 917 CA TRP A 85 105.130 -4.057 -6.233 1.00 0.00 C ATOM 918 C TRP A 85 104.753 -3.053 -7.326 1.00 0.00 C ATOM 919 O TRP A 85 105.433 -2.065 -7.528 1.00 0.00 O ATOM 920 CB TRP A 85 104.390 -3.734 -4.934 1.00 0.00 C ATOM 921 CG TRP A 85 104.692 -4.779 -3.908 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.430 -6.100 -4.043 1.00 0.00 C ATOM 923 CD2 TRP A 85 105.304 -4.616 -2.595 1.00 0.00 C ATOM 924 NE1 TRP A 85 104.841 -6.757 -2.897 1.00 0.00 N ATOM 925 CE2 TRP A 85 105.387 -5.885 -1.976 1.00 0.00 C ATOM 926 CE3 TRP A 85 105.789 -3.501 -1.889 1.00 0.00 C ATOM 927 CZ2 TRP A 85 105.933 -6.043 -0.701 1.00 0.00 C ATOM 928 CZ3 TRP A 85 106.340 -3.656 -0.607 1.00 0.00 C ATOM 929 CH2 TRP A 85 106.411 -4.924 -0.014 1.00 0.00 C ATOM 0 H TRP A 85 106.882 -2.966 -5.698 1.00 0.00 H new ATOM 0 HA TRP A 85 104.881 -5.051 -6.603 1.00 0.00 H new ATOM 0 HB2 TRP A 85 104.691 -2.753 -4.567 1.00 0.00 H new ATOM 0 HB3 TRP A 85 103.316 -3.690 -5.117 1.00 0.00 H new ATOM 0 HD1 TRP A 85 103.974 -6.565 -4.905 1.00 0.00 H new ATOM 0 HE1 TRP A 85 104.752 -7.762 -2.750 1.00 0.00 H new ATOM 0 HE3 TRP A 85 105.737 -2.519 -2.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 105.986 -7.022 -0.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 106.711 -2.793 -0.075 1.00 0.00 H new ATOM 0 HH2 TRP A 85 106.835 -5.036 0.973 1.00 0.00 H new ATOM 940 N GLN A 86 103.678 -3.299 -8.029 1.00 0.00 N ATOM 941 CA GLN A 86 103.256 -2.358 -9.110 1.00 0.00 C ATOM 942 C GLN A 86 102.504 -1.169 -8.507 1.00 0.00 C ATOM 943 O GLN A 86 101.495 -1.335 -7.847 1.00 0.00 O ATOM 944 CB GLN A 86 102.338 -3.176 -10.014 1.00 0.00 C ATOM 945 CG GLN A 86 101.933 -2.338 -11.227 1.00 0.00 C ATOM 946 CD GLN A 86 101.022 -3.165 -12.139 1.00 0.00 C ATOM 947 OE1 GLN A 86 101.460 -4.123 -12.744 1.00 0.00 O ATOM 948 NE2 GLN A 86 99.767 -2.832 -12.262 1.00 0.00 N ATOM 0 H GLN A 86 103.074 -4.111 -7.902 1.00 0.00 H new ATOM 0 HA GLN A 86 104.104 -1.951 -9.660 1.00 0.00 H new ATOM 0 HB2 GLN A 86 102.846 -4.084 -10.340 1.00 0.00 H new ATOM 0 HB3 GLN A 86 101.451 -3.488 -9.462 1.00 0.00 H new ATOM 0 HG2 GLN A 86 101.417 -1.435 -10.902 1.00 0.00 H new ATOM 0 HG3 GLN A 86 102.820 -2.019 -11.774 1.00 0.00 H new ATOM 0 HE21 GLN A 86 99.401 -2.027 -11.753 1.00 0.00 H new ATOM 0 HE22 GLN A 86 99.152 -3.376 -12.867 1.00 0.00 H new ATOM 957 N ALA A 87 102.991 0.026 -8.726 1.00 0.00 N ATOM 958 CA ALA A 87 102.311 1.232 -8.165 1.00 0.00 C ATOM 959 C ALA A 87 101.750 2.104 -9.299 1.00 0.00 C ATOM 960 O ALA A 87 102.234 2.044 -10.413 1.00 0.00 O ATOM 961 CB ALA A 87 103.400 1.981 -7.399 1.00 0.00 C ATOM 0 H ALA A 87 103.832 0.219 -9.270 1.00 0.00 H new ATOM 0 HA ALA A 87 101.470 0.970 -7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 87 102.978 2.883 -6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 87 103.797 1.341 -6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 87 104.203 2.255 -8.083 1.00 0.00 H new ATOM 967 N PRO A 88 100.741 2.891 -8.988 1.00 0.00 N ATOM 968 CA PRO A 88 100.131 3.770 -10.016 1.00 0.00 C ATOM 969 C PRO A 88 101.080 4.926 -10.369 1.00 0.00 C ATOM 970 O PRO A 88 101.897 5.315 -9.558 1.00 0.00 O ATOM 971 CB PRO A 88 98.865 4.293 -9.340 1.00 0.00 C ATOM 972 CG PRO A 88 99.144 4.204 -7.874 1.00 0.00 C ATOM 973 CD PRO A 88 100.083 3.043 -7.678 1.00 0.00 C ATOM 0 HA PRO A 88 99.924 3.251 -10.952 1.00 0.00 H new ATOM 0 HB2 PRO A 88 98.653 5.319 -9.640 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.996 3.695 -9.613 1.00 0.00 H new ATOM 0 HG2 PRO A 88 99.591 5.129 -7.509 1.00 0.00 H new ATOM 0 HG3 PRO A 88 98.221 4.053 -7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 88 100.807 3.244 -6.889 1.00 0.00 H new ATOM 0 HD3 PRO A 88 99.545 2.138 -7.394 1.00 0.00 H new ATOM 981 N PRO A 89 100.948 5.446 -11.572 1.00 0.00 N ATOM 982 CA PRO A 89 101.819 6.567 -12.004 1.00 0.00 C ATOM 983 C PRO A 89 101.416 7.861 -11.289 1.00 0.00 C ATOM 984 O PRO A 89 100.290 8.012 -10.853 1.00 0.00 O ATOM 985 CB PRO A 89 101.559 6.669 -13.505 1.00 0.00 C ATOM 986 CG PRO A 89 100.197 6.086 -13.704 1.00 0.00 C ATOM 987 CD PRO A 89 99.996 5.053 -12.628 1.00 0.00 C ATOM 0 HA PRO A 89 102.872 6.406 -11.771 1.00 0.00 H new ATOM 0 HB2 PRO A 89 101.598 7.705 -13.842 1.00 0.00 H new ATOM 0 HB3 PRO A 89 102.310 6.120 -14.073 1.00 0.00 H new ATOM 0 HG2 PRO A 89 99.433 6.861 -13.641 1.00 0.00 H new ATOM 0 HG3 PRO A 89 100.112 5.634 -14.692 1.00 0.00 H new ATOM 0 HD2 PRO A 89 98.970 5.054 -12.261 1.00 0.00 H new ATOM 0 HD3 PRO A 89 100.201 4.048 -12.996 1.00 0.00 H new ATOM 995 N GLY A 90 102.330 8.790 -11.167 1.00 0.00 N ATOM 996 CA GLY A 90 102.010 10.076 -10.480 1.00 0.00 C ATOM 997 C GLY A 90 102.731 10.128 -9.133 1.00 0.00 C ATOM 998 O GLY A 90 102.252 10.721 -8.186 1.00 0.00 O ATOM 0 H GLY A 90 103.286 8.712 -11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 90 102.316 10.918 -11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 90 100.934 10.163 -10.332 1.00 0.00 H new ATOM 1002 N ALA A 91 103.881 9.507 -9.041 1.00 0.00 N ATOM 1003 CA ALA A 91 104.641 9.512 -7.756 1.00 0.00 C ATOM 1004 C ALA A 91 106.088 9.955 -7.994 1.00 0.00 C ATOM 1005 O ALA A 91 106.589 9.900 -9.101 1.00 0.00 O ATOM 1006 CB ALA A 91 104.597 8.066 -7.265 1.00 0.00 C ATOM 0 H ALA A 91 104.326 8.996 -9.803 1.00 0.00 H new ATOM 0 HA ALA A 91 104.215 10.204 -7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 91 105.136 7.986 -6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 91 103.560 7.763 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 91 105.063 7.416 -8.005 1.00 0.00 H new ATOM 1012 N ARG A 92 106.758 10.393 -6.958 1.00 0.00 N ATOM 1013 CA ARG A 92 108.176 10.845 -7.110 1.00 0.00 C ATOM 1014 C ARG A 92 109.070 9.664 -7.498 1.00 0.00 C ATOM 1015 O ARG A 92 108.901 8.562 -7.011 1.00 0.00 O ATOM 1016 CB ARG A 92 108.576 11.388 -5.736 1.00 0.00 C ATOM 1017 CG ARG A 92 107.814 12.684 -5.456 1.00 0.00 C ATOM 1018 CD ARG A 92 108.215 13.227 -4.082 1.00 0.00 C ATOM 1019 NE ARG A 92 107.249 14.336 -3.810 1.00 0.00 N ATOM 1020 CZ ARG A 92 106.067 14.100 -3.279 1.00 0.00 C ATOM 1021 NH1 ARG A 92 105.605 12.877 -3.151 1.00 0.00 N ATOM 1022 NH2 ARG A 92 105.336 15.103 -2.877 1.00 0.00 N ATOM 0 H ARG A 92 106.384 10.457 -6.011 1.00 0.00 H new ATOM 0 HA ARG A 92 108.283 11.598 -7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 92 108.356 10.651 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 92 109.650 11.571 -5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 92 108.034 13.421 -6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 92 106.740 12.501 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 92 108.153 12.452 -3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 92 109.243 13.590 -4.085 1.00 0.00 H new ATOM 0 HE ARG A 92 107.511 15.295 -4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 92 106.165 12.085 -3.466 1.00 0.00 H new ATOM 0 HH12 ARG A 92 104.686 12.720 -2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 92 105.682 16.058 -2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 92 104.419 14.933 -2.464 1.00 0.00 H new ATOM 1036 N SER A 93 110.018 9.889 -8.372 1.00 0.00 N ATOM 1037 CA SER A 93 110.929 8.787 -8.799 1.00 0.00 C ATOM 1038 C SER A 93 112.385 9.160 -8.505 1.00 0.00 C ATOM 1039 O SER A 93 112.764 10.314 -8.579 1.00 0.00 O ATOM 1040 CB SER A 93 110.705 8.647 -10.304 1.00 0.00 C ATOM 1041 OG SER A 93 109.409 8.113 -10.537 1.00 0.00 O ATOM 0 H SER A 93 110.200 10.792 -8.809 1.00 0.00 H new ATOM 0 HA SER A 93 110.727 7.856 -8.269 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.804 9.618 -10.790 1.00 0.00 H new ATOM 0 HB3 SER A 93 111.463 7.995 -10.737 1.00 0.00 H new ATOM 0 HG SER A 93 109.261 8.023 -11.502 1.00 0.00 H new ATOM 1047 N LEU A 94 113.200 8.191 -8.171 1.00 0.00 N ATOM 1048 CA LEU A 94 114.633 8.480 -7.867 1.00 0.00 C ATOM 1049 C LEU A 94 115.493 8.278 -9.119 1.00 0.00 C ATOM 1050 O LEU A 94 115.242 7.398 -9.920 1.00 0.00 O ATOM 1051 CB LEU A 94 115.019 7.472 -6.784 1.00 0.00 C ATOM 1052 CG LEU A 94 114.197 7.740 -5.523 1.00 0.00 C ATOM 1053 CD1 LEU A 94 114.452 6.632 -4.501 1.00 0.00 C ATOM 1054 CD2 LEU A 94 114.609 9.088 -4.926 1.00 0.00 C ATOM 0 H LEU A 94 112.933 7.210 -8.096 1.00 0.00 H new ATOM 0 HA LEU A 94 114.786 9.509 -7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 94 114.842 6.456 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 94 116.083 7.551 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 94 113.137 7.761 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 94 113.866 6.824 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 94 114.161 5.671 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 94 115.511 6.610 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 94 114.024 9.282 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 94 115.669 9.065 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 94 114.428 9.879 -5.654 1.00 0.00 H new ATOM 1066 N THR A 95 116.506 9.090 -9.286 1.00 0.00 N ATOM 1067 CA THR A 95 117.394 8.956 -10.481 1.00 0.00 C ATOM 1068 C THR A 95 118.728 8.303 -10.080 1.00 0.00 C ATOM 1069 O THR A 95 119.165 8.452 -8.956 1.00 0.00 O ATOM 1070 CB THR A 95 117.619 10.391 -10.980 1.00 0.00 C ATOM 1071 OG1 THR A 95 118.477 10.366 -12.111 1.00 0.00 O ATOM 1072 CG2 THR A 95 118.257 11.246 -9.877 1.00 0.00 C ATOM 0 H THR A 95 116.757 9.842 -8.644 1.00 0.00 H new ATOM 0 HA THR A 95 116.953 8.326 -11.254 1.00 0.00 H new ATOM 0 HB THR A 95 116.657 10.826 -11.252 1.00 0.00 H new ATOM 0 HG1 THR A 95 117.941 10.281 -12.927 1.00 0.00 H new ATOM 0 HG21 THR A 95 118.410 12.260 -10.246 1.00 0.00 H new ATOM 0 HG22 THR A 95 117.598 11.271 -9.009 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.217 10.815 -9.592 1.00 0.00 H new ATOM 1080 N PRO A 96 119.339 7.595 -11.007 1.00 0.00 N ATOM 1081 CA PRO A 96 120.632 6.927 -10.708 1.00 0.00 C ATOM 1082 C PRO A 96 121.744 7.967 -10.542 1.00 0.00 C ATOM 1083 O PRO A 96 121.690 9.040 -11.114 1.00 0.00 O ATOM 1084 CB PRO A 96 120.878 6.049 -11.933 1.00 0.00 C ATOM 1085 CG PRO A 96 120.105 6.701 -13.033 1.00 0.00 C ATOM 1086 CD PRO A 96 118.907 7.350 -12.395 1.00 0.00 C ATOM 0 HA PRO A 96 120.615 6.354 -9.781 1.00 0.00 H new ATOM 0 HB2 PRO A 96 121.940 5.995 -12.174 1.00 0.00 H new ATOM 0 HB3 PRO A 96 120.538 5.028 -11.762 1.00 0.00 H new ATOM 0 HG2 PRO A 96 120.716 7.441 -13.550 1.00 0.00 H new ATOM 0 HG3 PRO A 96 119.797 5.967 -13.777 1.00 0.00 H new ATOM 0 HD2 PRO A 96 118.638 8.278 -12.900 1.00 0.00 H new ATOM 0 HD3 PRO A 96 118.032 6.701 -12.433 1.00 0.00 H new ATOM 1094 N CYS A 97 122.747 7.657 -9.760 1.00 0.00 N ATOM 1095 CA CYS A 97 123.865 8.626 -9.547 1.00 0.00 C ATOM 1096 C CYS A 97 124.852 8.568 -10.715 1.00 0.00 C ATOM 1097 O CYS A 97 125.307 7.509 -11.105 1.00 0.00 O ATOM 1098 CB CYS A 97 124.543 8.176 -8.252 1.00 0.00 C ATOM 1099 SG CYS A 97 125.687 9.462 -7.693 1.00 0.00 S ATOM 0 H CYS A 97 122.840 6.773 -9.259 1.00 0.00 H new ATOM 0 HA CYS A 97 123.508 9.654 -9.485 1.00 0.00 H new ATOM 0 HB2 CYS A 97 123.794 7.982 -7.485 1.00 0.00 H new ATOM 0 HB3 CYS A 97 125.081 7.242 -8.416 1.00 0.00 H new ATOM 0 HG CYS A 97 125.055 10.304 -6.931 1.00 0.00 H new ATOM 1104 N THR A 98 125.188 9.705 -11.269 1.00 0.00 N ATOM 1105 CA THR A 98 126.151 9.735 -12.410 1.00 0.00 C ATOM 1106 C THR A 98 127.172 10.858 -12.200 1.00 0.00 C ATOM 1107 O THR A 98 127.328 11.731 -13.034 1.00 0.00 O ATOM 1108 CB THR A 98 125.295 10.001 -13.656 1.00 0.00 C ATOM 1109 OG1 THR A 98 126.137 10.069 -14.798 1.00 0.00 O ATOM 1110 CG2 THR A 98 124.531 11.323 -13.508 1.00 0.00 C ATOM 0 H THR A 98 124.835 10.617 -10.979 1.00 0.00 H new ATOM 0 HA THR A 98 126.713 8.806 -12.504 1.00 0.00 H new ATOM 0 HB THR A 98 124.576 9.190 -13.771 1.00 0.00 H new ATOM 0 HG1 THR A 98 126.863 10.705 -14.631 1.00 0.00 H new ATOM 0 HG21 THR A 98 123.929 11.497 -14.400 1.00 0.00 H new ATOM 0 HG22 THR A 98 123.880 11.271 -12.635 1.00 0.00 H new ATOM 0 HG23 THR A 98 125.240 12.141 -13.384 1.00 0.00 H new ATOM 1118 N CYS A 99 127.862 10.841 -11.087 1.00 0.00 N ATOM 1119 CA CYS A 99 128.871 11.909 -10.809 1.00 0.00 C ATOM 1120 C CYS A 99 130.081 11.356 -10.035 1.00 0.00 C ATOM 1121 O CYS A 99 130.902 12.110 -9.550 1.00 0.00 O ATOM 1122 CB CYS A 99 128.123 12.958 -9.970 1.00 0.00 C ATOM 1123 SG CYS A 99 127.475 12.206 -8.448 1.00 0.00 S ATOM 0 H CYS A 99 127.770 10.133 -10.358 1.00 0.00 H new ATOM 0 HA CYS A 99 129.272 12.328 -11.732 1.00 0.00 H new ATOM 0 HB2 CYS A 99 128.795 13.779 -9.720 1.00 0.00 H new ATOM 0 HB3 CYS A 99 127.304 13.381 -10.551 1.00 0.00 H new ATOM 0 HG CYS A 99 126.815 11.126 -8.745 1.00 0.00 H new ATOM 1128 N GLY A 100 130.207 10.049 -9.923 1.00 0.00 N ATOM 1129 CA GLY A 100 131.373 9.453 -9.190 1.00 0.00 C ATOM 1130 C GLY A 100 131.522 10.091 -7.802 1.00 0.00 C ATOM 1131 O GLY A 100 132.588 10.546 -7.433 1.00 0.00 O ATOM 0 H GLY A 100 129.550 9.371 -10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 100 131.234 8.377 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 100 132.287 9.603 -9.765 1.00 0.00 H new ATOM 1135 N SER A 101 130.460 10.130 -7.036 1.00 0.00 N ATOM 1136 CA SER A 101 130.538 10.742 -5.675 1.00 0.00 C ATOM 1137 C SER A 101 131.146 9.754 -4.677 1.00 0.00 C ATOM 1138 O SER A 101 130.531 8.768 -4.315 1.00 0.00 O ATOM 1139 CB SER A 101 129.091 11.057 -5.297 1.00 0.00 C ATOM 1140 OG SER A 101 129.062 12.228 -4.493 1.00 0.00 O ATOM 0 H SER A 101 129.543 9.765 -7.295 1.00 0.00 H new ATOM 0 HA SER A 101 131.168 11.631 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 101 128.492 11.204 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A 101 128.653 10.219 -4.755 1.00 0.00 H new ATOM 0 HG SER A 101 128.523 12.916 -4.936 1.00 0.00 H new ATOM 1146 N SER A 102 132.346 10.018 -4.226 1.00 0.00 N ATOM 1147 CA SER A 102 132.999 9.102 -3.240 1.00 0.00 C ATOM 1148 C SER A 102 132.289 9.202 -1.888 1.00 0.00 C ATOM 1149 O SER A 102 132.164 8.228 -1.170 1.00 0.00 O ATOM 1150 CB SER A 102 134.443 9.591 -3.128 1.00 0.00 C ATOM 1151 OG SER A 102 134.448 10.985 -2.853 1.00 0.00 O ATOM 0 H SER A 102 132.903 10.828 -4.498 1.00 0.00 H new ATOM 0 HA SER A 102 132.953 8.058 -3.551 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.961 9.051 -2.336 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.980 9.390 -4.055 1.00 0.00 H new ATOM 0 HG SER A 102 135.373 11.301 -2.779 1.00 0.00 H new ATOM 1157 N ASP A 103 131.824 10.375 -1.543 1.00 0.00 N ATOM 1158 CA ASP A 103 131.116 10.554 -0.240 1.00 0.00 C ATOM 1159 C ASP A 103 129.643 10.165 -0.389 1.00 0.00 C ATOM 1160 O ASP A 103 128.879 10.840 -1.054 1.00 0.00 O ATOM 1161 CB ASP A 103 131.249 12.045 0.080 1.00 0.00 C ATOM 1162 CG ASP A 103 130.728 12.322 1.494 1.00 0.00 C ATOM 1163 OD1 ASP A 103 129.842 11.606 1.934 1.00 0.00 O ATOM 1164 OD2 ASP A 103 131.226 13.247 2.115 1.00 0.00 O ATOM 0 H ASP A 103 131.904 11.219 -2.110 1.00 0.00 H new ATOM 0 HA ASP A 103 131.533 9.930 0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 103 132.292 12.352 0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.688 12.633 -0.646 1.00 0.00 H new ATOM 1169 N LEU A 104 129.243 9.080 0.222 1.00 0.00 N ATOM 1170 CA LEU A 104 127.820 8.636 0.120 1.00 0.00 C ATOM 1171 C LEU A 104 127.150 8.688 1.496 1.00 0.00 C ATOM 1172 O LEU A 104 127.722 8.277 2.486 1.00 0.00 O ATOM 1173 CB LEU A 104 127.889 7.194 -0.389 1.00 0.00 C ATOM 1174 CG LEU A 104 128.575 7.163 -1.757 1.00 0.00 C ATOM 1175 CD1 LEU A 104 128.768 5.711 -2.199 1.00 0.00 C ATOM 1176 CD2 LEU A 104 127.704 7.894 -2.782 1.00 0.00 C ATOM 0 H LEU A 104 129.842 8.480 0.789 1.00 0.00 H new ATOM 0 HA LEU A 104 127.235 9.274 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 104 128.439 6.574 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.885 6.776 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 104 129.545 7.654 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 104 129.256 5.689 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 104 129.388 5.188 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 104 127.797 5.220 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 104 128.192 7.872 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 104 126.734 7.402 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 104 127.565 8.929 -2.469 1.00 0.00 H new ATOM 1188 N TYR A 105 125.942 9.186 1.563 1.00 0.00 N ATOM 1189 CA TYR A 105 125.232 9.265 2.875 1.00 0.00 C ATOM 1190 C TYR A 105 124.124 8.211 2.940 1.00 0.00 C ATOM 1191 O TYR A 105 123.427 7.972 1.972 1.00 0.00 O ATOM 1192 CB TYR A 105 124.638 10.673 2.923 1.00 0.00 C ATOM 1193 CG TYR A 105 125.747 11.680 3.112 1.00 0.00 C ATOM 1194 CD1 TYR A 105 126.190 11.998 4.401 1.00 0.00 C ATOM 1195 CD2 TYR A 105 126.330 12.296 1.999 1.00 0.00 C ATOM 1196 CE1 TYR A 105 127.217 12.933 4.578 1.00 0.00 C ATOM 1197 CE2 TYR A 105 127.358 13.231 2.175 1.00 0.00 C ATOM 1198 CZ TYR A 105 127.801 13.550 3.465 1.00 0.00 C ATOM 1199 OH TYR A 105 128.813 14.471 3.639 1.00 0.00 O ATOM 0 H TYR A 105 125.416 9.542 0.765 1.00 0.00 H new ATOM 0 HA TYR A 105 125.899 9.077 3.717 1.00 0.00 H new ATOM 0 HB2 TYR A 105 124.095 10.882 2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.920 10.749 3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 105 125.739 11.522 5.259 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.987 12.051 1.005 1.00 0.00 H new ATOM 0 HE1 TYR A 105 127.559 13.178 5.573 1.00 0.00 H new ATOM 0 HE2 TYR A 105 127.809 13.706 1.316 1.00 0.00 H new ATOM 0 HH TYR A 105 129.622 14.157 3.184 1.00 0.00 H new ATOM 1209 N LEU A 106 123.961 7.579 4.074 1.00 0.00 N ATOM 1210 CA LEU A 106 122.903 6.534 4.213 1.00 0.00 C ATOM 1211 C LEU A 106 121.797 7.019 5.154 1.00 0.00 C ATOM 1212 O LEU A 106 122.058 7.676 6.144 1.00 0.00 O ATOM 1213 CB LEU A 106 123.623 5.320 4.803 1.00 0.00 C ATOM 1214 CG LEU A 106 122.691 4.103 4.775 1.00 0.00 C ATOM 1215 CD1 LEU A 106 123.499 2.848 4.440 1.00 0.00 C ATOM 1216 CD2 LEU A 106 122.034 3.931 6.147 1.00 0.00 C ATOM 0 H LEU A 106 124.518 7.743 4.913 1.00 0.00 H new ATOM 0 HA LEU A 106 122.424 6.300 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.529 5.110 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 106 123.932 5.530 5.827 1.00 0.00 H new ATOM 0 HG LEU A 106 121.922 4.254 4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 106 122.836 1.983 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 106 123.969 2.968 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 106 124.269 2.698 5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 106 121.371 3.066 6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 106 122.805 3.781 6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 106 121.458 4.824 6.389 1.00 0.00 H new ATOM 1228 N VAL A 107 120.566 6.700 4.846 1.00 0.00 N ATOM 1229 CA VAL A 107 119.431 7.140 5.715 1.00 0.00 C ATOM 1230 C VAL A 107 119.077 6.037 6.718 1.00 0.00 C ATOM 1231 O VAL A 107 118.910 4.887 6.356 1.00 0.00 O ATOM 1232 CB VAL A 107 118.266 7.392 4.750 1.00 0.00 C ATOM 1233 CG1 VAL A 107 117.035 7.852 5.536 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.657 8.480 3.746 1.00 0.00 C ATOM 0 H VAL A 107 120.297 6.153 4.029 1.00 0.00 H new ATOM 0 HA VAL A 107 119.674 8.029 6.297 1.00 0.00 H new ATOM 0 HB VAL A 107 118.036 6.468 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.209 8.030 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.751 7.080 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.268 8.774 6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.828 8.658 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 107 118.890 9.401 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.531 8.157 3.181 1.00 0.00 H new ATOM 1244 N THR A 108 118.961 6.383 7.975 1.00 0.00 N ATOM 1245 CA THR A 108 118.617 5.365 9.012 1.00 0.00 C ATOM 1246 C THR A 108 117.150 5.512 9.427 1.00 0.00 C ATOM 1247 O THR A 108 116.526 6.529 9.182 1.00 0.00 O ATOM 1248 CB THR A 108 119.542 5.673 10.192 1.00 0.00 C ATOM 1249 OG1 THR A 108 120.870 5.840 9.716 1.00 0.00 O ATOM 1250 CG2 THR A 108 119.497 4.518 11.193 1.00 0.00 C ATOM 0 H THR A 108 119.090 7.331 8.328 1.00 0.00 H new ATOM 0 HA THR A 108 118.745 4.345 8.650 1.00 0.00 H new ATOM 0 HB THR A 108 119.214 6.588 10.684 1.00 0.00 H new ATOM 0 HG1 THR A 108 121.018 6.780 9.481 1.00 0.00 H new ATOM 0 HG21 THR A 108 120.156 4.738 12.033 1.00 0.00 H new ATOM 0 HG22 THR A 108 118.477 4.391 11.556 1.00 0.00 H new ATOM 0 HG23 THR A 108 119.826 3.601 10.705 1.00 0.00 H new ATOM 1258 N ARG A 109 116.595 4.502 10.050 1.00 0.00 N ATOM 1259 CA ARG A 109 115.164 4.576 10.480 1.00 0.00 C ATOM 1260 C ARG A 109 114.957 5.730 11.474 1.00 0.00 C ATOM 1261 O ARG A 109 113.862 6.239 11.622 1.00 0.00 O ATOM 1262 CB ARG A 109 114.863 3.220 11.138 1.00 0.00 C ATOM 1263 CG ARG A 109 115.736 3.026 12.384 1.00 0.00 C ATOM 1264 CD ARG A 109 115.522 1.614 12.940 1.00 0.00 C ATOM 1265 NE ARG A 109 116.206 1.604 14.272 1.00 0.00 N ATOM 1266 CZ ARG A 109 116.051 0.600 15.113 1.00 0.00 C ATOM 1267 NH1 ARG A 109 115.461 -0.514 14.747 1.00 0.00 N ATOM 1268 NH2 ARG A 109 116.496 0.714 16.334 1.00 0.00 N ATOM 0 H ARG A 109 117.071 3.629 10.279 1.00 0.00 H new ATOM 0 HA ARG A 109 114.496 4.769 9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 109 113.809 3.167 11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 109 115.048 2.414 10.427 1.00 0.00 H new ATOM 0 HG2 ARG A 109 116.786 3.175 12.133 1.00 0.00 H new ATOM 0 HG3 ARG A 109 115.481 3.769 13.140 1.00 0.00 H new ATOM 0 HD2 ARG A 109 114.460 1.388 13.042 1.00 0.00 H new ATOM 0 HD3 ARG A 109 115.946 0.861 12.275 1.00 0.00 H new ATOM 0 HE ARG A 109 116.803 2.388 14.534 1.00 0.00 H new ATOM 0 HH11 ARG A 109 115.111 -0.617 13.794 1.00 0.00 H new ATOM 0 HH12 ARG A 109 115.353 -1.277 15.415 1.00 0.00 H new ATOM 0 HH21 ARG A 109 116.959 1.574 16.630 1.00 0.00 H new ATOM 0 HH22 ARG A 109 116.381 -0.056 16.993 1.00 0.00 H new ATOM 1282 N HIS A 110 116.000 6.139 12.156 1.00 0.00 N ATOM 1283 CA HIS A 110 115.866 7.254 13.142 1.00 0.00 C ATOM 1284 C HIS A 110 116.250 8.592 12.500 1.00 0.00 C ATOM 1285 O HIS A 110 116.667 9.515 13.174 1.00 0.00 O ATOM 1286 CB HIS A 110 116.838 6.903 14.270 1.00 0.00 C ATOM 1287 CG HIS A 110 116.375 7.542 15.551 1.00 0.00 C ATOM 1288 ND1 HIS A 110 116.813 7.109 16.792 1.00 0.00 N ATOM 1289 CD2 HIS A 110 115.517 8.585 15.800 1.00 0.00 C ATOM 1290 CE1 HIS A 110 116.223 7.881 17.723 1.00 0.00 C ATOM 1291 NE2 HIS A 110 115.423 8.797 17.172 1.00 0.00 N ATOM 0 H HIS A 110 116.938 5.748 12.071 1.00 0.00 H new ATOM 0 HA HIS A 110 114.842 7.362 13.500 1.00 0.00 H new ATOM 0 HB2 HIS A 110 116.895 5.821 14.391 1.00 0.00 H new ATOM 0 HB3 HIS A 110 117.841 7.249 14.021 1.00 0.00 H new ATOM 0 HD2 HIS A 110 114.995 9.154 15.045 1.00 0.00 H new ATOM 0 HE1 HIS A 110 116.378 7.773 18.786 1.00 0.00 H new ATOM 0 HE2 HIS A 110 114.863 9.501 17.653 1.00 0.00 H new ATOM 1299 N ALA A 111 116.107 8.706 11.200 1.00 0.00 N ATOM 1300 CA ALA A 111 116.456 9.985 10.496 1.00 0.00 C ATOM 1301 C ALA A 111 117.892 10.415 10.818 1.00 0.00 C ATOM 1302 O ALA A 111 118.160 11.576 11.066 1.00 0.00 O ATOM 1303 CB ALA A 111 115.457 11.025 11.012 1.00 0.00 C ATOM 0 H ALA A 111 115.761 7.964 10.592 1.00 0.00 H new ATOM 0 HA ALA A 111 116.401 9.871 9.413 1.00 0.00 H new ATOM 0 HB1 ALA A 111 115.655 11.986 10.538 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.443 10.705 10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 111 115.562 11.125 12.092 1.00 0.00 H new ATOM 1309 N ASP A 112 118.815 9.487 10.811 1.00 0.00 N ATOM 1310 CA ASP A 112 120.238 9.835 11.110 1.00 0.00 C ATOM 1311 C ASP A 112 121.087 9.681 9.845 1.00 0.00 C ATOM 1312 O ASP A 112 121.021 8.675 9.165 1.00 0.00 O ATOM 1313 CB ASP A 112 120.677 8.834 12.181 1.00 0.00 C ATOM 1314 CG ASP A 112 121.955 9.334 12.857 1.00 0.00 C ATOM 1315 OD1 ASP A 112 122.752 9.969 12.184 1.00 0.00 O ATOM 1316 OD2 ASP A 112 122.115 9.076 14.039 1.00 0.00 O ATOM 0 H ASP A 112 118.645 8.501 10.611 1.00 0.00 H new ATOM 0 HA ASP A 112 120.353 10.864 11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 112 119.887 8.708 12.921 1.00 0.00 H new ATOM 0 HB3 ASP A 112 120.850 7.857 11.731 1.00 0.00 H new ATOM 1321 N VAL A 113 121.879 10.674 9.525 1.00 0.00 N ATOM 1322 CA VAL A 113 122.732 10.589 8.299 1.00 0.00 C ATOM 1323 C VAL A 113 124.176 10.238 8.671 1.00 0.00 C ATOM 1324 O VAL A 113 124.663 10.598 9.727 1.00 0.00 O ATOM 1325 CB VAL A 113 122.654 11.977 7.648 1.00 0.00 C ATOM 1326 CG1 VAL A 113 121.206 12.271 7.254 1.00 0.00 C ATOM 1327 CG2 VAL A 113 123.143 13.052 8.627 1.00 0.00 C ATOM 0 H VAL A 113 121.972 11.538 10.058 1.00 0.00 H new ATOM 0 HA VAL A 113 122.389 9.809 7.619 1.00 0.00 H new ATOM 0 HB VAL A 113 123.289 11.989 6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 113 121.148 13.256 6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 113 120.861 11.517 6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 113 120.576 12.250 8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 113 123.082 14.031 8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 113 122.518 13.042 9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 113 124.177 12.847 8.905 1.00 0.00 H new ATOM 1337 N ILE A 114 124.858 9.528 7.809 1.00 0.00 N ATOM 1338 CA ILE A 114 126.270 9.137 8.098 1.00 0.00 C ATOM 1339 C ILE A 114 127.072 9.046 6.783 1.00 0.00 C ATOM 1340 O ILE A 114 126.606 8.449 5.831 1.00 0.00 O ATOM 1341 CB ILE A 114 126.166 7.763 8.776 1.00 0.00 C ATOM 1342 CG1 ILE A 114 127.567 7.256 9.129 1.00 0.00 C ATOM 1343 CG2 ILE A 114 125.486 6.763 7.835 1.00 0.00 C ATOM 1344 CD1 ILE A 114 127.478 6.301 10.322 1.00 0.00 C ATOM 0 H ILE A 114 124.495 9.201 6.913 1.00 0.00 H new ATOM 0 HA ILE A 114 126.786 9.860 8.730 1.00 0.00 H new ATOM 0 HB ILE A 114 125.572 7.861 9.685 1.00 0.00 H new ATOM 0 HG12 ILE A 114 128.007 6.745 8.273 1.00 0.00 H new ATOM 0 HG13 ILE A 114 128.219 8.095 9.369 1.00 0.00 H new ATOM 0 HG21 ILE A 114 125.417 5.792 8.325 1.00 0.00 H new ATOM 0 HG22 ILE A 114 124.485 7.117 7.589 1.00 0.00 H new ATOM 0 HG23 ILE A 114 126.072 6.667 6.921 1.00 0.00 H new ATOM 0 HD11 ILE A 114 128.475 5.940 10.574 1.00 0.00 H new ATOM 0 HD12 ILE A 114 127.056 6.827 11.178 1.00 0.00 H new ATOM 0 HD13 ILE A 114 126.840 5.456 10.065 1.00 0.00 H new ATOM 1356 N PRO A 115 128.250 9.639 6.756 1.00 0.00 N ATOM 1357 CA PRO A 115 129.079 9.599 5.525 1.00 0.00 C ATOM 1358 C PRO A 115 129.671 8.201 5.316 1.00 0.00 C ATOM 1359 O PRO A 115 130.044 7.527 6.257 1.00 0.00 O ATOM 1360 CB PRO A 115 130.177 10.621 5.792 1.00 0.00 C ATOM 1361 CG PRO A 115 130.279 10.704 7.281 1.00 0.00 C ATOM 1362 CD PRO A 115 128.915 10.388 7.837 1.00 0.00 C ATOM 0 HA PRO A 115 128.509 9.822 4.623 1.00 0.00 H new ATOM 0 HB2 PRO A 115 131.123 10.308 5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.927 11.590 5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 115 131.021 9.999 7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 115 130.600 11.699 7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 115 128.984 9.795 8.749 1.00 0.00 H new ATOM 0 HD3 PRO A 115 128.367 11.296 8.088 1.00 0.00 H new ATOM 1370 N VAL A 116 129.752 7.766 4.085 1.00 0.00 N ATOM 1371 CA VAL A 116 130.314 6.413 3.791 1.00 0.00 C ATOM 1372 C VAL A 116 131.380 6.515 2.696 1.00 0.00 C ATOM 1373 O VAL A 116 131.158 7.109 1.658 1.00 0.00 O ATOM 1374 CB VAL A 116 129.119 5.582 3.307 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.580 4.160 2.974 1.00 0.00 C ATOM 1376 CG2 VAL A 116 128.056 5.521 4.409 1.00 0.00 C ATOM 0 H VAL A 116 129.451 8.293 3.265 1.00 0.00 H new ATOM 0 HA VAL A 116 130.793 5.964 4.661 1.00 0.00 H new ATOM 0 HB VAL A 116 128.698 6.047 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 116 128.729 3.573 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 116 130.336 4.197 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 116 130.004 3.697 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 116 127.207 4.930 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.481 5.059 5.300 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.722 6.530 4.648 1.00 0.00 H new ATOM 1386 N ARG A 117 132.534 5.939 2.921 1.00 0.00 N ATOM 1387 CA ARG A 117 133.618 5.997 1.894 1.00 0.00 C ATOM 1388 C ARG A 117 133.343 4.986 0.776 1.00 0.00 C ATOM 1389 O ARG A 117 133.080 3.825 1.031 1.00 0.00 O ATOM 1390 CB ARG A 117 134.900 5.630 2.643 1.00 0.00 C ATOM 1391 CG ARG A 117 136.097 5.743 1.697 1.00 0.00 C ATOM 1392 CD ARG A 117 136.466 7.217 1.513 1.00 0.00 C ATOM 1393 NE ARG A 117 137.486 7.238 0.415 1.00 0.00 N ATOM 1394 CZ ARG A 117 138.031 8.367 0.011 1.00 0.00 C ATOM 1395 NH1 ARG A 117 137.569 9.532 0.406 1.00 0.00 N ATOM 1396 NH2 ARG A 117 139.051 8.328 -0.802 1.00 0.00 N ATOM 0 H ARG A 117 132.772 5.431 3.773 1.00 0.00 H new ATOM 0 HA ARG A 117 133.688 6.979 1.426 1.00 0.00 H new ATOM 0 HB2 ARG A 117 135.036 6.292 3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 117 134.827 4.615 3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 117 136.946 5.192 2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.856 5.295 0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 117 135.591 7.811 1.248 1.00 0.00 H new ATOM 0 HD3 ARG A 117 136.871 7.639 2.433 1.00 0.00 H new ATOM 0 HE ARG A 117 137.763 6.362 -0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 117 136.771 9.576 1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 117 138.009 10.392 0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 117 139.418 7.430 -1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 117 139.482 9.196 -1.122 1.00 0.00 H new ATOM 1410 N ARG A 118 133.404 5.420 -0.458 1.00 0.00 N ATOM 1411 CA ARG A 118 133.148 4.487 -1.600 1.00 0.00 C ATOM 1412 C ARG A 118 134.224 3.396 -1.638 1.00 0.00 C ATOM 1413 O ARG A 118 135.390 3.656 -1.409 1.00 0.00 O ATOM 1414 CB ARG A 118 133.221 5.361 -2.859 1.00 0.00 C ATOM 1415 CG ARG A 118 132.973 4.501 -4.102 1.00 0.00 C ATOM 1416 CD ARG A 118 132.908 5.395 -5.345 1.00 0.00 C ATOM 1417 NE ARG A 118 134.251 6.052 -5.434 1.00 0.00 N ATOM 1418 CZ ARG A 118 134.534 6.898 -6.404 1.00 0.00 C ATOM 1419 NH1 ARG A 118 133.605 7.350 -7.215 1.00 0.00 N ATOM 1420 NH2 ARG A 118 135.767 7.300 -6.559 1.00 0.00 N ATOM 0 H ARG A 118 133.620 6.380 -0.725 1.00 0.00 H new ATOM 0 HA ARG A 118 132.185 3.984 -1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 118 132.480 6.158 -2.803 1.00 0.00 H new ATOM 0 HB3 ARG A 118 134.198 5.839 -2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 118 133.770 3.766 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 118 132.041 3.946 -3.992 1.00 0.00 H new ATOM 0 HD2 ARG A 118 132.697 4.809 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 118 132.114 6.136 -5.255 1.00 0.00 H new ATOM 0 HE ARG A 118 134.959 5.841 -4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 118 132.638 7.047 -7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 118 133.851 8.004 -7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 118 136.497 6.959 -5.933 1.00 0.00 H new ATOM 0 HH22 ARG A 118 136.000 7.955 -7.306 1.00 0.00 H new ATOM 1434 N ARG A 119 133.836 2.178 -1.924 1.00 0.00 N ATOM 1435 CA ARG A 119 134.832 1.065 -1.976 1.00 0.00 C ATOM 1436 C ARG A 119 134.416 0.029 -3.026 1.00 0.00 C ATOM 1437 O ARG A 119 134.427 -1.161 -2.771 1.00 0.00 O ATOM 1438 CB ARG A 119 134.810 0.449 -0.577 1.00 0.00 C ATOM 1439 CG ARG A 119 136.071 -0.390 -0.368 1.00 0.00 C ATOM 1440 CD ARG A 119 137.287 0.536 -0.264 1.00 0.00 C ATOM 1441 NE ARG A 119 138.387 -0.317 0.287 1.00 0.00 N ATOM 1442 CZ ARG A 119 139.529 0.212 0.679 1.00 0.00 C ATOM 1443 NH1 ARG A 119 139.830 1.464 0.424 1.00 0.00 N ATOM 1444 NH2 ARG A 119 140.382 -0.528 1.334 1.00 0.00 N ATOM 0 H ARG A 119 132.873 1.907 -2.124 1.00 0.00 H new ATOM 0 HA ARG A 119 135.827 1.414 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 119 134.754 1.234 0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 119 133.923 -0.173 -0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 119 135.977 -0.988 0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 119 136.200 -1.086 -1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 119 137.556 0.943 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 119 137.081 1.383 0.390 1.00 0.00 H new ATOM 0 HE ARG A 119 138.250 -1.325 0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 119 139.173 2.052 -0.089 1.00 0.00 H new ATOM 0 HH12 ARG A 119 140.721 1.849 0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 119 140.161 -1.503 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 119 141.269 -0.131 1.643 1.00 0.00 H new ATOM 1458 N GLY A 120 134.054 0.474 -4.204 1.00 0.00 N ATOM 1459 CA GLY A 120 133.640 -0.480 -5.276 1.00 0.00 C ATOM 1460 C GLY A 120 132.422 0.077 -6.017 1.00 0.00 C ATOM 1461 O GLY A 120 131.813 1.040 -5.589 1.00 0.00 O ATOM 0 H GLY A 120 134.028 1.459 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 120 134.462 -0.637 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 120 133.401 -1.450 -4.841 1.00 0.00 H new ATOM 1465 N ASP A 121 132.064 -0.524 -7.125 1.00 0.00 N ATOM 1466 CA ASP A 121 130.882 -0.033 -7.903 1.00 0.00 C ATOM 1467 C ASP A 121 129.615 -0.110 -7.045 1.00 0.00 C ATOM 1468 O ASP A 121 128.799 0.792 -7.046 1.00 0.00 O ATOM 1469 CB ASP A 121 130.770 -0.973 -9.105 1.00 0.00 C ATOM 1470 CG ASP A 121 131.937 -0.721 -10.062 1.00 0.00 C ATOM 1471 OD1 ASP A 121 132.006 0.368 -10.607 1.00 0.00 O ATOM 1472 OD2 ASP A 121 132.743 -1.621 -10.230 1.00 0.00 O ATOM 0 H ASP A 121 132.539 -1.333 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 121 130.998 1.006 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 121 130.778 -2.010 -8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 121 129.823 -0.811 -9.619 1.00 0.00 H new ATOM 1477 N SER A 122 129.452 -1.181 -6.311 1.00 0.00 N ATOM 1478 CA SER A 122 128.245 -1.327 -5.443 1.00 0.00 C ATOM 1479 C SER A 122 128.664 -1.666 -4.010 1.00 0.00 C ATOM 1480 O SER A 122 127.914 -2.266 -3.263 1.00 0.00 O ATOM 1481 CB SER A 122 127.453 -2.482 -6.055 1.00 0.00 C ATOM 1482 OG SER A 122 127.340 -2.284 -7.458 1.00 0.00 O ATOM 0 H SER A 122 130.105 -1.963 -6.276 1.00 0.00 H new ATOM 0 HA SER A 122 127.658 -0.410 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 122 127.952 -3.429 -5.849 1.00 0.00 H new ATOM 0 HB3 SER A 122 126.463 -2.538 -5.603 1.00 0.00 H new ATOM 0 HG SER A 122 126.834 -3.024 -7.853 1.00 0.00 H new ATOM 1488 N ARG A 123 129.858 -1.288 -3.624 1.00 0.00 N ATOM 1489 CA ARG A 123 130.332 -1.589 -2.242 1.00 0.00 C ATOM 1490 C ARG A 123 131.003 -0.356 -1.632 1.00 0.00 C ATOM 1491 O ARG A 123 131.774 0.326 -2.280 1.00 0.00 O ATOM 1492 CB ARG A 123 131.346 -2.723 -2.412 1.00 0.00 C ATOM 1493 CG ARG A 123 131.516 -3.478 -1.085 1.00 0.00 C ATOM 1494 CD ARG A 123 132.983 -3.436 -0.641 1.00 0.00 C ATOM 1495 NE ARG A 123 133.304 -4.836 -0.225 1.00 0.00 N ATOM 1496 CZ ARG A 123 133.059 -5.262 0.997 1.00 0.00 C ATOM 1497 NH1 ARG A 123 132.347 -4.552 1.842 1.00 0.00 N ATOM 1498 NH2 ARG A 123 133.532 -6.418 1.376 1.00 0.00 N ATOM 0 H ARG A 123 130.524 -0.783 -4.209 1.00 0.00 H new ATOM 0 HA ARG A 123 129.515 -1.867 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 123 131.010 -3.409 -3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.305 -2.319 -2.736 1.00 0.00 H new ATOM 0 HG2 ARG A 123 130.883 -3.030 -0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 123 131.192 -4.512 -1.202 1.00 0.00 H new ATOM 0 HD2 ARG A 123 133.631 -3.108 -1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 123 133.126 -2.737 0.183 1.00 0.00 H new ATOM 0 HE ARG A 123 133.722 -5.475 -0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 123 131.970 -3.648 1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 123 132.172 -4.904 2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 123 134.084 -6.980 0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 123 133.349 -6.759 2.320 1.00 0.00 H new ATOM 1512 N GLY A 124 130.716 -0.073 -0.389 1.00 0.00 N ATOM 1513 CA GLY A 124 131.332 1.109 0.281 1.00 0.00 C ATOM 1514 C GLY A 124 131.823 0.695 1.667 1.00 0.00 C ATOM 1515 O GLY A 124 131.536 -0.392 2.131 1.00 0.00 O ATOM 0 H GLY A 124 130.077 -0.614 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.162 1.489 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 124 130.604 1.916 0.365 1.00 0.00 H new ATOM 1519 N SER A 125 132.563 1.548 2.329 1.00 0.00 N ATOM 1520 CA SER A 125 133.072 1.199 3.687 1.00 0.00 C ATOM 1521 C SER A 125 132.564 2.206 4.721 1.00 0.00 C ATOM 1522 O SER A 125 132.512 3.396 4.469 1.00 0.00 O ATOM 1523 CB SER A 125 134.593 1.267 3.575 1.00 0.00 C ATOM 1524 OG SER A 125 135.015 0.505 2.452 1.00 0.00 O ATOM 0 H SER A 125 132.836 2.470 1.987 1.00 0.00 H new ATOM 0 HA SER A 125 132.733 0.215 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 125 134.915 2.303 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.054 0.882 4.485 1.00 0.00 H new ATOM 0 HG SER A 125 135.991 0.548 2.376 1.00 0.00 H new ATOM 1530 N LEU A 126 132.192 1.734 5.883 1.00 0.00 N ATOM 1531 CA LEU A 126 131.685 2.654 6.945 1.00 0.00 C ATOM 1532 C LEU A 126 132.855 3.411 7.583 1.00 0.00 C ATOM 1533 O LEU A 126 133.895 2.843 7.857 1.00 0.00 O ATOM 1534 CB LEU A 126 131.000 1.739 7.965 1.00 0.00 C ATOM 1535 CG LEU A 126 130.386 2.573 9.094 1.00 0.00 C ATOM 1536 CD1 LEU A 126 129.324 3.521 8.527 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.732 1.634 10.110 1.00 0.00 C ATOM 0 H LEU A 126 132.218 0.748 6.143 1.00 0.00 H new ATOM 0 HA LEU A 126 130.999 3.407 6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.225 1.151 7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.723 1.034 8.375 1.00 0.00 H new ATOM 0 HG LEU A 126 131.168 3.159 9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 126 128.893 4.110 9.336 1.00 0.00 H new ATOM 0 HD12 LEU A 126 129.784 4.188 7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 126 128.539 2.940 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 126 129.293 2.220 10.917 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.953 1.052 9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 126 130.484 0.960 10.519 1.00 0.00 H new ATOM 1549 N LEU A 127 132.692 4.690 7.812 1.00 0.00 N ATOM 1550 CA LEU A 127 133.797 5.494 8.423 1.00 0.00 C ATOM 1551 C LEU A 127 134.168 4.939 9.802 1.00 0.00 C ATOM 1552 O LEU A 127 135.328 4.726 10.100 1.00 0.00 O ATOM 1553 CB LEU A 127 133.241 6.915 8.551 1.00 0.00 C ATOM 1554 CG LEU A 127 134.391 7.926 8.470 1.00 0.00 C ATOM 1555 CD1 LEU A 127 134.488 8.481 7.048 1.00 0.00 C ATOM 1556 CD2 LEU A 127 134.132 9.077 9.446 1.00 0.00 C ATOM 0 H LEU A 127 131.842 5.213 7.603 1.00 0.00 H new ATOM 0 HA LEU A 127 134.702 5.464 7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.518 7.107 7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 127 132.712 7.026 9.498 1.00 0.00 H new ATOM 0 HG LEU A 127 135.325 7.429 8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 127 135.306 9.199 6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 127 134.675 7.664 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 127 133.553 8.975 6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 127 134.950 9.795 9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 127 133.196 9.571 9.185 1.00 0.00 H new ATOM 0 HD23 LEU A 127 134.065 8.685 10.461 1.00 0.00 H new ATOM 1568 N SER A 128 133.191 4.703 10.641 1.00 0.00 N ATOM 1569 CA SER A 128 133.483 4.159 12.003 1.00 0.00 C ATOM 1570 C SER A 128 132.827 2.779 12.170 1.00 0.00 C ATOM 1571 O SER A 128 131.715 2.580 11.726 1.00 0.00 O ATOM 1572 CB SER A 128 132.866 5.167 12.971 1.00 0.00 C ATOM 1573 OG SER A 128 131.448 5.087 12.893 1.00 0.00 O ATOM 0 H SER A 128 132.204 4.863 10.442 1.00 0.00 H new ATOM 0 HA SER A 128 134.551 4.028 12.178 1.00 0.00 H new ATOM 0 HB2 SER A 128 133.198 4.961 13.989 1.00 0.00 H new ATOM 0 HB3 SER A 128 133.199 6.175 12.725 1.00 0.00 H new ATOM 0 HG SER A 128 131.049 5.731 13.514 1.00 0.00 H new ATOM 1579 N PRO A 129 133.529 1.859 12.800 1.00 0.00 N ATOM 1580 CA PRO A 129 132.971 0.500 12.997 1.00 0.00 C ATOM 1581 C PRO A 129 131.913 0.502 14.105 1.00 0.00 C ATOM 1582 O PRO A 129 132.162 0.939 15.213 1.00 0.00 O ATOM 1583 CB PRO A 129 134.180 -0.334 13.406 1.00 0.00 C ATOM 1584 CG PRO A 129 135.145 0.639 14.004 1.00 0.00 C ATOM 1585 CD PRO A 129 134.876 1.984 13.379 1.00 0.00 C ATOM 0 HA PRO A 129 132.474 0.115 12.106 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.902 -1.104 14.125 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.616 -0.843 12.546 1.00 0.00 H new ATOM 0 HG2 PRO A 129 135.021 0.687 15.086 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.172 0.326 13.815 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.917 2.782 14.121 1.00 0.00 H new ATOM 0 HD3 PRO A 129 135.616 2.222 12.615 1.00 0.00 H new ATOM 1593 N ARG A 130 130.738 0.007 13.811 1.00 0.00 N ATOM 1594 CA ARG A 130 129.653 -0.037 14.837 1.00 0.00 C ATOM 1595 C ARG A 130 129.053 -1.451 14.893 1.00 0.00 C ATOM 1596 O ARG A 130 129.251 -2.231 13.983 1.00 0.00 O ATOM 1597 CB ARG A 130 128.609 0.977 14.364 1.00 0.00 C ATOM 1598 CG ARG A 130 129.238 2.372 14.310 1.00 0.00 C ATOM 1599 CD ARG A 130 128.184 3.422 14.667 1.00 0.00 C ATOM 1600 NE ARG A 130 128.958 4.576 15.220 1.00 0.00 N ATOM 1601 CZ ARG A 130 129.303 4.625 16.490 1.00 0.00 C ATOM 1602 NH1 ARG A 130 129.161 3.586 17.280 1.00 0.00 N ATOM 1603 NH2 ARG A 130 129.801 5.730 16.975 1.00 0.00 N ATOM 0 H ARG A 130 130.482 -0.371 12.899 1.00 0.00 H new ATOM 0 HA ARG A 130 130.014 0.201 15.838 1.00 0.00 H new ATOM 0 HB2 ARG A 130 128.235 0.697 13.379 1.00 0.00 H new ATOM 0 HB3 ARG A 130 127.755 0.978 15.041 1.00 0.00 H new ATOM 0 HG2 ARG A 130 130.076 2.432 15.005 1.00 0.00 H new ATOM 0 HG3 ARG A 130 129.636 2.565 13.314 1.00 0.00 H new ATOM 0 HD2 ARG A 130 127.608 3.717 13.790 1.00 0.00 H new ATOM 0 HD3 ARG A 130 127.474 3.036 15.399 1.00 0.00 H new ATOM 0 HE ARG A 130 129.224 5.341 14.600 1.00 0.00 H new ATOM 0 HH11 ARG A 130 128.776 2.715 16.913 1.00 0.00 H new ATOM 0 HH12 ARG A 130 129.436 3.649 18.260 1.00 0.00 H new ATOM 0 HH21 ARG A 130 129.919 6.544 16.372 1.00 0.00 H new ATOM 0 HH22 ARG A 130 130.072 5.779 17.957 1.00 0.00 H new ATOM 1617 N PRO A 131 128.342 -1.749 15.958 1.00 0.00 N ATOM 1618 CA PRO A 131 127.730 -3.095 16.096 1.00 0.00 C ATOM 1619 C PRO A 131 126.588 -3.277 15.092 1.00 0.00 C ATOM 1620 O PRO A 131 125.925 -2.330 14.714 1.00 0.00 O ATOM 1621 CB PRO A 131 127.208 -3.110 17.531 1.00 0.00 C ATOM 1622 CG PRO A 131 127.002 -1.672 17.880 1.00 0.00 C ATOM 1623 CD PRO A 131 128.035 -0.889 17.116 1.00 0.00 C ATOM 0 HA PRO A 131 128.433 -3.904 15.897 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.277 -3.672 17.607 1.00 0.00 H new ATOM 0 HB3 PRO A 131 127.922 -3.582 18.206 1.00 0.00 H new ATOM 0 HG2 PRO A 131 125.996 -1.349 17.612 1.00 0.00 H new ATOM 0 HG3 PRO A 131 127.113 -1.515 18.953 1.00 0.00 H new ATOM 0 HD2 PRO A 131 127.650 0.082 16.803 1.00 0.00 H new ATOM 0 HD3 PRO A 131 128.922 -0.700 17.721 1.00 0.00 H new ATOM 1631 N VAL A 132 126.356 -4.493 14.662 1.00 0.00 N ATOM 1632 CA VAL A 132 125.255 -4.755 13.680 1.00 0.00 C ATOM 1633 C VAL A 132 123.911 -4.322 14.283 1.00 0.00 C ATOM 1634 O VAL A 132 123.026 -3.870 13.582 1.00 0.00 O ATOM 1635 CB VAL A 132 125.291 -6.274 13.433 1.00 0.00 C ATOM 1636 CG1 VAL A 132 124.103 -6.710 12.558 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.600 -6.638 12.724 1.00 0.00 C ATOM 0 H VAL A 132 126.882 -5.318 14.949 1.00 0.00 H new ATOM 0 HA VAL A 132 125.378 -4.200 12.750 1.00 0.00 H new ATOM 0 HB VAL A 132 125.226 -6.787 14.392 1.00 0.00 H new ATOM 0 HG11 VAL A 132 124.147 -7.787 12.395 1.00 0.00 H new ATOM 0 HG12 VAL A 132 123.169 -6.457 13.060 1.00 0.00 H new ATOM 0 HG13 VAL A 132 124.150 -6.196 11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.631 -7.713 12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.657 -6.111 11.771 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.445 -6.349 13.349 1.00 0.00 H new ATOM 1647 N SER A 133 123.758 -4.463 15.575 1.00 0.00 N ATOM 1648 CA SER A 133 122.473 -4.067 16.232 1.00 0.00 C ATOM 1649 C SER A 133 122.186 -2.580 15.995 1.00 0.00 C ATOM 1650 O SER A 133 121.058 -2.193 15.754 1.00 0.00 O ATOM 1651 CB SER A 133 122.682 -4.339 17.722 1.00 0.00 C ATOM 1652 OG SER A 133 121.462 -4.119 18.416 1.00 0.00 O ATOM 0 H SER A 133 124.468 -4.836 16.205 1.00 0.00 H new ATOM 0 HA SER A 133 121.624 -4.621 15.832 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.019 -5.365 17.872 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.461 -3.686 18.117 1.00 0.00 H new ATOM 0 HG SER A 133 121.593 -4.294 19.371 1.00 0.00 H new ATOM 1658 N TYR A 134 123.197 -1.749 16.058 1.00 0.00 N ATOM 1659 CA TYR A 134 122.982 -0.285 15.831 1.00 0.00 C ATOM 1660 C TYR A 134 122.445 -0.054 14.415 1.00 0.00 C ATOM 1661 O TYR A 134 121.572 0.763 14.196 1.00 0.00 O ATOM 1662 CB TYR A 134 124.366 0.354 15.998 1.00 0.00 C ATOM 1663 CG TYR A 134 124.270 1.847 15.788 1.00 0.00 C ATOM 1664 CD1 TYR A 134 124.012 2.695 16.871 1.00 0.00 C ATOM 1665 CD2 TYR A 134 124.442 2.379 14.507 1.00 0.00 C ATOM 1666 CE1 TYR A 134 123.925 4.078 16.671 1.00 0.00 C ATOM 1667 CE2 TYR A 134 124.356 3.761 14.305 1.00 0.00 C ATOM 1668 CZ TYR A 134 124.097 4.611 15.387 1.00 0.00 C ATOM 1669 OH TYR A 134 124.011 5.975 15.189 1.00 0.00 O ATOM 0 H TYR A 134 124.160 -2.020 16.256 1.00 0.00 H new ATOM 0 HA TYR A 134 122.257 0.143 16.523 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.757 0.142 16.993 1.00 0.00 H new ATOM 0 HB3 TYR A 134 125.065 -0.079 15.282 1.00 0.00 H new ATOM 0 HD1 TYR A 134 123.880 2.283 17.860 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.641 1.723 13.673 1.00 0.00 H new ATOM 0 HE1 TYR A 134 123.725 4.733 17.506 1.00 0.00 H new ATOM 0 HE2 TYR A 134 124.489 4.172 13.315 1.00 0.00 H new ATOM 0 HH TYR A 134 124.156 6.178 14.241 1.00 0.00 H new ATOM 1679 N LEU A 135 122.973 -0.769 13.459 1.00 0.00 N ATOM 1680 CA LEU A 135 122.516 -0.608 12.049 1.00 0.00 C ATOM 1681 C LEU A 135 121.350 -1.556 11.729 1.00 0.00 C ATOM 1682 O LEU A 135 120.729 -1.445 10.689 1.00 0.00 O ATOM 1683 CB LEU A 135 123.743 -0.967 11.209 1.00 0.00 C ATOM 1684 CG LEU A 135 123.436 -0.769 9.721 1.00 0.00 C ATOM 1685 CD1 LEU A 135 123.103 0.706 9.441 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.659 -1.185 8.898 1.00 0.00 C ATOM 0 H LEU A 135 123.707 -1.463 13.596 1.00 0.00 H new ATOM 0 HA LEU A 135 122.149 0.399 11.851 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.588 -0.344 11.500 1.00 0.00 H new ATOM 0 HB3 LEU A 135 124.031 -2.002 11.395 1.00 0.00 H new ATOM 0 HG LEU A 135 122.578 -1.382 9.445 1.00 0.00 H new ATOM 0 HD11 LEU A 135 122.887 0.835 8.381 1.00 0.00 H new ATOM 0 HD12 LEU A 135 122.233 1.000 10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 135 123.954 1.330 9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.448 -1.047 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.514 -0.571 9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 135 124.887 -2.234 9.089 1.00 0.00 H new ATOM 1698 N LYS A 136 121.053 -2.489 12.604 1.00 0.00 N ATOM 1699 CA LYS A 136 119.933 -3.443 12.329 1.00 0.00 C ATOM 1700 C LYS A 136 118.599 -2.699 12.249 1.00 0.00 C ATOM 1701 O LYS A 136 118.314 -1.823 13.043 1.00 0.00 O ATOM 1702 CB LYS A 136 119.938 -4.429 13.499 1.00 0.00 C ATOM 1703 CG LYS A 136 119.702 -5.846 12.968 1.00 0.00 C ATOM 1704 CD LYS A 136 120.054 -6.866 14.053 1.00 0.00 C ATOM 1705 CE LYS A 136 119.943 -8.281 13.482 1.00 0.00 C ATOM 1706 NZ LYS A 136 118.496 -8.622 13.578 1.00 0.00 N ATOM 0 H LYS A 136 121.535 -2.630 13.492 1.00 0.00 H new ATOM 0 HA LYS A 136 120.061 -3.954 11.375 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.890 -4.380 14.027 1.00 0.00 H new ATOM 0 HB3 LYS A 136 119.162 -4.163 14.217 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.661 -5.964 12.668 1.00 0.00 H new ATOM 0 HG3 LYS A 136 120.311 -6.019 12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 136 121.065 -6.689 14.419 1.00 0.00 H new ATOM 0 HD3 LYS A 136 119.383 -6.753 14.904 1.00 0.00 H new ATOM 0 HE2 LYS A 136 120.290 -8.318 12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 136 120.553 -8.984 14.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 118.349 -9.604 13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 118.180 -8.519 14.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 117.947 -7.982 12.969 1.00 0.00 H new ATOM 1720 N GLY A 137 117.783 -3.050 11.288 1.00 0.00 N ATOM 1721 CA GLY A 137 116.459 -2.377 11.134 1.00 0.00 C ATOM 1722 C GLY A 137 116.600 -1.141 10.240 1.00 0.00 C ATOM 1723 O GLY A 137 115.794 -0.231 10.304 1.00 0.00 O ATOM 0 H GLY A 137 117.978 -3.778 10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 137 115.738 -3.070 10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 137 116.073 -2.087 12.111 1.00 0.00 H new ATOM 1727 N SER A 138 117.612 -1.099 9.405 1.00 0.00 N ATOM 1728 CA SER A 138 117.795 0.080 8.506 1.00 0.00 C ATOM 1729 C SER A 138 117.772 -0.336 7.028 1.00 0.00 C ATOM 1730 O SER A 138 118.017 0.473 6.153 1.00 0.00 O ATOM 1731 CB SER A 138 119.159 0.657 8.876 1.00 0.00 C ATOM 1732 OG SER A 138 119.135 1.094 10.229 1.00 0.00 O ATOM 0 H SER A 138 118.317 -1.830 9.309 1.00 0.00 H new ATOM 0 HA SER A 138 116.991 0.805 8.632 1.00 0.00 H new ATOM 0 HB2 SER A 138 119.934 -0.097 8.739 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.405 1.490 8.217 1.00 0.00 H new ATOM 0 HG SER A 138 119.629 0.458 10.787 1.00 0.00 H new ATOM 1738 N SER A 139 117.478 -1.585 6.733 1.00 0.00 N ATOM 1739 CA SER A 139 117.439 -2.031 5.302 1.00 0.00 C ATOM 1740 C SER A 139 116.418 -1.203 4.522 1.00 0.00 C ATOM 1741 O SER A 139 115.400 -0.802 5.054 1.00 0.00 O ATOM 1742 CB SER A 139 116.999 -3.492 5.341 1.00 0.00 C ATOM 1743 OG SER A 139 117.930 -4.248 6.098 1.00 0.00 O ATOM 0 H SER A 139 117.265 -2.309 7.419 1.00 0.00 H new ATOM 0 HA SER A 139 118.406 -1.908 4.814 1.00 0.00 H new ATOM 0 HB2 SER A 139 116.006 -3.572 5.783 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.930 -3.889 4.328 1.00 0.00 H new ATOM 0 HG SER A 139 117.646 -5.186 6.124 1.00 0.00 H new ATOM 1749 N GLY A 140 116.683 -0.943 3.269 1.00 0.00 N ATOM 1750 CA GLY A 140 115.730 -0.139 2.452 1.00 0.00 C ATOM 1751 C GLY A 140 116.173 1.329 2.434 1.00 0.00 C ATOM 1752 O GLY A 140 115.847 2.068 1.525 1.00 0.00 O ATOM 0 H GLY A 140 117.520 -1.254 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.690 -0.529 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.724 -0.220 2.865 1.00 0.00 H new ATOM 1756 N GLY A 141 116.915 1.755 3.431 1.00 0.00 N ATOM 1757 CA GLY A 141 117.383 3.173 3.473 1.00 0.00 C ATOM 1758 C GLY A 141 118.241 3.465 2.230 1.00 0.00 C ATOM 1759 O GLY A 141 119.325 2.928 2.104 1.00 0.00 O ATOM 0 H GLY A 141 117.215 1.178 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 141 116.528 3.849 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 141 117.963 3.349 4.379 1.00 0.00 H new ATOM 1763 N PRO A 142 117.740 4.297 1.338 1.00 0.00 N ATOM 1764 CA PRO A 142 118.506 4.618 0.108 1.00 0.00 C ATOM 1765 C PRO A 142 119.688 5.538 0.427 1.00 0.00 C ATOM 1766 O PRO A 142 119.633 6.346 1.336 1.00 0.00 O ATOM 1767 CB PRO A 142 117.490 5.336 -0.776 1.00 0.00 C ATOM 1768 CG PRO A 142 116.485 5.908 0.171 1.00 0.00 C ATOM 1769 CD PRO A 142 116.448 5.006 1.376 1.00 0.00 C ATOM 0 HA PRO A 142 118.930 3.733 -0.366 1.00 0.00 H new ATOM 0 HB2 PRO A 142 117.965 6.119 -1.367 1.00 0.00 H new ATOM 0 HB3 PRO A 142 117.022 4.647 -1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 142 116.760 6.923 0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.503 5.965 -0.298 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.334 5.577 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.610 4.310 1.327 1.00 0.00 H new ATOM 1777 N LEU A 143 120.750 5.424 -0.327 1.00 0.00 N ATOM 1778 CA LEU A 143 121.941 6.292 -0.096 1.00 0.00 C ATOM 1779 C LEU A 143 121.945 7.424 -1.124 1.00 0.00 C ATOM 1780 O LEU A 143 121.842 7.186 -2.313 1.00 0.00 O ATOM 1781 CB LEU A 143 123.150 5.376 -0.301 1.00 0.00 C ATOM 1782 CG LEU A 143 123.335 4.487 0.930 1.00 0.00 C ATOM 1783 CD1 LEU A 143 122.412 3.272 0.826 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.789 4.018 1.004 1.00 0.00 C ATOM 0 H LEU A 143 120.843 4.762 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 143 121.947 6.746 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 143 123.006 4.760 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 143 124.047 5.973 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 143 123.089 5.053 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 143 122.544 2.639 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 143 121.376 3.606 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 143 122.657 2.704 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 143 124.923 3.384 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 143 125.035 3.451 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 143 125.447 4.884 1.078 1.00 0.00 H new ATOM 1796 N LEU A 144 122.050 8.651 -0.679 1.00 0.00 N ATOM 1797 CA LEU A 144 122.047 9.797 -1.637 1.00 0.00 C ATOM 1798 C LEU A 144 123.361 10.578 -1.560 1.00 0.00 C ATOM 1799 O LEU A 144 123.733 11.083 -0.518 1.00 0.00 O ATOM 1800 CB LEU A 144 120.881 10.681 -1.191 1.00 0.00 C ATOM 1801 CG LEU A 144 119.582 10.175 -1.819 1.00 0.00 C ATOM 1802 CD1 LEU A 144 118.939 9.138 -0.897 1.00 0.00 C ATOM 1803 CD2 LEU A 144 118.621 11.349 -2.013 1.00 0.00 C ATOM 0 H LEU A 144 122.137 8.908 0.304 1.00 0.00 H new ATOM 0 HA LEU A 144 121.944 9.460 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 144 120.799 10.671 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 144 121.061 11.714 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 144 119.799 9.717 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 144 118.013 8.777 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 144 119.624 8.302 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 144 118.721 9.595 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 144 117.694 10.990 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 144 118.405 11.805 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 144 119.078 12.089 -2.670 1.00 0.00 H new ATOM 1815 N CYS A 145 124.053 10.693 -2.665 1.00 0.00 N ATOM 1816 CA CYS A 145 125.337 11.459 -2.672 1.00 0.00 C ATOM 1817 C CYS A 145 125.037 12.954 -2.461 1.00 0.00 C ATOM 1818 O CYS A 145 123.906 13.372 -2.613 1.00 0.00 O ATOM 1819 CB CYS A 145 125.968 11.193 -4.052 1.00 0.00 C ATOM 1820 SG CYS A 145 124.869 11.761 -5.377 1.00 0.00 S ATOM 0 H CYS A 145 123.785 10.290 -3.563 1.00 0.00 H new ATOM 0 HA CYS A 145 126.017 11.157 -1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 145 126.928 11.705 -4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 145 126.166 10.127 -4.168 1.00 0.00 H new ATOM 0 HG CYS A 145 123.719 11.163 -5.273 1.00 0.00 H new ATOM 1825 N PRO A 146 126.044 13.719 -2.098 1.00 0.00 N ATOM 1826 CA PRO A 146 125.833 15.171 -1.851 1.00 0.00 C ATOM 1827 C PRO A 146 125.413 15.900 -3.134 1.00 0.00 C ATOM 1828 O PRO A 146 124.833 16.968 -3.079 1.00 0.00 O ATOM 1829 CB PRO A 146 127.194 15.653 -1.352 1.00 0.00 C ATOM 1830 CG PRO A 146 128.168 14.661 -1.892 1.00 0.00 C ATOM 1831 CD PRO A 146 127.451 13.337 -1.892 1.00 0.00 C ATOM 0 HA PRO A 146 125.032 15.366 -1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 146 127.414 16.659 -1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 146 127.227 15.688 -0.263 1.00 0.00 H new ATOM 0 HG2 PRO A 146 128.485 14.933 -2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 146 129.066 14.619 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 146 127.812 12.683 -2.686 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.590 12.803 -0.952 1.00 0.00 H new ATOM 1839 N SER A 147 125.692 15.334 -4.283 1.00 0.00 N ATOM 1840 CA SER A 147 125.294 16.005 -5.560 1.00 0.00 C ATOM 1841 C SER A 147 123.768 16.126 -5.635 1.00 0.00 C ATOM 1842 O SER A 147 123.238 17.130 -6.072 1.00 0.00 O ATOM 1843 CB SER A 147 125.817 15.103 -6.678 1.00 0.00 C ATOM 1844 OG SER A 147 127.238 15.145 -6.688 1.00 0.00 O ATOM 0 H SER A 147 126.175 14.442 -4.392 1.00 0.00 H new ATOM 0 HA SER A 147 125.701 17.013 -5.637 1.00 0.00 H new ATOM 0 HB2 SER A 147 125.473 14.080 -6.527 1.00 0.00 H new ATOM 0 HB3 SER A 147 125.425 15.432 -7.640 1.00 0.00 H new ATOM 0 HG SER A 147 127.585 14.361 -7.162 1.00 0.00 H new ATOM 1850 N GLY A 148 123.061 15.108 -5.209 1.00 0.00 N ATOM 1851 CA GLY A 148 121.568 15.155 -5.250 1.00 0.00 C ATOM 1852 C GLY A 148 121.043 14.040 -6.156 1.00 0.00 C ATOM 1853 O GLY A 148 120.110 14.233 -6.911 1.00 0.00 O ATOM 0 H GLY A 148 123.455 14.245 -4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 148 121.163 15.041 -4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 148 121.235 16.125 -5.620 1.00 0.00 H new ATOM 1857 N HIS A 149 121.639 12.877 -6.086 1.00 0.00 N ATOM 1858 CA HIS A 149 121.184 11.741 -6.946 1.00 0.00 C ATOM 1859 C HIS A 149 121.051 10.462 -6.113 1.00 0.00 C ATOM 1860 O HIS A 149 121.717 10.295 -5.110 1.00 0.00 O ATOM 1861 CB HIS A 149 122.280 11.576 -8.003 1.00 0.00 C ATOM 1862 CG HIS A 149 122.419 12.847 -8.800 1.00 0.00 C ATOM 1863 ND1 HIS A 149 123.647 13.310 -9.242 1.00 0.00 N ATOM 1864 CD2 HIS A 149 121.494 13.762 -9.237 1.00 0.00 C ATOM 1865 CE1 HIS A 149 123.431 14.456 -9.913 1.00 0.00 C ATOM 1866 NE2 HIS A 149 122.136 14.778 -9.940 1.00 0.00 N ATOM 0 H HIS A 149 122.423 12.664 -5.469 1.00 0.00 H new ATOM 0 HA HIS A 149 120.209 11.932 -7.394 1.00 0.00 H new ATOM 0 HB2 HIS A 149 123.227 11.333 -7.522 1.00 0.00 H new ATOM 0 HB3 HIS A 149 122.036 10.746 -8.666 1.00 0.00 H new ATOM 0 HD2 HIS A 149 120.430 13.703 -9.062 1.00 0.00 H new ATOM 0 HE1 HIS A 149 124.211 15.044 -10.374 1.00 0.00 H new ATOM 0 HE2 HIS A 149 121.709 15.593 -10.381 1.00 0.00 H new ATOM 1874 N ALA A 150 120.198 9.558 -6.528 1.00 0.00 N ATOM 1875 CA ALA A 150 120.020 8.283 -5.767 1.00 0.00 C ATOM 1876 C ALA A 150 121.169 7.319 -6.081 1.00 0.00 C ATOM 1877 O ALA A 150 121.538 7.135 -7.226 1.00 0.00 O ATOM 1878 CB ALA A 150 118.686 7.710 -6.253 1.00 0.00 C ATOM 0 H ALA A 150 119.617 9.648 -7.361 1.00 0.00 H new ATOM 0 HA ALA A 150 120.023 8.441 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 150 118.485 6.770 -5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 150 117.886 8.419 -6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.736 7.532 -7.327 1.00 0.00 H new ATOM 1884 N VAL A 151 121.738 6.709 -5.072 1.00 0.00 N ATOM 1885 CA VAL A 151 122.869 5.759 -5.304 1.00 0.00 C ATOM 1886 C VAL A 151 122.365 4.311 -5.271 1.00 0.00 C ATOM 1887 O VAL A 151 122.493 3.582 -6.237 1.00 0.00 O ATOM 1888 CB VAL A 151 123.854 6.016 -4.156 1.00 0.00 C ATOM 1889 CG1 VAL A 151 125.067 5.092 -4.299 1.00 0.00 C ATOM 1890 CG2 VAL A 151 124.329 7.472 -4.198 1.00 0.00 C ATOM 0 H VAL A 151 121.468 6.828 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 151 123.336 5.908 -6.278 1.00 0.00 H new ATOM 0 HB VAL A 151 123.352 5.820 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.764 5.278 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.739 4.053 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 151 125.563 5.287 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 151 125.028 7.650 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 151 124.825 7.666 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 151 123.472 8.137 -4.094 1.00 0.00 H new ATOM 1900 N GLY A 152 121.797 3.889 -4.167 1.00 0.00 N ATOM 1901 CA GLY A 152 121.290 2.485 -4.073 1.00 0.00 C ATOM 1902 C GLY A 152 120.593 2.266 -2.728 1.00 0.00 C ATOM 1903 O GLY A 152 120.241 3.205 -2.043 1.00 0.00 O ATOM 0 H GLY A 152 121.663 4.455 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 152 120.595 2.286 -4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 152 122.117 1.783 -4.181 1.00 0.00 H new ATOM 1907 N ILE A 153 120.390 1.028 -2.353 1.00 0.00 N ATOM 1908 CA ILE A 153 119.712 0.728 -1.054 1.00 0.00 C ATOM 1909 C ILE A 153 120.551 -0.263 -0.236 1.00 0.00 C ATOM 1910 O ILE A 153 121.113 -1.200 -0.772 1.00 0.00 O ATOM 1911 CB ILE A 153 118.365 0.107 -1.443 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.550 1.118 -2.253 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.583 -0.269 -0.182 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.324 0.424 -2.850 1.00 0.00 C ATOM 0 H ILE A 153 120.666 0.208 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 153 119.585 1.618 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 153 118.545 -0.787 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 153 117.238 1.945 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 153 118.164 1.543 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.627 -0.710 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 153 118.157 -0.990 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.408 0.624 0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.743 1.144 -3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 153 116.647 -0.388 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 153 115.707 0.021 -2.047 1.00 0.00 H new ATOM 1926 N PHE A 154 120.634 -0.062 1.055 1.00 0.00 N ATOM 1927 CA PHE A 154 121.433 -0.992 1.915 1.00 0.00 C ATOM 1928 C PHE A 154 120.847 -2.404 1.845 1.00 0.00 C ATOM 1929 O PHE A 154 119.658 -2.598 2.015 1.00 0.00 O ATOM 1930 CB PHE A 154 121.314 -0.436 3.339 1.00 0.00 C ATOM 1931 CG PHE A 154 122.292 -1.144 4.253 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.637 -1.278 3.881 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.851 -1.664 5.477 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.537 -1.930 4.732 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.754 -2.315 6.327 1.00 0.00 C ATOM 1936 CZ PHE A 154 124.096 -2.448 5.955 1.00 0.00 C ATOM 0 H PHE A 154 120.183 0.706 1.552 1.00 0.00 H new ATOM 0 HA PHE A 154 122.472 -1.056 1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.514 0.635 3.338 1.00 0.00 H new ATOM 0 HB3 PHE A 154 120.297 -0.570 3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.979 -0.878 2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.815 -1.563 5.765 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.573 -2.033 4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 154 122.414 -2.715 7.271 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.791 -2.950 6.611 1.00 0.00 H new ATOM 1946 N ARG A 155 121.675 -3.388 1.596 1.00 0.00 N ATOM 1947 CA ARG A 155 121.170 -4.791 1.513 1.00 0.00 C ATOM 1948 C ARG A 155 121.606 -5.595 2.741 1.00 0.00 C ATOM 1949 O ARG A 155 120.788 -6.054 3.516 1.00 0.00 O ATOM 1950 CB ARG A 155 121.804 -5.375 0.250 1.00 0.00 C ATOM 1951 CG ARG A 155 121.191 -6.752 -0.041 1.00 0.00 C ATOM 1952 CD ARG A 155 122.289 -7.726 -0.486 1.00 0.00 C ATOM 1953 NE ARG A 155 122.324 -7.632 -1.980 1.00 0.00 N ATOM 1954 CZ ARG A 155 123.102 -8.420 -2.695 1.00 0.00 C ATOM 1955 NH1 ARG A 155 124.017 -9.176 -2.133 1.00 0.00 N ATOM 1956 NH2 ARG A 155 122.963 -8.447 -3.993 1.00 0.00 N ATOM 0 H ARG A 155 122.678 -3.279 1.447 1.00 0.00 H new ATOM 0 HA ARG A 155 120.081 -4.825 1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.640 -4.706 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 155 122.882 -5.465 0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 155 120.693 -7.134 0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 155 120.432 -6.665 -0.818 1.00 0.00 H new ATOM 0 HD2 ARG A 155 123.252 -7.456 -0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 155 122.067 -8.743 -0.162 1.00 0.00 H new ATOM 0 HE ARG A 155 121.735 -6.946 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 155 124.138 -9.162 -1.120 1.00 0.00 H new ATOM 0 HH12 ARG A 155 124.606 -9.777 -2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 155 122.258 -7.862 -4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 155 123.559 -9.053 -4.557 1.00 0.00 H new ATOM 1970 N ALA A 156 122.892 -5.782 2.912 1.00 0.00 N ATOM 1971 CA ALA A 156 123.384 -6.575 4.077 1.00 0.00 C ATOM 1972 C ALA A 156 124.597 -5.899 4.722 1.00 0.00 C ATOM 1973 O ALA A 156 125.346 -5.194 4.073 1.00 0.00 O ATOM 1974 CB ALA A 156 123.782 -7.929 3.482 1.00 0.00 C ATOM 0 H ALA A 156 123.619 -5.420 2.296 1.00 0.00 H new ATOM 0 HA ALA A 156 122.629 -6.668 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.157 -8.578 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 156 122.912 -8.391 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 156 124.561 -7.783 2.733 1.00 0.00 H new ATOM 1980 N ALA A 157 124.796 -6.124 5.996 1.00 0.00 N ATOM 1981 CA ALA A 157 125.964 -5.512 6.700 1.00 0.00 C ATOM 1982 C ALA A 157 127.133 -6.502 6.714 1.00 0.00 C ATOM 1983 O ALA A 157 126.938 -7.696 6.611 1.00 0.00 O ATOM 1984 CB ALA A 157 125.474 -5.240 8.122 1.00 0.00 C ATOM 0 H ALA A 157 124.198 -6.707 6.581 1.00 0.00 H new ATOM 0 HA ALA A 157 126.315 -4.602 6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 157 126.278 -4.789 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.623 -4.559 8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 157 125.171 -6.178 8.588 1.00 0.00 H new ATOM 1990 N VAL A 158 128.344 -6.012 6.824 1.00 0.00 N ATOM 1991 CA VAL A 158 129.526 -6.932 6.831 1.00 0.00 C ATOM 1992 C VAL A 158 130.327 -6.768 8.128 1.00 0.00 C ATOM 1993 O VAL A 158 130.941 -5.743 8.360 1.00 0.00 O ATOM 1994 CB VAL A 158 130.374 -6.503 5.627 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.583 -7.431 5.495 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.537 -6.584 4.345 1.00 0.00 C ATOM 0 H VAL A 158 128.565 -5.020 6.909 1.00 0.00 H new ATOM 0 HA VAL A 158 129.227 -7.978 6.772 1.00 0.00 H new ATOM 0 HB VAL A 158 130.711 -5.477 5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 158 132.185 -7.125 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 158 132.186 -7.374 6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 158 131.241 -8.456 5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 158 130.145 -6.278 3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 158 129.196 -7.609 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.675 -5.923 4.431 1.00 0.00 H new ATOM 2006 N CYS A 159 130.333 -7.775 8.968 1.00 0.00 N ATOM 2007 CA CYS A 159 131.105 -7.686 10.247 1.00 0.00 C ATOM 2008 C CYS A 159 131.766 -9.032 10.568 1.00 0.00 C ATOM 2009 O CYS A 159 131.192 -10.082 10.345 1.00 0.00 O ATOM 2010 CB CYS A 159 130.074 -7.308 11.321 1.00 0.00 C ATOM 2011 SG CYS A 159 128.781 -8.574 11.430 1.00 0.00 S ATOM 0 H CYS A 159 129.837 -8.654 8.823 1.00 0.00 H new ATOM 0 HA CYS A 159 131.908 -6.952 10.190 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.568 -7.200 12.286 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.627 -6.343 11.082 1.00 0.00 H new ATOM 0 HG CYS A 159 129.242 -9.704 10.982 1.00 0.00 H new ATOM 2017 N THR A 160 132.962 -9.006 11.098 1.00 0.00 N ATOM 2018 CA THR A 160 133.661 -10.282 11.445 1.00 0.00 C ATOM 2019 C THR A 160 133.140 -10.822 12.781 1.00 0.00 C ATOM 2020 O THR A 160 132.929 -12.009 12.942 1.00 0.00 O ATOM 2021 CB THR A 160 135.141 -9.912 11.556 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.539 -9.206 10.391 1.00 0.00 O ATOM 2023 CG2 THR A 160 135.977 -11.186 11.695 1.00 0.00 C ATOM 0 H THR A 160 133.486 -8.156 11.306 1.00 0.00 H new ATOM 0 HA THR A 160 133.493 -11.059 10.699 1.00 0.00 H new ATOM 0 HB THR A 160 135.295 -9.282 12.432 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.487 -8.967 10.461 1.00 0.00 H new ATOM 0 HG21 THR A 160 137.032 -10.922 11.774 1.00 0.00 H new ATOM 0 HG22 THR A 160 135.670 -11.727 12.590 1.00 0.00 H new ATOM 0 HG23 THR A 160 135.826 -11.818 10.820 1.00 0.00 H new ATOM 2031 N ARG A 161 132.936 -9.953 13.741 1.00 0.00 N ATOM 2032 CA ARG A 161 132.434 -10.403 15.076 1.00 0.00 C ATOM 2033 C ARG A 161 131.331 -9.463 15.580 1.00 0.00 C ATOM 2034 O ARG A 161 131.338 -9.042 16.721 1.00 0.00 O ATOM 2035 CB ARG A 161 133.655 -10.353 16.002 1.00 0.00 C ATOM 2036 CG ARG A 161 134.232 -8.934 16.034 1.00 0.00 C ATOM 2037 CD ARG A 161 135.404 -8.884 17.016 1.00 0.00 C ATOM 2038 NE ARG A 161 136.174 -7.654 16.646 1.00 0.00 N ATOM 2039 CZ ARG A 161 137.105 -7.163 17.440 1.00 0.00 C ATOM 2040 NH1 ARG A 161 137.264 -7.602 18.666 1.00 0.00 N ATOM 2041 NH2 ARG A 161 137.884 -6.215 16.996 1.00 0.00 N ATOM 0 H ARG A 161 133.096 -8.949 13.657 1.00 0.00 H new ATOM 0 HA ARG A 161 131.998 -11.401 15.034 1.00 0.00 H new ATOM 0 HB2 ARG A 161 133.371 -10.662 17.008 1.00 0.00 H new ATOM 0 HB3 ARG A 161 134.413 -11.055 15.655 1.00 0.00 H new ATOM 0 HG2 ARG A 161 134.565 -8.643 15.038 1.00 0.00 H new ATOM 0 HG3 ARG A 161 133.462 -8.223 16.333 1.00 0.00 H new ATOM 0 HD2 ARG A 161 135.052 -8.833 18.046 1.00 0.00 H new ATOM 0 HD3 ARG A 161 136.024 -9.776 16.934 1.00 0.00 H new ATOM 0 HE ARG A 161 135.974 -7.187 15.762 1.00 0.00 H new ATOM 0 HH11 ARG A 161 136.659 -8.341 19.026 1.00 0.00 H new ATOM 0 HH12 ARG A 161 137.992 -7.205 19.260 1.00 0.00 H new ATOM 0 HH21 ARG A 161 137.768 -5.863 16.046 1.00 0.00 H new ATOM 0 HH22 ARG A 161 138.609 -5.826 17.599 1.00 0.00 H new ATOM 2055 N GLY A 162 130.389 -9.132 14.734 1.00 0.00 N ATOM 2056 CA GLY A 162 129.283 -8.220 15.154 1.00 0.00 C ATOM 2057 C GLY A 162 129.664 -6.758 14.881 1.00 0.00 C ATOM 2058 O GLY A 162 128.830 -5.874 14.965 1.00 0.00 O ATOM 0 H GLY A 162 130.338 -9.455 13.768 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.370 -8.472 14.614 1.00 0.00 H new ATOM 0 HA3 GLY A 162 129.074 -8.356 16.215 1.00 0.00 H new ATOM 2062 N VAL A 163 130.908 -6.490 14.550 1.00 0.00 N ATOM 2063 CA VAL A 163 131.324 -5.084 14.267 1.00 0.00 C ATOM 2064 C VAL A 163 131.334 -4.852 12.755 1.00 0.00 C ATOM 2065 O VAL A 163 132.030 -5.529 12.021 1.00 0.00 O ATOM 2066 CB VAL A 163 132.736 -4.957 14.849 1.00 0.00 C ATOM 2067 CG1 VAL A 163 133.266 -3.540 14.611 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.697 -5.235 16.354 1.00 0.00 C ATOM 0 H VAL A 163 131.649 -7.186 14.465 1.00 0.00 H new ATOM 0 HA VAL A 163 130.648 -4.348 14.703 1.00 0.00 H new ATOM 0 HB VAL A 163 133.391 -5.678 14.360 1.00 0.00 H new ATOM 0 HG11 VAL A 163 134.270 -3.453 15.026 1.00 0.00 H new ATOM 0 HG12 VAL A 163 133.297 -3.338 13.540 1.00 0.00 H new ATOM 0 HG13 VAL A 163 132.609 -2.819 15.097 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.702 -5.144 16.767 1.00 0.00 H new ATOM 0 HG22 VAL A 163 132.039 -4.515 16.840 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.323 -6.244 16.528 1.00 0.00 H new ATOM 2078 N ALA A 164 130.558 -3.910 12.286 1.00 0.00 N ATOM 2079 CA ALA A 164 130.506 -3.640 10.819 1.00 0.00 C ATOM 2080 C ALA A 164 131.591 -2.642 10.413 1.00 0.00 C ATOM 2081 O ALA A 164 131.564 -1.488 10.798 1.00 0.00 O ATOM 2082 CB ALA A 164 129.118 -3.048 10.576 1.00 0.00 C ATOM 0 H ALA A 164 129.957 -3.315 12.857 1.00 0.00 H new ATOM 0 HA ALA A 164 130.678 -4.542 10.232 1.00 0.00 H new ATOM 0 HB1 ALA A 164 129.000 -2.821 9.516 1.00 0.00 H new ATOM 0 HB2 ALA A 164 128.357 -3.767 10.880 1.00 0.00 H new ATOM 0 HB3 ALA A 164 129.006 -2.133 11.158 1.00 0.00 H new ATOM 2088 N LYS A 165 132.536 -3.081 9.623 1.00 0.00 N ATOM 2089 CA LYS A 165 133.624 -2.168 9.164 1.00 0.00 C ATOM 2090 C LYS A 165 133.335 -1.720 7.730 1.00 0.00 C ATOM 2091 O LYS A 165 133.704 -0.635 7.321 1.00 0.00 O ATOM 2092 CB LYS A 165 134.901 -3.007 9.226 1.00 0.00 C ATOM 2093 CG LYS A 165 135.250 -3.295 10.687 1.00 0.00 C ATOM 2094 CD LYS A 165 136.528 -4.134 10.753 1.00 0.00 C ATOM 2095 CE LYS A 165 136.877 -4.422 12.215 1.00 0.00 C ATOM 2096 NZ LYS A 165 138.027 -5.365 12.157 1.00 0.00 N ATOM 0 H LYS A 165 132.601 -4.037 9.275 1.00 0.00 H new ATOM 0 HA LYS A 165 133.710 -1.269 9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.762 -3.942 8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.721 -2.477 8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 165 135.388 -2.360 11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 165 134.429 -3.825 11.170 1.00 0.00 H new ATOM 0 HD2 LYS A 165 136.390 -5.069 10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 165 137.349 -3.604 10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 165 137.143 -3.507 12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 165 136.031 -4.862 12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 138.324 -5.610 13.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 137.742 -6.229 11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 138.819 -4.916 11.655 1.00 0.00 H new ATOM 2110 N ALA A 166 132.665 -2.550 6.971 1.00 0.00 N ATOM 2111 CA ALA A 166 132.326 -2.191 5.565 1.00 0.00 C ATOM 2112 C ALA A 166 130.835 -2.442 5.320 1.00 0.00 C ATOM 2113 O ALA A 166 130.196 -3.179 6.049 1.00 0.00 O ATOM 2114 CB ALA A 166 133.181 -3.118 4.701 1.00 0.00 C ATOM 0 H ALA A 166 132.337 -3.468 7.270 1.00 0.00 H new ATOM 0 HA ALA A 166 132.520 -1.142 5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.988 -2.915 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 166 134.236 -2.946 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.930 -4.155 4.922 1.00 0.00 H new ATOM 2120 N VAL A 167 130.275 -1.829 4.310 1.00 0.00 N ATOM 2121 CA VAL A 167 128.819 -2.023 4.021 1.00 0.00 C ATOM 2122 C VAL A 167 128.597 -2.288 2.528 1.00 0.00 C ATOM 2123 O VAL A 167 129.241 -1.700 1.681 1.00 0.00 O ATOM 2124 CB VAL A 167 128.149 -0.711 4.445 1.00 0.00 C ATOM 2125 CG1 VAL A 167 128.369 -0.485 5.942 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.751 0.463 3.664 1.00 0.00 C ATOM 0 H VAL A 167 130.762 -1.201 3.671 1.00 0.00 H new ATOM 0 HA VAL A 167 128.407 -2.880 4.553 1.00 0.00 H new ATOM 0 HB VAL A 167 127.082 -0.774 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.892 0.448 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.934 -1.312 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 167 129.438 -0.430 6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 167 128.269 1.391 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.820 0.525 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.593 0.309 2.597 1.00 0.00 H new ATOM 2136 N ASP A 168 127.686 -3.172 2.205 1.00 0.00 N ATOM 2137 CA ASP A 168 127.409 -3.486 0.769 1.00 0.00 C ATOM 2138 C ASP A 168 125.961 -3.126 0.419 1.00 0.00 C ATOM 2139 O ASP A 168 125.040 -3.450 1.145 1.00 0.00 O ATOM 2140 CB ASP A 168 127.636 -4.994 0.644 1.00 0.00 C ATOM 2141 CG ASP A 168 127.634 -5.397 -0.834 1.00 0.00 C ATOM 2142 OD1 ASP A 168 126.950 -4.746 -1.607 1.00 0.00 O ATOM 2143 OD2 ASP A 168 128.319 -6.350 -1.166 1.00 0.00 O ATOM 0 H ASP A 168 127.120 -3.691 2.876 1.00 0.00 H new ATOM 0 HA ASP A 168 128.048 -2.921 0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 168 128.586 -5.268 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.855 -5.534 1.179 1.00 0.00 H new ATOM 2148 N PHE A 169 125.756 -2.455 -0.688 1.00 0.00 N ATOM 2149 CA PHE A 169 124.370 -2.063 -1.093 1.00 0.00 C ATOM 2150 C PHE A 169 124.157 -2.313 -2.592 1.00 0.00 C ATOM 2151 O PHE A 169 125.101 -2.421 -3.352 1.00 0.00 O ATOM 2152 CB PHE A 169 124.258 -0.567 -0.771 1.00 0.00 C ATOM 2153 CG PHE A 169 125.322 0.208 -1.518 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.052 0.711 -2.796 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.574 0.421 -0.931 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.037 1.426 -3.488 1.00 0.00 C ATOM 2157 CE2 PHE A 169 127.558 1.138 -1.622 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.290 1.640 -2.901 1.00 0.00 C ATOM 0 H PHE A 169 126.492 -2.161 -1.331 1.00 0.00 H new ATOM 0 HA PHE A 169 123.613 -2.646 -0.567 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.269 -0.201 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.368 -0.409 0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.085 0.548 -3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 169 126.781 0.032 0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 169 125.830 1.813 -4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.524 1.304 -1.168 1.00 0.00 H new ATOM 0 HZ PHE A 169 128.049 2.192 -3.435 1.00 0.00 H new ATOM 2168 N VAL A 170 122.922 -2.405 -3.017 1.00 0.00 N ATOM 2169 CA VAL A 170 122.632 -2.649 -4.464 1.00 0.00 C ATOM 2170 C VAL A 170 122.339 -1.316 -5.179 1.00 0.00 C ATOM 2171 O VAL A 170 121.607 -0.497 -4.658 1.00 0.00 O ATOM 2172 CB VAL A 170 121.391 -3.550 -4.477 1.00 0.00 C ATOM 2173 CG1 VAL A 170 121.003 -3.876 -5.922 1.00 0.00 C ATOM 2174 CG2 VAL A 170 121.694 -4.852 -3.733 1.00 0.00 C ATOM 0 H VAL A 170 122.098 -2.321 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 170 123.474 -3.110 -4.981 1.00 0.00 H new ATOM 0 HB VAL A 170 120.568 -3.030 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 170 120.121 -4.516 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 170 120.783 -2.952 -6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 170 121.828 -4.392 -6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 170 120.811 -5.491 -3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 170 122.520 -5.367 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 170 121.967 -4.627 -2.702 1.00 0.00 H new ATOM 2184 N PRO A 171 122.914 -1.129 -6.352 1.00 0.00 N ATOM 2185 CA PRO A 171 122.682 0.130 -7.106 1.00 0.00 C ATOM 2186 C PRO A 171 121.276 0.142 -7.716 1.00 0.00 C ATOM 2187 O PRO A 171 120.716 -0.890 -8.031 1.00 0.00 O ATOM 2188 CB PRO A 171 123.745 0.099 -8.199 1.00 0.00 C ATOM 2189 CG PRO A 171 124.065 -1.349 -8.393 1.00 0.00 C ATOM 2190 CD PRO A 171 123.815 -2.041 -7.078 1.00 0.00 C ATOM 0 HA PRO A 171 122.748 1.019 -6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.375 0.548 -9.121 1.00 0.00 H new ATOM 0 HB3 PRO A 171 124.630 0.662 -7.903 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.443 -1.779 -9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.102 -1.476 -8.703 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.357 -3.019 -7.224 1.00 0.00 H new ATOM 0 HD3 PRO A 171 124.744 -2.202 -6.530 1.00 0.00 H new ATOM 2198 N VAL A 172 120.708 1.309 -7.884 1.00 0.00 N ATOM 2199 CA VAL A 172 119.336 1.409 -8.475 1.00 0.00 C ATOM 2200 C VAL A 172 119.376 1.066 -9.969 1.00 0.00 C ATOM 2201 O VAL A 172 118.405 0.600 -10.533 1.00 0.00 O ATOM 2202 CB VAL A 172 118.910 2.869 -8.266 1.00 0.00 C ATOM 2203 CG1 VAL A 172 117.506 3.087 -8.837 1.00 0.00 C ATOM 2204 CG2 VAL A 172 118.900 3.190 -6.769 1.00 0.00 C ATOM 0 H VAL A 172 121.136 2.201 -7.637 1.00 0.00 H new ATOM 0 HA VAL A 172 118.637 0.715 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 172 119.616 3.523 -8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 172 117.209 4.125 -8.686 1.00 0.00 H new ATOM 0 HG12 VAL A 172 117.508 2.862 -9.903 1.00 0.00 H new ATOM 0 HG13 VAL A 172 116.800 2.430 -8.329 1.00 0.00 H new ATOM 0 HG21 VAL A 172 118.598 4.227 -6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 172 118.197 2.531 -6.260 1.00 0.00 H new ATOM 0 HG23 VAL A 172 119.899 3.041 -6.358 1.00 0.00 H new ATOM 2214 N GLU A 173 120.490 1.306 -10.613 1.00 0.00 N ATOM 2215 CA GLU A 173 120.596 1.007 -12.077 1.00 0.00 C ATOM 2216 C GLU A 173 120.357 -0.480 -12.343 1.00 0.00 C ATOM 2217 O GLU A 173 119.720 -0.849 -13.312 1.00 0.00 O ATOM 2218 CB GLU A 173 122.027 1.387 -12.462 1.00 0.00 C ATOM 2219 CG GLU A 173 122.203 1.255 -13.977 1.00 0.00 C ATOM 2220 CD GLU A 173 123.631 1.650 -14.387 1.00 0.00 C ATOM 2221 OE1 GLU A 173 124.354 2.174 -13.553 1.00 0.00 O ATOM 2222 OE2 GLU A 173 123.975 1.419 -15.535 1.00 0.00 O ATOM 0 H GLU A 173 121.332 1.696 -10.190 1.00 0.00 H new ATOM 0 HA GLU A 173 119.853 1.557 -12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 173 122.239 2.409 -12.149 1.00 0.00 H new ATOM 0 HB3 GLU A 173 122.737 0.741 -11.946 1.00 0.00 H new ATOM 0 HG2 GLU A 173 122.000 0.229 -14.285 1.00 0.00 H new ATOM 0 HG3 GLU A 173 121.481 1.891 -14.490 1.00 0.00 H new ATOM 2229 N SER A 174 120.872 -1.335 -11.497 1.00 0.00 N ATOM 2230 CA SER A 174 120.686 -2.803 -11.707 1.00 0.00 C ATOM 2231 C SER A 174 119.198 -3.170 -11.661 1.00 0.00 C ATOM 2232 O SER A 174 118.769 -4.124 -12.284 1.00 0.00 O ATOM 2233 CB SER A 174 121.437 -3.475 -10.556 1.00 0.00 C ATOM 2234 OG SER A 174 120.725 -3.263 -9.344 1.00 0.00 O ATOM 0 H SER A 174 121.413 -1.081 -10.670 1.00 0.00 H new ATOM 0 HA SER A 174 121.060 -3.123 -12.679 1.00 0.00 H new ATOM 0 HB2 SER A 174 121.541 -4.543 -10.748 1.00 0.00 H new ATOM 0 HB3 SER A 174 122.444 -3.066 -10.476 1.00 0.00 H new ATOM 0 HG SER A 174 120.740 -2.309 -9.118 1.00 0.00 H new ATOM 2240 N MET A 175 118.413 -2.423 -10.926 1.00 0.00 N ATOM 2241 CA MET A 175 116.949 -2.728 -10.833 1.00 0.00 C ATOM 2242 C MET A 175 116.291 -2.622 -12.212 1.00 0.00 C ATOM 2243 O MET A 175 115.376 -3.358 -12.529 1.00 0.00 O ATOM 2244 CB MET A 175 116.373 -1.670 -9.890 1.00 0.00 C ATOM 2245 CG MET A 175 116.985 -1.838 -8.498 1.00 0.00 C ATOM 2246 SD MET A 175 116.301 -0.585 -7.385 1.00 0.00 S ATOM 2247 CE MET A 175 117.217 -1.077 -5.903 1.00 0.00 C ATOM 0 H MET A 175 118.721 -1.615 -10.386 1.00 0.00 H new ATOM 0 HA MET A 175 116.770 -3.740 -10.470 1.00 0.00 H new ATOM 0 HB2 MET A 175 116.585 -0.672 -10.274 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.289 -1.767 -9.836 1.00 0.00 H new ATOM 0 HG2 MET A 175 116.774 -2.836 -8.114 1.00 0.00 H new ATOM 0 HG3 MET A 175 118.069 -1.740 -8.551 1.00 0.00 H new ATOM 0 HE1 MET A 175 117.570 -0.187 -5.382 1.00 0.00 H new ATOM 0 HE2 MET A 175 116.563 -1.648 -5.244 1.00 0.00 H new ATOM 0 HE3 MET A 175 118.070 -1.692 -6.190 1.00 0.00 H new ATOM 2257 N GLU A 176 116.746 -1.705 -13.028 1.00 0.00 N ATOM 2258 CA GLU A 176 116.143 -1.536 -14.389 1.00 0.00 C ATOM 2259 C GLU A 176 116.286 -2.830 -15.199 1.00 0.00 C ATOM 2260 O GLU A 176 115.379 -3.231 -15.904 1.00 0.00 O ATOM 2261 CB GLU A 176 116.939 -0.401 -15.042 1.00 0.00 C ATOM 2262 CG GLU A 176 116.395 -0.127 -16.447 1.00 0.00 C ATOM 2263 CD GLU A 176 117.205 0.995 -17.099 1.00 0.00 C ATOM 2264 OE1 GLU A 176 118.398 1.058 -16.852 1.00 0.00 O ATOM 2265 OE2 GLU A 176 116.619 1.770 -17.837 1.00 0.00 O ATOM 0 H GLU A 176 117.510 -1.064 -12.812 1.00 0.00 H new ATOM 0 HA GLU A 176 115.078 -1.309 -14.341 1.00 0.00 H new ATOM 0 HB2 GLU A 176 116.870 0.501 -14.433 1.00 0.00 H new ATOM 0 HB3 GLU A 176 117.994 -0.669 -15.097 1.00 0.00 H new ATOM 0 HG2 GLU A 176 116.453 -1.031 -17.053 1.00 0.00 H new ATOM 0 HG3 GLU A 176 115.343 0.154 -16.393 1.00 0.00 H new ATOM 2272 N THR A 177 117.418 -3.480 -15.105 1.00 0.00 N ATOM 2273 CA THR A 177 117.623 -4.749 -15.871 1.00 0.00 C ATOM 2274 C THR A 177 116.633 -5.815 -15.390 1.00 0.00 C ATOM 2275 O THR A 177 116.087 -6.566 -16.176 1.00 0.00 O ATOM 2276 CB THR A 177 119.065 -5.172 -15.572 1.00 0.00 C ATOM 2277 OG1 THR A 177 119.953 -4.146 -15.995 1.00 0.00 O ATOM 2278 CG2 THR A 177 119.391 -6.466 -16.323 1.00 0.00 C ATOM 0 H THR A 177 118.209 -3.188 -14.532 1.00 0.00 H new ATOM 0 HA THR A 177 117.457 -4.619 -16.941 1.00 0.00 H new ATOM 0 HB THR A 177 119.178 -5.339 -14.501 1.00 0.00 H new ATOM 0 HG1 THR A 177 120.876 -4.413 -15.803 1.00 0.00 H new ATOM 0 HG21 THR A 177 120.417 -6.763 -16.107 1.00 0.00 H new ATOM 0 HG22 THR A 177 118.710 -7.254 -16.002 1.00 0.00 H new ATOM 0 HG23 THR A 177 119.278 -6.303 -17.395 1.00 0.00 H new ATOM 2286 N THR A 178 116.402 -5.883 -14.103 1.00 0.00 N ATOM 2287 CA THR A 178 115.447 -6.900 -13.561 1.00 0.00 C ATOM 2288 C THR A 178 114.042 -6.648 -14.109 1.00 0.00 C ATOM 2289 O THR A 178 113.329 -7.569 -14.465 1.00 0.00 O ATOM 2290 CB THR A 178 115.462 -6.699 -12.044 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.792 -6.825 -11.562 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.576 -7.755 -11.377 1.00 0.00 C ATOM 0 H THR A 178 116.833 -5.279 -13.403 1.00 0.00 H new ATOM 0 HA THR A 178 115.729 -7.915 -13.843 1.00 0.00 H new ATOM 0 HB THR A 178 115.082 -5.705 -11.808 1.00 0.00 H new ATOM 0 HG1 THR A 178 116.785 -7.293 -10.701 1.00 0.00 H new ATOM 0 HG21 THR A 178 114.588 -7.610 -10.297 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.555 -7.658 -11.745 1.00 0.00 H new ATOM 0 HG23 THR A 178 114.954 -8.749 -11.614 1.00 0.00 H new ATOM 2300 N MET A 179 113.640 -5.405 -14.174 1.00 0.00 N ATOM 2301 CA MET A 179 112.276 -5.077 -14.693 1.00 0.00 C ATOM 2302 C MET A 179 112.123 -5.570 -16.135 1.00 0.00 C ATOM 2303 O MET A 179 111.093 -6.094 -16.514 1.00 0.00 O ATOM 2304 CB MET A 179 112.179 -3.552 -14.634 1.00 0.00 C ATOM 2305 CG MET A 179 110.743 -3.122 -14.934 1.00 0.00 C ATOM 2306 SD MET A 179 110.643 -1.314 -14.949 1.00 0.00 S ATOM 2307 CE MET A 179 111.591 -1.047 -16.467 1.00 0.00 C ATOM 0 H MET A 179 114.198 -4.600 -13.890 1.00 0.00 H new ATOM 0 HA MET A 179 111.490 -5.556 -14.109 1.00 0.00 H new ATOM 0 HB2 MET A 179 112.479 -3.196 -13.648 1.00 0.00 H new ATOM 0 HB3 MET A 179 112.862 -3.105 -15.356 1.00 0.00 H new ATOM 0 HG2 MET A 179 110.426 -3.522 -15.897 1.00 0.00 H new ATOM 0 HG3 MET A 179 110.066 -3.528 -14.182 1.00 0.00 H new ATOM 0 HE1 MET A 179 111.054 -0.353 -17.114 1.00 0.00 H new ATOM 0 HE2 MET A 179 112.567 -0.630 -16.218 1.00 0.00 H new ATOM 0 HE3 MET A 179 111.724 -1.997 -16.985 1.00 0.00 H new ATOM 2317 N ARG A 180 113.144 -5.404 -16.938 1.00 0.00 N ATOM 2318 CA ARG A 180 113.068 -5.863 -18.361 1.00 0.00 C ATOM 2319 C ARG A 180 112.816 -7.374 -18.414 1.00 0.00 C ATOM 2320 O ARG A 180 112.057 -7.856 -19.234 1.00 0.00 O ATOM 2321 CB ARG A 180 114.433 -5.521 -18.968 1.00 0.00 C ATOM 2322 CG ARG A 180 114.457 -5.926 -20.444 1.00 0.00 C ATOM 2323 CD ARG A 180 115.822 -5.583 -21.046 1.00 0.00 C ATOM 2324 NE ARG A 180 116.794 -6.423 -20.295 1.00 0.00 N ATOM 2325 CZ ARG A 180 117.338 -7.462 -20.866 1.00 0.00 C ATOM 2326 NH1 ARG A 180 116.822 -8.648 -20.690 1.00 0.00 N ATOM 2327 NH2 ARG A 180 118.397 -7.317 -21.615 1.00 0.00 N ATOM 0 H ARG A 180 114.028 -4.970 -16.671 1.00 0.00 H new ATOM 0 HA ARG A 180 112.254 -5.385 -18.906 1.00 0.00 H new ATOM 0 HB2 ARG A 180 114.628 -4.453 -18.871 1.00 0.00 H new ATOM 0 HB3 ARG A 180 115.223 -6.040 -18.426 1.00 0.00 H new ATOM 0 HG2 ARG A 180 114.263 -6.994 -20.542 1.00 0.00 H new ATOM 0 HG3 ARG A 180 113.667 -5.407 -20.987 1.00 0.00 H new ATOM 0 HD2 ARG A 180 115.850 -5.805 -22.113 1.00 0.00 H new ATOM 0 HD3 ARG A 180 116.048 -4.522 -20.935 1.00 0.00 H new ATOM 0 HE ARG A 180 117.035 -6.186 -19.333 1.00 0.00 H new ATOM 0 HH11 ARG A 180 115.994 -8.762 -20.106 1.00 0.00 H new ATOM 0 HH12 ARG A 180 117.247 -9.461 -21.136 1.00 0.00 H new ATOM 0 HH21 ARG A 180 118.800 -6.390 -21.754 1.00 0.00 H new ATOM 0 HH22 ARG A 180 118.821 -8.130 -22.061 1.00 0.00 H new ATOM 2341 N ALA A 181 113.449 -8.120 -17.544 1.00 0.00 N ATOM 2342 CA ALA A 181 113.252 -9.603 -17.536 1.00 0.00 C ATOM 2343 C ALA A 181 111.803 -9.941 -17.174 1.00 0.00 C ATOM 2344 O ALA A 181 111.349 -9.676 -16.078 1.00 0.00 O ATOM 2345 CB ALA A 181 114.209 -10.132 -16.465 1.00 0.00 C ATOM 0 H ALA A 181 114.095 -7.766 -16.838 1.00 0.00 H new ATOM 0 HA ALA A 181 113.450 -10.048 -18.511 1.00 0.00 H new ATOM 0 HB1 ALA A 181 114.120 -11.217 -16.401 1.00 0.00 H new ATOM 0 HB2 ALA A 181 115.233 -9.866 -16.729 1.00 0.00 H new ATOM 0 HB3 ALA A 181 113.956 -9.690 -15.501 1.00 0.00 H new