USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 570 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 123 MET CE :methyl 147:sc= -7.12! (180deg=-12.7!) USER MOD Set 1.2: A 125 ASN : amide:sc= -2.66! C(o=-9.8!,f=-16!) USER MOD Single : A 81 HIS : no HE2:sc= -15! C(o=-15!,f=-20!) USER MOD Single : A 85 SER OG : rot -79:sc= -0.819 USER MOD Single : A 87 MET CE :methyl -172:sc= 0 (180deg=-0.0802) USER MOD Single : A 90 THR OG1 : rot -31:sc= 0.358 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : 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= -1.64 K(o=-1.6,f=-4) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -4.68! C(o=-4.7!,f=-9.5!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 116 CYS SG : rot -179:sc= 0.768 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 151:sc= -8.22! (180deg=-10.4!) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= -1.36 USER MOD Single : A 134 THR OG1 : rot 5:sc= 0.468 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc=-0.00977 USER MOD Single : A 144 GLN : amide:sc= -3.91! C(o=-3.9!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 80 12.971 9.550 -3.299 1.00 0.00 N ATOM 47 CA GLY A 80 11.921 8.765 -2.673 1.00 0.00 C ATOM 48 C GLY A 80 10.908 8.241 -3.669 1.00 0.00 C ATOM 49 O GLY A 80 11.217 8.063 -4.847 1.00 0.00 O ATOM 0 HA2 GLY A 80 12.369 7.925 -2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.410 9.377 -1.930 1.00 0.00 H new ATOM 53 N HIS A 81 9.694 7.989 -3.193 1.00 0.00 N ATOM 54 CA HIS A 81 8.630 7.479 -4.046 1.00 0.00 C ATOM 55 C HIS A 81 7.347 7.278 -3.246 1.00 0.00 C ATOM 56 O HIS A 81 7.180 6.269 -2.563 1.00 0.00 O ATOM 57 CB HIS A 81 9.068 6.164 -4.697 1.00 0.00 C ATOM 58 CG HIS A 81 7.945 5.364 -5.282 1.00 0.00 C ATOM 59 ND1 HIS A 81 6.855 4.932 -4.554 1.00 0.00 N ATOM 60 CD2 HIS A 81 7.755 4.912 -6.540 1.00 0.00 C ATOM 61 CE1 HIS A 81 6.043 4.251 -5.344 1.00 0.00 C ATOM 62 NE2 HIS A 81 6.567 4.225 -6.554 1.00 0.00 N ATOM 0 H HIS A 81 9.423 8.130 -2.220 1.00 0.00 H new ATOM 0 HA HIS A 81 8.429 8.210 -4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 81 9.790 6.384 -5.483 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.582 5.557 -3.952 1.00 0.00 H new ATOM 0 HD1 HIS A 81 6.700 5.110 -3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.416 5.063 -7.380 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.110 3.794 -5.049 1.00 0.00 H new ATOM 71 N ILE A 82 6.442 8.248 -3.330 1.00 0.00 N ATOM 72 CA ILE A 82 5.179 8.171 -2.609 1.00 0.00 C ATOM 73 C ILE A 82 4.107 7.482 -3.445 1.00 0.00 C ATOM 74 O ILE A 82 3.990 7.725 -4.647 1.00 0.00 O ATOM 75 CB ILE A 82 4.676 9.568 -2.200 1.00 0.00 C ATOM 76 CG1 ILE A 82 5.730 10.282 -1.347 1.00 0.00 C ATOM 77 CG2 ILE A 82 3.356 9.456 -1.450 1.00 0.00 C ATOM 78 CD1 ILE A 82 5.153 11.326 -0.414 1.00 0.00 C ATOM 0 H ILE A 82 6.560 9.093 -3.888 1.00 0.00 H new ATOM 0 HA ILE A 82 5.367 7.584 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 82 4.507 10.159 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.271 9.541 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.456 10.758 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.013 10.451 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.612 8.984 -2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.497 8.852 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.958 11.789 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.636 12.089 -0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.449 10.853 0.270 1.00 0.00 H new ATOM 90 N VAL A 83 3.327 6.620 -2.802 1.00 0.00 N ATOM 91 CA VAL A 83 2.265 5.893 -3.486 1.00 0.00 C ATOM 92 C VAL A 83 0.891 6.403 -3.067 1.00 0.00 C ATOM 93 O VAL A 83 0.521 6.332 -1.894 1.00 0.00 O ATOM 94 CB VAL A 83 2.344 4.381 -3.202 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.597 3.597 -4.270 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.794 3.931 -3.114 1.00 0.00 C ATOM 0 H VAL A 83 3.411 6.408 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 83 2.405 6.063 -4.554 1.00 0.00 H new ATOM 0 HB VAL A 83 1.868 4.184 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.664 2.531 -4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.550 3.901 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.041 3.797 -5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.831 2.860 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.298 4.141 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.294 4.469 -2.308 1.00 0.00 H new ATOM 106 N ARG A 84 0.138 6.920 -4.033 1.00 0.00 N ATOM 107 CA ARG A 84 -1.195 7.443 -3.765 1.00 0.00 C ATOM 108 C ARG A 84 -2.268 6.483 -4.269 1.00 0.00 C ATOM 109 O ARG A 84 -2.297 6.134 -5.450 1.00 0.00 O ATOM 110 CB ARG A 84 -1.368 8.813 -4.424 1.00 0.00 C ATOM 111 CG ARG A 84 -0.682 9.940 -3.672 1.00 0.00 C ATOM 112 CD ARG A 84 -0.024 10.926 -4.624 1.00 0.00 C ATOM 113 NE ARG A 84 0.895 10.265 -5.547 1.00 0.00 N ATOM 114 CZ ARG A 84 1.717 10.919 -6.361 1.00 0.00 C ATOM 115 NH1 ARG A 84 1.733 12.245 -6.366 1.00 0.00 N ATOM 116 NH2 ARG A 84 2.524 10.247 -7.171 1.00 0.00 N ATOM 0 H ARG A 84 0.429 6.987 -5.008 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.308 7.549 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.973 8.771 -5.439 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.432 9.036 -4.505 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.411 10.462 -3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.069 9.526 -2.999 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.793 11.450 -5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.517 11.678 -4.050 1.00 0.00 H new ATOM 0 HE ARG A 84 0.906 9.245 -5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.114 12.765 -5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.365 12.745 -6.992 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.514 9.227 -7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.154 10.750 -7.795 1.00 0.00 H new ATOM 130 N SER A 85 -3.147 6.059 -3.367 1.00 0.00 N ATOM 131 CA SER A 85 -4.222 5.139 -3.720 1.00 0.00 C ATOM 132 C SER A 85 -4.904 5.569 -5.014 1.00 0.00 C ATOM 133 O SER A 85 -5.705 6.505 -5.026 1.00 0.00 O ATOM 134 CB SER A 85 -5.249 5.064 -2.589 1.00 0.00 C ATOM 135 OG SER A 85 -5.737 3.743 -2.429 1.00 0.00 O ATOM 0 H SER A 85 -3.136 6.338 -2.386 1.00 0.00 H new ATOM 0 HA SER A 85 -3.786 4.152 -3.872 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.794 5.402 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.079 5.738 -2.802 1.00 0.00 H new ATOM 0 HG SER A 85 -6.412 3.558 -3.115 1.00 0.00 H new ATOM 141 N PRO A 86 -4.591 4.887 -6.125 1.00 0.00 N ATOM 142 CA PRO A 86 -5.172 5.195 -7.436 1.00 0.00 C ATOM 143 C PRO A 86 -6.697 5.147 -7.421 1.00 0.00 C ATOM 144 O PRO A 86 -7.361 6.079 -7.875 1.00 0.00 O ATOM 145 CB PRO A 86 -4.612 4.096 -8.346 1.00 0.00 C ATOM 146 CG PRO A 86 -3.377 3.621 -7.659 1.00 0.00 C ATOM 147 CD PRO A 86 -3.646 3.761 -6.188 1.00 0.00 C ATOM 0 HA PRO A 86 -4.921 6.204 -7.762 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.329 3.285 -8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.387 4.483 -9.340 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.159 2.585 -7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.512 4.214 -7.956 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.075 2.851 -5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -2.733 3.969 -5.630 1.00 0.00 H new ATOM 155 N MET A 87 -7.245 4.057 -6.895 1.00 0.00 N ATOM 156 CA MET A 87 -8.692 3.889 -6.822 1.00 0.00 C ATOM 157 C MET A 87 -9.151 3.726 -5.376 1.00 0.00 C ATOM 158 O MET A 87 -8.354 3.411 -4.493 1.00 0.00 O ATOM 159 CB MET A 87 -9.128 2.676 -7.646 1.00 0.00 C ATOM 160 CG MET A 87 -10.626 2.418 -7.601 1.00 0.00 C ATOM 161 SD MET A 87 -11.094 0.903 -8.458 1.00 0.00 S ATOM 162 CE MET A 87 -10.881 1.399 -10.165 1.00 0.00 C ATOM 0 H MET A 87 -6.710 3.277 -6.513 1.00 0.00 H new ATOM 0 HA MET A 87 -9.156 4.786 -7.232 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.824 2.823 -8.682 1.00 0.00 H new ATOM 0 HB3 MET A 87 -8.604 1.792 -7.282 1.00 0.00 H new ATOM 0 HG2 MET A 87 -10.950 2.358 -6.562 1.00 0.00 H new ATOM 0 HG3 MET A 87 -11.150 3.262 -8.050 1.00 0.00 H new ATOM 0 HE1 MET A 87 -11.266 0.619 -10.821 1.00 0.00 H new ATOM 0 HE2 MET A 87 -11.425 2.326 -10.345 1.00 0.00 H new ATOM 0 HE3 MET A 87 -9.822 1.555 -10.369 1.00 0.00 H new ATOM 172 N VAL A 88 -10.441 3.943 -5.144 1.00 0.00 N ATOM 173 CA VAL A 88 -11.010 3.821 -3.807 1.00 0.00 C ATOM 174 C VAL A 88 -11.108 2.359 -3.385 1.00 0.00 C ATOM 175 O VAL A 88 -11.164 1.462 -4.226 1.00 0.00 O ATOM 176 CB VAL A 88 -12.410 4.463 -3.731 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.106 4.082 -2.433 1.00 0.00 C ATOM 178 CG2 VAL A 88 -12.310 5.973 -3.869 1.00 0.00 C ATOM 0 H VAL A 88 -11.113 4.205 -5.865 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.341 4.349 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.009 4.084 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.092 4.545 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.212 2.998 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.513 4.429 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.307 6.410 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.693 6.372 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.858 6.221 -4.829 1.00 0.00 H new ATOM 188 N GLY A 89 -11.129 2.127 -2.077 1.00 0.00 N ATOM 189 CA GLY A 89 -11.220 0.773 -1.564 1.00 0.00 C ATOM 190 C GLY A 89 -11.044 0.711 -0.060 1.00 0.00 C ATOM 191 O GLY A 89 -11.795 1.339 0.686 1.00 0.00 O ATOM 0 H GLY A 89 -11.085 2.853 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.189 0.351 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.460 0.155 -2.042 1.00 0.00 H new ATOM 195 N THR A 90 -10.050 -0.050 0.386 1.00 0.00 N ATOM 196 CA THR A 90 -9.777 -0.191 1.812 1.00 0.00 C ATOM 197 C THR A 90 -8.359 -0.699 2.047 1.00 0.00 C ATOM 198 O THR A 90 -8.067 -1.876 1.834 1.00 0.00 O ATOM 199 CB THR A 90 -10.786 -1.146 2.452 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.103 -0.841 2.032 1.00 0.00 O ATOM 201 CG2 THR A 90 -10.767 -1.110 3.966 1.00 0.00 C ATOM 0 H THR A 90 -9.421 -0.578 -0.219 1.00 0.00 H new ATOM 0 HA THR A 90 -9.872 0.792 2.274 1.00 0.00 H new ATOM 0 HB THR A 90 -10.488 -2.142 2.124 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.176 0.120 1.855 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.506 -1.810 4.356 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.777 -1.391 4.324 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.005 -0.103 4.309 1.00 0.00 H new ATOM 209 N PHE A 91 -7.482 0.196 2.488 1.00 0.00 N ATOM 210 CA PHE A 91 -6.093 -0.164 2.754 1.00 0.00 C ATOM 211 C PHE A 91 -6.006 -1.208 3.862 1.00 0.00 C ATOM 212 O PHE A 91 -6.919 -1.337 4.679 1.00 0.00 O ATOM 213 CB PHE A 91 -5.288 1.077 3.140 1.00 0.00 C ATOM 214 CG PHE A 91 -3.954 0.757 3.751 1.00 0.00 C ATOM 215 CD1 PHE A 91 -2.955 0.155 2.994 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.696 1.055 5.084 1.00 0.00 C ATOM 217 CE1 PHE A 91 -1.724 -0.144 3.555 1.00 0.00 C ATOM 218 CE2 PHE A 91 -2.467 0.759 5.651 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.481 0.158 4.885 1.00 0.00 C ATOM 0 H PHE A 91 -7.707 1.174 2.669 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.672 -0.591 1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.135 1.692 2.253 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.868 1.673 3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.141 -0.082 1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.462 1.523 5.685 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.956 -0.611 2.957 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.278 0.996 6.688 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.523 -0.075 5.325 1.00 0.00 H new ATOM 229 N TYR A 92 -4.905 -1.952 3.885 1.00 0.00 N ATOM 230 CA TYR A 92 -4.707 -2.985 4.894 1.00 0.00 C ATOM 231 C TYR A 92 -3.236 -3.375 5.000 1.00 0.00 C ATOM 232 O TYR A 92 -2.416 -2.983 4.171 1.00 0.00 O ATOM 233 CB TYR A 92 -5.548 -4.216 4.561 1.00 0.00 C ATOM 234 CG TYR A 92 -6.902 -4.223 5.235 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.011 -4.155 6.622 1.00 0.00 C ATOM 236 CD2 TYR A 92 -8.073 -4.301 4.484 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.250 -4.163 7.243 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.316 -4.309 5.097 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.398 -4.239 6.476 1.00 0.00 C ATOM 240 OH TYR A 92 -10.631 -4.246 7.088 1.00 0.00 O ATOM 0 H TYR A 92 -4.139 -1.859 3.218 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.025 -2.582 5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.688 -4.269 3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.000 -5.111 4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.116 -4.095 7.223 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.011 -4.356 3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.318 -4.110 8.320 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.215 -4.370 4.502 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.334 -4.302 6.407 1.00 0.00 H new ATOM 250 N ARG A 93 -2.912 -4.151 6.029 1.00 0.00 N ATOM 251 CA ARG A 93 -1.542 -4.600 6.249 1.00 0.00 C ATOM 252 C ARG A 93 -1.502 -6.095 6.545 1.00 0.00 C ATOM 253 O ARG A 93 -0.603 -6.805 6.094 1.00 0.00 O ATOM 254 CB ARG A 93 -0.910 -3.827 7.408 1.00 0.00 C ATOM 255 CG ARG A 93 -1.513 -2.447 7.619 1.00 0.00 C ATOM 256 CD ARG A 93 -0.435 -1.384 7.766 1.00 0.00 C ATOM 257 NE ARG A 93 -0.052 -1.182 9.160 1.00 0.00 N ATOM 258 CZ ARG A 93 0.831 -0.272 9.555 1.00 0.00 C ATOM 259 NH1 ARG A 93 1.417 0.518 8.666 1.00 0.00 N ATOM 260 NH2 ARG A 93 1.129 -0.149 10.842 1.00 0.00 N ATOM 0 H ARG A 93 -3.580 -4.482 6.725 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.974 -4.410 5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.021 -4.407 8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.159 -3.723 7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.158 -2.198 6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.141 -2.456 8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.442 -1.675 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.794 -0.443 7.349 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.486 -1.772 9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.190 0.428 7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.095 1.216 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.680 -0.754 11.530 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.807 0.550 11.144 1.00 0.00 H new ATOM 274 N THR A 94 -2.482 -6.565 7.309 1.00 0.00 N ATOM 275 CA THR A 94 -2.560 -7.974 7.671 1.00 0.00 C ATOM 276 C THR A 94 -3.852 -8.602 7.160 1.00 0.00 C ATOM 277 O THR A 94 -4.873 -8.597 7.847 1.00 0.00 O ATOM 278 CB THR A 94 -2.468 -8.131 9.188 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.165 -7.087 9.844 1.00 0.00 O ATOM 280 CG2 THR A 94 -1.044 -8.125 9.699 1.00 0.00 C ATOM 0 H THR A 94 -3.234 -5.990 7.689 1.00 0.00 H new ATOM 0 HA THR A 94 -1.722 -8.491 7.203 1.00 0.00 H new ATOM 0 HB THR A 94 -2.915 -9.100 9.409 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.096 -7.207 10.814 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.046 -8.240 10.783 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.492 -8.949 9.248 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.567 -7.181 9.435 1.00 0.00 H new ATOM 288 N PRO A 95 -3.820 -9.153 5.937 1.00 0.00 N ATOM 289 CA PRO A 95 -4.990 -9.791 5.327 1.00 0.00 C ATOM 290 C PRO A 95 -5.419 -11.046 6.077 1.00 0.00 C ATOM 291 O PRO A 95 -4.665 -12.015 6.167 1.00 0.00 O ATOM 292 CB PRO A 95 -4.512 -10.151 3.917 1.00 0.00 C ATOM 293 CG PRO A 95 -3.026 -10.208 4.016 1.00 0.00 C ATOM 294 CD PRO A 95 -2.640 -9.198 5.060 1.00 0.00 C ATOM 0 HA PRO A 95 -5.861 -9.136 5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.923 -11.107 3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.831 -9.404 3.190 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.692 -11.207 4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.562 -9.975 3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.746 -9.503 5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.429 -8.224 4.619 1.00 0.00 H new ATOM 349 N LYS A 100 0.174 -12.200 6.348 1.00 0.00 N ATOM 350 CA LYS A 100 1.613 -12.333 6.536 1.00 0.00 C ATOM 351 C LYS A 100 2.271 -10.965 6.680 1.00 0.00 C ATOM 352 O LYS A 100 3.425 -10.775 6.296 1.00 0.00 O ATOM 353 CB LYS A 100 2.236 -13.088 5.360 1.00 0.00 C ATOM 354 CG LYS A 100 2.169 -12.327 4.046 1.00 0.00 C ATOM 355 CD LYS A 100 1.379 -13.093 2.999 1.00 0.00 C ATOM 356 CE LYS A 100 1.474 -12.429 1.635 1.00 0.00 C ATOM 357 NZ LYS A 100 0.583 -13.080 0.636 1.00 0.00 N ATOM 0 HA LYS A 100 1.783 -12.898 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.278 -13.307 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.727 -14.045 5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.708 -11.353 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.179 -12.143 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.753 -14.115 2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.334 -13.155 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.209 -11.375 1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.505 -12.470 1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.678 -12.597 -0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.851 -14.079 0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.404 -13.019 0.959 1.00 0.00 H new ATOM 371 N ALA A 101 1.527 -10.014 7.237 1.00 0.00 N ATOM 372 CA ALA A 101 2.038 -8.664 7.431 1.00 0.00 C ATOM 373 C ALA A 101 2.548 -8.078 6.120 1.00 0.00 C ATOM 374 O ALA A 101 3.723 -8.220 5.780 1.00 0.00 O ATOM 375 CB ALA A 101 3.142 -8.664 8.477 1.00 0.00 C ATOM 0 H ALA A 101 0.570 -10.154 7.561 1.00 0.00 H new ATOM 0 HA ALA A 101 1.219 -8.038 7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.515 -7.649 8.612 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.747 -9.034 9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.956 -9.309 8.147 1.00 0.00 H new ATOM 381 N PHE A 102 1.658 -7.418 5.387 1.00 0.00 N ATOM 382 CA PHE A 102 2.018 -6.808 4.112 1.00 0.00 C ATOM 383 C PHE A 102 3.253 -5.927 4.263 1.00 0.00 C ATOM 384 O PHE A 102 3.918 -5.947 5.298 1.00 0.00 O ATOM 385 CB PHE A 102 0.848 -5.986 3.570 1.00 0.00 C ATOM 386 CG PHE A 102 -0.035 -6.750 2.625 1.00 0.00 C ATOM 387 CD1 PHE A 102 0.493 -7.330 1.477 1.00 0.00 C ATOM 388 CD2 PHE A 102 -1.393 -6.891 2.884 1.00 0.00 C ATOM 389 CE1 PHE A 102 -0.319 -8.037 0.604 1.00 0.00 C ATOM 390 CE2 PHE A 102 -2.210 -7.597 2.014 1.00 0.00 C ATOM 391 CZ PHE A 102 -1.672 -8.170 0.874 1.00 0.00 C ATOM 0 H PHE A 102 0.682 -7.292 5.654 1.00 0.00 H new ATOM 0 HA PHE A 102 2.249 -7.605 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.248 -5.628 4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.239 -5.106 3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.547 -7.229 1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.817 -6.446 3.772 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.102 -8.483 -0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.264 -7.700 2.225 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.307 -8.721 0.195 1.00 0.00 H new ATOM 401 N ILE A 103 3.558 -5.156 3.224 1.00 0.00 N ATOM 402 CA ILE A 103 4.717 -4.271 3.249 1.00 0.00 C ATOM 403 C ILE A 103 4.556 -3.187 4.309 1.00 0.00 C ATOM 404 O ILE A 103 4.339 -2.018 3.989 1.00 0.00 O ATOM 405 CB ILE A 103 4.948 -3.606 1.879 1.00 0.00 C ATOM 406 CG1 ILE A 103 4.652 -4.596 0.751 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.374 -3.087 1.776 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.101 -6.008 1.054 1.00 0.00 C ATOM 0 H ILE A 103 3.021 -5.126 2.357 1.00 0.00 H new ATOM 0 HA ILE A 103 5.582 -4.889 3.493 1.00 0.00 H new ATOM 0 HB ILE A 103 4.267 -2.760 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.580 -4.599 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.144 -4.254 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.522 -2.620 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.551 -2.352 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.072 -3.916 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.859 -6.655 0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.178 -6.019 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.590 -6.369 1.947 1.00 0.00 H new ATOM 420 N GLU A 104 4.662 -3.584 5.573 1.00 0.00 N ATOM 421 CA GLU A 104 4.528 -2.649 6.683 1.00 0.00 C ATOM 422 C GLU A 104 5.589 -1.556 6.610 1.00 0.00 C ATOM 423 O GLU A 104 6.494 -1.610 5.778 1.00 0.00 O ATOM 424 CB GLU A 104 4.633 -3.389 8.017 1.00 0.00 C ATOM 425 CG GLU A 104 3.338 -3.395 8.812 1.00 0.00 C ATOM 426 CD GLU A 104 3.537 -3.839 10.248 1.00 0.00 C ATOM 427 OE1 GLU A 104 3.466 -5.059 10.507 1.00 0.00 O ATOM 428 OE2 GLU A 104 3.762 -2.967 11.113 1.00 0.00 O ATOM 0 H GLU A 104 4.841 -4.548 5.854 1.00 0.00 H new ATOM 0 HA GLU A 104 3.546 -2.180 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.939 -4.418 7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.417 -2.928 8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.905 -2.395 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.621 -4.058 8.327 1.00 0.00 H new ATOM 435 N VAL A 105 5.469 -0.565 7.487 1.00 0.00 N ATOM 436 CA VAL A 105 6.415 0.543 7.525 1.00 0.00 C ATOM 437 C VAL A 105 7.807 0.066 7.928 1.00 0.00 C ATOM 438 O VAL A 105 7.952 -0.932 8.634 1.00 0.00 O ATOM 439 CB VAL A 105 5.959 1.637 8.507 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.019 2.722 8.627 1.00 0.00 C ATOM 441 CG2 VAL A 105 4.627 2.228 8.068 1.00 0.00 C ATOM 0 H VAL A 105 4.725 -0.507 8.182 1.00 0.00 H new ATOM 0 HA VAL A 105 6.453 0.959 6.518 1.00 0.00 H new ATOM 0 HB VAL A 105 5.823 1.184 9.489 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.679 3.487 9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.948 2.284 8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.190 3.173 7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.321 3.000 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.733 2.666 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.872 1.442 8.039 1.00 0.00 H new ATOM 451 N GLY A 106 8.826 0.789 7.476 1.00 0.00 N ATOM 452 CA GLY A 106 10.194 0.429 7.801 1.00 0.00 C ATOM 453 C GLY A 106 10.607 -0.900 7.197 1.00 0.00 C ATOM 454 O GLY A 106 11.688 -1.411 7.491 1.00 0.00 O ATOM 0 H GLY A 106 8.729 1.618 6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.866 1.210 7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.306 0.382 8.884 1.00 0.00 H new ATOM 458 N GLN A 107 9.748 -1.460 6.352 1.00 0.00 N ATOM 459 CA GLN A 107 10.037 -2.737 5.709 1.00 0.00 C ATOM 460 C GLN A 107 10.799 -2.528 4.403 1.00 0.00 C ATOM 461 O GLN A 107 10.891 -1.409 3.899 1.00 0.00 O ATOM 462 CB GLN A 107 8.740 -3.503 5.439 1.00 0.00 C ATOM 463 CG GLN A 107 8.949 -4.799 4.670 1.00 0.00 C ATOM 464 CD GLN A 107 7.683 -5.628 4.571 1.00 0.00 C ATOM 465 OE1 GLN A 107 6.780 -5.504 5.398 1.00 0.00 O ATOM 466 NE2 GLN A 107 7.612 -6.478 3.554 1.00 0.00 N ATOM 0 H GLN A 107 8.849 -1.052 6.097 1.00 0.00 H new ATOM 0 HA GLN A 107 10.661 -3.322 6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.256 -3.728 6.389 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.059 -2.863 4.878 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.307 -4.568 3.667 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.726 -5.386 5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.385 -6.547 2.892 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.784 -7.062 3.434 1.00 0.00 H new ATOM 475 N LYS A 108 11.344 -3.612 3.860 1.00 0.00 N ATOM 476 CA LYS A 108 12.097 -3.547 2.613 1.00 0.00 C ATOM 477 C LYS A 108 11.250 -4.026 1.439 1.00 0.00 C ATOM 478 O LYS A 108 10.513 -5.006 1.551 1.00 0.00 O ATOM 479 CB LYS A 108 13.367 -4.391 2.717 1.00 0.00 C ATOM 480 CG LYS A 108 13.197 -5.641 3.567 1.00 0.00 C ATOM 481 CD LYS A 108 13.386 -5.338 5.045 1.00 0.00 C ATOM 482 CE LYS A 108 14.296 -6.357 5.709 1.00 0.00 C ATOM 483 NZ LYS A 108 15.426 -5.708 6.429 1.00 0.00 N ATOM 0 H LYS A 108 11.278 -4.546 4.264 1.00 0.00 H new ATOM 0 HA LYS A 108 12.372 -2.507 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.683 -4.683 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.166 -3.781 3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.204 -6.061 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.918 -6.396 3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.809 -4.340 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.417 -5.334 5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.717 -6.958 6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.690 -7.038 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.023 -6.438 6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.994 -5.155 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.051 -5.078 7.166 1.00 0.00 H new ATOM 497 N VAL A 109 11.360 -3.328 0.315 1.00 0.00 N ATOM 498 CA VAL A 109 10.606 -3.681 -0.881 1.00 0.00 C ATOM 499 C VAL A 109 11.159 -2.964 -2.106 1.00 0.00 C ATOM 500 O VAL A 109 12.073 -2.148 -1.999 1.00 0.00 O ATOM 501 CB VAL A 109 9.112 -3.335 -0.730 1.00 0.00 C ATOM 502 CG1 VAL A 109 8.309 -4.576 -0.375 1.00 0.00 C ATOM 503 CG2 VAL A 109 8.919 -2.247 0.315 1.00 0.00 C ATOM 0 H VAL A 109 11.965 -2.514 0.207 1.00 0.00 H new ATOM 0 HA VAL A 109 10.708 -4.758 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 109 8.747 -2.957 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.257 -4.311 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.421 -5.320 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.673 -4.988 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.858 -2.016 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.300 -2.593 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.460 -1.351 0.012 1.00 0.00 H new ATOM 513 N ASN A 110 10.598 -3.271 -3.271 1.00 0.00 N ATOM 514 CA ASN A 110 11.037 -2.653 -4.516 1.00 0.00 C ATOM 515 C ASN A 110 10.075 -2.977 -5.653 1.00 0.00 C ATOM 516 O ASN A 110 8.912 -3.307 -5.422 1.00 0.00 O ATOM 517 CB ASN A 110 12.445 -3.126 -4.874 1.00 0.00 C ATOM 518 CG ASN A 110 13.409 -1.973 -5.082 1.00 0.00 C ATOM 519 OD1 ASN A 110 13.823 -1.316 -4.128 1.00 0.00 O ATOM 520 ND2 ASN A 110 13.771 -1.722 -6.334 1.00 0.00 N ATOM 0 H ASN A 110 9.839 -3.944 -3.379 1.00 0.00 H new ATOM 0 HA ASN A 110 11.049 -1.573 -4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 110 12.821 -3.771 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 110 12.403 -3.729 -5.781 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.417 -0.959 -6.535 1.00 0.00 H new ATOM 0 HD22 ASN A 110 13.403 -2.292 -7.095 1.00 0.00 H new ATOM 527 N VAL A 111 10.569 -2.881 -6.883 1.00 0.00 N ATOM 528 CA VAL A 111 9.755 -3.164 -8.058 1.00 0.00 C ATOM 529 C VAL A 111 9.343 -4.631 -8.101 1.00 0.00 C ATOM 530 O VAL A 111 10.166 -5.524 -7.899 1.00 0.00 O ATOM 531 CB VAL A 111 10.505 -2.816 -9.358 1.00 0.00 C ATOM 532 CG1 VAL A 111 9.557 -2.846 -10.547 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.181 -1.459 -9.239 1.00 0.00 C ATOM 0 H VAL A 111 11.530 -2.609 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 111 8.864 -2.541 -7.983 1.00 0.00 H new ATOM 0 HB VAL A 111 11.278 -3.567 -9.521 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.105 -2.598 -11.456 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.126 -3.843 -10.644 1.00 0.00 H new ATOM 0 HG13 VAL A 111 8.759 -2.119 -10.395 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.705 -1.231 -10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.429 -0.693 -9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 111 11.894 -1.479 -8.415 1.00 0.00 H new ATOM 543 N GLY A 112 8.063 -4.875 -8.367 1.00 0.00 N ATOM 544 CA GLY A 112 7.564 -6.236 -8.434 1.00 0.00 C ATOM 545 C GLY A 112 7.358 -6.849 -7.062 1.00 0.00 C ATOM 546 O GLY A 112 7.173 -8.060 -6.939 1.00 0.00 O ATOM 0 H GLY A 112 7.362 -4.153 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.620 -6.247 -8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.265 -6.849 -9.000 1.00 0.00 H new ATOM 550 N ASP A 113 7.388 -6.013 -6.030 1.00 0.00 N ATOM 551 CA ASP A 113 7.203 -6.481 -4.661 1.00 0.00 C ATOM 552 C ASP A 113 5.793 -6.173 -4.165 1.00 0.00 C ATOM 553 O ASP A 113 5.419 -5.010 -4.018 1.00 0.00 O ATOM 554 CB ASP A 113 8.234 -5.838 -3.736 1.00 0.00 C ATOM 555 CG ASP A 113 9.234 -6.843 -3.196 1.00 0.00 C ATOM 556 OD1 ASP A 113 8.799 -7.895 -2.682 1.00 0.00 O ATOM 557 OD2 ASP A 113 10.451 -6.579 -3.288 1.00 0.00 O ATOM 0 H ASP A 113 7.539 -5.008 -6.115 1.00 0.00 H new ATOM 0 HA ASP A 113 7.343 -7.562 -4.652 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.766 -5.056 -4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.721 -5.357 -2.903 1.00 0.00 H new ATOM 562 N THR A 114 5.018 -7.224 -3.913 1.00 0.00 N ATOM 563 CA THR A 114 3.647 -7.070 -3.435 1.00 0.00 C ATOM 564 C THR A 114 3.515 -5.855 -2.522 1.00 0.00 C ATOM 565 O THR A 114 4.478 -5.445 -1.875 1.00 0.00 O ATOM 566 CB THR A 114 3.200 -8.330 -2.691 1.00 0.00 C ATOM 567 OG1 THR A 114 4.079 -9.407 -2.960 1.00 0.00 O ATOM 568 CG2 THR A 114 1.800 -8.775 -3.056 1.00 0.00 C ATOM 0 H THR A 114 5.316 -8.192 -4.032 1.00 0.00 H new ATOM 0 HA THR A 114 3.005 -6.918 -4.303 1.00 0.00 H new ATOM 0 HB THR A 114 3.214 -8.064 -1.634 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.779 -10.204 -2.475 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.545 -9.673 -2.493 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.092 -7.982 -2.814 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.753 -8.990 -4.124 1.00 0.00 H new ATOM 576 N LEU A 115 2.316 -5.284 -2.478 1.00 0.00 N ATOM 577 CA LEU A 115 2.055 -4.114 -1.647 1.00 0.00 C ATOM 578 C LEU A 115 1.020 -4.429 -0.572 1.00 0.00 C ATOM 579 O LEU A 115 1.352 -4.541 0.609 1.00 0.00 O ATOM 580 CB LEU A 115 1.570 -2.948 -2.512 1.00 0.00 C ATOM 581 CG LEU A 115 1.539 -1.591 -1.808 1.00 0.00 C ATOM 582 CD1 LEU A 115 2.761 -0.768 -2.182 1.00 0.00 C ATOM 583 CD2 LEU A 115 0.261 -0.840 -2.154 1.00 0.00 C ATOM 0 H LEU A 115 1.509 -5.613 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 115 2.987 -3.832 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.215 -2.872 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.567 -3.176 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 115 1.557 -1.761 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.722 0.194 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.664 -1.301 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.775 -0.607 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.256 0.123 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.213 -0.681 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.602 -1.424 -1.835 1.00 0.00 H new ATOM 595 N CYS A 116 -0.234 -4.570 -0.989 1.00 0.00 N ATOM 596 CA CYS A 116 -1.321 -4.871 -0.062 1.00 0.00 C ATOM 597 C CYS A 116 -2.661 -4.918 -0.790 1.00 0.00 C ATOM 598 O CYS A 116 -2.814 -4.343 -1.867 1.00 0.00 O ATOM 599 CB CYS A 116 -1.372 -3.826 1.055 1.00 0.00 C ATOM 600 SG CYS A 116 -2.218 -2.296 0.595 1.00 0.00 S ATOM 0 H CYS A 116 -0.524 -4.481 -1.963 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.130 -5.851 0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -1.873 -4.259 1.921 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.354 -3.588 1.362 1.00 0.00 H new ATOM 0 HG CYS A 116 -2.191 -1.467 1.596 1.00 0.00 H new ATOM 606 N ILE A 117 -3.629 -5.611 -0.195 1.00 0.00 N ATOM 607 CA ILE A 117 -4.956 -5.736 -0.787 1.00 0.00 C ATOM 608 C ILE A 117 -5.756 -4.445 -0.636 1.00 0.00 C ATOM 609 O ILE A 117 -5.649 -3.751 0.374 1.00 0.00 O ATOM 610 CB ILE A 117 -5.751 -6.894 -0.149 1.00 0.00 C ATOM 611 CG1 ILE A 117 -5.148 -8.241 -0.545 1.00 0.00 C ATOM 612 CG2 ILE A 117 -7.214 -6.827 -0.562 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.951 -9.180 0.626 1.00 0.00 C ATOM 0 H ILE A 117 -3.518 -6.094 0.696 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.807 -5.945 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.692 -6.794 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.796 -8.719 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -4.187 -8.072 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.760 -7.651 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.642 -5.880 -0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.290 -6.901 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.520 -10.117 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.278 -8.721 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.913 -9.379 1.099 1.00 0.00 H new ATOM 625 N VAL A 118 -6.565 -4.139 -1.647 1.00 0.00 N ATOM 626 CA VAL A 118 -7.395 -2.942 -1.627 1.00 0.00 C ATOM 627 C VAL A 118 -8.809 -3.277 -1.169 1.00 0.00 C ATOM 628 O VAL A 118 -9.530 -2.420 -0.659 1.00 0.00 O ATOM 629 CB VAL A 118 -7.465 -2.277 -3.015 1.00 0.00 C ATOM 630 CG1 VAL A 118 -8.141 -0.918 -2.924 1.00 0.00 C ATOM 631 CG2 VAL A 118 -6.075 -2.151 -3.620 1.00 0.00 C ATOM 0 H VAL A 118 -6.662 -4.705 -2.490 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.934 -2.246 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 118 -8.063 -2.911 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.181 -0.464 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -9.154 -1.040 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.574 -0.274 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.146 -1.679 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.448 -1.542 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.633 -3.142 -3.726 1.00 0.00 H new ATOM 641 N GLU A 119 -9.195 -4.536 -1.357 1.00 0.00 N ATOM 642 CA GLU A 119 -10.521 -5.001 -0.967 1.00 0.00 C ATOM 643 C GLU A 119 -11.562 -3.905 -1.165 1.00 0.00 C ATOM 644 O GLU A 119 -12.282 -3.543 -0.234 1.00 0.00 O ATOM 645 CB GLU A 119 -10.516 -5.462 0.492 1.00 0.00 C ATOM 646 CG GLU A 119 -11.895 -5.807 1.027 1.00 0.00 C ATOM 647 CD GLU A 119 -12.226 -5.063 2.305 1.00 0.00 C ATOM 648 OE1 GLU A 119 -11.551 -4.053 2.597 1.00 0.00 O ATOM 649 OE2 GLU A 119 -13.160 -5.491 3.016 1.00 0.00 O ATOM 0 H GLU A 119 -8.606 -5.254 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.784 -5.845 -1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.870 -6.335 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.082 -4.677 1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.644 -5.573 0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.952 -6.880 1.210 1.00 0.00 H new ATOM 656 N ALA A 120 -11.637 -3.382 -2.384 1.00 0.00 N ATOM 657 CA ALA A 120 -12.592 -2.328 -2.704 1.00 0.00 C ATOM 658 C ALA A 120 -14.017 -2.871 -2.720 1.00 0.00 C ATOM 659 O ALA A 120 -14.982 -2.111 -2.658 1.00 0.00 O ATOM 660 CB ALA A 120 -12.251 -1.697 -4.047 1.00 0.00 C ATOM 0 H ALA A 120 -11.049 -3.670 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.528 -1.563 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.972 -0.912 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -11.250 -1.269 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.287 -2.458 -4.826 1.00 0.00 H new ATOM 666 N MET A 121 -14.136 -4.192 -2.801 1.00 0.00 N ATOM 667 CA MET A 121 -15.438 -4.845 -2.824 1.00 0.00 C ATOM 668 C MET A 121 -15.283 -6.348 -3.042 1.00 0.00 C ATOM 669 O MET A 121 -15.920 -6.927 -3.921 1.00 0.00 O ATOM 670 CB MET A 121 -16.315 -4.250 -3.927 1.00 0.00 C ATOM 671 CG MET A 121 -15.772 -4.484 -5.327 1.00 0.00 C ATOM 672 SD MET A 121 -16.228 -3.173 -6.477 1.00 0.00 S ATOM 673 CE MET A 121 -15.676 -3.877 -8.029 1.00 0.00 C ATOM 0 H MET A 121 -13.344 -4.832 -2.852 1.00 0.00 H new ATOM 0 HA MET A 121 -15.918 -4.678 -1.860 1.00 0.00 H new ATOM 0 HB2 MET A 121 -17.314 -4.680 -3.857 1.00 0.00 H new ATOM 0 HB3 MET A 121 -16.417 -3.178 -3.760 1.00 0.00 H new ATOM 0 HG2 MET A 121 -14.686 -4.562 -5.283 1.00 0.00 H new ATOM 0 HG3 MET A 121 -16.145 -5.437 -5.702 1.00 0.00 H new ATOM 0 HE1 MET A 121 -15.890 -3.181 -8.840 1.00 0.00 H new ATOM 0 HE2 MET A 121 -14.603 -4.063 -7.983 1.00 0.00 H new ATOM 0 HE3 MET A 121 -16.199 -4.816 -8.209 1.00 0.00 H new ATOM 683 N LYS A 122 -14.427 -6.969 -2.238 1.00 0.00 N ATOM 684 CA LYS A 122 -14.182 -8.402 -2.344 1.00 0.00 C ATOM 685 C LYS A 122 -13.463 -8.733 -3.647 1.00 0.00 C ATOM 686 O LYS A 122 -13.685 -9.788 -4.241 1.00 0.00 O ATOM 687 CB LYS A 122 -15.499 -9.177 -2.257 1.00 0.00 C ATOM 688 CG LYS A 122 -15.885 -9.566 -0.839 1.00 0.00 C ATOM 689 CD LYS A 122 -14.699 -10.134 -0.076 1.00 0.00 C ATOM 690 CE LYS A 122 -13.997 -9.061 0.744 1.00 0.00 C ATOM 691 NZ LYS A 122 -14.484 -9.013 2.119 1.00 0.00 N ATOM 0 H LYS A 122 -13.891 -6.502 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.543 -8.700 -1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -16.296 -8.571 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.420 -10.079 -2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -16.273 -8.693 -0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -16.687 -10.303 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.038 -10.933 0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.992 -10.578 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -12.924 -9.252 0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.147 -8.090 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -13.979 -8.269 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -15.503 -8.805 2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -14.318 -9.931 2.578 1.00 0.00 H new ATOM 702 N MET A 123 -12.598 -7.823 -4.082 1.00 0.00 N ATOM 703 CA MET A 123 -11.841 -8.012 -5.313 1.00 0.00 C ATOM 704 C MET A 123 -10.396 -8.390 -5.005 1.00 0.00 C ATOM 705 O MET A 123 -9.680 -8.904 -5.864 1.00 0.00 O ATOM 706 CB MET A 123 -11.883 -6.737 -6.159 1.00 0.00 C ATOM 707 CG MET A 123 -10.805 -6.673 -7.230 1.00 0.00 C ATOM 708 SD MET A 123 -10.580 -5.008 -7.885 1.00 0.00 S ATOM 709 CE MET A 123 -10.367 -4.074 -6.371 1.00 0.00 C ATOM 0 H MET A 123 -12.404 -6.946 -3.599 1.00 0.00 H new ATOM 0 HA MET A 123 -12.297 -8.826 -5.876 1.00 0.00 H new ATOM 0 HB2 MET A 123 -12.860 -6.661 -6.636 1.00 0.00 H new ATOM 0 HB3 MET A 123 -11.781 -5.873 -5.502 1.00 0.00 H new ATOM 0 HG2 MET A 123 -9.862 -7.026 -6.813 1.00 0.00 H new ATOM 0 HG3 MET A 123 -11.066 -7.348 -8.045 1.00 0.00 H new ATOM 0 HE1 MET A 123 -9.681 -3.245 -6.548 1.00 0.00 H new ATOM 0 HE2 MET A 123 -11.331 -3.684 -6.045 1.00 0.00 H new ATOM 0 HE3 MET A 123 -9.958 -4.724 -5.597 1.00 0.00 H new ATOM 719 N MET A 124 -9.974 -8.131 -3.771 1.00 0.00 N ATOM 720 CA MET A 124 -8.617 -8.443 -3.345 1.00 0.00 C ATOM 721 C MET A 124 -7.590 -7.845 -4.301 1.00 0.00 C ATOM 722 O MET A 124 -6.609 -8.497 -4.660 1.00 0.00 O ATOM 723 CB MET A 124 -8.425 -9.957 -3.253 1.00 0.00 C ATOM 724 CG MET A 124 -9.692 -10.709 -2.876 1.00 0.00 C ATOM 725 SD MET A 124 -9.965 -10.761 -1.095 1.00 0.00 S ATOM 726 CE MET A 124 -11.644 -10.147 -0.990 1.00 0.00 C ATOM 0 H MET A 124 -10.555 -7.705 -3.049 1.00 0.00 H new ATOM 0 HA MET A 124 -8.464 -8.003 -2.360 1.00 0.00 H new ATOM 0 HB2 MET A 124 -8.064 -10.328 -4.212 1.00 0.00 H new ATOM 0 HB3 MET A 124 -7.651 -10.173 -2.516 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.548 -10.235 -3.357 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.633 -11.727 -3.261 1.00 0.00 H new ATOM 0 HE1 MET A 124 -12.133 -10.574 -0.115 1.00 0.00 H new ATOM 0 HE2 MET A 124 -11.629 -9.061 -0.904 1.00 0.00 H new ATOM 0 HE3 MET A 124 -12.193 -10.432 -1.888 1.00 0.00 H new ATOM 736 N ASN A 125 -7.819 -6.601 -4.708 1.00 0.00 N ATOM 737 CA ASN A 125 -6.906 -5.919 -5.618 1.00 0.00 C ATOM 738 C ASN A 125 -5.598 -5.584 -4.911 1.00 0.00 C ATOM 739 O ASN A 125 -5.347 -4.431 -4.561 1.00 0.00 O ATOM 740 CB ASN A 125 -7.549 -4.643 -6.165 1.00 0.00 C ATOM 741 CG ASN A 125 -6.528 -3.689 -6.756 1.00 0.00 C ATOM 742 OD1 ASN A 125 -5.383 -4.064 -7.008 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.939 -2.445 -6.978 1.00 0.00 N ATOM 0 H ASN A 125 -8.626 -6.046 -4.423 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.691 -6.588 -6.451 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -8.281 -4.907 -6.929 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -8.091 -4.140 -5.364 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -6.296 -1.758 -7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -7.897 -2.177 -6.754 1.00 0.00 H new ATOM 750 N GLN A 126 -4.772 -6.601 -4.699 1.00 0.00 N ATOM 751 CA GLN A 126 -3.492 -6.417 -4.027 1.00 0.00 C ATOM 752 C GLN A 126 -2.443 -5.861 -4.984 1.00 0.00 C ATOM 753 O GLN A 126 -2.016 -6.540 -5.917 1.00 0.00 O ATOM 754 CB GLN A 126 -3.012 -7.741 -3.432 1.00 0.00 C ATOM 755 CG GLN A 126 -2.535 -8.739 -4.475 1.00 0.00 C ATOM 756 CD GLN A 126 -2.249 -10.105 -3.885 1.00 0.00 C ATOM 757 OE1 GLN A 126 -1.248 -10.300 -3.195 1.00 0.00 O ATOM 758 NE2 GLN A 126 -3.129 -11.063 -4.155 1.00 0.00 N ATOM 0 H GLN A 126 -4.966 -7.561 -4.983 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.634 -5.695 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.200 -7.542 -2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.824 -8.188 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.291 -8.835 -5.254 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.633 -8.357 -4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -3.945 -10.858 -4.731 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -2.988 -12.003 -3.786 1.00 0.00 H new ATOM 767 N ILE A 127 -2.033 -4.621 -4.741 1.00 0.00 N ATOM 768 CA ILE A 127 -1.032 -3.968 -5.575 1.00 0.00 C ATOM 769 C ILE A 127 0.361 -4.507 -5.279 1.00 0.00 C ATOM 770 O ILE A 127 0.619 -5.026 -4.192 1.00 0.00 O ATOM 771 CB ILE A 127 -1.031 -2.442 -5.362 1.00 0.00 C ATOM 772 CG1 ILE A 127 -2.455 -1.890 -5.442 1.00 0.00 C ATOM 773 CG2 ILE A 127 -0.134 -1.766 -6.387 1.00 0.00 C ATOM 774 CD1 ILE A 127 -3.068 -1.997 -6.821 1.00 0.00 C ATOM 0 H ILE A 127 -2.379 -4.047 -3.972 1.00 0.00 H new ATOM 0 HA ILE A 127 -1.294 -4.184 -6.611 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.638 -2.229 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -3.084 -2.426 -4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -2.448 -0.844 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.143 -0.688 -6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 127 0.884 -2.140 -6.282 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.499 -1.984 -7.390 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -4.078 -1.587 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.461 -1.438 -7.533 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -3.107 -3.044 -7.121 1.00 0.00 H new ATOM 786 N GLU A 128 1.259 -4.379 -6.251 1.00 0.00 N ATOM 787 CA GLU A 128 2.630 -4.852 -6.092 1.00 0.00 C ATOM 788 C GLU A 128 3.625 -3.732 -6.375 1.00 0.00 C ATOM 789 O GLU A 128 3.760 -3.280 -7.512 1.00 0.00 O ATOM 790 CB GLU A 128 2.896 -6.037 -7.021 1.00 0.00 C ATOM 791 CG GLU A 128 3.267 -5.630 -8.437 1.00 0.00 C ATOM 792 CD GLU A 128 2.885 -6.679 -9.464 1.00 0.00 C ATOM 793 OE1 GLU A 128 2.504 -7.796 -9.058 1.00 0.00 O ATOM 794 OE2 GLU A 128 2.966 -6.382 -10.674 1.00 0.00 O ATOM 0 H GLU A 128 1.062 -3.952 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 128 2.759 -5.177 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.701 -6.642 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 128 2.008 -6.668 -7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.773 -4.690 -8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.341 -5.449 -8.490 1.00 0.00 H new ATOM 801 N ALA A 129 4.318 -3.289 -5.333 1.00 0.00 N ATOM 802 CA ALA A 129 5.302 -2.220 -5.465 1.00 0.00 C ATOM 803 C ALA A 129 6.092 -2.355 -6.762 1.00 0.00 C ATOM 804 O ALA A 129 6.871 -3.293 -6.932 1.00 0.00 O ATOM 805 CB ALA A 129 6.243 -2.222 -4.271 1.00 0.00 C ATOM 0 H ALA A 129 4.217 -3.654 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 129 4.768 -1.270 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.973 -1.420 -4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.670 -2.069 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 129 6.762 -3.179 -4.218 1.00 0.00 H new ATOM 811 N ASP A 130 5.888 -1.409 -7.674 1.00 0.00 N ATOM 812 CA ASP A 130 6.584 -1.418 -8.955 1.00 0.00 C ATOM 813 C ASP A 130 7.741 -0.424 -8.948 1.00 0.00 C ATOM 814 O ASP A 130 8.189 0.031 -10.000 1.00 0.00 O ATOM 815 CB ASP A 130 5.614 -1.085 -10.090 1.00 0.00 C ATOM 816 CG ASP A 130 5.171 0.365 -10.064 1.00 0.00 C ATOM 817 OD1 ASP A 130 4.194 0.674 -9.348 1.00 0.00 O ATOM 818 OD2 ASP A 130 5.799 1.191 -10.757 1.00 0.00 O ATOM 0 H ASP A 130 5.246 -0.626 -7.549 1.00 0.00 H new ATOM 0 HA ASP A 130 6.987 -2.418 -9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.091 -1.300 -11.047 1.00 0.00 H new ATOM 0 HB3 ASP A 130 4.739 -1.731 -10.018 1.00 0.00 H new ATOM 823 N LYS A 131 8.215 -0.090 -7.752 1.00 0.00 N ATOM 824 CA LYS A 131 9.318 0.851 -7.598 1.00 0.00 C ATOM 825 C LYS A 131 9.460 1.278 -6.142 1.00 0.00 C ATOM 826 O LYS A 131 9.038 2.369 -5.760 1.00 0.00 O ATOM 827 CB LYS A 131 9.096 2.080 -8.482 1.00 0.00 C ATOM 828 CG LYS A 131 10.230 2.338 -9.461 1.00 0.00 C ATOM 829 CD LYS A 131 10.330 3.812 -9.819 1.00 0.00 C ATOM 830 CE LYS A 131 10.298 4.025 -11.324 1.00 0.00 C ATOM 831 NZ LYS A 131 9.404 5.152 -11.708 1.00 0.00 N ATOM 0 H LYS A 131 7.851 -0.458 -6.873 1.00 0.00 H new ATOM 0 HA LYS A 131 10.237 0.353 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.168 1.954 -9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 131 8.969 2.956 -7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.172 2.003 -9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.071 1.752 -10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 131 9.507 4.356 -9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 131 11.253 4.224 -9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 131 11.308 4.224 -11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.960 3.111 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 9.411 5.264 -12.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 8.435 4.951 -11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 9.741 6.030 -11.263 1.00 0.00 H new ATOM 845 N SER A 132 10.052 0.407 -5.330 1.00 0.00 N ATOM 846 CA SER A 132 10.242 0.697 -3.914 1.00 0.00 C ATOM 847 C SER A 132 11.703 0.543 -3.507 1.00 0.00 C ATOM 848 O SER A 132 12.607 0.674 -4.332 1.00 0.00 O ATOM 849 CB SER A 132 9.364 -0.225 -3.064 1.00 0.00 C ATOM 850 OG SER A 132 8.836 0.464 -1.944 1.00 0.00 O ATOM 0 H SER A 132 10.407 -0.502 -5.628 1.00 0.00 H new ATOM 0 HA SER A 132 9.950 1.733 -3.743 1.00 0.00 H new ATOM 0 HB2 SER A 132 8.548 -0.617 -3.671 1.00 0.00 H new ATOM 0 HB3 SER A 132 9.949 -1.080 -2.726 1.00 0.00 H new ATOM 0 HG SER A 132 8.278 -0.146 -1.418 1.00 0.00 H new ATOM 856 N GLY A 133 11.924 0.270 -2.226 1.00 0.00 N ATOM 857 CA GLY A 133 13.274 0.106 -1.717 1.00 0.00 C ATOM 858 C GLY A 133 13.312 0.068 -0.204 1.00 0.00 C ATOM 859 O GLY A 133 13.844 -0.870 0.389 1.00 0.00 O ATOM 0 H GLY A 133 11.189 0.159 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 133 13.701 -0.815 -2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 133 13.898 0.925 -2.074 1.00 0.00 H new ATOM 863 N THR A 134 12.742 1.092 0.423 1.00 0.00 N ATOM 864 CA THR A 134 12.705 1.177 1.877 1.00 0.00 C ATOM 865 C THR A 134 11.517 2.014 2.340 1.00 0.00 C ATOM 866 O THR A 134 11.646 3.216 2.576 1.00 0.00 O ATOM 867 CB THR A 134 14.008 1.780 2.405 1.00 0.00 C ATOM 868 OG1 THR A 134 15.095 0.901 2.178 1.00 0.00 O ATOM 869 CG2 THR A 134 13.968 2.087 3.888 1.00 0.00 C ATOM 0 H THR A 134 12.298 1.876 -0.055 1.00 0.00 H new ATOM 0 HA THR A 134 12.593 0.169 2.275 1.00 0.00 H new ATOM 0 HB THR A 134 14.135 2.715 1.860 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.788 0.128 1.659 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.923 2.512 4.197 1.00 0.00 H new ATOM 0 HG22 THR A 134 13.170 2.802 4.090 1.00 0.00 H new ATOM 0 HG23 THR A 134 13.782 1.169 4.445 1.00 0.00 H new ATOM 877 N VAL A 135 10.362 1.371 2.467 1.00 0.00 N ATOM 878 CA VAL A 135 9.150 2.056 2.901 1.00 0.00 C ATOM 879 C VAL A 135 9.426 2.953 4.102 1.00 0.00 C ATOM 880 O VAL A 135 9.930 2.497 5.127 1.00 0.00 O ATOM 881 CB VAL A 135 8.039 1.054 3.267 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.812 1.784 3.793 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.681 0.191 2.067 1.00 0.00 C ATOM 0 H VAL A 135 10.239 0.377 2.276 1.00 0.00 H new ATOM 0 HA VAL A 135 8.815 2.668 2.063 1.00 0.00 H new ATOM 0 HB VAL A 135 8.411 0.401 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 135 6.038 1.059 4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 135 7.081 2.353 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.437 2.463 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.895 -0.511 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.330 0.826 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 135 8.562 -0.362 1.741 1.00 0.00 H new ATOM 893 N LYS A 136 9.093 4.233 3.967 1.00 0.00 N ATOM 894 CA LYS A 136 9.307 5.194 5.043 1.00 0.00 C ATOM 895 C LYS A 136 8.169 5.136 6.056 1.00 0.00 C ATOM 896 O LYS A 136 8.405 5.057 7.262 1.00 0.00 O ATOM 897 CB LYS A 136 9.431 6.609 4.477 1.00 0.00 C ATOM 898 CG LYS A 136 10.638 7.370 5.000 1.00 0.00 C ATOM 899 CD LYS A 136 10.573 7.550 6.508 1.00 0.00 C ATOM 900 CE LYS A 136 9.305 8.274 6.929 1.00 0.00 C ATOM 901 NZ LYS A 136 9.407 8.813 8.313 1.00 0.00 N ATOM 0 H LYS A 136 8.675 4.628 3.125 1.00 0.00 H new ATOM 0 HA LYS A 136 10.236 4.933 5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.491 6.553 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.527 7.168 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.550 6.834 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.691 8.346 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.615 6.575 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 136 11.443 8.112 6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 136 9.106 9.091 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 136 8.459 7.590 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 8.522 9.299 8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 9.572 8.031 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.199 9.485 8.366 1.00 0.00 H new ATOM 915 N ALA A 137 6.935 5.175 5.562 1.00 0.00 N ATOM 916 CA ALA A 137 5.768 5.126 6.434 1.00 0.00 C ATOM 917 C ALA A 137 4.471 5.259 5.642 1.00 0.00 C ATOM 918 O ALA A 137 4.479 5.638 4.471 1.00 0.00 O ATOM 919 CB ALA A 137 5.855 6.218 7.489 1.00 0.00 C ATOM 0 H ALA A 137 6.719 5.240 4.567 1.00 0.00 H new ATOM 0 HA ALA A 137 5.759 4.153 6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.978 6.171 8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.754 6.074 8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.896 7.192 7.002 1.00 0.00 H new ATOM 925 N ILE A 138 3.357 4.945 6.296 1.00 0.00 N ATOM 926 CA ILE A 138 2.045 5.027 5.666 1.00 0.00 C ATOM 927 C ILE A 138 1.188 6.095 6.341 1.00 0.00 C ATOM 928 O ILE A 138 1.391 6.417 7.512 1.00 0.00 O ATOM 929 CB ILE A 138 1.311 3.672 5.727 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.964 2.673 4.770 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.166 3.841 5.396 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.143 1.421 4.550 1.00 0.00 C ATOM 0 H ILE A 138 3.338 4.630 7.266 1.00 0.00 H new ATOM 0 HA ILE A 138 2.202 5.296 4.621 1.00 0.00 H new ATOM 0 HB ILE A 138 1.388 3.285 6.743 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.134 3.160 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.942 2.392 5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.663 2.872 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.624 4.521 6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.269 4.251 4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.667 0.759 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.995 0.911 5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.175 1.690 4.128 1.00 0.00 H new ATOM 944 N LEU A 139 0.235 6.646 5.597 1.00 0.00 N ATOM 945 CA LEU A 139 -0.645 7.681 6.130 1.00 0.00 C ATOM 946 C LEU A 139 -2.108 7.253 6.058 1.00 0.00 C ATOM 947 O LEU A 139 -2.939 7.715 6.841 1.00 0.00 O ATOM 948 CB LEU A 139 -0.447 8.990 5.366 1.00 0.00 C ATOM 949 CG LEU A 139 0.945 9.611 5.491 1.00 0.00 C ATOM 950 CD1 LEU A 139 1.476 9.449 6.907 1.00 0.00 C ATOM 951 CD2 LEU A 139 1.900 8.984 4.487 1.00 0.00 C ATOM 0 H LEU A 139 0.052 6.394 4.626 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.385 7.834 7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.655 8.812 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.183 9.713 5.718 1.00 0.00 H new ATOM 0 HG LEU A 139 0.868 10.676 5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.467 9.897 6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.803 9.945 7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.538 8.389 7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.886 9.438 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.972 7.913 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 139 1.527 9.152 3.477 1.00 0.00 H new ATOM 963 N VAL A 140 -2.418 6.371 5.113 1.00 0.00 N ATOM 964 CA VAL A 140 -3.782 5.886 4.940 1.00 0.00 C ATOM 965 C VAL A 140 -4.339 5.327 6.246 1.00 0.00 C ATOM 966 O VAL A 140 -5.437 5.688 6.668 1.00 0.00 O ATOM 967 CB VAL A 140 -3.857 4.797 3.853 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.204 4.092 3.887 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.599 5.399 2.479 1.00 0.00 C ATOM 0 H VAL A 140 -1.744 5.978 4.456 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.384 6.740 4.630 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.083 4.057 4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.234 3.327 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.346 3.625 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -5.999 4.817 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -3.656 4.616 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.349 6.161 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.607 5.851 2.460 1.00 0.00 H new ATOM 979 N GLU A 141 -3.575 4.443 6.880 1.00 0.00 N ATOM 980 CA GLU A 141 -3.995 3.833 8.135 1.00 0.00 C ATOM 981 C GLU A 141 -4.897 2.632 7.875 1.00 0.00 C ATOM 982 O GLU A 141 -6.093 2.784 7.617 1.00 0.00 O ATOM 983 CB GLU A 141 -4.723 4.856 9.009 1.00 0.00 C ATOM 984 CG GLU A 141 -4.039 6.213 9.054 1.00 0.00 C ATOM 985 CD GLU A 141 -5.000 7.358 8.802 1.00 0.00 C ATOM 986 OE1 GLU A 141 -6.184 7.087 8.516 1.00 0.00 O ATOM 987 OE2 GLU A 141 -4.567 8.527 8.891 1.00 0.00 O ATOM 0 H GLU A 141 -2.663 4.134 6.545 1.00 0.00 H new ATOM 0 HA GLU A 141 -3.104 3.491 8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.739 4.983 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -4.802 4.464 10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -3.568 6.346 10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -3.244 6.240 8.309 1.00 0.00 H new ATOM 994 N SER A 142 -4.318 1.439 7.942 1.00 0.00 N ATOM 995 CA SER A 142 -5.068 0.211 7.712 1.00 0.00 C ATOM 996 C SER A 142 -6.458 0.298 8.339 1.00 0.00 C ATOM 997 O SER A 142 -6.703 1.134 9.209 1.00 0.00 O ATOM 998 CB SER A 142 -4.309 -0.986 8.285 1.00 0.00 C ATOM 999 OG SER A 142 -5.133 -1.749 9.150 1.00 0.00 O ATOM 0 H SER A 142 -3.331 1.296 8.154 1.00 0.00 H new ATOM 0 HA SER A 142 -5.183 0.078 6.636 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.950 -1.616 7.471 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.431 -0.637 8.829 1.00 0.00 H new ATOM 0 HG SER A 142 -4.623 -2.509 9.501 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.367 -0.567 7.893 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.716 -0.562 8.428 1.00 0.00 C ATOM 1007 C GLY A 143 -9.500 0.670 8.016 1.00 0.00 C ATOM 1008 O GLY A 143 -10.638 0.860 8.444 1.00 0.00 O ATOM 0 H GLY A 143 -7.193 -1.268 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -9.242 -1.454 8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.672 -0.614 9.516 1.00 0.00 H new ATOM 1012 N GLN A 144 -8.889 1.508 7.184 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.538 2.726 6.715 1.00 0.00 C ATOM 1014 C GLN A 144 -9.729 2.690 5.202 1.00 0.00 C ATOM 1015 O GLN A 144 -8.867 2.207 4.468 1.00 0.00 O ATOM 1016 CB GLN A 144 -8.713 3.953 7.107 1.00 0.00 C ATOM 1017 CG GLN A 144 -9.393 5.273 6.783 1.00 0.00 C ATOM 1018 CD GLN A 144 -8.439 6.450 6.836 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -8.439 7.222 7.795 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -7.618 6.594 5.801 1.00 0.00 N ATOM 0 H GLN A 144 -7.946 1.365 6.821 1.00 0.00 H new ATOM 0 HA GLN A 144 -10.518 2.791 7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -8.505 3.914 8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -7.752 3.913 6.594 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -9.837 5.214 5.789 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -10.209 5.439 7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -7.652 5.931 5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -6.954 7.368 5.781 1.00 0.00 H new ATOM 1029 N PRO A 145 -10.868 3.206 4.718 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.179 3.235 3.284 1.00 0.00 C ATOM 1031 C PRO A 145 -10.272 4.189 2.515 1.00 0.00 C ATOM 1032 O PRO A 145 -10.117 5.352 2.889 1.00 0.00 O ATOM 1033 CB PRO A 145 -12.629 3.724 3.244 1.00 0.00 C ATOM 1034 CG PRO A 145 -12.809 4.485 4.511 1.00 0.00 C ATOM 1035 CD PRO A 145 -11.943 3.801 5.531 1.00 0.00 C ATOM 0 HA PRO A 145 -11.031 2.262 2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -12.810 4.356 2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.327 2.889 3.182 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -12.515 5.527 4.385 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -13.854 4.484 4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -11.550 4.506 6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.496 3.042 6.084 1.00 0.00 H new ATOM 1043 N VAL A 146 -9.673 3.690 1.439 1.00 0.00 N ATOM 1044 CA VAL A 146 -8.780 4.499 0.616 1.00 0.00 C ATOM 1045 C VAL A 146 -9.553 5.233 -0.475 1.00 0.00 C ATOM 1046 O VAL A 146 -10.591 4.762 -0.938 1.00 0.00 O ATOM 1047 CB VAL A 146 -7.685 3.637 -0.039 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.046 2.712 0.986 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.256 2.841 -1.202 1.00 0.00 C ATOM 0 H VAL A 146 -9.789 2.729 1.116 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.311 5.227 1.279 1.00 0.00 H new ATOM 0 HB VAL A 146 -6.912 4.300 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -6.275 2.111 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -6.598 3.306 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -7.807 2.055 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -7.467 2.238 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -9.051 2.188 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -8.660 3.526 -1.948 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.040 6.389 -0.881 1.00 0.00 N ATOM 1060 CA GLU A 147 -9.682 7.189 -1.918 1.00 0.00 C ATOM 1061 C GLU A 147 -8.658 7.701 -2.924 1.00 0.00 C ATOM 1062 O GLU A 147 -7.471 7.806 -2.618 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.433 8.366 -1.292 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.166 8.007 -0.009 1.00 0.00 C ATOM 1065 CD GLU A 147 -10.548 8.652 1.216 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -9.420 9.176 1.105 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -11.193 8.633 2.286 1.00 0.00 O ATOM 0 H GLU A 147 -8.181 6.793 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 147 -10.393 6.552 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -9.725 9.168 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -11.151 8.754 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -12.208 8.317 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -11.164 6.924 0.115 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.125 8.019 -4.127 1.00 0.00 N ATOM 1075 CA PHE A 148 -8.250 8.522 -5.179 1.00 0.00 C ATOM 1076 C PHE A 148 -7.288 9.572 -4.631 1.00 0.00 C ATOM 1077 O PHE A 148 -7.712 10.599 -4.102 1.00 0.00 O ATOM 1078 CB PHE A 148 -9.076 9.116 -6.317 1.00 0.00 C ATOM 1079 CG PHE A 148 -8.505 8.844 -7.679 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -7.173 9.133 -7.959 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -9.298 8.297 -8.682 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -6.644 8.882 -9.215 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -8.773 8.045 -9.940 1.00 0.00 C ATOM 1084 CZ PHE A 148 -7.444 8.337 -10.207 1.00 0.00 C ATOM 0 H PHE A 148 -10.105 7.937 -4.397 1.00 0.00 H new ATOM 0 HA PHE A 148 -7.666 7.685 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.088 8.713 -6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -9.155 10.194 -6.174 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -6.545 9.557 -7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -10.333 8.066 -8.479 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -5.609 9.111 -9.421 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -9.399 7.621 -10.712 1.00 0.00 H new ATOM 0 HZ PHE A 148 -7.033 8.140 -11.186 1.00 0.00 H new ATOM 1094 N ASP A 149 -5.992 9.307 -4.762 1.00 0.00 N ATOM 1095 CA ASP A 149 -4.972 10.229 -4.280 1.00 0.00 C ATOM 1096 C ASP A 149 -4.818 10.128 -2.767 1.00 0.00 C ATOM 1097 O ASP A 149 -5.020 11.105 -2.045 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.325 11.664 -4.674 1.00 0.00 C ATOM 1099 CG ASP A 149 -5.807 11.767 -6.108 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -5.167 11.163 -6.994 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -6.824 12.452 -6.345 1.00 0.00 O ATOM 0 H ASP A 149 -5.624 8.461 -5.198 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.023 9.956 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -6.099 12.042 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -4.450 12.300 -4.541 1.00 0.00 H new ATOM 1106 N GLU A 150 -4.459 8.940 -2.291 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.276 8.709 -0.863 1.00 0.00 C ATOM 1108 C GLU A 150 -2.919 8.068 -0.587 1.00 0.00 C ATOM 1109 O GLU A 150 -2.654 6.946 -1.016 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.394 7.817 -0.321 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.285 8.508 0.699 1.00 0.00 C ATOM 1112 CD GLU A 150 -5.508 9.034 1.890 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -5.311 8.268 2.857 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -5.098 10.214 1.856 1.00 0.00 O ATOM 0 H GLU A 150 -4.289 8.121 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.313 9.673 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.008 7.473 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -4.952 6.932 0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -6.809 9.334 0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -7.045 7.808 1.046 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.042 8.777 0.138 1.00 0.00 N ATOM 1122 CA PRO A 151 -0.705 8.277 0.474 1.00 0.00 C ATOM 1123 C PRO A 151 -0.748 6.892 1.113 1.00 0.00 C ATOM 1124 O PRO A 151 -0.721 6.760 2.336 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.178 9.312 1.471 1.00 0.00 C ATOM 1126 CG PRO A 151 -0.924 10.560 1.153 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.285 10.123 0.686 1.00 0.00 C ATOM 0 HA PRO A 151 -0.079 8.162 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.355 8.997 2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.897 9.455 1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -1.000 11.203 2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.412 11.134 0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -3.003 10.099 1.506 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.686 10.798 -0.070 1.00 0.00 H new ATOM 1135 N LEU A 152 -0.816 5.863 0.274 1.00 0.00 N ATOM 1136 CA LEU A 152 -0.863 4.486 0.752 1.00 0.00 C ATOM 1137 C LEU A 152 0.449 4.097 1.424 1.00 0.00 C ATOM 1138 O LEU A 152 0.453 3.499 2.500 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.155 3.530 -0.406 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.631 3.188 -0.609 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.824 2.405 -1.897 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.163 2.401 0.581 1.00 0.00 C ATOM 0 H LEU A 152 -0.840 5.957 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.664 4.413 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.770 3.970 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.603 2.605 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 152 -3.194 4.118 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.881 2.170 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -2.480 3.003 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.250 1.480 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.215 2.166 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -2.596 1.476 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.059 2.997 1.487 1.00 0.00 H new ATOM 1154 N VAL A 153 1.562 4.438 0.784 1.00 0.00 N ATOM 1155 CA VAL A 153 2.879 4.123 1.321 1.00 0.00 C ATOM 1156 C VAL A 153 3.950 5.013 0.704 1.00 0.00 C ATOM 1157 O VAL A 153 4.121 5.041 -0.515 1.00 0.00 O ATOM 1158 CB VAL A 153 3.249 2.648 1.072 1.00 0.00 C ATOM 1159 CG1 VAL A 153 4.275 2.176 2.091 1.00 0.00 C ATOM 1160 CG2 VAL A 153 2.006 1.771 1.110 1.00 0.00 C ATOM 0 H VAL A 153 1.578 4.933 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 153 2.834 4.303 2.395 1.00 0.00 H new ATOM 0 HB VAL A 153 3.692 2.566 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.524 1.132 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 153 5.175 2.785 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.862 2.272 3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 153 2.287 0.733 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.531 1.856 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 153 1.308 2.095 0.338 1.00 0.00 H new ATOM 1170 N VAL A 154 4.672 5.738 1.551 1.00 0.00 N ATOM 1171 CA VAL A 154 5.727 6.626 1.084 1.00 0.00 C ATOM 1172 C VAL A 154 7.084 5.933 1.122 1.00 0.00 C ATOM 1173 O VAL A 154 7.501 5.417 2.159 1.00 0.00 O ATOM 1174 CB VAL A 154 5.798 7.914 1.924 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.409 8.502 2.122 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.468 7.645 3.263 1.00 0.00 C ATOM 0 H VAL A 154 4.545 5.728 2.563 1.00 0.00 H new ATOM 0 HA VAL A 154 5.482 6.889 0.055 1.00 0.00 H new ATOM 0 HB VAL A 154 6.401 8.643 1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 154 4.481 9.412 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.972 8.737 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.778 7.779 2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 154 6.508 8.568 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.896 6.897 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 154 7.480 7.277 3.096 1.00 0.00 H new ATOM 1186 N ILE A 155 7.765 5.922 -0.019 1.00 0.00 N ATOM 1187 CA ILE A 155 9.074 5.291 -0.124 1.00 0.00 C ATOM 1188 C ILE A 155 10.194 6.306 0.065 1.00 0.00 C ATOM 1189 O ILE A 155 10.095 7.447 -0.387 1.00 0.00 O ATOM 1190 CB ILE A 155 9.249 4.597 -1.487 1.00 0.00 C ATOM 1191 CG1 ILE A 155 8.313 3.396 -1.595 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.695 4.171 -1.689 1.00 0.00 C ATOM 1193 CD1 ILE A 155 7.947 3.049 -3.020 1.00 0.00 C ATOM 0 H ILE A 155 7.431 6.344 -0.885 1.00 0.00 H new ATOM 0 HA ILE A 155 9.131 4.545 0.669 1.00 0.00 H new ATOM 0 HB ILE A 155 8.991 5.307 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 155 8.786 2.532 -1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 155 7.402 3.603 -1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.798 3.682 -2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 155 11.341 5.048 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 155 10.983 3.477 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 155 7.280 2.187 -3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 155 7.445 3.898 -3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 155 8.851 2.811 -3.580 1.00 0.00 H new ATOM 1205 N GLU A 156 11.260 5.883 0.736 1.00 0.00 N ATOM 1206 CA GLU A 156 12.402 6.755 0.984 1.00 0.00 C ATOM 1207 C GLU A 156 13.629 6.275 0.216 1.00 0.00 C ATOM 1208 O GLU A 156 14.276 5.312 0.678 1.00 0.00 O ATOM 1209 CB GLU A 156 12.713 6.811 2.481 1.00 0.00 C ATOM 1210 CG GLU A 156 14.120 7.292 2.793 1.00 0.00 C ATOM 1211 CD GLU A 156 14.229 7.926 4.165 1.00 0.00 C ATOM 1212 OE1 GLU A 156 13.275 8.618 4.576 1.00 0.00 O ATOM 1213 OE2 GLU A 156 15.268 7.728 4.830 1.00 0.00 O ATOM 1214 OXT GLU A 156 13.933 6.866 -0.840 1.00 0.00 O ATOM 0 H GLU A 156 11.357 4.942 1.118 1.00 0.00 H new ATOM 0 HA GLU A 156 12.145 7.756 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 156 11.996 7.472 2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 156 12.574 5.819 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.810 6.450 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 156 14.429 8.015 2.038 1.00 0.00 H new