USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 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 87 MET CE :methyl 176:sc= -11.2! (180deg=-6.23!) USER MOD Set 1.2: A 125 ASN : amide:sc= -6.02! C(o=-17!,f=-21!) USER MOD Set 2.1: A 124 MET CE :methyl -153:sc= -0.404 (180deg=-0.746) USER MOD Set 2.2: A 126 GLN : amide:sc= -0.703 K(o=-1.1,f=-6.1!) USER MOD Single : A 81 HIS :FLIP no HE2:sc= -4.33 F(o=-9.7!,f=-4.3) USER MOD Single : A 85 SER OG : rot -90:sc= -4.22! USER MOD Single : A 90 THR OG1 : rot 128:sc= -1.4! USER MOD Single : A 92 TYR OH : rot -167:sc= 0.909 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -2.17! USER MOD Single : A 100 LYS NZ :NH3+ 154:sc= -0.0904 (180deg=-0.548) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -7.09! C(o=-7.1!,f=-8.4!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 116 CYS SG : rot 160:sc= -0.0334 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00468) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 167:sc= -0.389 (180deg=-0.673) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 144 GLN : amide:sc= -2.29! C(o=-2.3!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -10.444 11.567 -3.821 1.00 0.00 N ATOM 67 CA GLY A 80 -9.269 10.717 -3.822 1.00 0.00 C ATOM 68 C GLY A 80 -8.929 10.194 -2.440 1.00 0.00 C ATOM 69 O GLY A 80 -9.651 10.453 -1.477 1.00 0.00 O ATOM 0 HA2 GLY A 80 -9.434 9.875 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.420 11.277 -4.214 1.00 0.00 H new ATOM 73 N HIS A 81 -7.826 9.457 -2.341 1.00 0.00 N ATOM 74 CA HIS A 81 -7.392 8.898 -1.067 1.00 0.00 C ATOM 75 C HIS A 81 -6.195 7.975 -1.258 1.00 0.00 C ATOM 76 O HIS A 81 -6.348 6.757 -1.355 1.00 0.00 O ATOM 77 CB HIS A 81 -8.534 8.129 -0.401 1.00 0.00 C ATOM 78 CG HIS A 81 -8.144 7.488 0.897 1.00 0.00 C ATOM 79 ND1 HIS A 81 -7.367 6.408 1.156 1.00 0.00 N flip ATOM 80 CD2 HIS A 81 -8.566 7.958 2.123 1.00 0.00 C flip ATOM 81 CE1 HIS A 81 -7.335 6.251 2.520 1.00 0.00 C flip ATOM 82 NE2 HIS A 81 -8.064 7.198 3.080 1.00 0.00 N flip ATOM 0 H HIS A 81 -7.217 9.234 -3.129 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.096 9.726 -0.423 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.367 8.810 -0.225 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.891 7.359 -1.085 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -6.895 5.822 0.467 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.207 8.814 2.277 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.799 5.477 3.049 1.00 0.00 H new ATOM 91 N ILE A 82 -5.004 8.559 -1.307 1.00 0.00 N ATOM 92 CA ILE A 82 -3.784 7.781 -1.478 1.00 0.00 C ATOM 93 C ILE A 82 -3.115 7.534 -0.134 1.00 0.00 C ATOM 94 O ILE A 82 -3.614 7.963 0.907 1.00 0.00 O ATOM 95 CB ILE A 82 -2.774 8.484 -2.410 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.407 9.702 -3.076 1.00 0.00 C ATOM 97 CG2 ILE A 82 -2.255 7.512 -3.458 1.00 0.00 C ATOM 98 CD1 ILE A 82 -4.661 9.376 -3.849 1.00 0.00 C ATOM 0 H ILE A 82 -4.857 9.566 -1.231 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.078 6.835 -1.932 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.933 8.826 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.642 10.444 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.681 10.157 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.544 8.023 -4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.760 6.675 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.089 7.140 -4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.059 10.286 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.428 8.657 -4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.403 8.948 -3.175 1.00 0.00 H new ATOM 110 N VAL A 83 -1.983 6.848 -0.162 1.00 0.00 N ATOM 111 CA VAL A 83 -1.245 6.552 1.059 1.00 0.00 C ATOM 112 C VAL A 83 0.137 7.192 1.041 1.00 0.00 C ATOM 113 O VAL A 83 0.921 7.009 1.971 1.00 0.00 O ATOM 114 CB VAL A 83 -1.096 5.035 1.279 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.380 4.753 2.591 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.456 4.356 1.251 1.00 0.00 C ATOM 0 H VAL A 83 -1.555 6.486 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.824 6.973 1.881 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.494 4.627 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.284 3.676 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.611 5.206 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.953 5.175 3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.331 3.285 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.085 4.768 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.929 4.528 0.284 1.00 0.00 H new ATOM 126 N ARG A 84 0.417 7.944 -0.023 1.00 0.00 N ATOM 127 CA ARG A 84 1.700 8.629 -0.188 1.00 0.00 C ATOM 128 C ARG A 84 2.803 7.948 0.612 1.00 0.00 C ATOM 129 O ARG A 84 2.935 8.173 1.815 1.00 0.00 O ATOM 130 CB ARG A 84 1.579 10.095 0.235 1.00 0.00 C ATOM 131 CG ARG A 84 0.523 10.339 1.300 1.00 0.00 C ATOM 132 CD ARG A 84 0.004 11.767 1.252 1.00 0.00 C ATOM 133 NE ARG A 84 0.802 12.668 2.080 1.00 0.00 N ATOM 134 CZ ARG A 84 0.688 13.992 2.046 1.00 0.00 C ATOM 135 NH1 ARG A 84 -0.183 14.565 1.226 1.00 0.00 N ATOM 136 NH2 ARG A 84 1.446 14.745 2.832 1.00 0.00 N ATOM 0 H ARG A 84 -0.236 8.096 -0.792 1.00 0.00 H new ATOM 0 HA ARG A 84 1.967 8.580 -1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.544 10.437 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.344 10.699 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.305 9.645 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.944 10.137 2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.011 12.121 0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.032 11.787 1.589 1.00 0.00 H new ATOM 0 HE ARG A 84 1.484 12.259 2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.767 13.989 0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.268 15.581 1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.117 14.308 3.464 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.357 15.761 2.805 1.00 0.00 H new ATOM 150 N SER A 85 3.589 7.113 -0.062 1.00 0.00 N ATOM 151 CA SER A 85 4.678 6.397 0.591 1.00 0.00 C ATOM 152 C SER A 85 5.306 7.250 1.687 1.00 0.00 C ATOM 153 O SER A 85 6.173 8.080 1.419 1.00 0.00 O ATOM 154 CB SER A 85 5.741 5.997 -0.433 1.00 0.00 C ATOM 155 OG SER A 85 6.534 4.923 0.046 1.00 0.00 O ATOM 0 H SER A 85 3.492 6.916 -1.058 1.00 0.00 H new ATOM 0 HA SER A 85 4.267 5.496 1.046 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.260 5.709 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.378 6.853 -0.653 1.00 0.00 H new ATOM 0 HG SER A 85 7.307 5.279 0.531 1.00 0.00 H new ATOM 161 N PRO A 86 4.871 7.058 2.942 1.00 0.00 N ATOM 162 CA PRO A 86 5.394 7.813 4.084 1.00 0.00 C ATOM 163 C PRO A 86 6.896 7.628 4.247 1.00 0.00 C ATOM 164 O PRO A 86 7.680 8.521 3.928 1.00 0.00 O ATOM 165 CB PRO A 86 4.642 7.229 5.288 1.00 0.00 C ATOM 166 CG PRO A 86 4.101 5.922 4.816 1.00 0.00 C ATOM 167 CD PRO A 86 3.844 6.088 3.346 1.00 0.00 C ATOM 0 HA PRO A 86 5.246 8.886 3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.308 7.095 6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.840 7.893 5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.812 5.116 4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.184 5.665 5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.945 5.145 2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.838 6.460 3.151 1.00 0.00 H new ATOM 175 N MET A 87 7.292 6.459 4.738 1.00 0.00 N ATOM 176 CA MET A 87 8.701 6.157 4.934 1.00 0.00 C ATOM 177 C MET A 87 9.404 5.968 3.597 1.00 0.00 C ATOM 178 O MET A 87 8.772 5.648 2.591 1.00 0.00 O ATOM 179 CB MET A 87 8.860 4.900 5.788 1.00 0.00 C ATOM 180 CG MET A 87 9.154 5.200 7.245 1.00 0.00 C ATOM 181 SD MET A 87 9.566 3.721 8.192 1.00 0.00 S ATOM 182 CE MET A 87 8.304 2.587 7.615 1.00 0.00 C ATOM 0 H MET A 87 6.657 5.707 5.007 1.00 0.00 H new ATOM 0 HA MET A 87 9.160 6.999 5.451 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.948 4.307 5.723 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.666 4.291 5.379 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.981 5.907 7.306 1.00 0.00 H new ATOM 0 HG3 MET A 87 8.287 5.684 7.694 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.469 1.604 8.057 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.321 2.957 7.908 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.353 2.510 6.529 1.00 0.00 H new ATOM 192 N VAL A 88 10.716 6.168 3.593 1.00 0.00 N ATOM 193 CA VAL A 88 11.504 6.018 2.377 1.00 0.00 C ATOM 194 C VAL A 88 11.791 4.548 2.088 1.00 0.00 C ATOM 195 O VAL A 88 12.946 4.137 1.985 1.00 0.00 O ATOM 196 CB VAL A 88 12.835 6.787 2.473 1.00 0.00 C ATOM 197 CG1 VAL A 88 13.553 6.457 3.772 1.00 0.00 C ATOM 198 CG2 VAL A 88 13.718 6.480 1.272 1.00 0.00 C ATOM 0 H VAL A 88 11.256 6.434 4.417 1.00 0.00 H new ATOM 0 HA VAL A 88 10.914 6.435 1.561 1.00 0.00 H new ATOM 0 HB VAL A 88 12.616 7.855 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.491 7.010 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.923 6.736 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.760 5.388 3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.654 7.032 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.929 5.411 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.204 6.776 0.357 1.00 0.00 H new ATOM 208 N GLY A 89 10.726 3.760 1.958 1.00 0.00 N ATOM 209 CA GLY A 89 10.878 2.343 1.680 1.00 0.00 C ATOM 210 C GLY A 89 10.337 1.961 0.316 1.00 0.00 C ATOM 211 O GLY A 89 10.380 2.760 -0.620 1.00 0.00 O ATOM 0 H GLY A 89 9.761 4.079 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.933 2.075 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.361 1.767 2.447 1.00 0.00 H new ATOM 215 N THR A 90 9.825 0.738 0.200 1.00 0.00 N ATOM 216 CA THR A 90 9.276 0.262 -1.065 1.00 0.00 C ATOM 217 C THR A 90 7.822 -0.176 -0.907 1.00 0.00 C ATOM 218 O THR A 90 7.432 -0.729 0.124 1.00 0.00 O ATOM 219 CB THR A 90 10.110 -0.899 -1.609 1.00 0.00 C ATOM 220 OG1 THR A 90 11.364 -0.439 -2.079 1.00 0.00 O ATOM 221 CG2 THR A 90 9.438 -1.640 -2.743 1.00 0.00 C ATOM 0 H THR A 90 9.779 0.062 0.963 1.00 0.00 H new ATOM 0 HA THR A 90 9.311 1.090 -1.773 1.00 0.00 H new ATOM 0 HB THR A 90 10.230 -1.585 -0.770 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.080 -0.973 -1.676 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.084 -2.450 -3.081 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.490 -2.052 -2.397 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.255 -0.953 -3.569 1.00 0.00 H new ATOM 229 N PHE A 91 7.030 0.078 -1.945 1.00 0.00 N ATOM 230 CA PHE A 91 5.614 -0.279 -1.952 1.00 0.00 C ATOM 231 C PHE A 91 5.430 -1.738 -2.357 1.00 0.00 C ATOM 232 O PHE A 91 6.149 -2.245 -3.217 1.00 0.00 O ATOM 233 CB PHE A 91 4.859 0.641 -2.918 1.00 0.00 C ATOM 234 CG PHE A 91 3.458 0.199 -3.247 1.00 0.00 C ATOM 235 CD1 PHE A 91 3.215 -0.666 -4.314 1.00 0.00 C ATOM 236 CD2 PHE A 91 2.374 0.665 -2.505 1.00 0.00 C ATOM 237 CE1 PHE A 91 1.921 -1.054 -4.627 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.083 0.280 -2.819 1.00 0.00 C ATOM 239 CZ PHE A 91 0.857 -0.579 -3.879 1.00 0.00 C ATOM 0 H PHE A 91 7.349 0.534 -2.800 1.00 0.00 H new ATOM 0 HA PHE A 91 5.212 -0.153 -0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.817 1.641 -2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.428 0.717 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.042 -1.037 -4.901 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.544 1.335 -1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 91 1.743 -1.726 -5.453 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.252 0.650 -2.237 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.151 -0.880 -4.124 1.00 0.00 H new ATOM 249 N TYR A 92 4.465 -2.406 -1.727 1.00 0.00 N ATOM 250 CA TYR A 92 4.182 -3.809 -2.018 1.00 0.00 C ATOM 251 C TYR A 92 2.688 -4.096 -1.911 1.00 0.00 C ATOM 252 O TYR A 92 1.966 -3.416 -1.183 1.00 0.00 O ATOM 253 CB TYR A 92 4.952 -4.720 -1.062 1.00 0.00 C ATOM 254 CG TYR A 92 6.435 -4.782 -1.346 1.00 0.00 C ATOM 255 CD1 TYR A 92 6.917 -4.703 -2.651 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.355 -4.916 -0.308 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.279 -4.756 -2.915 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.715 -4.969 -0.561 1.00 0.00 C ATOM 259 CZ TYR A 92 9.174 -4.888 -1.865 1.00 0.00 C ATOM 260 OH TYR A 92 10.524 -4.941 -2.121 1.00 0.00 O ATOM 0 H TYR A 92 3.865 -1.997 -1.011 1.00 0.00 H new ATOM 0 HA TYR A 92 4.504 -4.010 -3.040 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.801 -4.371 -0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.537 -5.726 -1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.220 -4.599 -3.470 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.001 -4.980 0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.639 -4.695 -3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.415 -5.073 0.255 1.00 0.00 H new ATOM 0 HH TYR A 92 10.998 -5.240 -1.317 1.00 0.00 H new ATOM 270 N ARG A 93 2.233 -5.111 -2.639 1.00 0.00 N ATOM 271 CA ARG A 93 0.827 -5.491 -2.624 1.00 0.00 C ATOM 272 C ARG A 93 0.675 -7.008 -2.624 1.00 0.00 C ATOM 273 O ARG A 93 -0.279 -7.547 -3.186 1.00 0.00 O ATOM 274 CB ARG A 93 0.101 -4.893 -3.831 1.00 0.00 C ATOM 275 CG ARG A 93 0.736 -5.252 -5.164 1.00 0.00 C ATOM 276 CD ARG A 93 -0.116 -4.781 -6.332 1.00 0.00 C ATOM 277 NE ARG A 93 -0.518 -5.885 -7.198 1.00 0.00 N ATOM 278 CZ ARG A 93 -0.977 -5.720 -8.433 1.00 0.00 C ATOM 279 NH1 ARG A 93 -1.092 -4.501 -8.943 1.00 0.00 N ATOM 280 NH2 ARG A 93 -1.322 -6.773 -9.162 1.00 0.00 N ATOM 0 H ARG A 93 2.819 -5.684 -3.246 1.00 0.00 H new ATOM 0 HA ARG A 93 0.380 -5.099 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.934 -5.235 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.079 -3.808 -3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.726 -4.801 -5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.873 -6.332 -5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.004 -4.277 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.442 -4.048 -6.915 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.442 -6.835 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.828 -3.688 -8.386 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.445 -4.376 -9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.235 -7.712 -8.774 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.674 -6.643 -10.110 1.00 0.00 H new ATOM 294 N THR A 94 1.620 -7.692 -1.989 1.00 0.00 N ATOM 295 CA THR A 94 1.593 -9.148 -1.912 1.00 0.00 C ATOM 296 C THR A 94 2.219 -9.635 -0.610 1.00 0.00 C ATOM 297 O THR A 94 3.431 -9.543 -0.419 1.00 0.00 O ATOM 298 CB THR A 94 2.329 -9.757 -3.106 1.00 0.00 C ATOM 299 OG1 THR A 94 3.227 -8.819 -3.672 1.00 0.00 O ATOM 300 CG2 THR A 94 1.402 -10.225 -4.207 1.00 0.00 C ATOM 0 H THR A 94 2.416 -7.261 -1.519 1.00 0.00 H new ATOM 0 HA THR A 94 0.552 -9.469 -1.935 1.00 0.00 H new ATOM 0 HB THR A 94 2.859 -10.622 -2.707 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.690 -9.227 -4.433 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.990 -10.646 -5.023 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.727 -10.986 -3.815 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.821 -9.380 -4.577 1.00 0.00 H new ATOM 308 N PRO A 95 1.393 -10.162 0.305 1.00 0.00 N ATOM 309 CA PRO A 95 1.862 -10.669 1.599 1.00 0.00 C ATOM 310 C PRO A 95 2.751 -11.899 1.450 1.00 0.00 C ATOM 311 O PRO A 95 3.741 -12.052 2.165 1.00 0.00 O ATOM 312 CB PRO A 95 0.569 -11.030 2.336 1.00 0.00 C ATOM 313 CG PRO A 95 -0.437 -11.250 1.259 1.00 0.00 C ATOM 314 CD PRO A 95 -0.065 -10.308 0.149 1.00 0.00 C ATOM 0 HA PRO A 95 2.474 -9.935 2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.698 -11.925 2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.260 -10.229 3.008 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.421 -12.284 0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.446 -11.049 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.327 -10.714 -0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.578 -9.351 0.244 1.00 0.00 H new ATOM 322 N SER A 96 2.390 -12.772 0.517 1.00 0.00 N ATOM 323 CA SER A 96 3.154 -13.989 0.273 1.00 0.00 C ATOM 324 C SER A 96 3.483 -14.137 -1.209 1.00 0.00 C ATOM 325 O SER A 96 2.949 -13.415 -2.050 1.00 0.00 O ATOM 326 CB SER A 96 2.376 -15.212 0.759 1.00 0.00 C ATOM 327 OG SER A 96 3.217 -16.100 1.474 1.00 0.00 O ATOM 0 H SER A 96 1.573 -12.660 -0.083 1.00 0.00 H new ATOM 0 HA SER A 96 4.089 -13.918 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.552 -14.893 1.398 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.936 -15.730 -0.094 1.00 0.00 H new ATOM 0 HG SER A 96 2.695 -16.873 1.776 1.00 0.00 H new ATOM 333 N PRO A 97 4.373 -15.082 -1.544 1.00 0.00 N ATOM 334 CA PRO A 97 4.781 -15.333 -2.930 1.00 0.00 C ATOM 335 C PRO A 97 3.587 -15.544 -3.853 1.00 0.00 C ATOM 336 O PRO A 97 3.452 -14.870 -4.875 1.00 0.00 O ATOM 337 CB PRO A 97 5.614 -16.612 -2.830 1.00 0.00 C ATOM 338 CG PRO A 97 6.122 -16.626 -1.430 1.00 0.00 C ATOM 339 CD PRO A 97 5.052 -15.981 -0.594 1.00 0.00 C ATOM 0 HA PRO A 97 5.324 -14.489 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.010 -17.495 -3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.434 -16.607 -3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.317 -17.645 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.062 -16.079 -1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.366 -16.720 -0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.475 -15.432 0.247 1.00 0.00 H new ATOM 347 N ASP A 98 2.721 -16.482 -3.486 1.00 0.00 N ATOM 348 CA ASP A 98 1.536 -16.783 -4.281 1.00 0.00 C ATOM 349 C ASP A 98 0.271 -16.662 -3.438 1.00 0.00 C ATOM 350 O ASP A 98 -0.358 -17.663 -3.097 1.00 0.00 O ATOM 351 CB ASP A 98 1.636 -18.190 -4.872 1.00 0.00 C ATOM 352 CG ASP A 98 1.316 -18.219 -6.354 1.00 0.00 C ATOM 353 OD1 ASP A 98 0.140 -17.998 -6.712 1.00 0.00 O ATOM 354 OD2 ASP A 98 2.242 -18.464 -7.156 1.00 0.00 O ATOM 0 H ASP A 98 2.817 -17.047 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 98 1.481 -16.059 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.642 -18.577 -4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.952 -18.853 -4.342 1.00 0.00 H new ATOM 359 N ALA A 99 -0.096 -15.429 -3.103 1.00 0.00 N ATOM 360 CA ALA A 99 -1.285 -15.177 -2.300 1.00 0.00 C ATOM 361 C ALA A 99 -2.293 -14.324 -3.063 1.00 0.00 C ATOM 362 O ALA A 99 -2.172 -14.137 -4.273 1.00 0.00 O ATOM 363 CB ALA A 99 -0.904 -14.502 -0.991 1.00 0.00 C ATOM 0 H ALA A 99 0.414 -14.589 -3.376 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.754 -16.136 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.802 -14.320 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.227 -15.148 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.409 -13.554 -1.201 1.00 0.00 H new ATOM 369 N LYS A 100 -3.286 -13.808 -2.345 1.00 0.00 N ATOM 370 CA LYS A 100 -4.315 -12.973 -2.955 1.00 0.00 C ATOM 371 C LYS A 100 -3.940 -11.497 -2.861 1.00 0.00 C ATOM 372 O LYS A 100 -4.810 -10.628 -2.804 1.00 0.00 O ATOM 373 CB LYS A 100 -5.665 -13.211 -2.276 1.00 0.00 C ATOM 374 CG LYS A 100 -5.987 -14.680 -2.060 1.00 0.00 C ATOM 375 CD LYS A 100 -6.410 -14.952 -0.625 1.00 0.00 C ATOM 376 CE LYS A 100 -7.911 -14.793 -0.448 1.00 0.00 C ATOM 377 NZ LYS A 100 -8.672 -15.822 -1.209 1.00 0.00 N ATOM 0 H LYS A 100 -3.400 -13.953 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.393 -13.246 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.673 -12.701 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.451 -12.761 -2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.784 -14.983 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.114 -15.285 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.114 -15.962 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.889 -14.268 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.161 -14.865 0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.212 -13.799 -0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.594 -15.979 -0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.819 -15.494 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.135 -16.713 -1.221 1.00 0.00 H new ATOM 391 N ALA A 101 -2.641 -11.222 -2.844 1.00 0.00 N ATOM 392 CA ALA A 101 -2.152 -9.851 -2.756 1.00 0.00 C ATOM 393 C ALA A 101 -2.622 -9.185 -1.468 1.00 0.00 C ATOM 394 O ALA A 101 -3.454 -9.729 -0.743 1.00 0.00 O ATOM 395 CB ALA A 101 -2.610 -9.050 -3.965 1.00 0.00 C ATOM 0 H ALA A 101 -1.908 -11.930 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.062 -9.878 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.238 -8.028 -3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.221 -9.509 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.699 -9.038 -4.002 1.00 0.00 H new ATOM 401 N PHE A 102 -2.084 -8.002 -1.190 1.00 0.00 N ATOM 402 CA PHE A 102 -2.449 -7.261 0.012 1.00 0.00 C ATOM 403 C PHE A 102 -3.678 -6.392 -0.238 1.00 0.00 C ATOM 404 O PHE A 102 -4.584 -6.330 0.592 1.00 0.00 O ATOM 405 CB PHE A 102 -1.278 -6.392 0.476 1.00 0.00 C ATOM 406 CG PHE A 102 -0.860 -6.659 1.894 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.789 -7.099 2.831 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.458 -6.471 2.293 1.00 0.00 C ATOM 409 CE1 PHE A 102 -1.409 -7.347 4.141 1.00 0.00 C ATOM 410 CE2 PHE A 102 0.844 -6.717 3.603 1.00 0.00 C ATOM 411 CZ PHE A 102 -0.092 -7.156 4.527 1.00 0.00 C ATOM 0 H PHE A 102 -1.395 -7.536 -1.780 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.689 -7.980 0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.427 -6.561 -0.183 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.554 -5.342 0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.817 -7.249 2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.190 -6.130 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.139 -7.689 4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.871 -6.567 3.902 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.205 -7.349 5.547 1.00 0.00 H new ATOM 421 N ILE A 103 -3.701 -5.725 -1.388 1.00 0.00 N ATOM 422 CA ILE A 103 -4.820 -4.862 -1.750 1.00 0.00 C ATOM 423 C ILE A 103 -4.721 -4.419 -3.205 1.00 0.00 C ATOM 424 O ILE A 103 -3.657 -4.010 -3.669 1.00 0.00 O ATOM 425 CB ILE A 103 -4.883 -3.613 -0.850 1.00 0.00 C ATOM 426 CG1 ILE A 103 -3.479 -3.047 -0.626 1.00 0.00 C ATOM 427 CG2 ILE A 103 -5.542 -3.950 0.479 1.00 0.00 C ATOM 428 CD1 ILE A 103 -3.229 -1.746 -1.358 1.00 0.00 C ATOM 0 H ILE A 103 -2.957 -5.766 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.729 -5.447 -1.609 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.485 -2.854 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.325 -2.889 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.743 -3.784 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.579 -3.057 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.555 -4.311 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.965 -4.724 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.215 -1.403 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.350 -1.902 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.942 -0.995 -1.018 1.00 0.00 H new ATOM 440 N GLU A 104 -5.837 -4.504 -3.921 1.00 0.00 N ATOM 441 CA GLU A 104 -5.874 -4.112 -5.324 1.00 0.00 C ATOM 442 C GLU A 104 -7.139 -3.320 -5.636 1.00 0.00 C ATOM 443 O GLU A 104 -8.138 -3.419 -4.923 1.00 0.00 O ATOM 444 CB GLU A 104 -5.799 -5.348 -6.223 1.00 0.00 C ATOM 445 CG GLU A 104 -4.426 -5.572 -6.835 1.00 0.00 C ATOM 446 CD GLU A 104 -4.365 -6.822 -7.688 1.00 0.00 C ATOM 447 OE1 GLU A 104 -5.116 -6.899 -8.683 1.00 0.00 O ATOM 448 OE2 GLU A 104 -3.567 -7.726 -7.361 1.00 0.00 O ATOM 0 H GLU A 104 -6.727 -4.841 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.011 -3.475 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.076 -6.227 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.533 -5.250 -7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.158 -4.708 -7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.685 -5.643 -6.039 1.00 0.00 H new ATOM 455 N VAL A 105 -7.089 -2.534 -6.707 1.00 0.00 N ATOM 456 CA VAL A 105 -8.231 -1.726 -7.114 1.00 0.00 C ATOM 457 C VAL A 105 -9.539 -2.483 -6.910 1.00 0.00 C ATOM 458 O VAL A 105 -9.708 -3.595 -7.411 1.00 0.00 O ATOM 459 CB VAL A 105 -8.123 -1.300 -8.589 1.00 0.00 C ATOM 460 CG1 VAL A 105 -9.044 -0.124 -8.874 1.00 0.00 C ATOM 461 CG2 VAL A 105 -6.684 -0.959 -8.943 1.00 0.00 C ATOM 0 H VAL A 105 -6.270 -2.440 -7.308 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.227 -0.835 -6.486 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.437 -2.136 -9.213 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.954 0.163 -9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.075 -0.410 -8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.765 0.719 -8.242 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.628 -0.660 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.339 -0.140 -8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.053 -1.833 -8.781 1.00 0.00 H new ATOM 471 N GLY A 106 -10.462 -1.875 -6.173 1.00 0.00 N ATOM 472 CA GLY A 106 -11.741 -2.508 -5.917 1.00 0.00 C ATOM 473 C GLY A 106 -11.888 -2.955 -4.476 1.00 0.00 C ATOM 474 O GLY A 106 -12.999 -3.025 -3.950 1.00 0.00 O ATOM 0 H GLY A 106 -10.347 -0.955 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.543 -1.812 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.855 -3.370 -6.575 1.00 0.00 H new ATOM 478 N GLN A 107 -10.763 -3.258 -3.836 1.00 0.00 N ATOM 479 CA GLN A 107 -10.768 -3.701 -2.446 1.00 0.00 C ATOM 480 C GLN A 107 -11.105 -2.546 -1.509 1.00 0.00 C ATOM 481 O GLN A 107 -10.307 -1.626 -1.330 1.00 0.00 O ATOM 482 CB GLN A 107 -9.410 -4.299 -2.073 1.00 0.00 C ATOM 483 CG GLN A 107 -9.325 -4.766 -0.629 1.00 0.00 C ATOM 484 CD GLN A 107 -9.759 -6.208 -0.456 1.00 0.00 C ATOM 485 OE1 GLN A 107 -10.729 -6.655 -1.069 1.00 0.00 O ATOM 486 NE2 GLN A 107 -9.041 -6.946 0.384 1.00 0.00 N ATOM 0 H GLN A 107 -9.836 -3.205 -4.258 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.535 -4.468 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.201 -5.142 -2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.634 -3.555 -2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.300 -4.654 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.950 -4.125 -0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.245 -6.535 0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.286 -7.924 0.541 1.00 0.00 H new ATOM 495 N LYS A 108 -12.292 -2.600 -0.917 1.00 0.00 N ATOM 496 CA LYS A 108 -12.739 -1.558 0.000 1.00 0.00 C ATOM 497 C LYS A 108 -12.023 -1.667 1.343 1.00 0.00 C ATOM 498 O LYS A 108 -12.479 -2.371 2.244 1.00 0.00 O ATOM 499 CB LYS A 108 -14.251 -1.650 0.209 1.00 0.00 C ATOM 500 CG LYS A 108 -15.052 -1.471 -1.070 1.00 0.00 C ATOM 501 CD LYS A 108 -16.378 -0.778 -0.804 1.00 0.00 C ATOM 502 CE LYS A 108 -17.544 -1.574 -1.368 1.00 0.00 C ATOM 503 NZ LYS A 108 -18.512 -1.967 -0.308 1.00 0.00 N ATOM 0 H LYS A 108 -12.963 -3.355 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.496 -0.592 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.491 -2.619 0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.557 -0.891 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.472 -0.887 -1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.234 -2.444 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.512 -0.645 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.366 0.217 -1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -18.056 -0.981 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.167 -2.468 -1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.292 -2.508 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.030 -2.555 0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.892 -1.114 0.149 1.00 0.00 H new ATOM 517 N VAL A 109 -10.901 -0.964 1.471 1.00 0.00 N ATOM 518 CA VAL A 109 -10.128 -0.984 2.707 1.00 0.00 C ATOM 519 C VAL A 109 -11.021 -0.708 3.912 1.00 0.00 C ATOM 520 O VAL A 109 -12.206 -0.411 3.761 1.00 0.00 O ATOM 521 CB VAL A 109 -8.982 0.047 2.681 1.00 0.00 C ATOM 522 CG1 VAL A 109 -7.696 -0.598 2.187 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.352 1.243 1.816 1.00 0.00 C ATOM 0 H VAL A 109 -10.509 -0.376 0.736 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.698 -1.982 2.793 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.818 0.403 3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.898 0.144 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.421 -1.416 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.847 -0.985 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.529 1.958 1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.547 0.909 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.245 1.721 2.218 1.00 0.00 H new ATOM 533 N ASN A 110 -10.446 -0.805 5.107 1.00 0.00 N ATOM 534 CA ASN A 110 -11.191 -0.564 6.335 1.00 0.00 C ATOM 535 C ASN A 110 -10.244 -0.316 7.499 1.00 0.00 C ATOM 536 O ASN A 110 -9.295 -1.069 7.718 1.00 0.00 O ATOM 537 CB ASN A 110 -12.098 -1.752 6.655 1.00 0.00 C ATOM 538 CG ASN A 110 -12.952 -2.170 5.474 1.00 0.00 C ATOM 539 OD1 ASN A 110 -12.467 -2.802 4.536 1.00 0.00 O ATOM 540 ND2 ASN A 110 -14.231 -1.818 5.514 1.00 0.00 N ATOM 0 H ASN A 110 -9.466 -1.049 5.249 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.806 0.323 6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.486 -2.596 6.973 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -12.745 -1.494 7.493 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -14.854 -2.071 4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -14.591 -1.294 6.312 1.00 0.00 H new ATOM 547 N VAL A 111 -10.513 0.747 8.243 1.00 0.00 N ATOM 548 CA VAL A 111 -9.693 1.106 9.395 1.00 0.00 C ATOM 549 C VAL A 111 -9.172 -0.138 10.106 1.00 0.00 C ATOM 550 O VAL A 111 -9.906 -1.107 10.297 1.00 0.00 O ATOM 551 CB VAL A 111 -10.481 1.967 10.401 1.00 0.00 C ATOM 552 CG1 VAL A 111 -10.929 3.270 9.757 1.00 0.00 C ATOM 553 CG2 VAL A 111 -11.674 1.194 10.944 1.00 0.00 C ATOM 0 H VAL A 111 -11.295 1.379 8.070 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.851 1.685 9.016 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.823 2.211 11.235 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.484 3.863 10.484 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.056 3.830 9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.569 3.052 8.902 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.219 1.817 11.653 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.334 0.918 10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.325 0.292 11.447 1.00 0.00 H new ATOM 563 N GLY A 112 -7.903 -0.104 10.495 1.00 0.00 N ATOM 564 CA GLY A 112 -7.308 -1.238 11.178 1.00 0.00 C ATOM 565 C GLY A 112 -7.216 -2.465 10.293 1.00 0.00 C ATOM 566 O GLY A 112 -7.280 -3.595 10.776 1.00 0.00 O ATOM 0 H GLY A 112 -7.276 0.687 10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.310 -0.967 11.523 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.898 -1.476 12.063 1.00 0.00 H new ATOM 570 N ASP A 113 -7.067 -2.241 8.991 1.00 0.00 N ATOM 571 CA ASP A 113 -6.966 -3.336 8.033 1.00 0.00 C ATOM 572 C ASP A 113 -5.701 -3.202 7.191 1.00 0.00 C ATOM 573 O ASP A 113 -5.630 -2.365 6.290 1.00 0.00 O ATOM 574 CB ASP A 113 -8.197 -3.363 7.125 1.00 0.00 C ATOM 575 CG ASP A 113 -8.336 -4.674 6.379 1.00 0.00 C ATOM 576 OD1 ASP A 113 -7.719 -4.813 5.301 1.00 0.00 O ATOM 577 OD2 ASP A 113 -9.063 -5.564 6.870 1.00 0.00 O ATOM 0 H ASP A 113 -7.014 -1.311 8.575 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.915 -4.272 8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.091 -3.193 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.134 -2.545 6.408 1.00 0.00 H new ATOM 582 N THR A 114 -4.708 -4.031 7.493 1.00 0.00 N ATOM 583 CA THR A 114 -3.441 -4.009 6.768 1.00 0.00 C ATOM 584 C THR A 114 -3.657 -3.664 5.298 1.00 0.00 C ATOM 585 O THR A 114 -4.478 -4.279 4.620 1.00 0.00 O ATOM 586 CB THR A 114 -2.738 -5.361 6.888 1.00 0.00 C ATOM 587 OG1 THR A 114 -2.956 -5.928 8.168 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.241 -5.277 6.672 1.00 0.00 C ATOM 0 H THR A 114 -4.755 -4.728 8.236 1.00 0.00 H new ATOM 0 HA THR A 114 -2.812 -3.238 7.213 1.00 0.00 H new ATOM 0 HB THR A 114 -3.169 -5.982 6.103 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.500 -6.793 8.224 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.803 -6.270 6.771 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.039 -4.889 5.674 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.803 -4.612 7.416 1.00 0.00 H new ATOM 596 N LEU A 115 -2.911 -2.677 4.814 1.00 0.00 N ATOM 597 CA LEU A 115 -3.017 -2.249 3.424 1.00 0.00 C ATOM 598 C LEU A 115 -1.964 -2.938 2.564 1.00 0.00 C ATOM 599 O LEU A 115 -2.237 -3.950 1.920 1.00 0.00 O ATOM 600 CB LEU A 115 -2.857 -0.731 3.321 1.00 0.00 C ATOM 601 CG LEU A 115 -4.024 0.085 3.878 1.00 0.00 C ATOM 602 CD1 LEU A 115 -3.536 1.428 4.397 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.092 0.279 2.811 1.00 0.00 C ATOM 0 H LEU A 115 -2.226 -2.158 5.364 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.005 -2.530 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.948 -0.441 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.717 -0.467 2.273 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.464 -0.464 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.380 1.995 4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.806 1.268 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.071 1.985 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.916 0.862 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.664 0.808 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.462 -0.693 2.486 1.00 0.00 H new ATOM 615 N CYS A 116 -0.757 -2.381 2.563 1.00 0.00 N ATOM 616 CA CYS A 116 0.342 -2.938 1.786 1.00 0.00 C ATOM 617 C CYS A 116 1.603 -3.043 2.636 1.00 0.00 C ATOM 618 O CYS A 116 1.558 -2.868 3.854 1.00 0.00 O ATOM 619 CB CYS A 116 0.611 -2.075 0.552 1.00 0.00 C ATOM 620 SG CYS A 116 0.011 -0.375 0.695 1.00 0.00 S ATOM 0 H CYS A 116 -0.516 -1.543 3.093 1.00 0.00 H new ATOM 0 HA CYS A 116 0.058 -3.939 1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 116 1.684 -2.055 0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.143 -2.543 -0.314 1.00 0.00 H new ATOM 0 HG CYS A 116 0.630 0.377 -0.166 1.00 0.00 H new ATOM 626 N ILE A 117 2.729 -3.327 1.989 1.00 0.00 N ATOM 627 CA ILE A 117 3.999 -3.451 2.693 1.00 0.00 C ATOM 628 C ILE A 117 4.945 -2.312 2.329 1.00 0.00 C ATOM 629 O ILE A 117 5.254 -2.097 1.156 1.00 0.00 O ATOM 630 CB ILE A 117 4.696 -4.790 2.378 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.687 -5.809 1.841 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.398 -5.332 3.614 1.00 0.00 C ATOM 633 CD1 ILE A 117 4.224 -7.223 1.793 1.00 0.00 C ATOM 0 H ILE A 117 2.787 -3.475 0.981 1.00 0.00 H new ATOM 0 HA ILE A 117 3.768 -3.409 3.757 1.00 0.00 H new ATOM 0 HB ILE A 117 5.447 -4.613 1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.795 -5.789 2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.380 -5.511 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.884 -6.277 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.147 -4.615 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.667 -5.493 4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.456 -7.891 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.099 -7.258 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.504 -7.540 2.798 1.00 0.00 H new ATOM 645 N VAL A 118 5.404 -1.591 3.346 1.00 0.00 N ATOM 646 CA VAL A 118 6.326 -0.480 3.146 1.00 0.00 C ATOM 647 C VAL A 118 7.680 -0.802 3.764 1.00 0.00 C ATOM 648 O VAL A 118 8.028 -0.283 4.825 1.00 0.00 O ATOM 649 CB VAL A 118 5.783 0.822 3.767 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.800 1.946 3.633 1.00 0.00 C ATOM 651 CG2 VAL A 118 4.462 1.210 3.121 1.00 0.00 C ATOM 0 H VAL A 118 5.151 -1.757 4.320 1.00 0.00 H new ATOM 0 HA VAL A 118 6.435 -0.333 2.071 1.00 0.00 H new ATOM 0 HB VAL A 118 5.607 0.649 4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.397 2.856 4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.720 1.667 4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 118 7.012 2.121 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.093 2.131 3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.611 1.363 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.734 0.414 3.276 1.00 0.00 H new ATOM 661 N GLU A 119 8.435 -1.671 3.101 1.00 0.00 N ATOM 662 CA GLU A 119 9.747 -2.072 3.598 1.00 0.00 C ATOM 663 C GLU A 119 10.666 -0.869 3.766 1.00 0.00 C ATOM 664 O GLU A 119 11.393 -0.495 2.845 1.00 0.00 O ATOM 665 CB GLU A 119 10.389 -3.099 2.663 1.00 0.00 C ATOM 666 CG GLU A 119 10.247 -2.757 1.191 1.00 0.00 C ATOM 667 CD GLU A 119 11.334 -3.383 0.340 1.00 0.00 C ATOM 668 OE1 GLU A 119 11.463 -4.624 0.358 1.00 0.00 O ATOM 669 OE2 GLU A 119 12.058 -2.630 -0.346 1.00 0.00 O ATOM 0 H GLU A 119 8.163 -2.110 2.221 1.00 0.00 H new ATOM 0 HA GLU A 119 9.603 -2.530 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.448 -3.186 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.939 -4.075 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.273 -3.094 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.274 -1.674 1.069 1.00 0.00 H new ATOM 676 N ALA A 120 10.632 -0.274 4.952 1.00 0.00 N ATOM 677 CA ALA A 120 11.466 0.880 5.253 1.00 0.00 C ATOM 678 C ALA A 120 12.762 0.440 5.923 1.00 0.00 C ATOM 679 O ALA A 120 12.741 -0.133 7.011 1.00 0.00 O ATOM 680 CB ALA A 120 10.715 1.861 6.141 1.00 0.00 C ATOM 0 H ALA A 120 10.034 -0.573 5.722 1.00 0.00 H new ATOM 0 HA ALA A 120 11.714 1.381 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.353 2.718 6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.814 2.199 5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.440 1.370 7.074 1.00 0.00 H new ATOM 686 N MET A 121 13.884 0.700 5.256 1.00 0.00 N ATOM 687 CA MET A 121 15.196 0.322 5.772 1.00 0.00 C ATOM 688 C MET A 121 15.580 -1.075 5.294 1.00 0.00 C ATOM 689 O MET A 121 16.756 -1.358 5.064 1.00 0.00 O ATOM 690 CB MET A 121 15.215 0.387 7.307 1.00 0.00 C ATOM 691 CG MET A 121 14.965 -0.953 7.991 1.00 0.00 C ATOM 692 SD MET A 121 16.478 -1.908 8.219 1.00 0.00 S ATOM 693 CE MET A 121 16.905 -1.470 9.902 1.00 0.00 C ATOM 0 H MET A 121 13.910 1.173 4.353 1.00 0.00 H new ATOM 0 HA MET A 121 15.929 1.032 5.388 1.00 0.00 H new ATOM 0 HB2 MET A 121 16.181 0.774 7.631 1.00 0.00 H new ATOM 0 HB3 MET A 121 14.459 1.099 7.639 1.00 0.00 H new ATOM 0 HG2 MET A 121 14.499 -0.780 8.961 1.00 0.00 H new ATOM 0 HG3 MET A 121 14.259 -1.534 7.397 1.00 0.00 H new ATOM 0 HE1 MET A 121 17.822 -1.984 10.190 1.00 0.00 H new ATOM 0 HE2 MET A 121 17.055 -0.393 9.971 1.00 0.00 H new ATOM 0 HE3 MET A 121 16.098 -1.767 10.571 1.00 0.00 H new ATOM 703 N LYS A 122 14.573 -1.936 5.144 1.00 0.00 N ATOM 704 CA LYS A 122 14.779 -3.312 4.691 1.00 0.00 C ATOM 705 C LYS A 122 13.716 -4.244 5.269 1.00 0.00 C ATOM 706 O LYS A 122 13.570 -5.383 4.824 1.00 0.00 O ATOM 707 CB LYS A 122 16.170 -3.813 5.092 1.00 0.00 C ATOM 708 CG LYS A 122 16.299 -5.328 5.078 1.00 0.00 C ATOM 709 CD LYS A 122 15.828 -5.938 6.389 1.00 0.00 C ATOM 710 CE LYS A 122 16.762 -7.041 6.859 1.00 0.00 C ATOM 711 NZ LYS A 122 16.738 -8.196 5.965 1.00 0.00 N ATOM 0 H LYS A 122 13.598 -1.702 5.332 1.00 0.00 H new ATOM 0 HA LYS A 122 14.697 -3.316 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.910 -3.388 4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.405 -3.446 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 122 15.714 -5.737 4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 122 17.338 -5.604 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.768 -5.162 7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.823 -6.340 6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 122 17.779 -6.653 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 122 16.477 -7.354 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 17.363 -8.938 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 15.767 -8.562 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 17.067 -7.911 5.021 1.00 0.00 H new ATOM 722 N MET A 123 12.979 -3.760 6.267 1.00 0.00 N ATOM 723 CA MET A 123 11.939 -4.560 6.904 1.00 0.00 C ATOM 724 C MET A 123 10.550 -4.085 6.493 1.00 0.00 C ATOM 725 O MET A 123 10.267 -2.889 6.490 1.00 0.00 O ATOM 726 CB MET A 123 12.083 -4.502 8.424 1.00 0.00 C ATOM 727 CG MET A 123 11.344 -3.339 9.068 1.00 0.00 C ATOM 728 SD MET A 123 12.139 -2.764 10.580 1.00 0.00 S ATOM 729 CE MET A 123 11.119 -1.348 10.983 1.00 0.00 C ATOM 0 H MET A 123 13.083 -2.820 6.650 1.00 0.00 H new ATOM 0 HA MET A 123 12.058 -5.592 6.573 1.00 0.00 H new ATOM 0 HB2 MET A 123 11.714 -5.435 8.850 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.141 -4.432 8.677 1.00 0.00 H new ATOM 0 HG2 MET A 123 11.283 -2.514 8.358 1.00 0.00 H new ATOM 0 HG3 MET A 123 10.322 -3.643 9.292 1.00 0.00 H new ATOM 0 HE1 MET A 123 11.486 -0.884 11.898 1.00 0.00 H new ATOM 0 HE2 MET A 123 11.160 -0.626 10.168 1.00 0.00 H new ATOM 0 HE3 MET A 123 10.088 -1.672 11.129 1.00 0.00 H new ATOM 739 N MET A 124 9.689 -5.038 6.153 1.00 0.00 N ATOM 740 CA MET A 124 8.326 -4.729 5.741 1.00 0.00 C ATOM 741 C MET A 124 7.605 -3.905 6.801 1.00 0.00 C ATOM 742 O MET A 124 7.649 -4.226 7.989 1.00 0.00 O ATOM 743 CB MET A 124 7.553 -6.021 5.471 1.00 0.00 C ATOM 744 CG MET A 124 7.960 -7.173 6.376 1.00 0.00 C ATOM 745 SD MET A 124 6.649 -8.394 6.577 1.00 0.00 S ATOM 746 CE MET A 124 5.448 -7.450 7.511 1.00 0.00 C ATOM 0 H MET A 124 9.912 -6.033 6.155 1.00 0.00 H new ATOM 0 HA MET A 124 8.375 -4.140 4.825 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.487 -5.830 5.597 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.704 -6.315 4.432 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.844 -7.659 5.964 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.239 -6.781 7.354 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.840 -8.127 8.111 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.966 -6.750 8.167 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.806 -6.898 6.825 1.00 0.00 H new ATOM 756 N ASN A 125 6.937 -2.844 6.362 1.00 0.00 N ATOM 757 CA ASN A 125 6.201 -1.973 7.269 1.00 0.00 C ATOM 758 C ASN A 125 4.722 -1.937 6.899 1.00 0.00 C ATOM 759 O ASN A 125 4.212 -0.918 6.436 1.00 0.00 O ATOM 760 CB ASN A 125 6.781 -0.559 7.239 1.00 0.00 C ATOM 761 CG ASN A 125 6.662 0.145 8.577 1.00 0.00 C ATOM 762 OD1 ASN A 125 6.238 1.298 8.649 1.00 0.00 O ATOM 763 ND2 ASN A 125 7.037 -0.548 9.646 1.00 0.00 N ATOM 0 H ASN A 125 6.890 -2.567 5.382 1.00 0.00 H new ATOM 0 HA ASN A 125 6.298 -2.373 8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.831 -0.606 6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.266 0.026 6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 125 6.979 -0.127 10.573 1.00 0.00 H new ATOM 0 HD22 ASN A 125 7.383 -1.502 9.540 1.00 0.00 H new ATOM 770 N GLN A 126 4.041 -3.060 7.102 1.00 0.00 N ATOM 771 CA GLN A 126 2.621 -3.160 6.787 1.00 0.00 C ATOM 772 C GLN A 126 1.874 -1.910 7.244 1.00 0.00 C ATOM 773 O GLN A 126 2.039 -1.455 8.377 1.00 0.00 O ATOM 774 CB GLN A 126 2.017 -4.401 7.446 1.00 0.00 C ATOM 775 CG GLN A 126 1.907 -4.296 8.958 1.00 0.00 C ATOM 776 CD GLN A 126 2.562 -5.462 9.672 1.00 0.00 C ATOM 777 OE1 GLN A 126 3.210 -6.302 9.048 1.00 0.00 O ATOM 778 NE2 GLN A 126 2.395 -5.520 10.989 1.00 0.00 N ATOM 0 H GLN A 126 4.450 -3.913 7.483 1.00 0.00 H new ATOM 0 HA GLN A 126 2.519 -3.247 5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.025 -4.577 7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 126 2.627 -5.269 7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 126 2.369 -3.366 9.289 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.855 -4.247 9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.850 -4.802 11.466 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.812 -6.283 11.523 1.00 0.00 H new ATOM 787 N ILE A 127 1.056 -1.360 6.356 1.00 0.00 N ATOM 788 CA ILE A 127 0.285 -0.163 6.665 1.00 0.00 C ATOM 789 C ILE A 127 -1.119 -0.518 7.142 1.00 0.00 C ATOM 790 O ILE A 127 -1.684 -1.534 6.736 1.00 0.00 O ATOM 791 CB ILE A 127 0.178 0.768 5.441 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.568 1.084 4.890 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.557 2.047 5.810 1.00 0.00 C ATOM 794 CD1 ILE A 127 1.542 1.903 3.618 1.00 0.00 C ATOM 0 H ILE A 127 0.909 -1.724 5.415 1.00 0.00 H new ATOM 0 HA ILE A 127 0.816 0.356 7.463 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.391 0.258 4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 127 2.137 1.623 5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 127 2.096 0.149 4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.624 2.693 4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.560 1.802 6.158 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.014 2.563 6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 127 2.563 2.089 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.001 1.357 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 127 1.043 2.853 3.807 1.00 0.00 H new ATOM 806 N GLU A 128 -1.677 0.325 8.004 1.00 0.00 N ATOM 807 CA GLU A 128 -3.016 0.102 8.535 1.00 0.00 C ATOM 808 C GLU A 128 -4.006 1.102 7.950 1.00 0.00 C ATOM 809 O GLU A 128 -3.747 2.305 7.926 1.00 0.00 O ATOM 810 CB GLU A 128 -3.006 0.207 10.061 1.00 0.00 C ATOM 811 CG GLU A 128 -2.907 -1.138 10.763 1.00 0.00 C ATOM 812 CD GLU A 128 -1.543 -1.779 10.603 1.00 0.00 C ATOM 813 OE1 GLU A 128 -0.532 -1.046 10.645 1.00 0.00 O ATOM 814 OE2 GLU A 128 -1.484 -3.016 10.435 1.00 0.00 O ATOM 0 H GLU A 128 -1.222 1.170 8.350 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.331 -0.902 8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -2.166 0.831 10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -3.915 0.712 10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -3.121 -1.007 11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -3.669 -1.809 10.365 1.00 0.00 H new ATOM 821 N ALA A 129 -5.141 0.597 7.479 1.00 0.00 N ATOM 822 CA ALA A 129 -6.170 1.447 6.893 1.00 0.00 C ATOM 823 C ALA A 129 -6.416 2.684 7.750 1.00 0.00 C ATOM 824 O ALA A 129 -6.963 2.592 8.849 1.00 0.00 O ATOM 825 CB ALA A 129 -7.462 0.663 6.714 1.00 0.00 C ATOM 0 H ALA A 129 -5.371 -0.397 7.492 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.819 1.778 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.222 1.310 6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.284 -0.186 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.807 0.304 7.684 1.00 0.00 H new ATOM 831 N ASP A 130 -6.009 3.841 7.240 1.00 0.00 N ATOM 832 CA ASP A 130 -6.186 5.098 7.959 1.00 0.00 C ATOM 833 C ASP A 130 -7.663 5.470 8.044 1.00 0.00 C ATOM 834 O ASP A 130 -8.069 6.258 8.898 1.00 0.00 O ATOM 835 CB ASP A 130 -5.404 6.219 7.271 1.00 0.00 C ATOM 836 CG ASP A 130 -4.078 6.500 7.950 1.00 0.00 C ATOM 837 OD1 ASP A 130 -3.810 5.889 9.006 1.00 0.00 O ATOM 838 OD2 ASP A 130 -3.307 7.331 7.425 1.00 0.00 O ATOM 0 H ASP A 130 -5.554 3.935 6.332 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.803 4.967 8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -5.226 5.948 6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -6.006 7.128 7.265 1.00 0.00 H new ATOM 843 N LYS A 131 -8.463 4.894 7.152 1.00 0.00 N ATOM 844 CA LYS A 131 -9.897 5.162 7.124 1.00 0.00 C ATOM 845 C LYS A 131 -10.577 4.355 6.022 1.00 0.00 C ATOM 846 O LYS A 131 -10.065 4.256 4.906 1.00 0.00 O ATOM 847 CB LYS A 131 -10.155 6.655 6.913 1.00 0.00 C ATOM 848 CG LYS A 131 -10.179 7.069 5.450 1.00 0.00 C ATOM 849 CD LYS A 131 -11.600 7.153 4.916 1.00 0.00 C ATOM 850 CE LYS A 131 -12.226 8.508 5.207 1.00 0.00 C ATOM 851 NZ LYS A 131 -13.459 8.734 4.403 1.00 0.00 N ATOM 0 H LYS A 131 -8.143 4.239 6.439 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.317 4.861 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -11.108 6.919 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -9.383 7.225 7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -9.689 8.036 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -9.609 6.352 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.597 6.976 3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.206 6.367 5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -12.467 8.576 6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -11.503 9.295 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -13.855 9.668 4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -13.225 8.694 3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -14.159 7.998 4.626 1.00 0.00 H new ATOM 865 N SER A 132 -11.731 3.782 6.341 1.00 0.00 N ATOM 866 CA SER A 132 -12.480 2.988 5.375 1.00 0.00 C ATOM 867 C SER A 132 -12.464 3.650 4.001 1.00 0.00 C ATOM 868 O SER A 132 -12.800 4.826 3.863 1.00 0.00 O ATOM 869 CB SER A 132 -13.923 2.798 5.848 1.00 0.00 C ATOM 870 OG SER A 132 -14.722 2.223 4.829 1.00 0.00 O ATOM 0 H SER A 132 -12.168 3.852 7.260 1.00 0.00 H new ATOM 0 HA SER A 132 -12.002 2.012 5.294 1.00 0.00 H new ATOM 0 HB2 SER A 132 -13.938 2.159 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 132 -14.342 3.760 6.144 1.00 0.00 H new ATOM 0 HG SER A 132 -15.639 2.110 5.157 1.00 0.00 H new ATOM 876 N GLY A 133 -12.068 2.887 2.987 1.00 0.00 N ATOM 877 CA GLY A 133 -12.013 3.420 1.639 1.00 0.00 C ATOM 878 C GLY A 133 -11.977 2.332 0.582 1.00 0.00 C ATOM 879 O GLY A 133 -12.021 1.144 0.901 1.00 0.00 O ATOM 0 H GLY A 133 -11.785 1.911 3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.880 4.058 1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -11.129 4.050 1.537 1.00 0.00 H new ATOM 883 N THR A 134 -11.904 2.741 -0.679 1.00 0.00 N ATOM 884 CA THR A 134 -11.868 1.795 -1.790 1.00 0.00 C ATOM 885 C THR A 134 -10.714 2.097 -2.742 1.00 0.00 C ATOM 886 O THR A 134 -10.753 3.079 -3.484 1.00 0.00 O ATOM 887 CB THR A 134 -13.187 1.839 -2.559 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.289 1.762 -1.672 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.327 0.720 -3.569 1.00 0.00 C ATOM 0 H THR A 134 -11.869 3.721 -0.959 1.00 0.00 H new ATOM 0 HA THR A 134 -11.718 0.799 -1.373 1.00 0.00 H new ATOM 0 HB THR A 134 -13.179 2.789 -3.093 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.124 1.793 -2.184 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.285 0.809 -4.080 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.519 0.785 -4.298 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.277 -0.241 -3.057 1.00 0.00 H new ATOM 897 N VAL A 135 -9.695 1.242 -2.731 1.00 0.00 N ATOM 898 CA VAL A 135 -8.547 1.424 -3.610 1.00 0.00 C ATOM 899 C VAL A 135 -9.017 1.671 -5.039 1.00 0.00 C ATOM 900 O VAL A 135 -10.022 1.105 -5.472 1.00 0.00 O ATOM 901 CB VAL A 135 -7.609 0.201 -3.585 1.00 0.00 C ATOM 902 CG1 VAL A 135 -8.401 -1.090 -3.726 1.00 0.00 C ATOM 903 CG2 VAL A 135 -6.558 0.313 -4.679 1.00 0.00 C ATOM 0 H VAL A 135 -9.642 0.422 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.990 2.288 -3.247 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.099 0.180 -2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -7.718 -1.940 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -9.110 -1.174 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -8.943 -1.083 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.905 -0.559 -4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -7.049 0.363 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.967 1.216 -4.524 1.00 0.00 H new ATOM 913 N LYS A 136 -8.304 2.522 -5.767 1.00 0.00 N ATOM 914 CA LYS A 136 -8.681 2.837 -7.137 1.00 0.00 C ATOM 915 C LYS A 136 -7.556 2.519 -8.111 1.00 0.00 C ATOM 916 O LYS A 136 -7.791 2.365 -9.310 1.00 0.00 O ATOM 917 CB LYS A 136 -9.069 4.309 -7.247 1.00 0.00 C ATOM 918 CG LYS A 136 -10.357 4.648 -6.516 1.00 0.00 C ATOM 919 CD LYS A 136 -11.572 4.098 -7.245 1.00 0.00 C ATOM 920 CE LYS A 136 -12.612 5.179 -7.489 1.00 0.00 C ATOM 921 NZ LYS A 136 -13.992 4.693 -7.210 1.00 0.00 N ATOM 0 H LYS A 136 -7.468 3.002 -5.434 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.538 2.217 -7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -8.261 4.921 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -9.177 4.571 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -10.322 4.240 -5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -10.448 5.730 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.262 3.668 -8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -12.014 3.292 -6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -12.396 6.041 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -12.548 5.518 -8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -14.644 5.502 -7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -14.290 4.043 -7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -14.006 4.194 -6.298 1.00 0.00 H new ATOM 935 N ALA A 137 -6.334 2.425 -7.600 1.00 0.00 N ATOM 936 CA ALA A 137 -5.191 2.129 -8.451 1.00 0.00 C ATOM 937 C ALA A 137 -3.880 2.181 -7.676 1.00 0.00 C ATOM 938 O ALA A 137 -3.853 2.533 -6.497 1.00 0.00 O ATOM 939 CB ALA A 137 -5.153 3.105 -9.614 1.00 0.00 C ATOM 0 H ALA A 137 -6.112 2.548 -6.612 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.306 1.113 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.296 2.881 -10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -6.070 3.013 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.066 4.122 -9.233 1.00 0.00 H new ATOM 945 N ILE A 138 -2.792 1.828 -8.355 1.00 0.00 N ATOM 946 CA ILE A 138 -1.470 1.831 -7.744 1.00 0.00 C ATOM 947 C ILE A 138 -0.494 2.668 -8.565 1.00 0.00 C ATOM 948 O ILE A 138 0.235 2.140 -9.406 1.00 0.00 O ATOM 949 CB ILE A 138 -0.914 0.402 -7.606 1.00 0.00 C ATOM 950 CG1 ILE A 138 -2.059 -0.609 -7.528 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.024 0.298 -6.380 1.00 0.00 C ATOM 952 CD1 ILE A 138 -2.925 -0.445 -6.298 1.00 0.00 C ATOM 0 H ILE A 138 -2.802 1.536 -9.332 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.577 2.268 -6.751 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.314 0.174 -8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.682 -0.510 -8.417 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.645 -1.617 -7.539 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.362 -0.718 -6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.808 0.995 -6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.602 0.542 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.717 -1.194 -6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.315 -0.573 -5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.368 0.551 -6.295 1.00 0.00 H new ATOM 964 N LEU A 139 -0.485 3.973 -8.318 1.00 0.00 N ATOM 965 CA LEU A 139 0.402 4.881 -9.038 1.00 0.00 C ATOM 966 C LEU A 139 1.838 4.372 -9.006 1.00 0.00 C ATOM 967 O LEU A 139 2.658 4.741 -9.848 1.00 0.00 O ATOM 968 CB LEU A 139 0.336 6.284 -8.432 1.00 0.00 C ATOM 969 CG LEU A 139 -1.061 6.750 -8.024 1.00 0.00 C ATOM 970 CD1 LEU A 139 -1.066 8.247 -7.754 1.00 0.00 C ATOM 971 CD2 LEU A 139 -2.076 6.396 -9.101 1.00 0.00 C ATOM 0 H LEU A 139 -1.081 4.426 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 139 0.070 4.925 -10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.983 6.315 -7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.742 6.994 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.342 6.235 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.069 8.561 -7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.368 8.474 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.765 8.780 -8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -3.065 6.735 -8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.799 6.883 -10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.091 5.316 -9.246 1.00 0.00 H new ATOM 983 N VAL A 140 2.136 3.526 -8.029 1.00 0.00 N ATOM 984 CA VAL A 140 3.473 2.967 -7.882 1.00 0.00 C ATOM 985 C VAL A 140 3.500 1.494 -8.263 1.00 0.00 C ATOM 986 O VAL A 140 2.502 0.788 -8.121 1.00 0.00 O ATOM 987 CB VAL A 140 3.979 3.108 -6.437 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.281 2.345 -6.250 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.154 4.575 -6.073 1.00 0.00 C ATOM 0 H VAL A 140 1.468 3.211 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 140 4.124 3.528 -8.553 1.00 0.00 H new ATOM 0 HB VAL A 140 3.234 2.678 -5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.624 2.457 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.118 1.289 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.036 2.742 -6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.513 4.655 -5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.878 5.033 -6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.197 5.089 -6.164 1.00 0.00 H new ATOM 999 N GLU A 141 4.653 1.030 -8.734 1.00 0.00 N ATOM 1000 CA GLU A 141 4.806 -0.365 -9.115 1.00 0.00 C ATOM 1001 C GLU A 141 4.642 -1.258 -7.893 1.00 0.00 C ATOM 1002 O GLU A 141 5.176 -0.961 -6.825 1.00 0.00 O ATOM 1003 CB GLU A 141 6.173 -0.599 -9.762 1.00 0.00 C ATOM 1004 CG GLU A 141 6.308 0.024 -11.142 1.00 0.00 C ATOM 1005 CD GLU A 141 7.375 -0.648 -11.984 1.00 0.00 C ATOM 1006 OE1 GLU A 141 8.287 -1.270 -11.400 1.00 0.00 O ATOM 1007 OE2 GLU A 141 7.298 -0.552 -13.227 1.00 0.00 O ATOM 0 H GLU A 141 5.490 1.599 -8.860 1.00 0.00 H new ATOM 0 HA GLU A 141 4.034 -0.614 -9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.948 -0.193 -9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.351 -1.672 -9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.350 -0.037 -11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 141 6.547 1.082 -11.037 1.00 0.00 H new ATOM 1014 N SER A 142 3.891 -2.342 -8.052 1.00 0.00 N ATOM 1015 CA SER A 142 3.643 -3.270 -6.955 1.00 0.00 C ATOM 1016 C SER A 142 4.828 -3.343 -6.005 1.00 0.00 C ATOM 1017 O SER A 142 4.702 -3.025 -4.827 1.00 0.00 O ATOM 1018 CB SER A 142 3.336 -4.663 -7.487 1.00 0.00 C ATOM 1019 OG SER A 142 3.714 -4.790 -8.847 1.00 0.00 O ATOM 0 H SER A 142 3.443 -2.600 -8.931 1.00 0.00 H new ATOM 0 HA SER A 142 2.781 -2.893 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.863 -5.407 -6.890 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.270 -4.868 -7.383 1.00 0.00 H new ATOM 0 HG SER A 142 3.507 -5.695 -9.161 1.00 0.00 H new ATOM 1025 N GLY A 143 5.977 -3.769 -6.518 1.00 0.00 N ATOM 1026 CA GLY A 143 7.158 -3.879 -5.686 1.00 0.00 C ATOM 1027 C GLY A 143 8.339 -3.113 -6.237 1.00 0.00 C ATOM 1028 O GLY A 143 8.992 -3.558 -7.181 1.00 0.00 O ATOM 0 H GLY A 143 6.110 -4.039 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 143 6.927 -3.511 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.428 -4.930 -5.585 1.00 0.00 H new ATOM 1032 N GLN A 144 8.615 -1.961 -5.641 1.00 0.00 N ATOM 1033 CA GLN A 144 9.731 -1.131 -6.073 1.00 0.00 C ATOM 1034 C GLN A 144 9.974 0.018 -5.099 1.00 0.00 C ATOM 1035 O GLN A 144 9.061 0.460 -4.401 1.00 0.00 O ATOM 1036 CB GLN A 144 9.476 -0.581 -7.478 1.00 0.00 C ATOM 1037 CG GLN A 144 8.566 0.637 -7.500 1.00 0.00 C ATOM 1038 CD GLN A 144 8.639 1.393 -8.812 1.00 0.00 C ATOM 1039 OE1 GLN A 144 9.120 0.871 -9.817 1.00 0.00 O ATOM 1040 NE2 GLN A 144 8.161 2.632 -8.809 1.00 0.00 N ATOM 0 H GLN A 144 8.083 -1.581 -4.859 1.00 0.00 H new ATOM 0 HA GLN A 144 10.623 -1.757 -6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 144 10.430 -0.319 -7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 144 9.033 -1.366 -8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.538 0.321 -7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 144 8.839 1.305 -6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 144 7.771 3.026 -7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 144 8.184 3.190 -9.663 1.00 0.00 H new ATOM 1049 N PRO A 145 11.218 0.515 -5.042 1.00 0.00 N ATOM 1050 CA PRO A 145 11.594 1.618 -4.151 1.00 0.00 C ATOM 1051 C PRO A 145 10.909 2.928 -4.522 1.00 0.00 C ATOM 1052 O PRO A 145 10.770 3.258 -5.701 1.00 0.00 O ATOM 1053 CB PRO A 145 13.110 1.735 -4.340 1.00 0.00 C ATOM 1054 CG PRO A 145 13.377 1.127 -5.674 1.00 0.00 C ATOM 1055 CD PRO A 145 12.357 0.038 -5.844 1.00 0.00 C ATOM 0 HA PRO A 145 11.294 1.424 -3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.433 2.775 -4.308 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.648 1.210 -3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 145 13.290 1.871 -6.466 1.00 0.00 H new ATOM 0 HG3 PRO A 145 14.389 0.725 -5.724 1.00 0.00 H new ATOM 0 HD2 PRO A 145 12.084 -0.098 -6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.729 -0.922 -5.484 1.00 0.00 H new ATOM 1063 N VAL A 146 10.486 3.673 -3.507 1.00 0.00 N ATOM 1064 CA VAL A 146 9.817 4.951 -3.720 1.00 0.00 C ATOM 1065 C VAL A 146 10.444 6.043 -2.860 1.00 0.00 C ATOM 1066 O VAL A 146 11.479 5.830 -2.228 1.00 0.00 O ATOM 1067 CB VAL A 146 8.314 4.859 -3.399 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.625 3.887 -4.346 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.100 4.446 -1.950 1.00 0.00 C ATOM 0 H VAL A 146 10.595 3.413 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 146 9.939 5.203 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 146 7.870 5.845 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.563 3.835 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.747 4.231 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.071 2.898 -4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.032 4.387 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.558 3.472 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.557 5.183 -1.290 1.00 0.00 H new ATOM 1079 N GLU A 147 9.812 7.211 -2.839 1.00 0.00 N ATOM 1080 CA GLU A 147 10.313 8.334 -2.054 1.00 0.00 C ATOM 1081 C GLU A 147 9.207 8.934 -1.192 1.00 0.00 C ATOM 1082 O GLU A 147 8.074 9.099 -1.644 1.00 0.00 O ATOM 1083 CB GLU A 147 10.897 9.407 -2.973 1.00 0.00 C ATOM 1084 CG GLU A 147 12.152 10.062 -2.421 1.00 0.00 C ATOM 1085 CD GLU A 147 11.862 11.361 -1.695 1.00 0.00 C ATOM 1086 OE1 GLU A 147 10.948 12.093 -2.132 1.00 0.00 O ATOM 1087 OE2 GLU A 147 12.546 11.645 -0.689 1.00 0.00 O ATOM 0 H GLU A 147 8.954 7.405 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 147 11.099 7.961 -1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.126 8.960 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 147 10.143 10.175 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 147 12.647 9.372 -1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 147 12.846 10.255 -3.239 1.00 0.00 H new ATOM 1094 N PHE A 148 9.547 9.260 0.051 1.00 0.00 N ATOM 1095 CA PHE A 148 8.588 9.846 0.980 1.00 0.00 C ATOM 1096 C PHE A 148 7.626 10.781 0.247 1.00 0.00 C ATOM 1097 O PHE A 148 8.051 11.757 -0.371 1.00 0.00 O ATOM 1098 CB PHE A 148 9.329 10.605 2.083 1.00 0.00 C ATOM 1099 CG PHE A 148 8.422 11.288 3.066 1.00 0.00 C ATOM 1100 CD1 PHE A 148 7.077 10.945 3.148 1.00 0.00 C ATOM 1101 CD2 PHE A 148 8.915 12.275 3.912 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.240 11.576 4.056 1.00 0.00 C ATOM 1103 CE2 PHE A 148 8.084 12.909 4.821 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.744 12.559 4.893 1.00 0.00 C ATOM 0 H PHE A 148 10.481 9.128 0.438 1.00 0.00 H new ATOM 0 HA PHE A 148 8.005 9.043 1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.973 9.909 2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 148 9.979 11.350 1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 148 6.680 10.179 2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 148 9.958 12.551 3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.197 11.302 4.111 1.00 0.00 H new ATOM 0 HE2 PHE A 148 8.479 13.675 5.472 1.00 0.00 H new ATOM 0 HZ PHE A 148 6.094 13.052 5.601 1.00 0.00 H new ATOM 1114 N ASP A 149 6.333 10.470 0.313 1.00 0.00 N ATOM 1115 CA ASP A 149 5.316 11.280 -0.354 1.00 0.00 C ATOM 1116 C ASP A 149 5.144 10.836 -1.801 1.00 0.00 C ATOM 1117 O ASP A 149 4.824 11.641 -2.675 1.00 0.00 O ATOM 1118 CB ASP A 149 5.691 12.762 -0.298 1.00 0.00 C ATOM 1119 CG ASP A 149 4.480 13.669 -0.401 1.00 0.00 C ATOM 1120 OD1 ASP A 149 3.662 13.675 0.543 1.00 0.00 O ATOM 1121 OD2 ASP A 149 4.350 14.372 -1.425 1.00 0.00 O ATOM 0 H ASP A 149 5.965 9.665 0.820 1.00 0.00 H new ATOM 0 HA ASP A 149 4.370 11.139 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.216 12.966 0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.382 12.990 -1.109 1.00 0.00 H new ATOM 1126 N GLU A 150 5.355 9.548 -2.041 1.00 0.00 N ATOM 1127 CA GLU A 150 5.221 8.988 -3.378 1.00 0.00 C ATOM 1128 C GLU A 150 3.958 8.140 -3.482 1.00 0.00 C ATOM 1129 O GLU A 150 4.023 6.911 -3.498 1.00 0.00 O ATOM 1130 CB GLU A 150 6.449 8.144 -3.727 1.00 0.00 C ATOM 1131 CG GLU A 150 6.278 7.312 -4.987 1.00 0.00 C ATOM 1132 CD GLU A 150 5.464 8.024 -6.049 1.00 0.00 C ATOM 1133 OE1 GLU A 150 5.650 9.247 -6.220 1.00 0.00 O ATOM 1134 OE2 GLU A 150 4.640 7.358 -6.712 1.00 0.00 O ATOM 0 H GLU A 150 5.620 8.871 -1.325 1.00 0.00 H new ATOM 0 HA GLU A 150 5.146 9.812 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.309 8.803 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.673 7.481 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 150 7.260 7.066 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 150 5.792 6.370 -4.733 1.00 0.00 H new ATOM 1141 N PRO A 151 2.790 8.792 -3.560 1.00 0.00 N ATOM 1142 CA PRO A 151 1.506 8.115 -3.670 1.00 0.00 C ATOM 1143 C PRO A 151 1.613 6.784 -4.404 1.00 0.00 C ATOM 1144 O PRO A 151 1.848 6.744 -5.612 1.00 0.00 O ATOM 1145 CB PRO A 151 0.686 9.124 -4.465 1.00 0.00 C ATOM 1146 CG PRO A 151 1.198 10.458 -4.018 1.00 0.00 C ATOM 1147 CD PRO A 151 2.627 10.255 -3.556 1.00 0.00 C ATOM 0 HA PRO A 151 1.075 7.851 -2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 151 0.820 8.987 -5.538 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.379 9.019 -4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.156 11.180 -4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 151 0.584 10.855 -3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.337 10.739 -4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 151 2.790 10.673 -2.563 1.00 0.00 H new ATOM 1155 N LEU A 152 1.450 5.695 -3.660 1.00 0.00 N ATOM 1156 CA LEU A 152 1.539 4.355 -4.229 1.00 0.00 C ATOM 1157 C LEU A 152 0.159 3.726 -4.384 1.00 0.00 C ATOM 1158 O LEU A 152 -0.226 3.304 -5.476 1.00 0.00 O ATOM 1159 CB LEU A 152 2.408 3.459 -3.341 1.00 0.00 C ATOM 1160 CG LEU A 152 3.461 4.187 -2.502 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.415 3.711 -1.059 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.848 3.977 -3.090 1.00 0.00 C ATOM 0 H LEU A 152 1.255 5.714 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 152 1.993 4.445 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.756 2.900 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 152 2.913 2.730 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 152 3.238 5.254 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.170 4.239 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.429 3.912 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.613 2.640 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.585 4.501 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.080 2.912 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.875 4.367 -4.108 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.573 3.654 -3.279 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.899 3.065 -3.270 1.00 0.00 C ATOM 1176 C VAL A 153 -2.985 4.136 -3.228 1.00 0.00 C ATOM 1177 O VAL A 153 -3.147 4.838 -2.229 1.00 0.00 O ATOM 1178 CB VAL A 153 -2.063 2.112 -2.068 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.389 2.692 -0.834 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.533 1.819 -1.795 1.00 0.00 C ATOM 0 H VAL A 153 -0.263 4.001 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 153 -2.010 2.499 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.577 1.168 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.514 2.007 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.326 2.833 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.843 3.652 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.617 1.145 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -4.055 2.750 -1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.980 1.352 -2.673 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.722 4.245 -4.325 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.803 5.219 -4.437 1.00 0.00 C ATOM 1192 C VAL A 154 -6.130 4.610 -3.999 1.00 0.00 C ATOM 1193 O VAL A 154 -6.382 3.424 -4.218 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.954 5.737 -5.880 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.750 7.032 -5.902 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.591 5.931 -6.527 1.00 0.00 C ATOM 0 H VAL A 154 -3.591 3.668 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.543 6.052 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.500 4.990 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.846 7.383 -6.930 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.741 6.857 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.234 7.786 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.720 6.297 -7.545 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -3.015 6.655 -5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -3.060 4.980 -6.548 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.976 5.426 -3.377 1.00 0.00 N ATOM 1207 CA ILE A 155 -8.276 4.965 -2.907 1.00 0.00 C ATOM 1208 C ILE A 155 -9.366 5.997 -3.181 1.00 0.00 C ATOM 1209 O ILE A 155 -9.112 7.201 -3.162 1.00 0.00 O ATOM 1210 CB ILE A 155 -8.244 4.658 -1.397 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -6.997 3.844 -1.045 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.503 3.918 -0.981 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -7.055 3.214 0.329 1.00 0.00 C ATOM 0 H ILE A 155 -6.784 6.410 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.504 4.052 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 155 -8.204 5.600 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -6.863 3.060 -1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -6.122 4.492 -1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.465 3.708 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -10.376 4.533 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.573 2.980 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -6.139 2.653 0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -7.158 3.994 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.910 2.540 0.385 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.582 5.517 -3.435 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.708 6.401 -3.712 1.00 0.00 C ATOM 1227 C GLU A 156 -12.089 7.200 -2.470 1.00 0.00 C ATOM 1228 O GLU A 156 -11.821 8.420 -2.446 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.911 5.592 -4.200 1.00 0.00 C ATOM 1230 CG GLU A 156 -14.172 6.422 -4.381 1.00 0.00 C ATOM 1231 CD GLU A 156 -13.886 7.801 -4.942 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -13.461 7.890 -6.113 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -14.088 8.793 -4.210 1.00 0.00 O ATOM 1234 OXT GLU A 156 -12.652 6.599 -1.530 1.00 0.00 O ATOM 0 H GLU A 156 -10.810 4.523 -3.454 1.00 0.00 H new ATOM 0 HA GLU A 156 -11.407 7.098 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -12.659 5.119 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -13.112 4.792 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -14.856 5.897 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -14.678 6.522 -3.421 1.00 0.00 H new