USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 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 81 HIS :FLIP no HD1:sc= -2.04 F(o=-7.6!,f=-2) USER MOD Set 1.2: A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 125 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 85 SER OG : rot 86:sc= -8.42! USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 92 TYR OH : rot 162:sc= 0.0977 USER MOD Single : A 94 THR OG1 : rot 52:sc= 0.00085 USER MOD Single : A 96 SER OG : rot 57:sc= 0.678 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -1.14 K(o=-1.1,f=-3) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -3.69! C(o=-3.7!,f=-5.1!) USER MOD Single : A 114 THR OG1 : rot -22:sc= 1.33 USER MOD Single : A 116 CYS SG : rot 161:sc= -3.84! USER MOD Single : A 121 MET CE :methyl -166:sc= -3.45! (180deg=-4.03!) USER MOD Single : A 122 LYS NZ :NH3+ 165:sc= -0.0382 (180deg=-0.295) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=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+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0.00687 USER MOD Single : A 144 GLN : amide:sc= -0.946 X(o=-0.95,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -9.531 11.921 -3.040 1.00 0.00 N ATOM 67 CA GLY A 80 -9.185 10.512 -3.047 1.00 0.00 C ATOM 68 C GLY A 80 -8.716 10.024 -1.691 1.00 0.00 C ATOM 69 O GLY A 80 -9.273 10.403 -0.661 1.00 0.00 O ATOM 0 HA2 GLY A 80 -10.052 9.930 -3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.401 10.337 -3.784 1.00 0.00 H new ATOM 73 N HIS A 81 -7.689 9.179 -1.690 1.00 0.00 N ATOM 74 CA HIS A 81 -7.146 8.638 -0.451 1.00 0.00 C ATOM 75 C HIS A 81 -5.961 7.721 -0.732 1.00 0.00 C ATOM 76 O HIS A 81 -6.097 6.498 -0.733 1.00 0.00 O ATOM 77 CB HIS A 81 -8.227 7.873 0.315 1.00 0.00 C ATOM 78 CG HIS A 81 -7.723 7.212 1.559 1.00 0.00 C ATOM 79 ND1 HIS A 81 -7.019 6.067 1.734 1.00 0.00 N flip ATOM 80 CD2 HIS A 81 -7.928 7.728 2.822 1.00 0.00 C flip ATOM 81 CE1 HIS A 81 -6.815 5.917 3.083 1.00 0.00 C flip ATOM 82 NE2 HIS A 81 -7.371 6.932 3.717 1.00 0.00 N flip ATOM 0 H HIS A 81 -7.217 8.855 -2.534 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.801 9.473 0.159 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.030 8.561 0.579 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.658 7.116 -0.340 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.461 8.641 3.044 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.285 5.100 3.550 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -7.371 7.077 4.727 1.00 0.00 H new ATOM 91 N ILE A 82 -4.796 8.318 -0.967 1.00 0.00 N ATOM 92 CA ILE A 82 -3.590 7.550 -1.245 1.00 0.00 C ATOM 93 C ILE A 82 -2.813 7.270 0.035 1.00 0.00 C ATOM 94 O ILE A 82 -3.254 7.618 1.131 1.00 0.00 O ATOM 95 CB ILE A 82 -2.660 8.281 -2.236 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.420 9.369 -2.988 1.00 0.00 C ATOM 97 CG2 ILE A 82 -2.038 7.291 -3.210 1.00 0.00 C ATOM 98 CD1 ILE A 82 -4.643 8.856 -3.705 1.00 0.00 C ATOM 0 H ILE A 82 -4.663 9.329 -0.970 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.917 6.611 -1.692 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.860 8.756 -1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.719 10.146 -2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.752 9.835 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.385 7.823 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.457 6.553 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.826 6.787 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.136 9.681 -4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.348 8.100 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.330 8.416 -2.983 1.00 0.00 H new ATOM 110 N VAL A 83 -1.653 6.643 -0.115 1.00 0.00 N ATOM 111 CA VAL A 83 -0.805 6.319 1.026 1.00 0.00 C ATOM 112 C VAL A 83 0.667 6.501 0.677 1.00 0.00 C ATOM 113 O VAL A 83 1.508 5.681 1.046 1.00 0.00 O ATOM 114 CB VAL A 83 -1.031 4.874 1.507 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.633 4.728 2.968 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.479 4.463 1.298 1.00 0.00 C ATOM 0 H VAL A 83 -1.277 6.348 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.078 7.004 1.829 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.400 4.211 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.800 3.700 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.422 4.978 3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.235 5.401 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.620 3.439 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.131 5.129 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.726 4.525 0.238 1.00 0.00 H new ATOM 126 N ARG A 84 0.966 7.578 -0.042 1.00 0.00 N ATOM 127 CA ARG A 84 2.334 7.875 -0.450 1.00 0.00 C ATOM 128 C ARG A 84 3.332 7.424 0.609 1.00 0.00 C ATOM 129 O ARG A 84 3.154 7.689 1.798 1.00 0.00 O ATOM 130 CB ARG A 84 2.497 9.374 -0.716 1.00 0.00 C ATOM 131 CG ARG A 84 1.379 10.222 -0.132 1.00 0.00 C ATOM 132 CD ARG A 84 1.698 11.705 -0.224 1.00 0.00 C ATOM 133 NE ARG A 84 1.966 12.291 1.086 1.00 0.00 N ATOM 134 CZ ARG A 84 1.079 12.317 2.075 1.00 0.00 C ATOM 135 NH1 ARG A 84 -0.125 11.788 1.903 1.00 0.00 N ATOM 136 NH2 ARG A 84 1.396 12.871 3.238 1.00 0.00 N ATOM 0 H ARG A 84 0.277 8.262 -0.355 1.00 0.00 H new ATOM 0 HA ARG A 84 2.537 7.325 -1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.448 9.707 -0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.543 9.540 -1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.449 10.015 -0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.219 9.947 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.564 11.850 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.862 12.227 -0.690 1.00 0.00 H new ATOM 0 HE ARG A 84 2.884 12.703 1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.371 11.360 1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.805 11.809 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.322 13.278 3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.714 12.890 3.996 1.00 0.00 H new ATOM 150 N SER A 85 4.380 6.737 0.169 1.00 0.00 N ATOM 151 CA SER A 85 5.407 6.246 1.080 1.00 0.00 C ATOM 152 C SER A 85 5.797 7.320 2.090 1.00 0.00 C ATOM 153 O SER A 85 6.523 8.259 1.765 1.00 0.00 O ATOM 154 CB SER A 85 6.639 5.794 0.296 1.00 0.00 C ATOM 155 OG SER A 85 6.269 5.143 -0.906 1.00 0.00 O ATOM 0 H SER A 85 4.541 6.508 -0.812 1.00 0.00 H new ATOM 0 HA SER A 85 4.999 5.394 1.623 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.265 6.657 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.237 5.120 0.909 1.00 0.00 H new ATOM 0 HG SER A 85 6.135 5.810 -1.611 1.00 0.00 H new ATOM 161 N PRO A 86 5.319 7.189 3.336 1.00 0.00 N ATOM 162 CA PRO A 86 5.620 8.149 4.402 1.00 0.00 C ATOM 163 C PRO A 86 7.115 8.413 4.529 1.00 0.00 C ATOM 164 O PRO A 86 7.534 9.427 5.087 1.00 0.00 O ATOM 165 CB PRO A 86 5.089 7.460 5.662 1.00 0.00 C ATOM 166 CG PRO A 86 4.018 6.546 5.171 1.00 0.00 C ATOM 167 CD PRO A 86 4.450 6.094 3.802 1.00 0.00 C ATOM 0 HA PRO A 86 5.171 9.124 4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.877 6.908 6.173 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.695 8.185 6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.894 5.695 5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.058 7.059 5.127 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.986 5.146 3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.597 5.949 3.139 1.00 0.00 H new ATOM 175 N MET A 87 7.916 7.492 4.003 1.00 0.00 N ATOM 176 CA MET A 87 9.366 7.621 4.050 1.00 0.00 C ATOM 177 C MET A 87 10.007 6.934 2.849 1.00 0.00 C ATOM 178 O MET A 87 9.354 6.171 2.137 1.00 0.00 O ATOM 179 CB MET A 87 9.912 7.022 5.347 1.00 0.00 C ATOM 180 CG MET A 87 10.138 5.520 5.278 1.00 0.00 C ATOM 181 SD MET A 87 10.433 4.786 6.898 1.00 0.00 S ATOM 182 CE MET A 87 12.130 5.278 7.190 1.00 0.00 C ATOM 0 H MET A 87 7.583 6.647 3.539 1.00 0.00 H new ATOM 0 HA MET A 87 9.615 8.682 4.018 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.854 7.511 5.595 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.217 7.239 6.158 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.269 5.046 4.822 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.990 5.314 4.630 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.458 4.897 8.157 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.767 4.871 6.405 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.199 6.366 7.186 1.00 0.00 H new ATOM 192 N VAL A 88 11.287 7.210 2.630 1.00 0.00 N ATOM 193 CA VAL A 88 12.014 6.618 1.514 1.00 0.00 C ATOM 194 C VAL A 88 12.200 5.117 1.717 1.00 0.00 C ATOM 195 O VAL A 88 13.134 4.683 2.393 1.00 0.00 O ATOM 196 CB VAL A 88 13.393 7.283 1.331 1.00 0.00 C ATOM 197 CG1 VAL A 88 14.070 7.487 2.677 1.00 0.00 C ATOM 198 CG2 VAL A 88 14.272 6.458 0.402 1.00 0.00 C ATOM 0 H VAL A 88 11.842 7.839 3.210 1.00 0.00 H new ATOM 0 HA VAL A 88 11.419 6.786 0.617 1.00 0.00 H new ATOM 0 HB VAL A 88 13.243 8.261 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.042 7.957 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.449 8.128 3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 88 14.205 6.522 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.240 6.946 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.415 5.463 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.792 6.372 -0.573 1.00 0.00 H new ATOM 208 N GLY A 89 11.306 4.330 1.128 1.00 0.00 N ATOM 209 CA GLY A 89 11.388 2.887 1.256 1.00 0.00 C ATOM 210 C GLY A 89 10.887 2.164 0.022 1.00 0.00 C ATOM 211 O GLY A 89 11.251 2.512 -1.102 1.00 0.00 O ATOM 0 H GLY A 89 10.526 4.666 0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.423 2.601 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.806 2.569 2.121 1.00 0.00 H new ATOM 215 N THR A 90 10.049 1.152 0.230 1.00 0.00 N ATOM 216 CA THR A 90 9.498 0.375 -0.874 1.00 0.00 C ATOM 217 C THR A 90 8.031 0.036 -0.622 1.00 0.00 C ATOM 218 O THR A 90 7.600 -0.087 0.524 1.00 0.00 O ATOM 219 CB THR A 90 10.304 -0.910 -1.070 1.00 0.00 C ATOM 220 OG1 THR A 90 11.689 -0.625 -1.155 1.00 0.00 O ATOM 221 CG2 THR A 90 9.917 -1.674 -2.318 1.00 0.00 C ATOM 0 H THR A 90 9.737 0.852 1.154 1.00 0.00 H new ATOM 0 HA THR A 90 9.562 0.979 -1.779 1.00 0.00 H new ATOM 0 HB THR A 90 10.080 -1.527 -0.200 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.188 -1.459 -1.279 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.526 -2.574 -2.397 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.864 -1.952 -2.263 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.081 -1.047 -3.194 1.00 0.00 H new ATOM 229 N PHE A 91 7.269 -0.116 -1.702 1.00 0.00 N ATOM 230 CA PHE A 91 5.851 -0.442 -1.595 1.00 0.00 C ATOM 231 C PHE A 91 5.552 -1.787 -2.253 1.00 0.00 C ATOM 232 O PHE A 91 6.237 -2.200 -3.192 1.00 0.00 O ATOM 233 CB PHE A 91 5.000 0.661 -2.233 1.00 0.00 C ATOM 234 CG PHE A 91 3.659 0.188 -2.721 1.00 0.00 C ATOM 235 CD1 PHE A 91 3.557 -0.564 -3.886 1.00 0.00 C ATOM 236 CD2 PHE A 91 2.499 0.491 -2.016 1.00 0.00 C ATOM 237 CE1 PHE A 91 2.323 -1.004 -4.340 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.263 0.054 -2.464 1.00 0.00 C ATOM 239 CZ PHE A 91 1.175 -0.695 -3.627 1.00 0.00 C ATOM 0 H PHE A 91 7.609 -0.019 -2.659 1.00 0.00 H new ATOM 0 HA PHE A 91 5.597 -0.514 -0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.851 1.458 -1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.549 1.092 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.449 -0.808 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.563 1.074 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.256 -1.586 -5.247 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.369 0.297 -1.908 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.213 -1.038 -3.977 1.00 0.00 H new ATOM 249 N TYR A 92 4.521 -2.461 -1.750 1.00 0.00 N ATOM 250 CA TYR A 92 4.121 -3.758 -2.280 1.00 0.00 C ATOM 251 C TYR A 92 2.611 -3.949 -2.176 1.00 0.00 C ATOM 252 O TYR A 92 1.921 -3.176 -1.512 1.00 0.00 O ATOM 253 CB TYR A 92 4.835 -4.880 -1.525 1.00 0.00 C ATOM 254 CG TYR A 92 6.333 -4.880 -1.718 1.00 0.00 C ATOM 255 CD1 TYR A 92 6.888 -4.689 -2.981 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.192 -5.070 -0.638 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.263 -4.687 -3.163 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.568 -5.069 -0.812 1.00 0.00 C ATOM 259 CZ TYR A 92 9.097 -4.878 -2.077 1.00 0.00 C ATOM 260 OH TYR A 92 10.462 -4.877 -2.253 1.00 0.00 O ATOM 0 H TYR A 92 3.948 -2.128 -0.975 1.00 0.00 H new ATOM 0 HA TYR A 92 4.403 -3.794 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.614 -4.789 -0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.435 -5.839 -1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.238 -4.540 -3.831 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.781 -5.220 0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.680 -4.537 -4.148 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.223 -5.216 0.034 1.00 0.00 H new ATOM 0 HH TYR A 92 10.903 -4.734 -1.390 1.00 0.00 H new ATOM 270 N ARG A 93 2.110 -4.987 -2.834 1.00 0.00 N ATOM 271 CA ARG A 93 0.684 -5.290 -2.816 1.00 0.00 C ATOM 272 C ARG A 93 0.453 -6.783 -2.607 1.00 0.00 C ATOM 273 O ARG A 93 -0.630 -7.300 -2.883 1.00 0.00 O ATOM 274 CB ARG A 93 0.026 -4.838 -4.121 1.00 0.00 C ATOM 275 CG ARG A 93 0.206 -5.820 -5.268 1.00 0.00 C ATOM 276 CD ARG A 93 1.628 -6.356 -5.323 1.00 0.00 C ATOM 277 NE ARG A 93 1.932 -6.972 -6.611 1.00 0.00 N ATOM 278 CZ ARG A 93 3.136 -7.425 -6.943 1.00 0.00 C ATOM 279 NH1 ARG A 93 4.143 -7.328 -6.086 1.00 0.00 N ATOM 280 NH2 ARG A 93 3.335 -7.975 -8.134 1.00 0.00 N ATOM 0 H ARG A 93 2.671 -5.634 -3.388 1.00 0.00 H new ATOM 0 HA ARG A 93 0.232 -4.748 -1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.039 -4.687 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.441 -3.873 -4.412 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.492 -6.649 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.036 -5.329 -6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.329 -5.543 -5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.770 -7.089 -4.528 1.00 0.00 H new ATOM 0 HE ARG A 93 1.179 -7.059 -7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.994 -6.905 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.067 -7.676 -6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.563 -8.051 -8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.260 -8.322 -8.387 1.00 0.00 H new ATOM 294 N THR A 94 1.479 -7.470 -2.117 1.00 0.00 N ATOM 295 CA THR A 94 1.393 -8.903 -1.868 1.00 0.00 C ATOM 296 C THR A 94 1.934 -9.246 -0.484 1.00 0.00 C ATOM 297 O THR A 94 3.141 -9.180 -0.244 1.00 0.00 O ATOM 298 CB THR A 94 2.165 -9.675 -2.939 1.00 0.00 C ATOM 299 OG1 THR A 94 3.356 -8.993 -3.287 1.00 0.00 O ATOM 300 CG2 THR A 94 1.372 -9.891 -4.209 1.00 0.00 C ATOM 0 H THR A 94 2.382 -7.056 -1.884 1.00 0.00 H new ATOM 0 HA THR A 94 0.343 -9.193 -1.910 1.00 0.00 H new ATOM 0 HB THR A 94 2.381 -10.647 -2.495 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.860 -8.779 -2.474 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.978 -10.444 -4.927 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.469 -10.458 -3.982 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.097 -8.926 -4.635 1.00 0.00 H new ATOM 308 N PRO A 95 1.043 -9.616 0.447 1.00 0.00 N ATOM 309 CA PRO A 95 1.428 -9.970 1.817 1.00 0.00 C ATOM 310 C PRO A 95 2.503 -11.052 1.855 1.00 0.00 C ATOM 311 O PRO A 95 3.174 -11.238 2.870 1.00 0.00 O ATOM 312 CB PRO A 95 0.126 -10.487 2.434 1.00 0.00 C ATOM 313 CG PRO A 95 -0.956 -9.855 1.628 1.00 0.00 C ATOM 314 CD PRO A 95 -0.411 -9.717 0.234 1.00 0.00 C ATOM 0 HA PRO A 95 1.858 -9.122 2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.071 -11.575 2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.049 -10.210 3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.857 -10.469 1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.230 -8.883 2.037 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.668 -10.576 -0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.807 -8.833 -0.267 1.00 0.00 H new ATOM 322 N SER A 96 2.660 -11.762 0.744 1.00 0.00 N ATOM 323 CA SER A 96 3.653 -12.826 0.651 1.00 0.00 C ATOM 324 C SER A 96 3.642 -13.461 -0.736 1.00 0.00 C ATOM 325 O SER A 96 2.732 -13.227 -1.531 1.00 0.00 O ATOM 326 CB SER A 96 3.390 -13.892 1.716 1.00 0.00 C ATOM 327 OG SER A 96 4.287 -13.758 2.804 1.00 0.00 O ATOM 0 H SER A 96 2.113 -11.620 -0.105 1.00 0.00 H new ATOM 0 HA SER A 96 4.636 -12.387 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.364 -13.807 2.074 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.493 -14.884 1.276 1.00 0.00 H new ATOM 0 HG SER A 96 4.207 -12.859 3.185 1.00 0.00 H new ATOM 333 N PRO A 97 4.662 -14.276 -1.042 1.00 0.00 N ATOM 334 CA PRO A 97 4.776 -14.950 -2.337 1.00 0.00 C ATOM 335 C PRO A 97 3.764 -16.080 -2.494 1.00 0.00 C ATOM 336 O PRO A 97 3.830 -17.088 -1.791 1.00 0.00 O ATOM 337 CB PRO A 97 6.201 -15.506 -2.320 1.00 0.00 C ATOM 338 CG PRO A 97 6.513 -15.696 -0.876 1.00 0.00 C ATOM 339 CD PRO A 97 5.785 -14.602 -0.144 1.00 0.00 C ATOM 0 HA PRO A 97 4.577 -14.274 -3.169 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.266 -16.447 -2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.902 -14.815 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.187 -16.678 -0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.587 -15.636 -0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.434 -14.937 0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.426 -13.737 0.027 1.00 0.00 H new ATOM 347 N ASP A 98 2.829 -15.904 -3.423 1.00 0.00 N ATOM 348 CA ASP A 98 1.803 -16.910 -3.674 1.00 0.00 C ATOM 349 C ASP A 98 0.626 -16.738 -2.718 1.00 0.00 C ATOM 350 O ASP A 98 0.184 -17.697 -2.085 1.00 0.00 O ATOM 351 CB ASP A 98 2.389 -18.315 -3.531 1.00 0.00 C ATOM 352 CG ASP A 98 1.985 -19.229 -4.671 1.00 0.00 C ATOM 353 OD1 ASP A 98 0.807 -19.644 -4.709 1.00 0.00 O ATOM 354 OD2 ASP A 98 2.845 -19.530 -5.524 1.00 0.00 O ATOM 0 H ASP A 98 2.761 -15.075 -4.014 1.00 0.00 H new ATOM 0 HA ASP A 98 1.442 -16.777 -4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 98 3.476 -18.250 -3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.059 -18.749 -2.587 1.00 0.00 H new ATOM 359 N ALA A 99 0.121 -15.513 -2.622 1.00 0.00 N ATOM 360 CA ALA A 99 -1.006 -15.217 -1.745 1.00 0.00 C ATOM 361 C ALA A 99 -2.136 -14.541 -2.513 1.00 0.00 C ATOM 362 O ALA A 99 -2.171 -14.576 -3.743 1.00 0.00 O ATOM 363 CB ALA A 99 -0.558 -14.344 -0.583 1.00 0.00 C ATOM 0 H ALA A 99 0.474 -14.709 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.384 -16.160 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.410 -14.132 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.209 -14.865 -0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.152 -13.408 -0.967 1.00 0.00 H new ATOM 369 N LYS A 100 -3.058 -13.926 -1.781 1.00 0.00 N ATOM 370 CA LYS A 100 -4.189 -13.241 -2.396 1.00 0.00 C ATOM 371 C LYS A 100 -3.959 -11.733 -2.430 1.00 0.00 C ATOM 372 O LYS A 100 -4.887 -10.950 -2.229 1.00 0.00 O ATOM 373 CB LYS A 100 -5.478 -13.555 -1.633 1.00 0.00 C ATOM 374 CG LYS A 100 -5.833 -15.032 -1.622 1.00 0.00 C ATOM 375 CD LYS A 100 -5.983 -15.557 -0.203 1.00 0.00 C ATOM 376 CE LYS A 100 -7.087 -14.831 0.548 1.00 0.00 C ATOM 377 NZ LYS A 100 -8.418 -15.454 0.315 1.00 0.00 N ATOM 0 H LYS A 100 -3.045 -13.888 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.285 -13.599 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.376 -13.207 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.300 -12.995 -2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.763 -15.188 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.059 -15.598 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.202 -16.624 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.040 -15.439 0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.865 -14.837 1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.114 -13.788 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.144 -14.930 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.642 -15.426 -0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.400 -16.442 0.638 1.00 0.00 H new ATOM 391 N ALA A 101 -2.717 -11.334 -2.686 1.00 0.00 N ATOM 392 CA ALA A 101 -2.367 -9.921 -2.747 1.00 0.00 C ATOM 393 C ALA A 101 -2.790 -9.196 -1.475 1.00 0.00 C ATOM 394 O ALA A 101 -3.419 -9.783 -0.593 1.00 0.00 O ATOM 395 CB ALA A 101 -3.006 -9.271 -3.964 1.00 0.00 C ATOM 0 H ALA A 101 -1.937 -11.970 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.283 -9.844 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.736 -8.216 -3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.651 -9.765 -4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.090 -9.366 -3.900 1.00 0.00 H new ATOM 401 N PHE A 102 -2.442 -7.918 -1.384 1.00 0.00 N ATOM 402 CA PHE A 102 -2.786 -7.111 -0.220 1.00 0.00 C ATOM 403 C PHE A 102 -3.997 -6.228 -0.507 1.00 0.00 C ATOM 404 O PHE A 102 -4.818 -5.978 0.376 1.00 0.00 O ATOM 405 CB PHE A 102 -1.595 -6.243 0.194 1.00 0.00 C ATOM 406 CG PHE A 102 -1.157 -6.459 1.614 1.00 0.00 C ATOM 407 CD1 PHE A 102 -2.083 -6.794 2.596 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.180 -6.327 1.971 1.00 0.00 C ATOM 409 CE1 PHE A 102 -1.682 -6.993 3.909 1.00 0.00 C ATOM 410 CE2 PHE A 102 0.586 -6.524 3.282 1.00 0.00 C ATOM 411 CZ PHE A 102 -0.346 -6.857 4.251 1.00 0.00 C ATOM 0 H PHE A 102 -1.921 -7.418 -2.104 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.038 -7.787 0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.757 -6.450 -0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.857 -5.194 0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.125 -6.900 2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.911 -6.068 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.410 -7.253 4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.628 -6.418 3.547 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.032 -7.011 5.273 1.00 0.00 H new ATOM 421 N ILE A 103 -4.102 -5.762 -1.748 1.00 0.00 N ATOM 422 CA ILE A 103 -5.213 -4.908 -2.155 1.00 0.00 C ATOM 423 C ILE A 103 -5.105 -4.535 -3.630 1.00 0.00 C ATOM 424 O ILE A 103 -4.008 -4.336 -4.151 1.00 0.00 O ATOM 425 CB ILE A 103 -5.272 -3.617 -1.316 1.00 0.00 C ATOM 426 CG1 ILE A 103 -3.864 -3.175 -0.913 1.00 0.00 C ATOM 427 CG2 ILE A 103 -6.142 -3.824 -0.085 1.00 0.00 C ATOM 428 CD1 ILE A 103 -3.537 -1.759 -1.330 1.00 0.00 C ATOM 0 H ILE A 103 -3.431 -5.962 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 103 -6.126 -5.480 -1.990 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.717 -2.829 -1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.760 -3.261 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -3.137 -3.854 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -6.174 -2.903 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -7.152 -4.093 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.724 -4.625 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.524 -1.511 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.609 -1.673 -2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -4.242 -1.070 -0.864 1.00 0.00 H new ATOM 440 N GLU A 104 -6.251 -4.444 -4.299 1.00 0.00 N ATOM 441 CA GLU A 104 -6.283 -4.096 -5.715 1.00 0.00 C ATOM 442 C GLU A 104 -7.528 -3.279 -6.048 1.00 0.00 C ATOM 443 O GLU A 104 -8.581 -3.456 -5.434 1.00 0.00 O ATOM 444 CB GLU A 104 -6.249 -5.363 -6.572 1.00 0.00 C ATOM 445 CG GLU A 104 -4.939 -5.558 -7.319 1.00 0.00 C ATOM 446 CD GLU A 104 -5.027 -6.645 -8.372 1.00 0.00 C ATOM 447 OE1 GLU A 104 -5.328 -7.802 -8.009 1.00 0.00 O ATOM 448 OE2 GLU A 104 -4.795 -6.339 -9.561 1.00 0.00 O ATOM 0 H GLU A 104 -7.168 -4.606 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.404 -3.491 -5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.426 -6.228 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.066 -5.326 -7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.652 -4.620 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.153 -5.809 -6.607 1.00 0.00 H new ATOM 455 N VAL A 105 -7.401 -2.385 -7.024 1.00 0.00 N ATOM 456 CA VAL A 105 -8.516 -1.542 -7.440 1.00 0.00 C ATOM 457 C VAL A 105 -9.837 -2.296 -7.351 1.00 0.00 C ATOM 458 O VAL A 105 -9.997 -3.360 -7.947 1.00 0.00 O ATOM 459 CB VAL A 105 -8.327 -1.027 -8.879 1.00 0.00 C ATOM 460 CG1 VAL A 105 -9.265 0.137 -9.157 1.00 0.00 C ATOM 461 CG2 VAL A 105 -6.880 -0.624 -9.116 1.00 0.00 C ATOM 0 H VAL A 105 -6.537 -2.226 -7.542 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.539 -0.691 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.573 -1.834 -9.569 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.117 0.488 -10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.297 -0.190 -9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.054 0.949 -8.461 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.766 -0.263 -10.138 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.604 0.167 -8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.232 -1.487 -8.962 1.00 0.00 H new ATOM 471 N GLY A 106 -10.781 -1.737 -6.600 1.00 0.00 N ATOM 472 CA GLY A 106 -12.076 -2.371 -6.445 1.00 0.00 C ATOM 473 C GLY A 106 -12.299 -2.889 -5.037 1.00 0.00 C ATOM 474 O GLY A 106 -13.438 -3.028 -4.592 1.00 0.00 O ATOM 0 H GLY A 106 -10.672 -0.857 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.860 -1.656 -6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.160 -3.197 -7.151 1.00 0.00 H new ATOM 478 N GLN A 107 -11.206 -3.173 -4.335 1.00 0.00 N ATOM 479 CA GLN A 107 -11.284 -3.676 -2.969 1.00 0.00 C ATOM 480 C GLN A 107 -11.475 -2.531 -1.980 1.00 0.00 C ATOM 481 O GLN A 107 -10.618 -1.656 -1.856 1.00 0.00 O ATOM 482 CB GLN A 107 -10.018 -4.463 -2.619 1.00 0.00 C ATOM 483 CG GLN A 107 -9.777 -4.598 -1.125 1.00 0.00 C ATOM 484 CD GLN A 107 -11.006 -5.076 -0.376 1.00 0.00 C ATOM 485 OE1 GLN A 107 -11.907 -5.680 -0.959 1.00 0.00 O ATOM 486 NE2 GLN A 107 -11.050 -4.806 0.924 1.00 0.00 N ATOM 0 H GLN A 107 -10.256 -3.063 -4.690 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.146 -4.340 -2.901 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -10.086 -5.458 -3.059 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.158 -3.972 -3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.958 -5.297 -0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.463 -3.635 -0.723 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.281 -4.303 1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.853 -5.102 1.479 1.00 0.00 H new ATOM 495 N LYS A 108 -12.604 -2.541 -1.282 1.00 0.00 N ATOM 496 CA LYS A 108 -12.909 -1.501 -0.305 1.00 0.00 C ATOM 497 C LYS A 108 -12.216 -1.779 1.025 1.00 0.00 C ATOM 498 O LYS A 108 -12.687 -2.589 1.823 1.00 0.00 O ATOM 499 CB LYS A 108 -14.420 -1.399 -0.094 1.00 0.00 C ATOM 500 CG LYS A 108 -15.215 -1.381 -1.390 1.00 0.00 C ATOM 501 CD LYS A 108 -16.090 -2.616 -1.523 1.00 0.00 C ATOM 502 CE LYS A 108 -17.164 -2.426 -2.583 1.00 0.00 C ATOM 503 NZ LYS A 108 -18.301 -1.606 -2.079 1.00 0.00 N ATOM 0 H LYS A 108 -13.324 -3.258 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.537 -0.553 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.751 -2.241 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.639 -0.492 0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.838 -0.487 -1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.531 -1.325 -2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -15.471 -3.476 -1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.559 -2.836 -0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.729 -1.944 -3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.533 -3.400 -2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.012 -1.499 -2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.732 -2.078 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -17.953 -0.668 -1.795 1.00 0.00 H new ATOM 517 N VAL A 109 -11.096 -1.102 1.258 1.00 0.00 N ATOM 518 CA VAL A 109 -10.342 -1.278 2.493 1.00 0.00 C ATOM 519 C VAL A 109 -11.197 -0.938 3.709 1.00 0.00 C ATOM 520 O VAL A 109 -12.340 -0.501 3.572 1.00 0.00 O ATOM 521 CB VAL A 109 -9.073 -0.406 2.510 1.00 0.00 C ATOM 522 CG1 VAL A 109 -8.268 -0.608 1.234 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.431 1.061 2.696 1.00 0.00 C ATOM 0 H VAL A 109 -10.691 -0.428 0.609 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.049 -2.327 2.538 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.457 -0.714 3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.375 0.016 1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.976 -1.655 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.876 -0.330 0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.520 1.659 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.071 1.386 1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.959 1.190 3.641 1.00 0.00 H new ATOM 533 N ASN A 110 -10.636 -1.140 4.897 1.00 0.00 N ATOM 534 CA ASN A 110 -11.345 -0.855 6.136 1.00 0.00 C ATOM 535 C ASN A 110 -10.375 -0.772 7.306 1.00 0.00 C ATOM 536 O ASN A 110 -9.531 -1.648 7.494 1.00 0.00 O ATOM 537 CB ASN A 110 -12.397 -1.929 6.414 1.00 0.00 C ATOM 538 CG ASN A 110 -13.465 -1.990 5.340 1.00 0.00 C ATOM 539 OD1 ASN A 110 -13.360 -2.761 4.386 1.00 0.00 O ATOM 540 ND2 ASN A 110 -14.502 -1.174 5.489 1.00 0.00 N ATOM 0 H ASN A 110 -9.691 -1.501 5.026 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.843 0.108 6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.908 -2.900 6.491 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -12.867 -1.732 7.378 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -15.252 -1.170 4.797 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -14.549 -0.551 6.295 1.00 0.00 H new ATOM 547 N VAL A 111 -10.509 0.286 8.090 1.00 0.00 N ATOM 548 CA VAL A 111 -9.652 0.495 9.250 1.00 0.00 C ATOM 549 C VAL A 111 -9.305 -0.830 9.919 1.00 0.00 C ATOM 550 O VAL A 111 -10.156 -1.708 10.059 1.00 0.00 O ATOM 551 CB VAL A 111 -10.324 1.420 10.281 1.00 0.00 C ATOM 552 CG1 VAL A 111 -10.620 2.778 9.665 1.00 0.00 C ATOM 553 CG2 VAL A 111 -11.595 0.784 10.824 1.00 0.00 C ATOM 0 H VAL A 111 -11.205 1.017 7.945 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.738 0.968 8.891 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.636 1.566 11.114 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.095 3.419 10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.689 3.237 9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.288 2.653 8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.055 1.453 11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.291 0.605 10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.351 -0.163 11.306 1.00 0.00 H new ATOM 563 N GLY A 112 -8.048 -0.970 10.325 1.00 0.00 N ATOM 564 CA GLY A 112 -7.609 -2.193 10.970 1.00 0.00 C ATOM 565 C GLY A 112 -7.303 -3.293 9.972 1.00 0.00 C ATOM 566 O GLY A 112 -7.212 -4.465 10.337 1.00 0.00 O ATOM 0 H GLY A 112 -7.325 -0.258 10.219 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.719 -1.988 11.565 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.381 -2.535 11.659 1.00 0.00 H new ATOM 570 N ASP A 113 -7.144 -2.912 8.707 1.00 0.00 N ATOM 571 CA ASP A 113 -6.848 -3.873 7.651 1.00 0.00 C ATOM 572 C ASP A 113 -5.573 -3.486 6.906 1.00 0.00 C ATOM 573 O ASP A 113 -5.580 -2.584 6.069 1.00 0.00 O ATOM 574 CB ASP A 113 -8.019 -3.959 6.670 1.00 0.00 C ATOM 575 CG ASP A 113 -7.968 -5.214 5.819 1.00 0.00 C ATOM 576 OD1 ASP A 113 -7.054 -5.322 4.975 1.00 0.00 O ATOM 577 OD2 ASP A 113 -8.842 -6.088 5.998 1.00 0.00 O ATOM 0 H ASP A 113 -7.215 -1.945 8.390 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.696 -4.849 8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -8.957 -3.937 7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.012 -3.083 6.022 1.00 0.00 H new ATOM 582 N THR A 114 -4.481 -4.177 7.217 1.00 0.00 N ATOM 583 CA THR A 114 -3.198 -3.909 6.578 1.00 0.00 C ATOM 584 C THR A 114 -3.375 -3.640 5.086 1.00 0.00 C ATOM 585 O THR A 114 -3.705 -4.544 4.318 1.00 0.00 O ATOM 586 CB THR A 114 -2.246 -5.087 6.785 1.00 0.00 C ATOM 587 OG1 THR A 114 -2.263 -5.514 8.137 1.00 0.00 O ATOM 588 CG2 THR A 114 -0.812 -4.769 6.424 1.00 0.00 C ATOM 0 H THR A 114 -4.459 -4.927 7.908 1.00 0.00 H new ATOM 0 HA THR A 114 -2.771 -3.019 7.040 1.00 0.00 H new ATOM 0 HB THR A 114 -2.607 -5.870 6.118 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.583 -4.784 8.707 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.190 -5.648 6.594 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.756 -4.483 5.374 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.455 -3.946 7.043 1.00 0.00 H new ATOM 596 N LEU A 115 -3.148 -2.394 4.683 1.00 0.00 N ATOM 597 CA LEU A 115 -3.279 -2.006 3.282 1.00 0.00 C ATOM 598 C LEU A 115 -2.223 -2.699 2.427 1.00 0.00 C ATOM 599 O LEU A 115 -2.463 -3.771 1.873 1.00 0.00 O ATOM 600 CB LEU A 115 -3.153 -0.488 3.138 1.00 0.00 C ATOM 601 CG LEU A 115 -4.429 0.301 3.441 1.00 0.00 C ATOM 602 CD1 LEU A 115 -4.105 1.768 3.672 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.432 0.146 2.308 1.00 0.00 C ATOM 0 H LEU A 115 -2.872 -1.635 5.306 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.264 -2.316 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.363 -0.140 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.837 -0.260 2.120 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.875 -0.099 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.024 2.314 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.422 1.861 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.636 2.182 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.333 0.713 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.996 0.520 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.687 -0.907 2.189 1.00 0.00 H new ATOM 615 N CYS A 116 -1.052 -2.078 2.325 1.00 0.00 N ATOM 616 CA CYS A 116 0.043 -2.634 1.540 1.00 0.00 C ATOM 617 C CYS A 116 1.301 -2.778 2.392 1.00 0.00 C ATOM 618 O CYS A 116 1.261 -2.599 3.609 1.00 0.00 O ATOM 619 CB CYS A 116 0.331 -1.747 0.326 1.00 0.00 C ATOM 620 SG CYS A 116 -0.051 0.002 0.584 1.00 0.00 S ATOM 0 H CYS A 116 -0.838 -1.189 2.777 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.255 -3.623 1.193 1.00 0.00 H new ATOM 0 HB2 CYS A 116 1.384 -1.843 0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.246 -2.113 -0.523 1.00 0.00 H new ATOM 0 HG CYS A 116 0.574 0.718 -0.303 1.00 0.00 H new ATOM 626 N ILE A 117 2.416 -3.105 1.747 1.00 0.00 N ATOM 627 CA ILE A 117 3.684 -3.274 2.449 1.00 0.00 C ATOM 628 C ILE A 117 4.619 -2.100 2.188 1.00 0.00 C ATOM 629 O ILE A 117 5.081 -1.899 1.064 1.00 0.00 O ATOM 630 CB ILE A 117 4.391 -4.579 2.033 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.381 -5.572 1.453 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.121 -5.190 3.219 1.00 0.00 C ATOM 633 CD1 ILE A 117 3.919 -6.981 1.333 1.00 0.00 C ATOM 0 H ILE A 117 2.468 -3.258 0.740 1.00 0.00 H new ATOM 0 HA ILE A 117 3.449 -3.320 3.512 1.00 0.00 H new ATOM 0 HB ILE A 117 5.125 -4.345 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.492 -5.584 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.068 -5.226 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.615 -6.111 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.866 -4.486 3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.406 -5.412 4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.149 -7.630 0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.790 -6.983 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.205 -7.346 2.319 1.00 0.00 H new ATOM 645 N VAL A 118 4.899 -1.329 3.232 1.00 0.00 N ATOM 646 CA VAL A 118 5.784 -0.178 3.117 1.00 0.00 C ATOM 647 C VAL A 118 7.199 -0.530 3.558 1.00 0.00 C ATOM 648 O VAL A 118 7.737 0.070 4.488 1.00 0.00 O ATOM 649 CB VAL A 118 5.278 1.010 3.957 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.288 2.147 3.938 1.00 0.00 C ATOM 651 CG2 VAL A 118 3.923 1.482 3.452 1.00 0.00 C ATOM 0 H VAL A 118 4.525 -1.481 4.169 1.00 0.00 H new ATOM 0 HA VAL A 118 5.792 0.110 2.066 1.00 0.00 H new ATOM 0 HB VAL A 118 5.160 0.678 4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.913 2.977 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.235 1.800 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 118 6.441 2.480 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.581 2.322 4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.012 1.797 2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.204 0.666 3.524 1.00 0.00 H new ATOM 661 N GLU A 119 7.795 -1.511 2.886 1.00 0.00 N ATOM 662 CA GLU A 119 9.148 -1.948 3.211 1.00 0.00 C ATOM 663 C GLU A 119 10.038 -0.760 3.560 1.00 0.00 C ATOM 664 O GLU A 119 10.671 -0.167 2.686 1.00 0.00 O ATOM 665 CB GLU A 119 9.749 -2.725 2.038 1.00 0.00 C ATOM 666 CG GLU A 119 9.964 -4.201 2.331 1.00 0.00 C ATOM 667 CD GLU A 119 11.199 -4.757 1.647 1.00 0.00 C ATOM 668 OE1 GLU A 119 11.428 -4.416 0.468 1.00 0.00 O ATOM 669 OE2 GLU A 119 11.936 -5.533 2.290 1.00 0.00 O ATOM 0 H GLU A 119 7.362 -2.018 2.114 1.00 0.00 H new ATOM 0 HA GLU A 119 9.092 -2.601 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.092 -2.627 1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.704 -2.275 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.054 -4.345 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.089 -4.764 2.006 1.00 0.00 H new ATOM 676 N ALA A 120 10.083 -0.418 4.843 1.00 0.00 N ATOM 677 CA ALA A 120 10.897 0.700 5.309 1.00 0.00 C ATOM 678 C ALA A 120 12.078 0.207 6.135 1.00 0.00 C ATOM 679 O ALA A 120 11.967 -0.775 6.868 1.00 0.00 O ATOM 680 CB ALA A 120 10.049 1.669 6.119 1.00 0.00 C ATOM 0 H ALA A 120 9.566 -0.898 5.579 1.00 0.00 H new ATOM 0 HA ALA A 120 11.289 1.223 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.669 2.498 6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.241 2.053 5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.629 1.152 6.981 1.00 0.00 H new ATOM 686 N MET A 121 13.209 0.893 6.012 1.00 0.00 N ATOM 687 CA MET A 121 14.415 0.524 6.747 1.00 0.00 C ATOM 688 C MET A 121 14.806 -0.924 6.460 1.00 0.00 C ATOM 689 O MET A 121 15.588 -1.524 7.197 1.00 0.00 O ATOM 690 CB MET A 121 14.206 0.737 8.253 1.00 0.00 C ATOM 691 CG MET A 121 13.812 -0.522 9.015 1.00 0.00 C ATOM 692 SD MET A 121 12.584 -0.204 10.298 1.00 0.00 S ATOM 693 CE MET A 121 11.296 0.598 9.347 1.00 0.00 C ATOM 0 H MET A 121 13.317 1.709 5.409 1.00 0.00 H new ATOM 0 HA MET A 121 15.230 1.166 6.413 1.00 0.00 H new ATOM 0 HB2 MET A 121 15.125 1.135 8.683 1.00 0.00 H new ATOM 0 HB3 MET A 121 13.433 1.492 8.398 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.417 -1.257 8.314 1.00 0.00 H new ATOM 0 HG3 MET A 121 14.701 -0.960 9.469 1.00 0.00 H new ATOM 0 HE1 MET A 121 10.587 1.074 10.024 1.00 0.00 H new ATOM 0 HE2 MET A 121 11.740 1.352 8.697 1.00 0.00 H new ATOM 0 HE3 MET A 121 10.776 -0.144 8.740 1.00 0.00 H new ATOM 703 N LYS A 122 14.255 -1.478 5.384 1.00 0.00 N ATOM 704 CA LYS A 122 14.545 -2.854 4.999 1.00 0.00 C ATOM 705 C LYS A 122 13.666 -3.833 5.772 1.00 0.00 C ATOM 706 O LYS A 122 14.164 -4.768 6.398 1.00 0.00 O ATOM 707 CB LYS A 122 16.020 -3.177 5.240 1.00 0.00 C ATOM 708 CG LYS A 122 16.545 -4.317 4.380 1.00 0.00 C ATOM 709 CD LYS A 122 15.522 -5.435 4.249 1.00 0.00 C ATOM 710 CE LYS A 122 15.939 -6.453 3.200 1.00 0.00 C ATOM 711 NZ LYS A 122 17.363 -6.768 3.277 1.00 0.00 N ATOM 0 H LYS A 122 13.605 -0.995 4.764 1.00 0.00 H new ATOM 0 HA LYS A 122 14.328 -2.958 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.615 -2.284 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.160 -3.432 6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 122 16.801 -3.939 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 122 17.462 -4.711 4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.400 -5.932 5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.553 -5.013 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 122 15.358 -7.366 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 122 15.707 -6.067 2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 17.557 -7.633 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 17.915 -5.979 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 17.632 -6.917 4.270 1.00 0.00 H new ATOM 722 N MET A 123 12.356 -3.613 5.720 1.00 0.00 N ATOM 723 CA MET A 123 11.409 -4.480 6.412 1.00 0.00 C ATOM 724 C MET A 123 9.975 -4.115 6.056 1.00 0.00 C ATOM 725 O MET A 123 9.599 -2.942 6.066 1.00 0.00 O ATOM 726 CB MET A 123 11.608 -4.395 7.925 1.00 0.00 C ATOM 727 CG MET A 123 10.894 -3.218 8.568 1.00 0.00 C ATOM 728 SD MET A 123 11.234 -3.079 10.333 1.00 0.00 S ATOM 729 CE MET A 123 9.582 -2.818 10.975 1.00 0.00 C ATOM 0 H MET A 123 11.927 -2.843 5.207 1.00 0.00 H new ATOM 0 HA MET A 123 11.596 -5.504 6.088 1.00 0.00 H new ATOM 0 HB2 MET A 123 11.252 -5.318 8.382 1.00 0.00 H new ATOM 0 HB3 MET A 123 12.674 -4.323 8.139 1.00 0.00 H new ATOM 0 HG2 MET A 123 11.198 -2.297 8.070 1.00 0.00 H new ATOM 0 HG3 MET A 123 9.820 -3.323 8.416 1.00 0.00 H new ATOM 0 HE1 MET A 123 9.625 -2.713 12.059 1.00 0.00 H new ATOM 0 HE2 MET A 123 9.161 -1.912 10.539 1.00 0.00 H new ATOM 0 HE3 MET A 123 8.953 -3.670 10.718 1.00 0.00 H new ATOM 739 N MET A 124 9.179 -5.130 5.747 1.00 0.00 N ATOM 740 CA MET A 124 7.781 -4.929 5.387 1.00 0.00 C ATOM 741 C MET A 124 7.055 -4.110 6.449 1.00 0.00 C ATOM 742 O MET A 124 6.590 -4.650 7.453 1.00 0.00 O ATOM 743 CB MET A 124 7.083 -6.278 5.201 1.00 0.00 C ATOM 744 CG MET A 124 7.392 -7.280 6.302 1.00 0.00 C ATOM 745 SD MET A 124 5.914 -7.830 7.177 1.00 0.00 S ATOM 746 CE MET A 124 6.346 -9.530 7.535 1.00 0.00 C ATOM 0 H MET A 124 9.479 -6.105 5.738 1.00 0.00 H new ATOM 0 HA MET A 124 7.750 -4.377 4.447 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.006 -6.118 5.159 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.380 -6.702 4.242 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.896 -8.144 5.870 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.084 -6.830 7.014 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.529 -10.007 8.076 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.524 -10.064 6.602 1.00 0.00 H new ATOM 0 HE3 MET A 124 7.249 -9.555 8.146 1.00 0.00 H new ATOM 756 N ASN A 125 6.959 -2.805 6.218 1.00 0.00 N ATOM 757 CA ASN A 125 6.286 -1.912 7.154 1.00 0.00 C ATOM 758 C ASN A 125 4.795 -1.827 6.845 1.00 0.00 C ATOM 759 O ASN A 125 4.289 -0.771 6.467 1.00 0.00 O ATOM 760 CB ASN A 125 6.912 -0.516 7.100 1.00 0.00 C ATOM 761 CG ASN A 125 6.825 0.207 8.430 1.00 0.00 C ATOM 762 OD1 ASN A 125 7.588 -0.075 9.354 1.00 0.00 O ATOM 763 ND2 ASN A 125 5.891 1.145 8.533 1.00 0.00 N ATOM 0 H ASN A 125 7.338 -2.343 5.392 1.00 0.00 H new ATOM 0 HA ASN A 125 6.408 -2.318 8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.957 -0.601 6.803 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.410 0.075 6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 125 5.784 1.665 9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 125 5.280 1.346 7.741 1.00 0.00 H new ATOM 770 N GLN A 126 4.098 -2.949 7.008 1.00 0.00 N ATOM 771 CA GLN A 126 2.664 -3.005 6.744 1.00 0.00 C ATOM 772 C GLN A 126 1.985 -1.694 7.125 1.00 0.00 C ATOM 773 O GLN A 126 2.474 -0.954 7.977 1.00 0.00 O ATOM 774 CB GLN A 126 2.029 -4.164 7.515 1.00 0.00 C ATOM 775 CG GLN A 126 2.778 -4.534 8.784 1.00 0.00 C ATOM 776 CD GLN A 126 1.895 -5.231 9.800 1.00 0.00 C ATOM 777 OE1 GLN A 126 1.351 -4.598 10.705 1.00 0.00 O ATOM 778 NE2 GLN A 126 1.748 -6.543 9.654 1.00 0.00 N ATOM 0 H GLN A 126 4.504 -3.831 7.322 1.00 0.00 H new ATOM 0 HA GLN A 126 2.524 -3.166 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.004 -3.899 7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 126 1.979 -5.038 6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 126 3.616 -5.183 8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 126 3.197 -3.632 9.230 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.218 -7.027 8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 126 1.165 -7.067 10.307 1.00 0.00 H new ATOM 787 N ILE A 127 0.855 -1.412 6.483 1.00 0.00 N ATOM 788 CA ILE A 127 0.108 -0.189 6.751 1.00 0.00 C ATOM 789 C ILE A 127 -1.317 -0.499 7.196 1.00 0.00 C ATOM 790 O ILE A 127 -2.084 -1.126 6.466 1.00 0.00 O ATOM 791 CB ILE A 127 0.059 0.721 5.508 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.473 1.134 5.096 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.800 1.945 5.782 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.234 1.854 6.187 1.00 0.00 C ATOM 0 H ILE A 127 0.437 -2.014 5.774 1.00 0.00 H new ATOM 0 HA ILE A 127 0.630 0.331 7.554 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.390 0.165 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 127 2.031 0.245 4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.414 1.779 4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.825 2.578 4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.813 1.630 6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.379 2.506 6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.228 2.117 5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.698 2.761 6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.325 1.204 7.057 1.00 0.00 H new ATOM 806 N GLU A 128 -1.664 -0.053 8.399 1.00 0.00 N ATOM 807 CA GLU A 128 -2.998 -0.280 8.942 1.00 0.00 C ATOM 808 C GLU A 128 -3.979 0.767 8.423 1.00 0.00 C ATOM 809 O GLU A 128 -3.799 1.965 8.644 1.00 0.00 O ATOM 810 CB GLU A 128 -2.961 -0.249 10.470 1.00 0.00 C ATOM 811 CG GLU A 128 -2.392 -1.516 11.090 1.00 0.00 C ATOM 812 CD GLU A 128 -3.105 -2.767 10.615 1.00 0.00 C ATOM 813 OE1 GLU A 128 -4.319 -2.895 10.878 1.00 0.00 O ATOM 814 OE2 GLU A 128 -2.447 -3.619 9.980 1.00 0.00 O ATOM 0 H GLU A 128 -1.040 0.467 9.016 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.336 -1.263 8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -2.364 0.604 10.794 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -3.972 -0.092 10.847 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -1.332 -1.591 10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -2.466 -1.450 12.176 1.00 0.00 H new ATOM 821 N ALA A 129 -5.015 0.307 7.730 1.00 0.00 N ATOM 822 CA ALA A 129 -6.023 1.203 7.177 1.00 0.00 C ATOM 823 C ALA A 129 -6.384 2.304 8.168 1.00 0.00 C ATOM 824 O ALA A 129 -6.948 2.037 9.230 1.00 0.00 O ATOM 825 CB ALA A 129 -7.265 0.419 6.779 1.00 0.00 C ATOM 0 H ALA A 129 -5.178 -0.681 7.538 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.605 1.675 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.009 1.101 6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.000 -0.325 6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.676 -0.081 7.656 1.00 0.00 H new ATOM 831 N ASP A 130 -6.058 3.543 7.812 1.00 0.00 N ATOM 832 CA ASP A 130 -6.349 4.688 8.667 1.00 0.00 C ATOM 833 C ASP A 130 -7.835 5.029 8.625 1.00 0.00 C ATOM 834 O ASP A 130 -8.382 5.584 9.578 1.00 0.00 O ATOM 835 CB ASP A 130 -5.525 5.899 8.229 1.00 0.00 C ATOM 836 CG ASP A 130 -4.816 6.568 9.390 1.00 0.00 C ATOM 837 OD1 ASP A 130 -5.407 6.634 10.488 1.00 0.00 O ATOM 838 OD2 ASP A 130 -3.670 7.027 9.201 1.00 0.00 O ATOM 0 H ASP A 130 -5.592 3.779 6.936 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.081 4.426 9.691 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -4.788 5.585 7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -6.179 6.622 7.741 1.00 0.00 H new ATOM 843 N LYS A 131 -8.481 4.691 7.514 1.00 0.00 N ATOM 844 CA LYS A 131 -9.903 4.958 7.343 1.00 0.00 C ATOM 845 C LYS A 131 -10.467 4.161 6.171 1.00 0.00 C ATOM 846 O LYS A 131 -9.851 4.081 5.108 1.00 0.00 O ATOM 847 CB LYS A 131 -10.142 6.454 7.122 1.00 0.00 C ATOM 848 CG LYS A 131 -9.820 6.919 5.713 1.00 0.00 C ATOM 849 CD LYS A 131 -11.075 7.340 4.966 1.00 0.00 C ATOM 850 CE LYS A 131 -11.460 8.775 5.288 1.00 0.00 C ATOM 851 NZ LYS A 131 -10.953 9.730 4.265 1.00 0.00 N ATOM 0 H LYS A 131 -8.041 4.231 6.717 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.418 4.648 8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -11.185 6.683 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -9.535 7.019 7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -9.122 7.755 5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -9.323 6.116 5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.913 7.238 3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -11.897 6.674 5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -12.545 8.854 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -11.063 9.046 6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -11.237 10.697 4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -9.915 9.674 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.352 9.487 3.336 1.00 0.00 H new ATOM 865 N SER A 132 -11.639 3.569 6.373 1.00 0.00 N ATOM 866 CA SER A 132 -12.284 2.777 5.333 1.00 0.00 C ATOM 867 C SER A 132 -12.246 3.507 3.995 1.00 0.00 C ATOM 868 O SER A 132 -12.565 4.693 3.916 1.00 0.00 O ATOM 869 CB SER A 132 -13.731 2.470 5.719 1.00 0.00 C ATOM 870 OG SER A 132 -14.555 2.374 4.571 1.00 0.00 O ATOM 0 H SER A 132 -12.161 3.623 7.247 1.00 0.00 H new ATOM 0 HA SER A 132 -11.737 1.840 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 132 -13.771 1.535 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 132 -14.109 3.252 6.377 1.00 0.00 H new ATOM 0 HG SER A 132 -15.475 2.176 4.844 1.00 0.00 H new ATOM 876 N GLY A 133 -11.856 2.792 2.945 1.00 0.00 N ATOM 877 CA GLY A 133 -11.786 3.395 1.627 1.00 0.00 C ATOM 878 C GLY A 133 -11.825 2.368 0.514 1.00 0.00 C ATOM 879 O GLY A 133 -11.843 1.164 0.770 1.00 0.00 O ATOM 0 H GLY A 133 -11.588 1.809 2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.617 4.090 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.869 3.978 1.546 1.00 0.00 H new ATOM 883 N THR A 134 -11.839 2.844 -0.727 1.00 0.00 N ATOM 884 CA THR A 134 -11.878 1.962 -1.887 1.00 0.00 C ATOM 885 C THR A 134 -10.697 2.218 -2.816 1.00 0.00 C ATOM 886 O THR A 134 -10.648 3.238 -3.502 1.00 0.00 O ATOM 887 CB THR A 134 -13.183 2.157 -2.656 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.293 2.138 -1.775 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.415 1.100 -3.713 1.00 0.00 C ATOM 0 H THR A 134 -11.824 3.838 -0.955 1.00 0.00 H new ATOM 0 HA THR A 134 -11.818 0.935 -1.525 1.00 0.00 H new ATOM 0 HB THR A 134 -13.088 3.125 -3.148 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.119 2.266 -2.287 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.358 1.296 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.600 1.124 -4.436 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.454 0.117 -3.243 1.00 0.00 H new ATOM 897 N VAL A 135 -9.751 1.285 -2.844 1.00 0.00 N ATOM 898 CA VAL A 135 -8.582 1.418 -3.702 1.00 0.00 C ATOM 899 C VAL A 135 -8.999 1.777 -5.123 1.00 0.00 C ATOM 900 O VAL A 135 -10.039 1.328 -5.604 1.00 0.00 O ATOM 901 CB VAL A 135 -7.754 0.121 -3.733 1.00 0.00 C ATOM 902 CG1 VAL A 135 -8.647 -1.074 -4.030 1.00 0.00 C ATOM 903 CG2 VAL A 135 -6.633 0.229 -4.756 1.00 0.00 C ATOM 0 H VAL A 135 -9.772 0.432 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.967 2.216 -3.287 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.304 -0.027 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -8.045 -1.982 -4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -9.410 -1.160 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -9.127 -0.938 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.058 -0.697 -4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -7.058 0.401 -5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.979 1.060 -4.493 1.00 0.00 H new ATOM 913 N LYS A 136 -8.192 2.594 -5.793 1.00 0.00 N ATOM 914 CA LYS A 136 -8.498 3.010 -7.153 1.00 0.00 C ATOM 915 C LYS A 136 -7.354 2.676 -8.103 1.00 0.00 C ATOM 916 O LYS A 136 -7.543 2.623 -9.318 1.00 0.00 O ATOM 917 CB LYS A 136 -8.789 4.508 -7.188 1.00 0.00 C ATOM 918 CG LYS A 136 -10.064 4.892 -6.458 1.00 0.00 C ATOM 919 CD LYS A 136 -11.300 4.466 -7.236 1.00 0.00 C ATOM 920 CE LYS A 136 -11.557 5.386 -8.419 1.00 0.00 C ATOM 921 NZ LYS A 136 -11.465 4.661 -9.716 1.00 0.00 N ATOM 0 H LYS A 136 -7.325 2.978 -5.416 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.381 2.464 -7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -7.950 5.044 -6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -8.862 4.832 -8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -10.075 4.427 -5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -10.085 5.971 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.174 3.443 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -12.167 4.470 -6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -12.546 5.834 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -10.835 6.203 -8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -11.646 5.323 -10.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -10.513 4.255 -9.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -12.171 3.898 -9.738 1.00 0.00 H new ATOM 935 N ALA A 137 -6.167 2.456 -7.548 1.00 0.00 N ATOM 936 CA ALA A 137 -5.005 2.134 -8.363 1.00 0.00 C ATOM 937 C ALA A 137 -3.714 2.255 -7.564 1.00 0.00 C ATOM 938 O ALA A 137 -3.686 2.873 -6.500 1.00 0.00 O ATOM 939 CB ALA A 137 -4.961 3.045 -9.576 1.00 0.00 C ATOM 0 H ALA A 137 -5.986 2.495 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.095 1.098 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.090 2.800 -10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -5.866 2.907 -10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.896 4.083 -9.249 1.00 0.00 H new ATOM 945 N ILE A 138 -2.646 1.663 -8.089 1.00 0.00 N ATOM 946 CA ILE A 138 -1.350 1.710 -7.431 1.00 0.00 C ATOM 947 C ILE A 138 -0.417 2.678 -8.146 1.00 0.00 C ATOM 948 O ILE A 138 0.370 2.278 -9.004 1.00 0.00 O ATOM 949 CB ILE A 138 -0.687 0.316 -7.377 1.00 0.00 C ATOM 950 CG1 ILE A 138 -1.711 -0.781 -7.680 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.050 0.088 -6.016 1.00 0.00 C ATOM 952 CD1 ILE A 138 -2.848 -0.837 -6.684 1.00 0.00 C ATOM 0 H ILE A 138 -2.655 1.146 -8.968 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.523 2.054 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 138 0.093 0.275 -8.138 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.120 -0.620 -8.677 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.204 -1.746 -7.695 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.414 -0.898 -5.992 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.709 0.850 -5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.815 0.149 -5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.535 -1.637 -6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.450 -1.029 -5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.380 0.114 -6.685 1.00 0.00 H new ATOM 964 N LEU A 139 -0.509 3.957 -7.790 1.00 0.00 N ATOM 965 CA LEU A 139 0.332 4.978 -8.404 1.00 0.00 C ATOM 966 C LEU A 139 1.760 4.469 -8.545 1.00 0.00 C ATOM 967 O LEU A 139 2.494 4.882 -9.443 1.00 0.00 O ATOM 968 CB LEU A 139 0.309 6.263 -7.574 1.00 0.00 C ATOM 969 CG LEU A 139 -0.942 7.125 -7.753 1.00 0.00 C ATOM 970 CD1 LEU A 139 -1.203 7.953 -6.504 1.00 0.00 C ATOM 971 CD2 LEU A 139 -0.799 8.024 -8.972 1.00 0.00 C ATOM 0 H LEU A 139 -1.155 4.309 -7.083 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.062 5.200 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.403 5.999 -6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.184 6.860 -7.832 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.796 6.466 -7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.097 8.560 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.350 7.290 -5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.350 8.604 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.698 8.630 -9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.065 8.676 -8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.661 7.411 -9.862 1.00 0.00 H new ATOM 983 N VAL A 140 2.140 3.564 -7.653 1.00 0.00 N ATOM 984 CA VAL A 140 3.471 2.982 -7.669 1.00 0.00 C ATOM 985 C VAL A 140 3.433 1.561 -8.217 1.00 0.00 C ATOM 986 O VAL A 140 2.502 0.805 -7.940 1.00 0.00 O ATOM 987 CB VAL A 140 4.084 2.956 -6.259 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.347 2.108 -6.237 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.371 4.368 -5.774 1.00 0.00 C ATOM 0 H VAL A 140 1.539 3.217 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 140 4.088 3.606 -8.315 1.00 0.00 H new ATOM 0 HB VAL A 140 3.362 2.504 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.764 2.103 -5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.105 1.088 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.077 2.525 -6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.804 4.328 -4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.072 4.851 -6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.443 4.938 -5.745 1.00 0.00 H new ATOM 999 N GLU A 141 4.448 1.204 -8.991 1.00 0.00 N ATOM 1000 CA GLU A 141 4.525 -0.130 -9.573 1.00 0.00 C ATOM 1001 C GLU A 141 4.795 -1.169 -8.495 1.00 0.00 C ATOM 1002 O GLU A 141 5.941 -1.382 -8.099 1.00 0.00 O ATOM 1003 CB GLU A 141 5.622 -0.186 -10.636 1.00 0.00 C ATOM 1004 CG GLU A 141 5.114 0.061 -12.048 1.00 0.00 C ATOM 1005 CD GLU A 141 5.953 -0.637 -13.100 1.00 0.00 C ATOM 1006 OE1 GLU A 141 7.051 -1.124 -12.757 1.00 0.00 O ATOM 1007 OE2 GLU A 141 5.514 -0.694 -14.267 1.00 0.00 O ATOM 0 H GLU A 141 5.228 1.817 -9.230 1.00 0.00 H new ATOM 0 HA GLU A 141 3.567 -0.353 -10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.385 0.555 -10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.104 -1.163 -10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 141 4.082 -0.283 -12.124 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.108 1.133 -12.246 1.00 0.00 H new ATOM 1014 N SER A 142 3.734 -1.813 -8.022 1.00 0.00 N ATOM 1015 CA SER A 142 3.863 -2.829 -6.988 1.00 0.00 C ATOM 1016 C SER A 142 5.135 -3.643 -7.191 1.00 0.00 C ATOM 1017 O SER A 142 5.448 -4.054 -8.309 1.00 0.00 O ATOM 1018 CB SER A 142 2.651 -3.758 -6.988 1.00 0.00 C ATOM 1019 OG SER A 142 2.043 -3.807 -8.267 1.00 0.00 O ATOM 0 H SER A 142 2.778 -1.649 -8.338 1.00 0.00 H new ATOM 0 HA SER A 142 3.917 -2.322 -6.025 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.958 -4.760 -6.690 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.926 -3.414 -6.251 1.00 0.00 H new ATOM 0 HG SER A 142 1.271 -4.410 -8.239 1.00 0.00 H new ATOM 1025 N GLY A 143 5.864 -3.876 -6.107 1.00 0.00 N ATOM 1026 CA GLY A 143 7.093 -4.642 -6.195 1.00 0.00 C ATOM 1027 C GLY A 143 8.287 -3.784 -6.560 1.00 0.00 C ATOM 1028 O GLY A 143 9.157 -4.213 -7.319 1.00 0.00 O ATOM 0 H GLY A 143 5.627 -3.549 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.281 -5.133 -5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 143 6.974 -5.429 -6.940 1.00 0.00 H new ATOM 1032 N GLN A 144 8.332 -2.568 -6.024 1.00 0.00 N ATOM 1033 CA GLN A 144 9.436 -1.655 -6.308 1.00 0.00 C ATOM 1034 C GLN A 144 9.604 -0.629 -5.190 1.00 0.00 C ATOM 1035 O GLN A 144 8.709 -0.440 -4.366 1.00 0.00 O ATOM 1036 CB GLN A 144 9.209 -0.952 -7.652 1.00 0.00 C ATOM 1037 CG GLN A 144 8.505 0.392 -7.543 1.00 0.00 C ATOM 1038 CD GLN A 144 8.568 1.185 -8.835 1.00 0.00 C ATOM 1039 OE1 GLN A 144 9.106 0.717 -9.837 1.00 0.00 O ATOM 1040 NE2 GLN A 144 8.018 2.394 -8.816 1.00 0.00 N ATOM 0 H GLN A 144 7.622 -2.193 -5.395 1.00 0.00 H new ATOM 0 HA GLN A 144 10.354 -2.239 -6.366 1.00 0.00 H new ATOM 0 HB2 GLN A 144 10.173 -0.806 -8.140 1.00 0.00 H new ATOM 0 HB3 GLN A 144 8.621 -1.606 -8.296 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.462 0.232 -7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 144 8.960 0.973 -6.741 1.00 0.00 H new ATOM 0 HE21 GLN A 144 7.582 2.743 -7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 144 8.032 2.974 -9.655 1.00 0.00 H new ATOM 1049 N PRO A 145 10.765 0.045 -5.147 1.00 0.00 N ATOM 1050 CA PRO A 145 11.059 1.055 -4.125 1.00 0.00 C ATOM 1051 C PRO A 145 10.237 2.327 -4.303 1.00 0.00 C ATOM 1052 O PRO A 145 9.289 2.361 -5.090 1.00 0.00 O ATOM 1053 CB PRO A 145 12.546 1.350 -4.334 1.00 0.00 C ATOM 1054 CG PRO A 145 12.802 1.014 -5.762 1.00 0.00 C ATOM 1055 CD PRO A 145 11.882 -0.129 -6.094 1.00 0.00 C ATOM 0 HA PRO A 145 10.814 0.699 -3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 145 12.775 2.395 -4.126 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.166 0.749 -3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 145 12.605 1.872 -6.405 1.00 0.00 H new ATOM 0 HG3 PRO A 145 13.844 0.733 -5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 145 11.542 -0.084 -7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.374 -1.092 -5.962 1.00 0.00 H new ATOM 1063 N VAL A 146 10.606 3.369 -3.566 1.00 0.00 N ATOM 1064 CA VAL A 146 9.908 4.647 -3.636 1.00 0.00 C ATOM 1065 C VAL A 146 10.599 5.694 -2.770 1.00 0.00 C ATOM 1066 O VAL A 146 11.670 5.446 -2.216 1.00 0.00 O ATOM 1067 CB VAL A 146 8.441 4.513 -3.184 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.556 4.112 -4.355 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.320 3.512 -2.045 1.00 0.00 C ATOM 0 H VAL A 146 11.388 3.353 -2.911 1.00 0.00 H new ATOM 0 HA VAL A 146 9.931 4.964 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 146 8.103 5.483 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.524 4.022 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.618 4.871 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.892 3.155 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.277 3.432 -1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.677 2.537 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.920 3.849 -1.200 1.00 0.00 H new ATOM 1079 N GLU A 147 9.984 6.867 -2.656 1.00 0.00 N ATOM 1080 CA GLU A 147 10.547 7.947 -1.856 1.00 0.00 C ATOM 1081 C GLU A 147 9.446 8.766 -1.186 1.00 0.00 C ATOM 1082 O GLU A 147 8.302 8.778 -1.639 1.00 0.00 O ATOM 1083 CB GLU A 147 11.414 8.856 -2.728 1.00 0.00 C ATOM 1084 CG GLU A 147 12.902 8.578 -2.602 1.00 0.00 C ATOM 1085 CD GLU A 147 13.752 9.780 -2.963 1.00 0.00 C ATOM 1086 OE1 GLU A 147 13.897 10.063 -4.171 1.00 0.00 O ATOM 1087 OE2 GLU A 147 14.270 10.440 -2.037 1.00 0.00 O ATOM 0 H GLU A 147 9.097 7.093 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 147 11.166 7.501 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.117 8.737 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.223 9.895 -2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 147 13.126 8.273 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 147 13.168 7.742 -3.249 1.00 0.00 H new ATOM 1094 N PHE A 148 9.805 9.448 -0.102 1.00 0.00 N ATOM 1095 CA PHE A 148 8.854 10.272 0.636 1.00 0.00 C ATOM 1096 C PHE A 148 7.976 11.078 -0.317 1.00 0.00 C ATOM 1097 O PHE A 148 8.479 11.809 -1.171 1.00 0.00 O ATOM 1098 CB PHE A 148 9.602 11.214 1.584 1.00 0.00 C ATOM 1099 CG PHE A 148 8.729 11.843 2.634 1.00 0.00 C ATOM 1100 CD1 PHE A 148 7.423 11.405 2.833 1.00 0.00 C ATOM 1101 CD2 PHE A 148 9.216 12.875 3.429 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.621 11.986 3.802 1.00 0.00 C ATOM 1103 CE2 PHE A 148 8.419 13.460 4.399 1.00 0.00 C ATOM 1104 CZ PHE A 148 7.120 13.014 4.586 1.00 0.00 C ATOM 0 H PHE A 148 10.749 9.446 0.285 1.00 0.00 H new ATOM 0 HA PHE A 148 8.210 9.613 1.219 1.00 0.00 H new ATOM 0 HB2 PHE A 148 10.401 10.659 2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 148 10.074 12.003 0.998 1.00 0.00 H new ATOM 0 HD1 PHE A 148 7.030 10.603 2.225 1.00 0.00 H new ATOM 0 HD2 PHE A 148 10.228 13.225 3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.609 11.638 3.946 1.00 0.00 H new ATOM 0 HE2 PHE A 148 8.809 14.262 5.008 1.00 0.00 H new ATOM 0 HZ PHE A 148 6.497 13.468 5.343 1.00 0.00 H new ATOM 1114 N ASP A 149 6.662 10.937 -0.170 1.00 0.00 N ATOM 1115 CA ASP A 149 5.717 11.651 -1.023 1.00 0.00 C ATOM 1116 C ASP A 149 5.579 10.955 -2.369 1.00 0.00 C ATOM 1117 O ASP A 149 5.347 11.598 -3.394 1.00 0.00 O ATOM 1118 CB ASP A 149 6.168 13.098 -1.225 1.00 0.00 C ATOM 1119 CG ASP A 149 5.014 14.080 -1.154 1.00 0.00 C ATOM 1120 OD1 ASP A 149 3.888 13.648 -0.826 1.00 0.00 O ATOM 1121 OD2 ASP A 149 5.235 15.278 -1.428 1.00 0.00 O ATOM 0 H ASP A 149 6.228 10.336 0.530 1.00 0.00 H new ATOM 0 HA ASP A 149 4.745 11.651 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.907 13.355 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.661 13.190 -2.193 1.00 0.00 H new ATOM 1126 N GLU A 150 5.720 9.635 -2.357 1.00 0.00 N ATOM 1127 CA GLU A 150 5.609 8.846 -3.574 1.00 0.00 C ATOM 1128 C GLU A 150 4.350 7.988 -3.552 1.00 0.00 C ATOM 1129 O GLU A 150 4.416 6.776 -3.350 1.00 0.00 O ATOM 1130 CB GLU A 150 6.844 7.959 -3.747 1.00 0.00 C ATOM 1131 CG GLU A 150 6.881 7.219 -5.074 1.00 0.00 C ATOM 1132 CD GLU A 150 7.089 8.149 -6.253 1.00 0.00 C ATOM 1133 OE1 GLU A 150 7.264 9.364 -6.028 1.00 0.00 O ATOM 1134 OE2 GLU A 150 7.077 7.661 -7.403 1.00 0.00 O ATOM 0 H GLU A 150 5.912 9.090 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 150 5.544 9.533 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.739 8.575 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.876 7.233 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 150 7.683 6.481 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 150 5.948 6.672 -5.207 1.00 0.00 H new ATOM 1141 N PRO A 151 3.182 8.614 -3.765 1.00 0.00 N ATOM 1142 CA PRO A 151 1.901 7.915 -3.778 1.00 0.00 C ATOM 1143 C PRO A 151 2.014 6.522 -4.389 1.00 0.00 C ATOM 1144 O PRO A 151 2.456 6.368 -5.527 1.00 0.00 O ATOM 1145 CB PRO A 151 1.044 8.828 -4.650 1.00 0.00 C ATOM 1146 CG PRO A 151 1.558 10.201 -4.369 1.00 0.00 C ATOM 1147 CD PRO A 151 3.021 10.057 -4.017 1.00 0.00 C ATOM 0 HA PRO A 151 1.497 7.745 -2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.142 8.576 -5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.013 8.740 -4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.431 10.846 -5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 151 1.006 10.660 -3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.663 10.395 -4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.281 10.648 -3.139 1.00 0.00 H new ATOM 1155 N LEU A 152 1.626 5.509 -3.620 1.00 0.00 N ATOM 1156 CA LEU A 152 1.702 4.128 -4.085 1.00 0.00 C ATOM 1157 C LEU A 152 0.321 3.490 -4.178 1.00 0.00 C ATOM 1158 O LEU A 152 -0.057 2.958 -5.221 1.00 0.00 O ATOM 1159 CB LEU A 152 2.581 3.297 -3.147 1.00 0.00 C ATOM 1160 CG LEU A 152 3.588 4.092 -2.315 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.402 3.802 -0.833 1.00 0.00 C ATOM 1162 CD2 LEU A 152 5.008 3.763 -2.748 1.00 0.00 C ATOM 0 H LEU A 152 1.257 5.618 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 152 2.142 4.145 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.934 2.740 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.126 2.564 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 152 3.412 5.155 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.127 4.376 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.393 4.083 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.552 2.738 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.714 4.336 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.194 2.698 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 152 5.136 4.018 -3.800 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.425 3.535 -3.080 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.755 2.948 -3.035 1.00 0.00 C ATOM 1176 C VAL A 153 -2.835 4.023 -3.007 1.00 0.00 C ATOM 1177 O VAL A 153 -3.021 4.713 -2.003 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.915 2.026 -1.807 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.272 2.653 -0.580 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.383 1.713 -1.551 1.00 0.00 C ATOM 0 H VAL A 153 -0.129 3.974 -2.208 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.873 2.355 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.404 1.087 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.395 1.988 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.210 2.811 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.749 3.610 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.470 1.062 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -3.926 2.640 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.806 1.213 -2.422 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.547 4.148 -4.120 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.622 5.126 -4.245 1.00 0.00 C ATOM 1192 C VAL A 154 -5.959 4.523 -3.831 1.00 0.00 C ATOM 1193 O VAL A 154 -6.261 3.374 -4.159 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.742 5.650 -5.687 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.613 6.896 -5.732 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.367 5.931 -6.270 1.00 0.00 C ATOM 0 H VAL A 154 -3.398 3.581 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.373 5.955 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.218 4.880 -6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.686 7.252 -6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.609 6.657 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.169 7.673 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.473 6.301 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -2.861 6.681 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -2.780 5.013 -6.276 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.757 5.304 -3.110 1.00 0.00 N ATOM 1207 CA ILE A 155 -8.062 4.846 -2.651 1.00 0.00 C ATOM 1208 C ILE A 155 -9.098 5.963 -2.732 1.00 0.00 C ATOM 1209 O ILE A 155 -8.801 7.121 -2.439 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.992 4.329 -1.202 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -6.865 3.306 -1.055 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.323 3.719 -0.796 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.498 3.014 0.383 1.00 0.00 C ATOM 0 H ILE A 155 -6.522 6.257 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.363 4.030 -3.308 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.781 5.170 -0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.163 2.377 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -5.982 3.672 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.260 3.358 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -10.106 4.474 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.560 2.887 -1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.692 2.280 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -6.169 3.933 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.368 2.618 0.907 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.318 5.608 -3.129 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.398 6.583 -3.245 1.00 0.00 C ATOM 1227 C GLU A 156 -12.127 6.747 -1.916 1.00 0.00 C ATOM 1228 O GLU A 156 -11.942 5.886 -1.030 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.384 6.155 -4.334 1.00 0.00 C ATOM 1230 CG GLU A 156 -13.269 7.287 -4.831 1.00 0.00 C ATOM 1231 CD GLU A 156 -14.607 6.797 -5.351 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -14.671 5.646 -5.832 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -15.589 7.564 -5.278 1.00 0.00 O ATOM 1234 OXT GLU A 156 -12.876 7.736 -1.772 1.00 0.00 O ATOM 0 H GLU A 156 -10.582 4.654 -3.375 1.00 0.00 H new ATOM 0 HA GLU A 156 -10.961 7.543 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -11.827 5.744 -5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -13.015 5.354 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -13.436 7.995 -4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -12.751 7.827 -5.624 1.00 0.00 H new