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 110 ASN : amide:sc= -4.76! C(o=-5.5!,f=-6.9!) USER MOD Set 1.2: A 132 SER OG : rot -5:sc= -0.753 USER MOD Single : A 81 HIS :FLIP no HD1:sc= -3.62! C(o=-5.1!,f=-3.6!) USER MOD Single : A 85 SER OG : rot -85:sc= 1.18 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0382 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -2.14! C(o=-2.1!,f=-5.3!) USER MOD Single : A 108 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.302) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 116 CYS SG : rot 150:sc= -3.8! USER MOD Single : A 121 MET CE :methyl -156:sc=-0.00762 (180deg=-0.641) USER MOD Single : A 122 LYS NZ :NH3+ -127:sc= -0.789 (180deg=-2.53!) USER MOD Single : A 123 MET CE :methyl -151:sc= -0.117 (180deg=-0.719) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.0613 X(o=-0.061,f=-0.19) USER MOD Single : A 126 GLN : amide:sc= 0.0943 K(o=0.094,f=-2.1) USER MOD Single : A 131 LYS NZ :NH3+ -136:sc= -0.185 (180deg=-0.504) 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= 0.0128 USER MOD Single : A 144 GLN : amide:sc= -6.23! C(o=-6.2!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -8.240 11.149 -3.356 1.00 0.00 N ATOM 67 CA GLY A 80 -9.043 10.154 -2.670 1.00 0.00 C ATOM 68 C GLY A 80 -8.438 9.735 -1.345 1.00 0.00 C ATOM 69 O GLY A 80 -8.868 10.193 -0.286 1.00 0.00 O ATOM 0 HA2 GLY A 80 -10.043 10.553 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.154 9.278 -3.309 1.00 0.00 H new ATOM 73 N HIS A 81 -7.437 8.863 -1.404 1.00 0.00 N ATOM 74 CA HIS A 81 -6.771 8.382 -0.200 1.00 0.00 C ATOM 75 C HIS A 81 -5.600 7.474 -0.553 1.00 0.00 C ATOM 76 O HIS A 81 -5.700 6.251 -0.456 1.00 0.00 O ATOM 77 CB HIS A 81 -7.757 7.628 0.692 1.00 0.00 C ATOM 78 CG HIS A 81 -7.105 6.938 1.851 1.00 0.00 C ATOM 79 ND1 HIS A 81 -6.488 5.733 1.936 1.00 0.00 N flip ATOM 80 CD2 HIS A 81 -7.036 7.490 3.112 1.00 0.00 C flip ATOM 81 CE1 HIS A 81 -6.065 5.584 3.234 1.00 0.00 C flip ATOM 82 NE2 HIS A 81 -6.407 6.657 3.922 1.00 0.00 N flip ATOM 0 H HIS A 81 -7.069 8.475 -2.273 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.391 9.248 0.341 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.503 8.328 1.069 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.287 6.889 0.091 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.434 8.453 3.394 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.538 4.728 3.628 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -6.218 6.816 4.912 1.00 0.00 H new ATOM 91 N ILE A 82 -4.489 8.074 -0.960 1.00 0.00 N ATOM 92 CA ILE A 82 -3.306 7.307 -1.321 1.00 0.00 C ATOM 93 C ILE A 82 -2.478 6.967 -0.091 1.00 0.00 C ATOM 94 O ILE A 82 -2.818 7.354 1.027 1.00 0.00 O ATOM 95 CB ILE A 82 -2.411 8.064 -2.323 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.187 9.194 -2.991 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.854 7.107 -3.366 1.00 0.00 C ATOM 98 CD1 ILE A 82 -4.527 8.761 -3.533 1.00 0.00 C ATOM 0 H ILE A 82 -4.383 9.085 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.666 6.391 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.576 8.502 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.337 9.998 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.589 9.604 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.225 7.657 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.261 6.337 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.677 6.640 -3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.025 9.613 -3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.383 7.978 -4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.142 8.378 -2.719 1.00 0.00 H new ATOM 110 N VAL A 83 -1.387 6.248 -0.308 1.00 0.00 N ATOM 111 CA VAL A 83 -0.500 5.858 0.780 1.00 0.00 C ATOM 112 C VAL A 83 0.949 6.186 0.444 1.00 0.00 C ATOM 113 O VAL A 83 1.860 5.425 0.773 1.00 0.00 O ATOM 114 CB VAL A 83 -0.611 4.355 1.097 1.00 0.00 C ATOM 115 CG1 VAL A 83 0.197 4.011 2.339 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.067 3.951 1.271 1.00 0.00 C ATOM 0 H VAL A 83 -1.093 5.922 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.811 6.426 1.657 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.201 3.794 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.107 2.945 2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.245 4.261 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.181 4.580 3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.125 2.886 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.506 4.518 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.615 4.159 0.352 1.00 0.00 H new ATOM 126 N ARG A 84 1.153 7.325 -0.214 1.00 0.00 N ATOM 127 CA ARG A 84 2.491 7.760 -0.598 1.00 0.00 C ATOM 128 C ARG A 84 3.519 7.341 0.445 1.00 0.00 C ATOM 129 O ARG A 84 3.441 7.743 1.606 1.00 0.00 O ATOM 130 CB ARG A 84 2.521 9.279 -0.779 1.00 0.00 C ATOM 131 CG ARG A 84 1.575 10.020 0.151 1.00 0.00 C ATOM 132 CD ARG A 84 1.671 11.526 -0.038 1.00 0.00 C ATOM 133 NE ARG A 84 0.712 12.243 0.799 1.00 0.00 N ATOM 134 CZ ARG A 84 -0.582 12.348 0.511 1.00 0.00 C ATOM 135 NH1 ARG A 84 -1.066 11.784 -0.587 1.00 0.00 N ATOM 136 NH2 ARG A 84 -1.391 13.015 1.321 1.00 0.00 N ATOM 0 H ARG A 84 0.407 7.963 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 84 2.745 7.282 -1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.537 9.637 -0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.265 9.519 -1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.552 9.694 -0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.808 9.767 1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.681 11.858 0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.494 11.772 -1.085 1.00 0.00 H new ATOM 0 HE ARG A 84 1.054 12.687 1.651 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.446 11.269 -1.212 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.059 11.865 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.022 13.449 2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.383 13.095 1.099 1.00 0.00 H new ATOM 150 N SER A 85 4.480 6.525 0.023 1.00 0.00 N ATOM 151 CA SER A 85 5.525 6.044 0.920 1.00 0.00 C ATOM 152 C SER A 85 5.901 7.111 1.942 1.00 0.00 C ATOM 153 O SER A 85 6.595 8.075 1.622 1.00 0.00 O ATOM 154 CB SER A 85 6.762 5.629 0.121 1.00 0.00 C ATOM 155 OG SER A 85 7.567 4.724 0.859 1.00 0.00 O ATOM 0 H SER A 85 4.557 6.183 -0.935 1.00 0.00 H new ATOM 0 HA SER A 85 5.137 5.176 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.455 5.166 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.346 6.513 -0.137 1.00 0.00 H new ATOM 0 HG SER A 85 8.165 5.226 1.451 1.00 0.00 H new ATOM 161 N PRO A 86 5.446 6.947 3.193 1.00 0.00 N ATOM 162 CA PRO A 86 5.737 7.895 4.271 1.00 0.00 C ATOM 163 C PRO A 86 7.213 8.268 4.323 1.00 0.00 C ATOM 164 O PRO A 86 7.583 9.315 4.854 1.00 0.00 O ATOM 165 CB PRO A 86 5.331 7.127 5.528 1.00 0.00 C ATOM 166 CG PRO A 86 4.268 6.189 5.070 1.00 0.00 C ATOM 167 CD PRO A 86 4.616 5.818 3.652 1.00 0.00 C ATOM 0 HA PRO A 86 5.210 8.841 4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.178 6.589 5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.959 7.800 6.301 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.230 5.304 5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.286 6.660 5.119 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.161 4.875 3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.723 5.701 3.038 1.00 0.00 H new ATOM 175 N MET A 87 8.052 7.402 3.764 1.00 0.00 N ATOM 176 CA MET A 87 9.491 7.634 3.738 1.00 0.00 C ATOM 177 C MET A 87 10.120 6.959 2.524 1.00 0.00 C ATOM 178 O MET A 87 9.417 6.501 1.624 1.00 0.00 O ATOM 179 CB MET A 87 10.137 7.110 5.021 1.00 0.00 C ATOM 180 CG MET A 87 10.241 5.594 5.076 1.00 0.00 C ATOM 181 SD MET A 87 9.400 4.891 6.507 1.00 0.00 S ATOM 182 CE MET A 87 10.570 5.275 7.808 1.00 0.00 C ATOM 0 H MET A 87 7.759 6.531 3.322 1.00 0.00 H new ATOM 0 HA MET A 87 9.664 8.708 3.669 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.135 7.538 5.116 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.558 7.457 5.877 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.816 5.171 4.166 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.292 5.307 5.100 1.00 0.00 H new ATOM 0 HE1 MET A 87 10.191 4.903 8.760 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.527 4.801 7.588 1.00 0.00 H new ATOM 0 HE3 MET A 87 10.705 6.355 7.869 1.00 0.00 H new ATOM 192 N VAL A 88 11.446 6.901 2.505 1.00 0.00 N ATOM 193 CA VAL A 88 12.163 6.281 1.400 1.00 0.00 C ATOM 194 C VAL A 88 12.126 4.759 1.508 1.00 0.00 C ATOM 195 O VAL A 88 13.166 4.103 1.545 1.00 0.00 O ATOM 196 CB VAL A 88 13.631 6.745 1.349 1.00 0.00 C ATOM 197 CG1 VAL A 88 14.366 6.079 0.196 1.00 0.00 C ATOM 198 CG2 VAL A 88 13.707 8.261 1.236 1.00 0.00 C ATOM 0 H VAL A 88 12.045 7.275 3.241 1.00 0.00 H new ATOM 0 HA VAL A 88 11.661 6.592 0.484 1.00 0.00 H new ATOM 0 HB VAL A 88 14.119 6.447 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.401 6.421 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.343 4.997 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.881 6.341 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.751 8.571 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.202 8.584 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.222 8.715 2.100 1.00 0.00 H new ATOM 208 N GLY A 89 10.917 4.203 1.560 1.00 0.00 N ATOM 209 CA GLY A 89 10.768 2.763 1.666 1.00 0.00 C ATOM 210 C GLY A 89 10.369 2.124 0.350 1.00 0.00 C ATOM 211 O GLY A 89 10.666 2.654 -0.721 1.00 0.00 O ATOM 0 H GLY A 89 10.041 4.724 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.707 2.328 2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.016 2.533 2.421 1.00 0.00 H new ATOM 215 N THR A 90 9.695 0.980 0.428 1.00 0.00 N ATOM 216 CA THR A 90 9.257 0.269 -0.768 1.00 0.00 C ATOM 217 C THR A 90 7.783 -0.110 -0.676 1.00 0.00 C ATOM 218 O THR A 90 7.278 -0.429 0.401 1.00 0.00 O ATOM 219 CB THR A 90 10.098 -0.991 -0.982 1.00 0.00 C ATOM 220 OG1 THR A 90 11.412 -0.655 -1.390 1.00 0.00 O ATOM 221 CG2 THR A 90 9.519 -1.928 -2.022 1.00 0.00 C ATOM 0 H THR A 90 9.441 0.527 1.306 1.00 0.00 H new ATOM 0 HA THR A 90 9.391 0.939 -1.617 1.00 0.00 H new ATOM 0 HB THR A 90 10.103 -1.501 -0.019 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.934 -1.474 -1.520 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.164 -2.801 -2.125 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.524 -2.247 -1.711 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.452 -1.412 -2.980 1.00 0.00 H new ATOM 229 N PHE A 91 7.104 -0.079 -1.816 1.00 0.00 N ATOM 230 CA PHE A 91 5.690 -0.426 -1.879 1.00 0.00 C ATOM 231 C PHE A 91 5.524 -1.909 -2.192 1.00 0.00 C ATOM 232 O PHE A 91 6.327 -2.485 -2.922 1.00 0.00 O ATOM 233 CB PHE A 91 4.993 0.421 -2.948 1.00 0.00 C ATOM 234 CG PHE A 91 3.617 -0.062 -3.314 1.00 0.00 C ATOM 235 CD1 PHE A 91 2.501 0.381 -2.609 1.00 0.00 C ATOM 236 CD2 PHE A 91 3.433 -0.951 -4.371 1.00 0.00 C ATOM 237 CE1 PHE A 91 1.233 -0.052 -2.951 1.00 0.00 C ATOM 238 CE2 PHE A 91 2.164 -1.387 -4.713 1.00 0.00 C ATOM 239 CZ PHE A 91 1.065 -0.936 -4.002 1.00 0.00 C ATOM 0 H PHE A 91 7.512 0.184 -2.713 1.00 0.00 H new ATOM 0 HA PHE A 91 5.233 -0.222 -0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.923 1.449 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.612 0.435 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.627 1.070 -1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.288 -1.303 -4.929 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.374 0.300 -2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.032 -2.078 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.075 -1.275 -4.268 1.00 0.00 H new ATOM 249 N TYR A 92 4.485 -2.524 -1.632 1.00 0.00 N ATOM 250 CA TYR A 92 4.229 -3.944 -1.857 1.00 0.00 C ATOM 251 C TYR A 92 2.735 -4.242 -1.866 1.00 0.00 C ATOM 252 O TYR A 92 1.941 -3.523 -1.258 1.00 0.00 O ATOM 253 CB TYR A 92 4.917 -4.788 -0.783 1.00 0.00 C ATOM 254 CG TYR A 92 6.413 -4.895 -0.965 1.00 0.00 C ATOM 255 CD1 TYR A 92 6.974 -4.971 -2.238 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.266 -4.916 0.136 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.349 -5.065 -2.409 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.639 -5.008 -0.025 1.00 0.00 C ATOM 259 CZ TYR A 92 9.175 -5.082 -1.299 1.00 0.00 C ATOM 260 OH TYR A 92 10.538 -5.174 -1.462 1.00 0.00 O ATOM 0 H TYR A 92 3.810 -2.064 -1.022 1.00 0.00 H new ATOM 0 HA TYR A 92 4.637 -4.202 -2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.708 -4.356 0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.486 -5.789 -0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.330 -4.957 -3.105 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.850 -4.860 1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.771 -5.124 -3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.287 -5.022 0.839 1.00 0.00 H new ATOM 0 HH TYR A 92 10.973 -5.172 -0.584 1.00 0.00 H new ATOM 270 N ARG A 93 2.363 -5.314 -2.557 1.00 0.00 N ATOM 271 CA ARG A 93 0.968 -5.722 -2.648 1.00 0.00 C ATOM 272 C ARG A 93 0.854 -7.243 -2.674 1.00 0.00 C ATOM 273 O ARG A 93 -0.116 -7.795 -3.190 1.00 0.00 O ATOM 274 CB ARG A 93 0.319 -5.128 -3.899 1.00 0.00 C ATOM 275 CG ARG A 93 1.101 -5.391 -5.174 1.00 0.00 C ATOM 276 CD ARG A 93 0.363 -4.872 -6.397 1.00 0.00 C ATOM 277 NE ARG A 93 0.602 -5.702 -7.574 1.00 0.00 N ATOM 278 CZ ARG A 93 0.292 -6.993 -7.640 1.00 0.00 C ATOM 279 NH1 ARG A 93 -0.269 -7.595 -6.602 1.00 0.00 N ATOM 280 NH2 ARG A 93 0.542 -7.680 -8.746 1.00 0.00 N ATOM 0 H ARG A 93 3.011 -5.917 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 93 0.445 -5.348 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.685 -5.539 -4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.210 -4.052 -3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.078 -4.913 -5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.276 -6.462 -5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.706 -4.839 -6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.679 -3.850 -6.604 1.00 0.00 H new ATOM 0 HE ARG A 93 1.031 -5.267 -8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.464 -7.068 -5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.506 -8.586 -6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.973 -7.218 -9.547 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.304 -8.671 -8.796 1.00 0.00 H new ATOM 294 N THR A 94 1.856 -7.914 -2.112 1.00 0.00 N ATOM 295 CA THR A 94 1.871 -9.370 -2.067 1.00 0.00 C ATOM 296 C THR A 94 2.645 -9.869 -0.851 1.00 0.00 C ATOM 297 O THR A 94 3.875 -9.912 -0.859 1.00 0.00 O ATOM 298 CB THR A 94 2.491 -9.936 -3.346 1.00 0.00 C ATOM 299 OG1 THR A 94 3.494 -9.068 -3.845 1.00 0.00 O ATOM 300 CG2 THR A 94 1.481 -10.154 -4.453 1.00 0.00 C ATOM 0 H THR A 94 2.668 -7.471 -1.682 1.00 0.00 H new ATOM 0 HA THR A 94 0.840 -9.715 -1.987 1.00 0.00 H new ATOM 0 HB THR A 94 2.910 -10.901 -3.062 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.879 -9.449 -4.662 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.985 -10.557 -5.332 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.720 -10.858 -4.117 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.010 -9.205 -4.708 1.00 0.00 H new ATOM 308 N PRO A 95 1.925 -10.255 0.211 1.00 0.00 N ATOM 309 CA PRO A 95 2.538 -10.756 1.446 1.00 0.00 C ATOM 310 C PRO A 95 3.195 -12.118 1.252 1.00 0.00 C ATOM 311 O PRO A 95 4.201 -12.429 1.889 1.00 0.00 O ATOM 312 CB PRO A 95 1.355 -10.866 2.412 1.00 0.00 C ATOM 313 CG PRO A 95 0.162 -11.024 1.535 1.00 0.00 C ATOM 314 CD PRO A 95 0.454 -10.233 0.290 1.00 0.00 C ATOM 0 HA PRO A 95 3.335 -10.102 1.801 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.469 -11.718 3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.271 -9.977 3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.012 -12.074 1.298 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.737 -10.656 2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.003 -10.685 -0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.070 -9.215 0.361 1.00 0.00 H new ATOM 322 N SER A 96 2.620 -12.925 0.366 1.00 0.00 N ATOM 323 CA SER A 96 3.151 -14.253 0.085 1.00 0.00 C ATOM 324 C SER A 96 3.466 -14.408 -1.399 1.00 0.00 C ATOM 325 O SER A 96 2.726 -13.925 -2.256 1.00 0.00 O ATOM 326 CB SER A 96 2.151 -15.327 0.523 1.00 0.00 C ATOM 327 OG SER A 96 2.510 -15.877 1.778 1.00 0.00 O ATOM 0 H SER A 96 1.786 -12.682 -0.169 1.00 0.00 H new ATOM 0 HA SER A 96 4.076 -14.376 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.152 -14.895 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.111 -16.118 -0.226 1.00 0.00 H new ATOM 0 HG SER A 96 1.855 -16.559 2.036 1.00 0.00 H new ATOM 333 N PRO A 97 4.576 -15.089 -1.719 1.00 0.00 N ATOM 334 CA PRO A 97 4.997 -15.312 -3.105 1.00 0.00 C ATOM 335 C PRO A 97 3.888 -15.916 -3.959 1.00 0.00 C ATOM 336 O PRO A 97 3.562 -17.095 -3.827 1.00 0.00 O ATOM 337 CB PRO A 97 6.163 -16.294 -2.970 1.00 0.00 C ATOM 338 CG PRO A 97 6.693 -16.066 -1.597 1.00 0.00 C ATOM 339 CD PRO A 97 5.508 -15.694 -0.751 1.00 0.00 C ATOM 0 HA PRO A 97 5.263 -14.380 -3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.830 -17.324 -3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.927 -16.108 -3.725 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.180 -16.962 -1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.439 -15.271 -1.594 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.072 -16.566 -0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.781 -14.992 0.037 1.00 0.00 H new ATOM 347 N ASP A 98 3.312 -15.099 -4.835 1.00 0.00 N ATOM 348 CA ASP A 98 2.239 -15.554 -5.712 1.00 0.00 C ATOM 349 C ASP A 98 0.952 -15.788 -4.927 1.00 0.00 C ATOM 350 O ASP A 98 0.181 -16.695 -5.239 1.00 0.00 O ATOM 351 CB ASP A 98 2.650 -16.838 -6.434 1.00 0.00 C ATOM 352 CG ASP A 98 1.730 -17.170 -7.592 1.00 0.00 C ATOM 353 OD1 ASP A 98 0.634 -16.576 -7.669 1.00 0.00 O ATOM 354 OD2 ASP A 98 2.106 -18.024 -8.421 1.00 0.00 O ATOM 0 H ASP A 98 3.570 -14.120 -4.956 1.00 0.00 H new ATOM 0 HA ASP A 98 2.055 -14.773 -6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 98 3.670 -16.733 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.650 -17.666 -5.725 1.00 0.00 H new ATOM 359 N ALA A 99 0.728 -14.964 -3.909 1.00 0.00 N ATOM 360 CA ALA A 99 -0.465 -15.083 -3.081 1.00 0.00 C ATOM 361 C ALA A 99 -1.628 -14.300 -3.683 1.00 0.00 C ATOM 362 O ALA A 99 -1.672 -14.068 -4.892 1.00 0.00 O ATOM 363 CB ALA A 99 -0.177 -14.598 -1.669 1.00 0.00 C ATOM 0 H ALA A 99 1.356 -14.208 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.748 -16.135 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.077 -14.692 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.620 -15.200 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.132 -13.553 -1.699 1.00 0.00 H new ATOM 369 N LYS A 100 -2.566 -13.897 -2.834 1.00 0.00 N ATOM 370 CA LYS A 100 -3.728 -13.139 -3.285 1.00 0.00 C ATOM 371 C LYS A 100 -3.491 -11.640 -3.131 1.00 0.00 C ATOM 372 O LYS A 100 -4.437 -10.859 -3.033 1.00 0.00 O ATOM 373 CB LYS A 100 -4.972 -13.553 -2.496 1.00 0.00 C ATOM 374 CG LYS A 100 -5.087 -15.054 -2.284 1.00 0.00 C ATOM 375 CD LYS A 100 -4.855 -15.818 -3.577 1.00 0.00 C ATOM 376 CE LYS A 100 -6.159 -16.069 -4.317 1.00 0.00 C ATOM 377 NZ LYS A 100 -5.950 -16.873 -5.553 1.00 0.00 N ATOM 0 H LYS A 100 -2.545 -14.082 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.886 -13.359 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.958 -13.057 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.859 -13.200 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.361 -15.374 -1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.076 -15.292 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.175 -15.255 -4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.371 -16.770 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.855 -16.589 -3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.618 -15.115 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.863 -17.022 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.305 -16.366 -6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.536 -17.793 -5.302 1.00 0.00 H new ATOM 391 N ALA A 101 -2.222 -11.248 -3.108 1.00 0.00 N ATOM 392 CA ALA A 101 -1.860 -9.843 -2.966 1.00 0.00 C ATOM 393 C ALA A 101 -2.461 -9.249 -1.697 1.00 0.00 C ATOM 394 O ALA A 101 -3.335 -9.850 -1.072 1.00 0.00 O ATOM 395 CB ALA A 101 -2.312 -9.055 -4.186 1.00 0.00 C ATOM 0 H ALA A 101 -1.428 -11.883 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.775 -9.778 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.035 -8.008 -4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.831 -9.457 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.394 -9.134 -4.290 1.00 0.00 H new ATOM 401 N PHE A 102 -1.989 -8.065 -1.323 1.00 0.00 N ATOM 402 CA PHE A 102 -2.481 -7.388 -0.131 1.00 0.00 C ATOM 403 C PHE A 102 -3.787 -6.660 -0.426 1.00 0.00 C ATOM 404 O PHE A 102 -4.781 -6.834 0.278 1.00 0.00 O ATOM 405 CB PHE A 102 -1.434 -6.401 0.392 1.00 0.00 C ATOM 406 CG PHE A 102 -1.101 -6.593 1.845 1.00 0.00 C ATOM 407 CD1 PHE A 102 -2.089 -6.956 2.753 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.201 -6.413 2.306 1.00 0.00 C ATOM 409 CE1 PHE A 102 -1.787 -7.135 4.094 1.00 0.00 C ATOM 410 CE2 PHE A 102 0.507 -6.590 3.647 1.00 0.00 C ATOM 411 CZ PHE A 102 -0.488 -6.953 4.541 1.00 0.00 C ATOM 0 H PHE A 102 -1.266 -7.554 -1.829 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.669 -8.140 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.523 -6.504 -0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.798 -5.385 0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.103 -7.100 2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.980 -6.133 1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.564 -7.416 4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.519 -6.445 3.994 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.251 -7.094 5.585 1.00 0.00 H new ATOM 421 N ILE A 103 -3.778 -5.847 -1.479 1.00 0.00 N ATOM 422 CA ILE A 103 -4.962 -5.095 -1.874 1.00 0.00 C ATOM 423 C ILE A 103 -4.951 -4.804 -3.370 1.00 0.00 C ATOM 424 O ILE A 103 -3.890 -4.636 -3.973 1.00 0.00 O ATOM 425 CB ILE A 103 -5.074 -3.761 -1.109 1.00 0.00 C ATOM 426 CG1 ILE A 103 -4.334 -3.838 0.226 1.00 0.00 C ATOM 427 CG2 ILE A 103 -6.534 -3.402 -0.887 1.00 0.00 C ATOM 428 CD1 ILE A 103 -5.132 -4.512 1.315 1.00 0.00 C ATOM 0 H ILE A 103 -2.963 -5.693 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.822 -5.717 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.610 -2.980 -1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.398 -4.379 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -4.074 -2.830 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -6.598 -2.458 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -7.035 -3.303 -1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -7.017 -4.187 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -4.547 -4.533 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -6.056 -3.959 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -5.370 -5.532 1.013 1.00 0.00 H new ATOM 440 N GLU A 104 -6.138 -4.743 -3.966 1.00 0.00 N ATOM 441 CA GLU A 104 -6.265 -4.467 -5.391 1.00 0.00 C ATOM 442 C GLU A 104 -7.490 -3.604 -5.669 1.00 0.00 C ATOM 443 O GLU A 104 -8.490 -3.683 -4.955 1.00 0.00 O ATOM 444 CB GLU A 104 -6.359 -5.775 -6.181 1.00 0.00 C ATOM 445 CG GLU A 104 -5.164 -6.028 -7.085 1.00 0.00 C ATOM 446 CD GLU A 104 -5.528 -6.818 -8.326 1.00 0.00 C ATOM 447 OE1 GLU A 104 -6.695 -7.251 -8.433 1.00 0.00 O ATOM 448 OE2 GLU A 104 -4.646 -7.006 -9.190 1.00 0.00 O ATOM 0 H GLU A 104 -7.026 -4.881 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.377 -3.922 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.457 -6.605 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.265 -5.759 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.729 -5.074 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.399 -6.568 -6.527 1.00 0.00 H new ATOM 455 N VAL A 105 -7.407 -2.780 -6.709 1.00 0.00 N ATOM 456 CA VAL A 105 -8.511 -1.903 -7.076 1.00 0.00 C ATOM 457 C VAL A 105 -9.840 -2.649 -7.035 1.00 0.00 C ATOM 458 O VAL A 105 -10.011 -3.671 -7.699 1.00 0.00 O ATOM 459 CB VAL A 105 -8.314 -1.306 -8.481 1.00 0.00 C ATOM 460 CG1 VAL A 105 -9.341 -0.215 -8.746 1.00 0.00 C ATOM 461 CG2 VAL A 105 -6.900 -0.768 -8.641 1.00 0.00 C ATOM 0 H VAL A 105 -6.587 -2.702 -7.311 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.527 -1.093 -6.346 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.461 -2.098 -9.216 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.186 0.196 -9.744 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.344 -0.636 -8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.229 0.578 -8.006 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.781 -0.350 -9.641 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.721 0.010 -7.899 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.184 -1.578 -8.498 1.00 0.00 H new ATOM 471 N GLY A 106 -10.777 -2.132 -6.247 1.00 0.00 N ATOM 472 CA GLY A 106 -12.078 -2.762 -6.131 1.00 0.00 C ATOM 473 C GLY A 106 -12.430 -3.099 -4.695 1.00 0.00 C ATOM 474 O GLY A 106 -13.597 -3.043 -4.305 1.00 0.00 O ATOM 0 H GLY A 106 -10.658 -1.288 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.838 -2.098 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.092 -3.673 -6.729 1.00 0.00 H new ATOM 478 N GLN A 107 -11.419 -3.447 -3.905 1.00 0.00 N ATOM 479 CA GLN A 107 -11.628 -3.793 -2.504 1.00 0.00 C ATOM 480 C GLN A 107 -11.892 -2.542 -1.672 1.00 0.00 C ATOM 481 O GLN A 107 -11.298 -1.491 -1.908 1.00 0.00 O ATOM 482 CB GLN A 107 -10.411 -4.538 -1.954 1.00 0.00 C ATOM 483 CG GLN A 107 -10.399 -6.020 -2.292 1.00 0.00 C ATOM 484 CD GLN A 107 -11.091 -6.324 -3.608 1.00 0.00 C ATOM 485 OE1 GLN A 107 -12.301 -6.147 -3.741 1.00 0.00 O ATOM 486 NE2 GLN A 107 -10.322 -6.784 -4.588 1.00 0.00 N ATOM 0 H GLN A 107 -10.447 -3.497 -4.211 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.501 -4.443 -2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.505 -4.077 -2.348 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -10.383 -4.421 -0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.368 -6.370 -2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.888 -6.575 -1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.322 -6.915 -4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.731 -7.006 -5.496 1.00 0.00 H new ATOM 495 N LYS A 108 -12.790 -2.663 -0.700 1.00 0.00 N ATOM 496 CA LYS A 108 -13.134 -1.540 0.165 1.00 0.00 C ATOM 497 C LYS A 108 -12.478 -1.682 1.535 1.00 0.00 C ATOM 498 O LYS A 108 -12.947 -2.439 2.384 1.00 0.00 O ATOM 499 CB LYS A 108 -14.652 -1.437 0.323 1.00 0.00 C ATOM 500 CG LYS A 108 -15.415 -1.690 -0.966 1.00 0.00 C ATOM 501 CD LYS A 108 -16.765 -0.991 -0.961 1.00 0.00 C ATOM 502 CE LYS A 108 -17.861 -1.890 -1.507 1.00 0.00 C ATOM 503 NZ LYS A 108 -17.500 -2.466 -2.832 1.00 0.00 N ATOM 0 H LYS A 108 -13.292 -3.526 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.760 -0.629 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.980 -2.153 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.904 -0.444 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.826 -1.340 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.560 -2.762 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.015 -0.688 0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.707 -0.082 -1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -18.053 -2.698 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.786 -1.320 -1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.367 -2.703 -3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.948 -1.771 -3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.933 -3.327 -2.694 1.00 0.00 H new ATOM 517 N VAL A 109 -11.391 -0.945 1.744 1.00 0.00 N ATOM 518 CA VAL A 109 -10.672 -0.984 3.011 1.00 0.00 C ATOM 519 C VAL A 109 -11.528 -0.411 4.137 1.00 0.00 C ATOM 520 O VAL A 109 -12.530 0.257 3.886 1.00 0.00 O ATOM 521 CB VAL A 109 -9.349 -0.196 2.926 1.00 0.00 C ATOM 522 CG1 VAL A 109 -9.575 1.162 2.283 1.00 0.00 C ATOM 523 CG2 VAL A 109 -8.721 -0.044 4.303 1.00 0.00 C ATOM 0 H VAL A 109 -10.989 -0.313 1.051 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.447 -2.029 3.225 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.657 -0.759 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.630 1.702 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -9.970 1.027 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -10.288 1.733 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -7.789 0.515 4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.407 0.492 4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -8.516 -1.030 4.720 1.00 0.00 H new ATOM 533 N ASN A 110 -11.129 -0.677 5.377 1.00 0.00 N ATOM 534 CA ASN A 110 -11.858 -0.190 6.534 1.00 0.00 C ATOM 535 C ASN A 110 -10.938 -0.106 7.743 1.00 0.00 C ATOM 536 O ASN A 110 -10.184 -1.036 8.029 1.00 0.00 O ATOM 537 CB ASN A 110 -13.045 -1.102 6.843 1.00 0.00 C ATOM 538 CG ASN A 110 -13.816 -1.488 5.595 1.00 0.00 C ATOM 539 OD1 ASN A 110 -13.324 -2.243 4.756 1.00 0.00 O ATOM 540 ND2 ASN A 110 -15.032 -0.971 5.467 1.00 0.00 N ATOM 0 H ASN A 110 -10.302 -1.229 5.603 1.00 0.00 H new ATOM 0 HA ASN A 110 -12.234 0.808 6.307 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -12.687 -2.004 7.340 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.715 -0.599 7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -15.598 -1.195 4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -15.400 -0.349 6.187 1.00 0.00 H new ATOM 547 N VAL A 111 -11.010 1.022 8.439 1.00 0.00 N ATOM 548 CA VAL A 111 -10.192 1.267 9.627 1.00 0.00 C ATOM 549 C VAL A 111 -9.790 -0.037 10.308 1.00 0.00 C ATOM 550 O VAL A 111 -10.642 -0.846 10.673 1.00 0.00 O ATOM 551 CB VAL A 111 -10.931 2.153 10.647 1.00 0.00 C ATOM 552 CG1 VAL A 111 -9.941 2.819 11.592 1.00 0.00 C ATOM 553 CG2 VAL A 111 -11.782 3.193 9.936 1.00 0.00 C ATOM 0 H VAL A 111 -11.634 1.792 8.199 1.00 0.00 H new ATOM 0 HA VAL A 111 -9.296 1.784 9.284 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.593 1.519 11.238 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.481 3.441 12.306 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.380 2.054 12.129 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -9.252 3.439 11.019 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.296 3.809 10.674 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -11.144 3.824 9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -12.517 2.692 9.306 1.00 0.00 H new ATOM 563 N GLY A 112 -8.487 -0.234 10.467 1.00 0.00 N ATOM 564 CA GLY A 112 -7.993 -1.444 11.097 1.00 0.00 C ATOM 565 C GLY A 112 -7.834 -2.581 10.108 1.00 0.00 C ATOM 566 O GLY A 112 -7.815 -3.750 10.491 1.00 0.00 O ATOM 0 H GLY A 112 -7.764 0.422 10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.032 -1.239 11.570 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.680 -1.746 11.888 1.00 0.00 H new ATOM 570 N ASP A 113 -7.722 -2.236 8.829 1.00 0.00 N ATOM 571 CA ASP A 113 -7.565 -3.232 7.776 1.00 0.00 C ATOM 572 C ASP A 113 -6.251 -3.029 7.029 1.00 0.00 C ATOM 573 O ASP A 113 -6.133 -2.134 6.192 1.00 0.00 O ATOM 574 CB ASP A 113 -8.738 -3.159 6.796 1.00 0.00 C ATOM 575 CG ASP A 113 -8.928 -4.450 6.025 1.00 0.00 C ATOM 576 OD1 ASP A 113 -8.214 -5.430 6.322 1.00 0.00 O ATOM 577 OD2 ASP A 113 -9.792 -4.480 5.123 1.00 0.00 O ATOM 0 H ASP A 113 -7.737 -1.272 8.497 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.551 -4.218 8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.652 -2.928 7.344 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.572 -2.341 6.095 1.00 0.00 H new ATOM 582 N THR A 114 -5.267 -3.866 7.338 1.00 0.00 N ATOM 583 CA THR A 114 -3.960 -3.781 6.697 1.00 0.00 C ATOM 584 C THR A 114 -4.103 -3.508 5.203 1.00 0.00 C ATOM 585 O THR A 114 -4.887 -4.162 4.514 1.00 0.00 O ATOM 586 CB THR A 114 -3.176 -5.074 6.918 1.00 0.00 C ATOM 587 OG1 THR A 114 -3.455 -5.619 8.195 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.676 -4.889 6.814 1.00 0.00 C ATOM 0 H THR A 114 -5.350 -4.612 8.029 1.00 0.00 H new ATOM 0 HA THR A 114 -3.415 -2.952 7.149 1.00 0.00 H new ATOM 0 HB THR A 114 -3.499 -5.747 6.124 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.945 -6.447 8.316 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.179 -5.845 6.981 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.423 -4.517 5.821 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.345 -4.172 7.565 1.00 0.00 H new ATOM 596 N LEU A 115 -3.341 -2.539 4.711 1.00 0.00 N ATOM 597 CA LEU A 115 -3.380 -2.177 3.301 1.00 0.00 C ATOM 598 C LEU A 115 -2.260 -2.870 2.532 1.00 0.00 C ATOM 599 O LEU A 115 -2.455 -3.943 1.964 1.00 0.00 O ATOM 600 CB LEU A 115 -3.262 -0.661 3.138 1.00 0.00 C ATOM 601 CG LEU A 115 -4.526 0.128 3.484 1.00 0.00 C ATOM 602 CD1 LEU A 115 -4.250 1.623 3.441 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.656 -0.235 2.533 1.00 0.00 C ATOM 0 H LEU A 115 -2.688 -1.989 5.269 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.336 -2.506 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.446 -0.306 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.987 -0.442 2.106 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.831 -0.135 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.160 2.168 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.471 1.870 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.921 1.904 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.548 0.335 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.361 -0.000 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.871 -1.301 2.613 1.00 0.00 H new ATOM 615 N CYS A 116 -1.088 -2.248 2.520 1.00 0.00 N ATOM 616 CA CYS A 116 0.063 -2.806 1.819 1.00 0.00 C ATOM 617 C CYS A 116 1.303 -2.788 2.703 1.00 0.00 C ATOM 618 O CYS A 116 1.240 -2.418 3.876 1.00 0.00 O ATOM 619 CB CYS A 116 0.329 -2.024 0.532 1.00 0.00 C ATOM 620 SG CYS A 116 -0.196 -0.295 0.595 1.00 0.00 S ATOM 0 H CYS A 116 -0.909 -1.359 2.986 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.165 -3.842 1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 116 1.396 -2.060 0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.184 -2.518 -0.293 1.00 0.00 H new ATOM 0 HG CYS A 116 0.572 0.420 -0.172 1.00 0.00 H new ATOM 626 N ILE A 117 2.433 -3.191 2.131 1.00 0.00 N ATOM 627 CA ILE A 117 3.693 -3.222 2.863 1.00 0.00 C ATOM 628 C ILE A 117 4.587 -2.057 2.458 1.00 0.00 C ATOM 629 O ILE A 117 4.857 -1.851 1.273 1.00 0.00 O ATOM 630 CB ILE A 117 4.459 -4.541 2.622 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.537 -5.597 2.007 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.061 -5.051 3.921 1.00 0.00 C ATOM 633 CD1 ILE A 117 4.139 -6.986 1.989 1.00 0.00 C ATOM 0 H ILE A 117 2.501 -3.501 1.162 1.00 0.00 H new ATOM 0 HA ILE A 117 3.443 -3.144 3.921 1.00 0.00 H new ATOM 0 HB ILE A 117 5.269 -4.344 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.602 -5.622 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.290 -5.303 0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.597 -5.981 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.752 -4.308 4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.266 -5.230 4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.432 -7.683 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.059 -6.976 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.360 -7.300 3.009 1.00 0.00 H new ATOM 645 N VAL A 118 5.049 -1.300 3.447 1.00 0.00 N ATOM 646 CA VAL A 118 5.918 -0.158 3.191 1.00 0.00 C ATOM 647 C VAL A 118 7.346 -0.448 3.641 1.00 0.00 C ATOM 648 O VAL A 118 7.889 0.240 4.503 1.00 0.00 O ATOM 649 CB VAL A 118 5.412 1.108 3.907 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.329 2.286 3.618 1.00 0.00 C ATOM 651 CG2 VAL A 118 3.982 1.420 3.491 1.00 0.00 C ATOM 0 H VAL A 118 4.836 -1.456 4.432 1.00 0.00 H new ATOM 0 HA VAL A 118 5.905 0.016 2.115 1.00 0.00 H new ATOM 0 HB VAL A 118 5.421 0.926 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.956 3.172 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.335 2.059 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 118 6.354 2.473 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.641 2.318 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 118 3.944 1.583 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.336 0.583 3.754 1.00 0.00 H new ATOM 661 N GLU A 119 7.945 -1.478 3.050 1.00 0.00 N ATOM 662 CA GLU A 119 9.310 -1.870 3.385 1.00 0.00 C ATOM 663 C GLU A 119 10.219 -0.652 3.514 1.00 0.00 C ATOM 664 O GLU A 119 10.852 -0.231 2.546 1.00 0.00 O ATOM 665 CB GLU A 119 9.861 -2.824 2.322 1.00 0.00 C ATOM 666 CG GLU A 119 10.183 -4.209 2.858 1.00 0.00 C ATOM 667 CD GLU A 119 11.290 -4.892 2.079 1.00 0.00 C ATOM 668 OE1 GLU A 119 12.309 -4.231 1.792 1.00 0.00 O ATOM 669 OE2 GLU A 119 11.136 -6.088 1.753 1.00 0.00 O ATOM 0 H GLU A 119 7.505 -2.057 2.335 1.00 0.00 H new ATOM 0 HA GLU A 119 9.287 -2.380 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.134 -2.915 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.763 -2.392 1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.476 -4.131 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.285 -4.826 2.823 1.00 0.00 H new ATOM 676 N ALA A 120 10.280 -0.094 4.718 1.00 0.00 N ATOM 677 CA ALA A 120 11.115 1.072 4.979 1.00 0.00 C ATOM 678 C ALA A 120 12.490 0.649 5.479 1.00 0.00 C ATOM 679 O ALA A 120 12.625 0.156 6.598 1.00 0.00 O ATOM 680 CB ALA A 120 10.442 1.989 5.989 1.00 0.00 C ATOM 0 H ALA A 120 9.761 -0.431 5.529 1.00 0.00 H new ATOM 0 HA ALA A 120 11.244 1.618 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.077 2.855 6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.481 2.321 5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.284 1.449 6.923 1.00 0.00 H new ATOM 686 N MET A 121 13.504 0.838 4.638 1.00 0.00 N ATOM 687 CA MET A 121 14.876 0.473 4.981 1.00 0.00 C ATOM 688 C MET A 121 15.176 -0.964 4.558 1.00 0.00 C ATOM 689 O MET A 121 16.317 -1.296 4.237 1.00 0.00 O ATOM 690 CB MET A 121 15.125 0.656 6.486 1.00 0.00 C ATOM 691 CG MET A 121 14.954 -0.615 7.309 1.00 0.00 C ATOM 692 SD MET A 121 14.331 -0.288 8.968 1.00 0.00 S ATOM 693 CE MET A 121 15.350 1.105 9.447 1.00 0.00 C ATOM 0 H MET A 121 13.400 1.244 3.708 1.00 0.00 H new ATOM 0 HA MET A 121 15.550 1.136 4.438 1.00 0.00 H new ATOM 0 HB2 MET A 121 16.136 1.036 6.632 1.00 0.00 H new ATOM 0 HB3 MET A 121 14.442 1.415 6.866 1.00 0.00 H new ATOM 0 HG2 MET A 121 14.268 -1.288 6.794 1.00 0.00 H new ATOM 0 HG3 MET A 121 15.912 -1.129 7.380 1.00 0.00 H new ATOM 0 HE1 MET A 121 15.407 1.157 10.534 1.00 0.00 H new ATOM 0 HE2 MET A 121 16.352 0.981 9.037 1.00 0.00 H new ATOM 0 HE3 MET A 121 14.912 2.026 9.062 1.00 0.00 H new ATOM 703 N LYS A 122 14.138 -1.801 4.553 1.00 0.00 N ATOM 704 CA LYS A 122 14.261 -3.209 4.164 1.00 0.00 C ATOM 705 C LYS A 122 13.237 -4.068 4.900 1.00 0.00 C ATOM 706 O LYS A 122 12.980 -5.208 4.516 1.00 0.00 O ATOM 707 CB LYS A 122 15.668 -3.743 4.451 1.00 0.00 C ATOM 708 CG LYS A 122 16.155 -3.449 5.859 1.00 0.00 C ATOM 709 CD LYS A 122 15.805 -4.579 6.814 1.00 0.00 C ATOM 710 CE LYS A 122 16.700 -5.789 6.598 1.00 0.00 C ATOM 711 NZ LYS A 122 16.099 -6.759 5.686 1.00 0.00 N ATOM 0 H LYS A 122 13.192 -1.525 4.817 1.00 0.00 H new ATOM 0 HA LYS A 122 14.074 -3.265 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 122 15.678 -4.821 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.366 -3.307 3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 122 17.235 -3.301 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 122 15.709 -2.520 6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.904 -4.231 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.763 -4.866 6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 122 17.660 -5.463 6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 122 16.899 -6.268 7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 16.089 -7.697 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 15.125 -6.470 5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 16.655 -6.801 4.808 1.00 0.00 H new ATOM 722 N MET A 123 12.660 -3.516 5.963 1.00 0.00 N ATOM 723 CA MET A 123 11.672 -4.234 6.755 1.00 0.00 C ATOM 724 C MET A 123 10.259 -3.785 6.405 1.00 0.00 C ATOM 725 O MET A 123 9.986 -2.591 6.292 1.00 0.00 O ATOM 726 CB MET A 123 11.932 -4.022 8.245 1.00 0.00 C ATOM 727 CG MET A 123 13.109 -4.822 8.777 1.00 0.00 C ATOM 728 SD MET A 123 12.644 -5.935 10.117 1.00 0.00 S ATOM 729 CE MET A 123 11.961 -4.775 11.298 1.00 0.00 C ATOM 0 H MET A 123 12.861 -2.573 6.295 1.00 0.00 H new ATOM 0 HA MET A 123 11.762 -5.295 6.524 1.00 0.00 H new ATOM 0 HB2 MET A 123 12.112 -2.962 8.427 1.00 0.00 H new ATOM 0 HB3 MET A 123 11.036 -4.294 8.804 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.546 -5.401 7.964 1.00 0.00 H new ATOM 0 HG3 MET A 123 13.879 -4.136 9.130 1.00 0.00 H new ATOM 0 HE1 MET A 123 12.103 -5.158 12.308 1.00 0.00 H new ATOM 0 HE2 MET A 123 12.468 -3.815 11.200 1.00 0.00 H new ATOM 0 HE3 MET A 123 10.896 -4.645 11.106 1.00 0.00 H new ATOM 739 N MET A 124 9.366 -4.753 6.234 1.00 0.00 N ATOM 740 CA MET A 124 7.977 -4.465 5.895 1.00 0.00 C ATOM 741 C MET A 124 7.349 -3.516 6.910 1.00 0.00 C ATOM 742 O MET A 124 7.656 -3.571 8.100 1.00 0.00 O ATOM 743 CB MET A 124 7.170 -5.763 5.828 1.00 0.00 C ATOM 744 CG MET A 124 7.565 -6.779 6.886 1.00 0.00 C ATOM 745 SD MET A 124 8.294 -8.269 6.179 1.00 0.00 S ATOM 746 CE MET A 124 6.822 -9.165 5.690 1.00 0.00 C ATOM 0 H MET A 124 9.580 -5.746 6.325 1.00 0.00 H new ATOM 0 HA MET A 124 7.962 -3.981 4.919 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.111 -5.529 5.938 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.297 -6.210 4.842 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.276 -6.323 7.575 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.685 -7.051 7.470 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.108 -10.113 5.234 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.204 -9.356 6.567 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.257 -8.572 4.970 1.00 0.00 H new ATOM 756 N ASN A 125 6.464 -2.651 6.428 1.00 0.00 N ATOM 757 CA ASN A 125 5.785 -1.690 7.289 1.00 0.00 C ATOM 758 C ASN A 125 4.292 -1.653 6.978 1.00 0.00 C ATOM 759 O ASN A 125 3.771 -0.648 6.495 1.00 0.00 O ATOM 760 CB ASN A 125 6.391 -0.295 7.114 1.00 0.00 C ATOM 761 CG ASN A 125 6.948 0.261 8.409 1.00 0.00 C ATOM 762 OD1 ASN A 125 7.582 -0.456 9.184 1.00 0.00 O ATOM 763 ND2 ASN A 125 6.715 1.545 8.652 1.00 0.00 N ATOM 0 H ASN A 125 6.200 -2.596 5.444 1.00 0.00 H new ATOM 0 HA ASN A 125 5.918 -2.005 8.324 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.186 -0.338 6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.629 0.383 6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.066 1.974 9.508 1.00 0.00 H new ATOM 0 HD22 ASN A 125 6.185 2.103 7.982 1.00 0.00 H new ATOM 770 N GLN A 126 3.612 -2.760 7.253 1.00 0.00 N ATOM 771 CA GLN A 126 2.179 -2.862 7.000 1.00 0.00 C ATOM 772 C GLN A 126 1.469 -1.556 7.338 1.00 0.00 C ATOM 773 O GLN A 126 1.846 -0.856 8.280 1.00 0.00 O ATOM 774 CB GLN A 126 1.579 -4.010 7.814 1.00 0.00 C ATOM 775 CG GLN A 126 1.699 -3.818 9.317 1.00 0.00 C ATOM 776 CD GLN A 126 2.826 -4.632 9.921 1.00 0.00 C ATOM 777 OE1 GLN A 126 4.000 -4.300 9.765 1.00 0.00 O ATOM 778 NE2 GLN A 126 2.473 -5.708 10.616 1.00 0.00 N ATOM 0 H GLN A 126 4.030 -3.601 7.652 1.00 0.00 H new ATOM 0 HA GLN A 126 2.037 -3.064 5.938 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.526 -4.118 7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 126 2.074 -4.940 7.534 1.00 0.00 H new ATOM 0 HG2 GLN A 126 1.862 -2.762 9.533 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.759 -4.098 9.792 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.487 -5.947 10.720 1.00 0.00 H new ATOM 0 HE22 GLN A 126 3.188 -6.295 11.045 1.00 0.00 H new ATOM 787 N ILE A 127 0.439 -1.232 6.563 1.00 0.00 N ATOM 788 CA ILE A 127 -0.328 -0.010 6.777 1.00 0.00 C ATOM 789 C ILE A 127 -1.776 -0.329 7.128 1.00 0.00 C ATOM 790 O ILE A 127 -2.429 -1.120 6.448 1.00 0.00 O ATOM 791 CB ILE A 127 -0.301 0.895 5.532 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.141 1.246 5.160 1.00 0.00 C ATOM 793 CG2 ILE A 127 -1.113 2.158 5.776 1.00 0.00 C ATOM 794 CD1 ILE A 127 1.961 1.751 6.326 1.00 0.00 C ATOM 0 H ILE A 127 0.116 -1.800 5.780 1.00 0.00 H new ATOM 0 HA ILE A 127 0.139 0.517 7.609 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.750 0.354 4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 127 1.625 0.363 4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.131 2.005 4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -1.084 2.787 4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -2.146 1.889 5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.692 2.704 6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 127 2.972 1.980 5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.501 2.652 6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.002 0.985 7.101 1.00 0.00 H new ATOM 806 N GLU A 128 -2.275 0.287 8.194 1.00 0.00 N ATOM 807 CA GLU A 128 -3.647 0.065 8.632 1.00 0.00 C ATOM 808 C GLU A 128 -4.532 1.260 8.291 1.00 0.00 C ATOM 809 O GLU A 128 -4.204 2.400 8.620 1.00 0.00 O ATOM 810 CB GLU A 128 -3.688 -0.199 10.139 1.00 0.00 C ATOM 811 CG GLU A 128 -4.109 -1.614 10.497 1.00 0.00 C ATOM 812 CD GLU A 128 -2.927 -2.518 10.787 1.00 0.00 C ATOM 813 OE1 GLU A 128 -1.776 -2.051 10.653 1.00 0.00 O ATOM 814 OE2 GLU A 128 -3.151 -3.693 11.147 1.00 0.00 O ATOM 0 H GLU A 128 -1.749 0.944 8.771 1.00 0.00 H new ATOM 0 HA GLU A 128 -4.030 -0.809 8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -2.702 -0.005 10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -4.378 0.505 10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -4.762 -1.585 11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -4.691 -2.035 9.677 1.00 0.00 H new ATOM 821 N ALA A 129 -5.653 0.991 7.630 1.00 0.00 N ATOM 822 CA ALA A 129 -6.584 2.045 7.246 1.00 0.00 C ATOM 823 C ALA A 129 -6.805 3.022 8.396 1.00 0.00 C ATOM 824 O ALA A 129 -6.773 2.637 9.564 1.00 0.00 O ATOM 825 CB ALA A 129 -7.907 1.443 6.799 1.00 0.00 C ATOM 0 H ALA A 129 -5.938 0.053 7.349 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.150 2.596 6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.593 2.241 6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.738 0.788 5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.340 0.867 7.617 1.00 0.00 H new ATOM 831 N ASP A 130 -7.027 4.288 8.056 1.00 0.00 N ATOM 832 CA ASP A 130 -7.250 5.320 9.063 1.00 0.00 C ATOM 833 C ASP A 130 -8.671 5.870 8.981 1.00 0.00 C ATOM 834 O ASP A 130 -9.143 6.532 9.906 1.00 0.00 O ATOM 835 CB ASP A 130 -6.241 6.457 8.888 1.00 0.00 C ATOM 836 CG ASP A 130 -6.272 7.440 10.042 1.00 0.00 C ATOM 837 OD1 ASP A 130 -5.827 7.070 11.148 1.00 0.00 O ATOM 838 OD2 ASP A 130 -6.742 8.580 9.839 1.00 0.00 O ATOM 0 H ASP A 130 -7.057 4.623 7.093 1.00 0.00 H new ATOM 0 HA ASP A 130 -7.114 4.867 10.045 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -5.239 6.039 8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -6.451 6.986 7.958 1.00 0.00 H new ATOM 843 N LYS A 131 -9.349 5.594 7.873 1.00 0.00 N ATOM 844 CA LYS A 131 -10.715 6.065 7.678 1.00 0.00 C ATOM 845 C LYS A 131 -11.405 5.297 6.557 1.00 0.00 C ATOM 846 O LYS A 131 -12.185 5.866 5.792 1.00 0.00 O ATOM 847 CB LYS A 131 -10.719 7.560 7.361 1.00 0.00 C ATOM 848 CG LYS A 131 -10.224 7.886 5.960 1.00 0.00 C ATOM 849 CD LYS A 131 -8.706 7.915 5.899 1.00 0.00 C ATOM 850 CE LYS A 131 -8.119 8.772 7.008 1.00 0.00 C ATOM 851 NZ LYS A 131 -6.722 9.190 6.707 1.00 0.00 N ATOM 0 H LYS A 131 -8.976 5.047 7.097 1.00 0.00 H new ATOM 0 HA LYS A 131 -11.265 5.892 8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -11.732 7.945 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.094 8.079 8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -10.603 7.144 5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -10.620 8.852 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -8.318 6.899 5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -8.387 8.302 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -8.740 9.657 7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -8.137 8.216 7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -6.135 9.076 7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -6.340 8.599 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -6.714 10.187 6.411 1.00 0.00 H new ATOM 865 N SER A 132 -11.115 4.006 6.464 1.00 0.00 N ATOM 866 CA SER A 132 -11.711 3.165 5.434 1.00 0.00 C ATOM 867 C SER A 132 -11.438 3.740 4.048 1.00 0.00 C ATOM 868 O SER A 132 -10.714 4.725 3.907 1.00 0.00 O ATOM 869 CB SER A 132 -13.218 3.040 5.661 1.00 0.00 C ATOM 870 OG SER A 132 -13.718 1.827 5.124 1.00 0.00 O ATOM 0 H SER A 132 -10.472 3.519 7.088 1.00 0.00 H new ATOM 0 HA SER A 132 -11.260 2.175 5.495 1.00 0.00 H new ATOM 0 HB2 SER A 132 -13.433 3.084 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 132 -13.729 3.884 5.198 1.00 0.00 H new ATOM 0 HG SER A 132 -13.001 1.360 4.647 1.00 0.00 H new ATOM 876 N GLY A 133 -12.020 3.119 3.028 1.00 0.00 N ATOM 877 CA GLY A 133 -11.824 3.588 1.670 1.00 0.00 C ATOM 878 C GLY A 133 -11.894 2.468 0.651 1.00 0.00 C ATOM 879 O GLY A 133 -12.121 1.311 1.004 1.00 0.00 O ATOM 0 H GLY A 133 -12.623 2.301 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.581 4.336 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.855 4.081 1.596 1.00 0.00 H new ATOM 883 N THR A 134 -11.701 2.814 -0.616 1.00 0.00 N ATOM 884 CA THR A 134 -11.744 1.834 -1.695 1.00 0.00 C ATOM 885 C THR A 134 -10.601 2.050 -2.681 1.00 0.00 C ATOM 886 O THR A 134 -10.525 3.090 -3.334 1.00 0.00 O ATOM 887 CB THR A 134 -13.075 1.928 -2.432 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.160 1.864 -1.524 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.269 0.835 -3.461 1.00 0.00 C ATOM 0 H THR A 134 -11.513 3.769 -0.922 1.00 0.00 H new ATOM 0 HA THR A 134 -11.637 0.843 -1.253 1.00 0.00 H new ATOM 0 HB THR A 134 -13.051 2.888 -2.947 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.004 1.928 -2.018 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.236 0.961 -3.948 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.477 0.893 -4.207 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.234 -0.137 -2.970 1.00 0.00 H new ATOM 897 N VAL A 135 -9.722 1.061 -2.796 1.00 0.00 N ATOM 898 CA VAL A 135 -8.596 1.154 -3.717 1.00 0.00 C ATOM 899 C VAL A 135 -9.073 1.575 -5.101 1.00 0.00 C ATOM 900 O VAL A 135 -10.127 1.136 -5.563 1.00 0.00 O ATOM 901 CB VAL A 135 -7.844 -0.185 -3.830 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.733 -0.088 -4.864 1.00 0.00 C ATOM 903 CG2 VAL A 135 -7.289 -0.598 -2.475 1.00 0.00 C ATOM 0 H VAL A 135 -9.767 0.190 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.914 1.904 -3.317 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.546 -0.951 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.213 -1.044 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -7.161 0.160 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -6.028 0.689 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.760 -1.546 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.600 0.166 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -8.108 -0.710 -1.765 1.00 0.00 H new ATOM 913 N LYS A 136 -8.303 2.433 -5.759 1.00 0.00 N ATOM 914 CA LYS A 136 -8.667 2.912 -7.083 1.00 0.00 C ATOM 915 C LYS A 136 -7.551 2.661 -8.091 1.00 0.00 C ATOM 916 O LYS A 136 -7.788 2.659 -9.299 1.00 0.00 O ATOM 917 CB LYS A 136 -8.997 4.401 -7.024 1.00 0.00 C ATOM 918 CG LYS A 136 -10.186 4.716 -6.134 1.00 0.00 C ATOM 919 CD LYS A 136 -11.500 4.414 -6.837 1.00 0.00 C ATOM 920 CE LYS A 136 -11.771 5.405 -7.957 1.00 0.00 C ATOM 921 NZ LYS A 136 -13.013 5.068 -8.708 1.00 0.00 N ATOM 0 H LYS A 136 -7.426 2.809 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.546 2.359 -7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -8.125 4.945 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -9.201 4.762 -8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -10.120 4.132 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -10.159 5.767 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.473 3.403 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -12.316 4.446 -6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -11.859 6.408 -7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -10.924 5.418 -8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -13.163 5.767 -9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -12.919 4.121 -9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -13.825 5.080 -8.059 1.00 0.00 H new ATOM 935 N ALA A 137 -6.336 2.452 -7.596 1.00 0.00 N ATOM 936 CA ALA A 137 -5.201 2.204 -8.474 1.00 0.00 C ATOM 937 C ALA A 137 -3.880 2.273 -7.716 1.00 0.00 C ATOM 938 O ALA A 137 -3.801 2.858 -6.637 1.00 0.00 O ATOM 939 CB ALA A 137 -5.208 3.208 -9.613 1.00 0.00 C ATOM 0 H ALA A 137 -6.114 2.449 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.296 1.195 -8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.358 3.020 -10.269 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -6.133 3.108 -10.181 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.138 4.218 -9.208 1.00 0.00 H new ATOM 945 N ILE A 138 -2.843 1.673 -8.294 1.00 0.00 N ATOM 946 CA ILE A 138 -1.524 1.666 -7.681 1.00 0.00 C ATOM 947 C ILE A 138 -0.552 2.530 -8.477 1.00 0.00 C ATOM 948 O ILE A 138 0.200 2.026 -9.311 1.00 0.00 O ATOM 949 CB ILE A 138 -0.955 0.235 -7.570 1.00 0.00 C ATOM 950 CG1 ILE A 138 -2.025 -0.806 -7.911 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.410 -0.003 -6.174 1.00 0.00 C ATOM 952 CD1 ILE A 138 -3.205 -0.796 -6.963 1.00 0.00 C ATOM 0 H ILE A 138 -2.894 1.185 -9.188 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.638 2.075 -6.677 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.142 0.131 -8.288 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.383 -0.628 -8.925 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.571 -1.797 -7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.011 -1.015 -6.107 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.384 0.714 -5.966 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -1.211 0.121 -5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.922 -1.559 -7.266 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.860 -1.005 -5.950 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.684 0.183 -6.989 1.00 0.00 H new ATOM 964 N LEU A 139 -0.573 3.833 -8.215 1.00 0.00 N ATOM 965 CA LEU A 139 0.308 4.765 -8.911 1.00 0.00 C ATOM 966 C LEU A 139 1.717 4.198 -8.995 1.00 0.00 C ATOM 967 O LEU A 139 2.428 4.405 -9.979 1.00 0.00 O ATOM 968 CB LEU A 139 0.329 6.115 -8.195 1.00 0.00 C ATOM 969 CG LEU A 139 -1.046 6.725 -7.920 1.00 0.00 C ATOM 970 CD1 LEU A 139 -0.949 8.238 -7.825 1.00 0.00 C ATOM 971 CD2 LEU A 139 -2.033 6.318 -9.005 1.00 0.00 C ATOM 0 H LEU A 139 -1.189 4.267 -7.527 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.074 4.910 -9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.853 5.998 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.908 6.818 -8.794 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.408 6.345 -6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.937 8.654 -7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.274 8.509 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.567 8.638 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -3.007 6.760 -8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.676 6.670 -9.973 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.124 5.232 -9.025 1.00 0.00 H new ATOM 983 N VAL A 140 2.109 3.479 -7.954 1.00 0.00 N ATOM 984 CA VAL A 140 3.427 2.868 -7.893 1.00 0.00 C ATOM 985 C VAL A 140 3.365 1.416 -8.337 1.00 0.00 C ATOM 986 O VAL A 140 2.297 0.803 -8.333 1.00 0.00 O ATOM 987 CB VAL A 140 3.999 2.921 -6.465 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.240 2.049 -6.351 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.306 4.356 -6.065 1.00 0.00 C ATOM 0 H VAL A 140 1.528 3.304 -7.134 1.00 0.00 H new ATOM 0 HA VAL A 140 4.076 3.433 -8.562 1.00 0.00 H new ATOM 0 HB VAL A 140 3.247 2.530 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.629 2.100 -5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 140 4.983 1.017 -6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.999 2.404 -7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.709 4.373 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.038 4.777 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.391 4.947 -6.101 1.00 0.00 H new ATOM 999 N GLU A 141 4.513 0.859 -8.704 1.00 0.00 N ATOM 1000 CA GLU A 141 4.571 -0.530 -9.125 1.00 0.00 C ATOM 1001 C GLU A 141 4.062 -1.421 -8.001 1.00 0.00 C ATOM 1002 O GLU A 141 3.217 -1.006 -7.208 1.00 0.00 O ATOM 1003 CB GLU A 141 6.002 -0.917 -9.502 1.00 0.00 C ATOM 1004 CG GLU A 141 6.687 0.092 -10.408 1.00 0.00 C ATOM 1005 CD GLU A 141 6.774 -0.380 -11.847 1.00 0.00 C ATOM 1006 OE1 GLU A 141 6.747 -1.608 -12.071 1.00 0.00 O ATOM 1007 OE2 GLU A 141 6.869 0.479 -12.748 1.00 0.00 O ATOM 0 H GLU A 141 5.409 1.346 -8.718 1.00 0.00 H new ATOM 0 HA GLU A 141 3.940 -0.662 -10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.590 -1.033 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 141 5.988 -1.887 -9.998 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.143 1.036 -10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 141 7.691 0.289 -10.033 1.00 0.00 H new ATOM 1014 N SER A 142 4.580 -2.636 -7.918 1.00 0.00 N ATOM 1015 CA SER A 142 4.165 -3.552 -6.870 1.00 0.00 C ATOM 1016 C SER A 142 5.223 -3.636 -5.779 1.00 0.00 C ATOM 1017 O SER A 142 4.977 -3.264 -4.635 1.00 0.00 O ATOM 1018 CB SER A 142 3.905 -4.941 -7.436 1.00 0.00 C ATOM 1019 OG SER A 142 4.356 -5.042 -8.776 1.00 0.00 O ATOM 0 H SER A 142 5.282 -3.008 -8.558 1.00 0.00 H new ATOM 0 HA SER A 142 3.240 -3.167 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.410 -5.687 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.838 -5.161 -7.391 1.00 0.00 H new ATOM 0 HG SER A 142 4.178 -5.945 -9.114 1.00 0.00 H new ATOM 1025 N GLY A 143 6.402 -4.129 -6.144 1.00 0.00 N ATOM 1026 CA GLY A 143 7.481 -4.254 -5.186 1.00 0.00 C ATOM 1027 C GLY A 143 8.742 -3.554 -5.636 1.00 0.00 C ATOM 1028 O GLY A 143 9.527 -4.103 -6.408 1.00 0.00 O ATOM 0 H GLY A 143 6.628 -4.444 -7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.162 -3.840 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.695 -5.310 -5.021 1.00 0.00 H new ATOM 1032 N GLN A 144 8.939 -2.335 -5.146 1.00 0.00 N ATOM 1033 CA GLN A 144 10.119 -1.558 -5.501 1.00 0.00 C ATOM 1034 C GLN A 144 10.283 -0.358 -4.573 1.00 0.00 C ATOM 1035 O GLN A 144 9.318 0.116 -3.975 1.00 0.00 O ATOM 1036 CB GLN A 144 10.034 -1.084 -6.954 1.00 0.00 C ATOM 1037 CG GLN A 144 8.693 -1.362 -7.615 1.00 0.00 C ATOM 1038 CD GLN A 144 8.677 -2.676 -8.370 1.00 0.00 C ATOM 1039 OE1 GLN A 144 7.799 -3.514 -8.162 1.00 0.00 O ATOM 1040 NE2 GLN A 144 9.651 -2.863 -9.254 1.00 0.00 N ATOM 0 H GLN A 144 8.299 -1.866 -4.505 1.00 0.00 H new ATOM 0 HA GLN A 144 10.990 -2.204 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 144 10.230 -0.012 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 144 10.820 -1.570 -7.531 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.913 -1.375 -6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 144 8.455 -0.550 -8.302 1.00 0.00 H new ATOM 0 HE21 GLN A 144 10.358 -2.141 -9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 144 9.692 -3.728 -9.793 1.00 0.00 H new ATOM 1049 N PRO A 145 11.519 0.147 -4.447 1.00 0.00 N ATOM 1050 CA PRO A 145 11.824 1.297 -3.591 1.00 0.00 C ATOM 1051 C PRO A 145 11.050 2.545 -4.002 1.00 0.00 C ATOM 1052 O PRO A 145 10.568 2.646 -5.130 1.00 0.00 O ATOM 1053 CB PRO A 145 13.328 1.514 -3.794 1.00 0.00 C ATOM 1054 CG PRO A 145 13.839 0.220 -4.327 1.00 0.00 C ATOM 1055 CD PRO A 145 12.715 -0.367 -5.130 1.00 0.00 C ATOM 0 HA PRO A 145 11.545 1.113 -2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.518 2.330 -4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.819 1.775 -2.856 1.00 0.00 H new ATOM 0 HG2 PRO A 145 14.722 0.374 -4.947 1.00 0.00 H new ATOM 0 HG3 PRO A 145 14.131 -0.448 -3.517 1.00 0.00 H new ATOM 0 HD2 PRO A 145 12.753 -0.048 -6.172 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.744 -1.457 -5.129 1.00 0.00 H new ATOM 1063 N VAL A 146 10.937 3.494 -3.078 1.00 0.00 N ATOM 1064 CA VAL A 146 10.225 4.738 -3.341 1.00 0.00 C ATOM 1065 C VAL A 146 10.767 5.872 -2.479 1.00 0.00 C ATOM 1066 O VAL A 146 11.642 5.661 -1.638 1.00 0.00 O ATOM 1067 CB VAL A 146 8.715 4.588 -3.082 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.979 4.263 -4.374 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.456 3.519 -2.030 1.00 0.00 C ATOM 0 H VAL A 146 11.330 3.424 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 146 10.382 4.976 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 146 8.336 5.537 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.913 4.161 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.135 5.067 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.361 3.328 -4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.383 3.428 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.851 2.564 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.948 3.799 -1.098 1.00 0.00 H new ATOM 1079 N GLU A 147 10.244 7.075 -2.691 1.00 0.00 N ATOM 1080 CA GLU A 147 10.679 8.241 -1.930 1.00 0.00 C ATOM 1081 C GLU A 147 9.490 8.953 -1.294 1.00 0.00 C ATOM 1082 O GLU A 147 8.403 9.005 -1.869 1.00 0.00 O ATOM 1083 CB GLU A 147 11.442 9.211 -2.836 1.00 0.00 C ATOM 1084 CG GLU A 147 12.739 9.719 -2.227 1.00 0.00 C ATOM 1085 CD GLU A 147 13.574 10.511 -3.215 1.00 0.00 C ATOM 1086 OE1 GLU A 147 13.071 11.529 -3.734 1.00 0.00 O ATOM 1087 OE2 GLU A 147 14.730 10.114 -3.467 1.00 0.00 O ATOM 0 H GLU A 147 9.519 7.268 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 147 11.341 7.897 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.664 8.715 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 147 10.800 10.062 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 147 12.511 10.346 -1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 147 13.321 8.873 -1.861 1.00 0.00 H new ATOM 1094 N PHE A 148 9.707 9.500 -0.102 1.00 0.00 N ATOM 1095 CA PHE A 148 8.657 10.212 0.619 1.00 0.00 C ATOM 1096 C PHE A 148 7.745 10.963 -0.348 1.00 0.00 C ATOM 1097 O PHE A 148 8.211 11.557 -1.321 1.00 0.00 O ATOM 1098 CB PHE A 148 9.272 11.188 1.622 1.00 0.00 C ATOM 1099 CG PHE A 148 8.252 11.939 2.431 1.00 0.00 C ATOM 1100 CD1 PHE A 148 7.155 11.280 2.975 1.00 0.00 C ATOM 1101 CD2 PHE A 148 8.390 13.305 2.650 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.213 11.970 3.723 1.00 0.00 C ATOM 1103 CE2 PHE A 148 7.451 14.000 3.396 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.362 13.332 3.933 1.00 0.00 C ATOM 0 H PHE A 148 10.602 9.464 0.386 1.00 0.00 H new ATOM 0 HA PHE A 148 8.058 9.478 1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.926 10.638 2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 148 9.896 11.903 1.086 1.00 0.00 H new ATOM 0 HD1 PHE A 148 7.035 10.219 2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 148 9.238 13.830 2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.365 11.447 4.141 1.00 0.00 H new ATOM 0 HE2 PHE A 148 7.568 15.061 3.559 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.630 13.872 4.515 1.00 0.00 H new ATOM 1114 N ASP A 149 6.445 10.931 -0.074 1.00 0.00 N ATOM 1115 CA ASP A 149 5.468 11.609 -0.919 1.00 0.00 C ATOM 1116 C ASP A 149 5.361 10.926 -2.277 1.00 0.00 C ATOM 1117 O ASP A 149 5.018 11.560 -3.276 1.00 0.00 O ATOM 1118 CB ASP A 149 5.850 13.078 -1.099 1.00 0.00 C ATOM 1119 CG ASP A 149 5.853 13.839 0.213 1.00 0.00 C ATOM 1120 OD1 ASP A 149 6.196 13.231 1.250 1.00 0.00 O ATOM 1121 OD2 ASP A 149 5.515 15.040 0.204 1.00 0.00 O ATOM 0 H ASP A 149 6.043 10.443 0.727 1.00 0.00 H new ATOM 0 HA ASP A 149 4.497 11.554 -0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.838 13.141 -1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 149 5.151 13.551 -1.789 1.00 0.00 H new ATOM 1126 N GLU A 150 5.653 9.631 -2.308 1.00 0.00 N ATOM 1127 CA GLU A 150 5.586 8.864 -3.544 1.00 0.00 C ATOM 1128 C GLU A 150 4.355 7.965 -3.560 1.00 0.00 C ATOM 1129 O GLU A 150 4.457 6.750 -3.390 1.00 0.00 O ATOM 1130 CB GLU A 150 6.849 8.020 -3.718 1.00 0.00 C ATOM 1131 CG GLU A 150 6.807 7.104 -4.931 1.00 0.00 C ATOM 1132 CD GLU A 150 6.591 7.862 -6.226 1.00 0.00 C ATOM 1133 OE1 GLU A 150 5.459 8.336 -6.455 1.00 0.00 O ATOM 1134 OE2 GLU A 150 7.554 7.980 -7.013 1.00 0.00 O ATOM 0 H GLU A 150 5.938 9.091 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 150 5.512 9.568 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.710 8.683 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.999 7.417 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 150 7.741 6.546 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 150 6.007 6.375 -4.803 1.00 0.00 H new ATOM 1141 N PRO A 151 3.168 8.556 -3.771 1.00 0.00 N ATOM 1142 CA PRO A 151 1.912 7.817 -3.818 1.00 0.00 C ATOM 1143 C PRO A 151 2.078 6.445 -4.461 1.00 0.00 C ATOM 1144 O PRO A 151 2.687 6.316 -5.523 1.00 0.00 O ATOM 1145 CB PRO A 151 1.034 8.720 -4.675 1.00 0.00 C ATOM 1146 CG PRO A 151 1.498 10.104 -4.355 1.00 0.00 C ATOM 1147 CD PRO A 151 2.961 9.999 -3.989 1.00 0.00 C ATOM 0 HA PRO A 151 1.503 7.610 -2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.151 8.497 -5.736 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.022 8.590 -4.437 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.360 10.766 -5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 151 0.922 10.524 -3.530 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.601 10.379 -4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.191 10.576 -3.093 1.00 0.00 H new ATOM 1155 N LEU A 152 1.542 5.419 -3.806 1.00 0.00 N ATOM 1156 CA LEU A 152 1.645 4.055 -4.310 1.00 0.00 C ATOM 1157 C LEU A 152 0.268 3.420 -4.480 1.00 0.00 C ATOM 1158 O LEU A 152 -0.103 3.002 -5.576 1.00 0.00 O ATOM 1159 CB LEU A 152 2.492 3.203 -3.361 1.00 0.00 C ATOM 1160 CG LEU A 152 3.532 3.972 -2.542 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.450 3.582 -1.075 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.929 3.721 -3.086 1.00 0.00 C ATOM 0 H LEU A 152 1.033 5.507 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 152 2.125 4.097 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.825 2.683 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.006 2.440 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 152 3.318 5.037 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.197 4.138 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.456 3.814 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.638 2.513 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.656 4.275 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.154 2.656 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.980 4.052 -4.123 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.479 3.345 -3.385 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.808 2.755 -3.404 1.00 0.00 C ATOM 1176 C VAL A 153 -2.883 3.822 -3.244 1.00 0.00 C ATOM 1177 O VAL A 153 -3.017 4.433 -2.184 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.962 1.702 -2.289 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.368 2.214 -0.988 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.425 1.323 -2.104 1.00 0.00 C ATOM 0 H VAL A 153 -0.184 3.687 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.932 2.269 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.416 0.806 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.486 1.458 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.308 2.426 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.883 3.126 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.511 0.579 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -3.999 2.209 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.814 0.910 -3.034 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.642 4.035 -4.312 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.714 5.026 -4.313 1.00 0.00 C ATOM 1192 C VAL A 154 -6.025 4.422 -3.820 1.00 0.00 C ATOM 1193 O VAL A 154 -6.388 3.308 -4.200 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.937 5.612 -5.719 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.653 6.951 -5.633 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.615 5.753 -6.457 1.00 0.00 C ATOM 0 H VAL A 154 -3.535 3.533 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.404 5.823 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.568 4.924 -6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.802 7.349 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.620 6.816 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.051 7.649 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.794 6.169 -7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -2.956 6.418 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -3.146 4.774 -6.554 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.732 5.168 -2.975 1.00 0.00 N ATOM 1207 CA ILE A 155 -8.005 4.715 -2.426 1.00 0.00 C ATOM 1208 C ILE A 155 -9.054 5.823 -2.489 1.00 0.00 C ATOM 1209 O ILE A 155 -8.756 6.983 -2.211 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.847 4.258 -0.963 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -6.906 3.055 -0.879 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.200 3.921 -0.357 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.975 2.322 0.443 1.00 0.00 C ATOM 0 H ILE A 155 -6.443 6.092 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.334 3.871 -3.033 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.412 5.078 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.146 2.360 -1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -5.883 3.393 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.066 3.601 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -9.840 4.803 -0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.665 3.118 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -6.281 1.481 0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -6.705 3.002 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.988 1.953 0.602 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.281 5.461 -2.857 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.362 6.437 -2.952 1.00 0.00 C ATOM 1227 C GLU A 156 -11.759 6.947 -1.568 1.00 0.00 C ATOM 1228 O GLU A 156 -12.628 7.841 -1.496 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.576 5.824 -3.658 1.00 0.00 C ATOM 1230 CG GLU A 156 -13.567 5.157 -2.717 1.00 0.00 C ATOM 1231 CD GLU A 156 -14.541 6.143 -2.102 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -14.635 7.280 -2.609 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -15.209 5.778 -1.111 1.00 0.00 O ATOM 1234 OXT GLU A 156 -11.199 6.446 -0.571 1.00 0.00 O ATOM 0 H GLU A 156 -10.550 4.506 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 156 -11.004 7.282 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -13.091 6.605 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -12.228 5.089 -4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -14.123 4.394 -3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -13.022 4.647 -1.923 1.00 0.00 H new