USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 541 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 121 GLN : amide:sc= -0.868! C(o=-1.9!,f=-5.6!) USER MOD Set 1.2: A 124 HIS : no HD1:sc= -1.04! C(o=-1.9!,f=-8.8!) USER MOD Single : A 67 SER OG : rot 35:sc= 0.225 USER MOD Single : A 71 SER OG : rot 13:sc= 0.241 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.287 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -168:sc= 0 (180deg=-0.0863) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0076) USER MOD Single : A 109 MET CE :methyl -152:sc= -0.275 (180deg=-0.954) USER MOD Single : A 120 SER OG : rot 87:sc= 1.05 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.738 K(o=-0.74,f=-1.6) USER MOD Single : A 125 SER OG : rot -12:sc= 0.267 USER MOD Single : A 129 HIS : no HD1:sc=-0.00552 X(o=-0.0055,f=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ARG A 66 -4.531 13.557 2.275 1.00 0.00 N ATOM 86 CA ARG A 66 -5.173 12.598 1.384 1.00 0.00 C ATOM 87 C ARG A 66 -4.590 11.201 1.578 1.00 0.00 C ATOM 88 O ARG A 66 -4.291 10.502 0.609 1.00 0.00 O ATOM 89 CB ARG A 66 -5.007 13.033 -0.073 1.00 0.00 C ATOM 90 CG ARG A 66 -5.836 14.253 -0.443 1.00 0.00 C ATOM 91 CD ARG A 66 -5.625 14.651 -1.895 1.00 0.00 C ATOM 92 NE ARG A 66 -4.315 15.259 -2.111 1.00 0.00 N ATOM 93 CZ ARG A 66 -3.983 15.918 -3.216 1.00 0.00 C ATOM 94 NH1 ARG A 66 -4.862 16.053 -4.199 1.00 0.00 N ATOM 95 NH2 ARG A 66 -2.771 16.443 -3.338 1.00 0.00 N ATOM 0 HA ARG A 66 -6.235 12.567 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.955 13.248 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.285 12.204 -0.725 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.892 14.042 -0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.568 15.087 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.725 13.771 -2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.404 15.352 -2.196 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.616 15.173 -1.373 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.795 15.651 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.606 16.559 -5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.093 16.341 -2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.517 16.949 -4.187 1.00 0.00 H new ATOM 109 N SER A 67 -4.430 10.801 2.835 1.00 0.00 N ATOM 110 CA SER A 67 -3.879 9.490 3.157 1.00 0.00 C ATOM 111 C SER A 67 -4.644 8.847 4.309 1.00 0.00 C ATOM 112 O SER A 67 -5.278 9.535 5.109 1.00 0.00 O ATOM 113 CB SER A 67 -2.397 9.611 3.518 1.00 0.00 C ATOM 114 OG SER A 67 -1.857 8.353 3.885 1.00 0.00 O ATOM 0 H SER A 67 -4.674 11.367 3.648 1.00 0.00 H new ATOM 0 HA SER A 67 -3.981 8.855 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.844 10.014 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.276 10.316 4.340 1.00 0.00 H new ATOM 0 HG SER A 67 -2.275 7.648 3.347 1.00 0.00 H new ATOM 120 N VAL A 68 -4.580 7.521 4.387 1.00 0.00 N ATOM 121 CA VAL A 68 -5.265 6.783 5.441 1.00 0.00 C ATOM 122 C VAL A 68 -4.322 5.801 6.126 1.00 0.00 C ATOM 123 O VAL A 68 -3.394 5.280 5.507 1.00 0.00 O ATOM 124 CB VAL A 68 -6.479 6.013 4.889 1.00 0.00 C ATOM 125 CG1 VAL A 68 -7.495 6.974 4.291 1.00 0.00 C ATOM 126 CG2 VAL A 68 -6.034 4.986 3.858 1.00 0.00 C ATOM 0 H VAL A 68 -4.060 6.936 3.732 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.611 7.517 6.169 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.957 5.484 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.346 6.411 3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.836 7.667 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.032 7.533 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.904 4.451 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.531 5.492 3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.347 4.278 4.322 1.00 0.00 H new ATOM 136 N PHE A 69 -4.566 5.551 7.408 1.00 0.00 N ATOM 137 CA PHE A 69 -3.738 4.630 8.179 1.00 0.00 C ATOM 138 C PHE A 69 -4.298 3.212 8.116 1.00 0.00 C ATOM 139 O PHE A 69 -5.419 2.955 8.555 1.00 0.00 O ATOM 140 CB PHE A 69 -3.647 5.090 9.635 1.00 0.00 C ATOM 141 CG PHE A 69 -2.731 4.246 10.474 1.00 0.00 C ATOM 142 CD1 PHE A 69 -1.367 4.487 10.491 1.00 0.00 C ATOM 143 CD2 PHE A 69 -3.235 3.211 11.247 1.00 0.00 C ATOM 144 CE1 PHE A 69 -0.522 3.711 11.262 1.00 0.00 C ATOM 145 CE2 PHE A 69 -2.394 2.432 12.020 1.00 0.00 C ATOM 146 CZ PHE A 69 -1.036 2.683 12.028 1.00 0.00 C ATOM 0 H PHE A 69 -5.330 5.973 7.935 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.739 4.627 7.743 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.301 6.123 9.660 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.644 5.077 10.075 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.959 5.290 9.895 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.296 3.011 11.245 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.540 3.908 11.265 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.799 1.628 12.617 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.377 2.077 12.632 1.00 0.00 H new ATOM 156 N VAL A 70 -3.509 2.295 7.565 1.00 0.00 N ATOM 157 CA VAL A 70 -3.925 0.902 7.444 1.00 0.00 C ATOM 158 C VAL A 70 -3.080 -0.002 8.334 1.00 0.00 C ATOM 159 O VAL A 70 -1.851 0.027 8.278 1.00 0.00 O ATOM 160 CB VAL A 70 -3.824 0.411 5.988 1.00 0.00 C ATOM 161 CG1 VAL A 70 -4.086 -1.085 5.909 1.00 0.00 C ATOM 162 CG2 VAL A 70 -4.791 1.177 5.099 1.00 0.00 C ATOM 0 H VAL A 70 -2.579 2.491 7.195 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.966 0.853 7.764 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.812 0.598 5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.010 -1.413 4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.350 -1.616 6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.086 -1.300 6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.706 0.817 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.810 1.024 5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.551 2.240 5.131 1.00 0.00 H new ATOM 172 N SER A 71 -3.748 -0.806 9.155 1.00 0.00 N ATOM 173 CA SER A 71 -3.059 -1.718 10.060 1.00 0.00 C ATOM 174 C SER A 71 -3.910 -2.953 10.340 1.00 0.00 C ATOM 175 O SER A 71 -5.108 -2.972 10.059 1.00 0.00 O ATOM 176 CB SER A 71 -2.722 -1.009 11.373 1.00 0.00 C ATOM 177 OG SER A 71 -1.574 -1.578 11.980 1.00 0.00 O ATOM 0 H SER A 71 -4.766 -0.844 9.212 1.00 0.00 H new ATOM 0 HA SER A 71 -2.134 -2.037 9.579 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.550 0.051 11.184 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.570 -1.078 12.055 1.00 0.00 H new ATOM 0 HG SER A 71 -1.120 -2.162 11.337 1.00 0.00 H new ATOM 183 N GLY A 72 -3.282 -3.984 10.896 1.00 0.00 N ATOM 184 CA GLY A 72 -3.996 -5.210 11.205 1.00 0.00 C ATOM 185 C GLY A 72 -4.138 -6.117 9.999 1.00 0.00 C ATOM 186 O GLY A 72 -5.115 -6.857 9.882 1.00 0.00 O ATOM 0 H GLY A 72 -2.291 -3.993 11.138 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.470 -5.743 11.997 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.986 -4.964 11.589 1.00 0.00 H new ATOM 190 N PHE A 73 -3.162 -6.060 9.099 1.00 0.00 N ATOM 191 CA PHE A 73 -3.184 -6.881 7.894 1.00 0.00 C ATOM 192 C PHE A 73 -2.479 -8.214 8.131 1.00 0.00 C ATOM 193 O PHE A 73 -1.482 -8.298 8.848 1.00 0.00 O ATOM 194 CB PHE A 73 -2.520 -6.139 6.733 1.00 0.00 C ATOM 195 CG PHE A 73 -1.250 -5.436 7.119 1.00 0.00 C ATOM 196 CD1 PHE A 73 -0.047 -6.122 7.158 1.00 0.00 C ATOM 197 CD2 PHE A 73 -1.260 -4.089 7.444 1.00 0.00 C ATOM 198 CE1 PHE A 73 1.123 -5.477 7.514 1.00 0.00 C ATOM 199 CE2 PHE A 73 -0.093 -3.439 7.800 1.00 0.00 C ATOM 200 CZ PHE A 73 1.100 -4.134 7.834 1.00 0.00 C ATOM 0 H PHE A 73 -2.346 -5.454 9.181 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.225 -7.081 7.640 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.305 -6.849 5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.222 -5.409 6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.023 -7.172 6.908 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.190 -3.541 7.419 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.054 -6.023 7.542 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.114 -2.389 8.051 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.013 -3.628 8.110 1.00 0.00 H new ATOM 210 N PRO A 74 -3.009 -9.281 7.515 1.00 0.00 N ATOM 211 CA PRO A 74 -2.448 -10.629 7.644 1.00 0.00 C ATOM 212 C PRO A 74 -0.932 -10.643 7.480 1.00 0.00 C ATOM 213 O PRO A 74 -0.353 -9.730 6.892 1.00 0.00 O ATOM 214 CB PRO A 74 -3.116 -11.402 6.504 1.00 0.00 C ATOM 215 CG PRO A 74 -4.416 -10.706 6.286 1.00 0.00 C ATOM 216 CD PRO A 74 -4.198 -9.254 6.646 1.00 0.00 C ATOM 0 HA PRO A 74 -2.632 -11.054 8.631 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.503 -11.387 5.603 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.267 -12.448 6.770 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.738 -10.803 5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.198 -11.145 6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.031 -8.643 5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.062 -8.836 7.163 1.00 0.00 H new ATOM 224 N ARG A 75 -0.295 -11.686 8.003 1.00 0.00 N ATOM 225 CA ARG A 75 1.154 -11.818 7.915 1.00 0.00 C ATOM 226 C ARG A 75 1.582 -12.175 6.494 1.00 0.00 C ATOM 227 O ARG A 75 1.080 -13.131 5.905 1.00 0.00 O ATOM 228 CB ARG A 75 1.651 -12.886 8.891 1.00 0.00 C ATOM 229 CG ARG A 75 1.021 -14.252 8.672 1.00 0.00 C ATOM 230 CD ARG A 75 1.675 -15.313 9.543 1.00 0.00 C ATOM 231 NE ARG A 75 2.868 -15.876 8.917 1.00 0.00 N ATOM 232 CZ ARG A 75 2.832 -16.826 7.989 1.00 0.00 C ATOM 233 NH1 ARG A 75 1.669 -17.316 7.581 1.00 0.00 N ATOM 234 NH2 ARG A 75 3.961 -17.287 7.466 1.00 0.00 N ATOM 0 H ARG A 75 -0.760 -12.451 8.492 1.00 0.00 H new ATOM 0 HA ARG A 75 1.597 -10.858 8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.733 -12.975 8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.444 -12.559 9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.045 -14.202 8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.114 -14.533 7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.942 -14.877 10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.959 -16.111 9.742 1.00 0.00 H new ATOM 0 HE ARG A 75 3.779 -15.521 9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.799 -16.963 7.980 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.645 -18.045 6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.857 -16.912 7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.933 -18.016 6.754 1.00 0.00 H new ATOM 248 N GLY A 76 2.514 -11.398 5.949 1.00 0.00 N ATOM 249 CA GLY A 76 2.993 -11.647 4.602 1.00 0.00 C ATOM 250 C GLY A 76 2.483 -10.624 3.607 1.00 0.00 C ATOM 251 O GLY A 76 3.196 -10.240 2.680 1.00 0.00 O ATOM 0 H GLY A 76 2.945 -10.601 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.083 -11.639 4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.681 -12.643 4.287 1.00 0.00 H new ATOM 255 N VAL A 77 1.244 -10.182 3.797 1.00 0.00 N ATOM 256 CA VAL A 77 0.639 -9.198 2.908 1.00 0.00 C ATOM 257 C VAL A 77 1.674 -8.196 2.411 1.00 0.00 C ATOM 258 O VAL A 77 2.367 -7.558 3.204 1.00 0.00 O ATOM 259 CB VAL A 77 -0.502 -8.436 3.608 1.00 0.00 C ATOM 260 CG1 VAL A 77 -1.031 -7.325 2.713 1.00 0.00 C ATOM 261 CG2 VAL A 77 -1.618 -9.391 4.002 1.00 0.00 C ATOM 0 H VAL A 77 0.640 -10.490 4.559 1.00 0.00 H new ATOM 0 HA VAL A 77 0.232 -9.747 2.059 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.107 -7.981 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.836 -6.798 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.226 -6.626 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.410 -7.754 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.415 -8.835 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.013 -9.877 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.227 -10.146 4.684 1.00 0.00 H new ATOM 271 N ASP A 78 1.775 -8.063 1.093 1.00 0.00 N ATOM 272 CA ASP A 78 2.726 -7.136 0.488 1.00 0.00 C ATOM 273 C ASP A 78 2.015 -5.892 -0.034 1.00 0.00 C ATOM 274 O ASP A 78 0.786 -5.824 -0.041 1.00 0.00 O ATOM 275 CB ASP A 78 3.484 -7.821 -0.650 1.00 0.00 C ATOM 276 CG ASP A 78 4.600 -8.716 -0.147 1.00 0.00 C ATOM 277 OD1 ASP A 78 5.107 -8.463 0.966 1.00 0.00 O ATOM 278 OD2 ASP A 78 4.965 -9.669 -0.866 1.00 0.00 O ATOM 0 H ASP A 78 1.210 -8.585 0.423 1.00 0.00 H new ATOM 0 HA ASP A 78 3.437 -6.831 1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.786 -8.413 -1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.901 -7.063 -1.313 1.00 0.00 H new ATOM 283 N SER A 79 2.797 -4.909 -0.469 1.00 0.00 N ATOM 284 CA SER A 79 2.242 -3.664 -0.988 1.00 0.00 C ATOM 285 C SER A 79 1.368 -3.927 -2.211 1.00 0.00 C ATOM 286 O SER A 79 0.299 -3.336 -2.362 1.00 0.00 O ATOM 287 CB SER A 79 3.367 -2.692 -1.351 1.00 0.00 C ATOM 288 OG SER A 79 4.125 -3.175 -2.446 1.00 0.00 O ATOM 0 H SER A 79 3.816 -4.950 -0.472 1.00 0.00 H new ATOM 0 HA SER A 79 1.623 -3.218 -0.209 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.945 -1.718 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.019 -2.547 -0.489 1.00 0.00 H new ATOM 0 HG SER A 79 4.836 -2.535 -2.659 1.00 0.00 H new ATOM 294 N ALA A 80 1.832 -4.818 -3.081 1.00 0.00 N ATOM 295 CA ALA A 80 1.093 -5.161 -4.290 1.00 0.00 C ATOM 296 C ALA A 80 -0.357 -5.505 -3.967 1.00 0.00 C ATOM 297 O ALA A 80 -1.282 -4.870 -4.474 1.00 0.00 O ATOM 298 CB ALA A 80 1.765 -6.322 -5.008 1.00 0.00 C ATOM 0 H ALA A 80 2.716 -5.315 -2.971 1.00 0.00 H new ATOM 0 HA ALA A 80 1.096 -4.291 -4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.202 -6.567 -5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.782 -6.041 -5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.792 -7.190 -4.350 1.00 0.00 H new ATOM 304 N GLN A 81 -0.548 -6.514 -3.122 1.00 0.00 N ATOM 305 CA GLN A 81 -1.887 -6.942 -2.734 1.00 0.00 C ATOM 306 C GLN A 81 -2.687 -5.776 -2.163 1.00 0.00 C ATOM 307 O GLN A 81 -3.771 -5.454 -2.652 1.00 0.00 O ATOM 308 CB GLN A 81 -1.806 -8.072 -1.707 1.00 0.00 C ATOM 309 CG GLN A 81 -1.020 -9.280 -2.192 1.00 0.00 C ATOM 310 CD GLN A 81 -1.098 -10.450 -1.231 1.00 0.00 C ATOM 311 OE1 GLN A 81 -1.805 -10.396 -0.225 1.00 0.00 O ATOM 312 NE2 GLN A 81 -0.369 -11.517 -1.538 1.00 0.00 N ATOM 0 H GLN A 81 0.207 -7.050 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.397 -7.307 -3.625 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.345 -7.691 -0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.816 -8.387 -1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.400 -9.589 -3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.024 -8.998 -2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.203 -11.518 -2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.381 -12.335 -0.929 1.00 0.00 H new ATOM 321 N LEU A 82 -2.147 -5.146 -1.126 1.00 0.00 N ATOM 322 CA LEU A 82 -2.810 -4.015 -0.487 1.00 0.00 C ATOM 323 C LEU A 82 -3.293 -3.008 -1.527 1.00 0.00 C ATOM 324 O LEU A 82 -4.478 -2.680 -1.585 1.00 0.00 O ATOM 325 CB LEU A 82 -1.861 -3.331 0.499 1.00 0.00 C ATOM 326 CG LEU A 82 -1.709 -4.007 1.861 1.00 0.00 C ATOM 327 CD1 LEU A 82 -0.532 -3.415 2.622 1.00 0.00 C ATOM 328 CD2 LEU A 82 -2.991 -3.873 2.670 1.00 0.00 C ATOM 0 H LEU A 82 -1.251 -5.399 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.676 -4.394 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.876 -3.263 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.209 -2.310 0.659 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.515 -5.067 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.439 -3.908 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.383 -3.564 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.696 -2.348 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.864 -4.360 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.216 -2.818 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.812 -4.345 2.131 1.00 0.00 H new ATOM 340 N SER A 83 -2.367 -2.524 -2.348 1.00 0.00 N ATOM 341 CA SER A 83 -2.697 -1.553 -3.386 1.00 0.00 C ATOM 342 C SER A 83 -3.820 -2.074 -4.279 1.00 0.00 C ATOM 343 O SER A 83 -4.820 -1.392 -4.496 1.00 0.00 O ATOM 344 CB SER A 83 -1.462 -1.238 -4.231 1.00 0.00 C ATOM 345 OG SER A 83 -1.761 -0.286 -5.237 1.00 0.00 O ATOM 0 H SER A 83 -1.382 -2.788 -2.315 1.00 0.00 H new ATOM 0 HA SER A 83 -3.037 -0.639 -2.899 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.667 -0.857 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.089 -2.153 -4.691 1.00 0.00 H new ATOM 0 HG SER A 83 -0.955 -0.101 -5.762 1.00 0.00 H new ATOM 351 N GLU A 84 -3.644 -3.287 -4.793 1.00 0.00 N ATOM 352 CA GLU A 84 -4.641 -3.899 -5.663 1.00 0.00 C ATOM 353 C GLU A 84 -6.013 -3.910 -4.995 1.00 0.00 C ATOM 354 O GLU A 84 -7.027 -3.617 -5.629 1.00 0.00 O ATOM 355 CB GLU A 84 -4.227 -5.327 -6.026 1.00 0.00 C ATOM 356 CG GLU A 84 -4.815 -5.817 -7.338 1.00 0.00 C ATOM 357 CD GLU A 84 -5.022 -7.319 -7.360 1.00 0.00 C ATOM 358 OE1 GLU A 84 -5.915 -7.805 -6.635 1.00 0.00 O ATOM 359 OE2 GLU A 84 -4.290 -8.008 -8.101 1.00 0.00 O ATOM 0 H GLU A 84 -2.821 -3.865 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.704 -3.304 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.140 -5.377 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.535 -6.000 -5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.769 -5.320 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.154 -5.533 -8.157 1.00 0.00 H new ATOM 366 N TYR A 85 -6.036 -4.251 -3.711 1.00 0.00 N ATOM 367 CA TYR A 85 -7.283 -4.303 -2.957 1.00 0.00 C ATOM 368 C TYR A 85 -7.842 -2.902 -2.730 1.00 0.00 C ATOM 369 O TYR A 85 -9.054 -2.714 -2.625 1.00 0.00 O ATOM 370 CB TYR A 85 -7.062 -5.000 -1.614 1.00 0.00 C ATOM 371 CG TYR A 85 -8.137 -4.704 -0.593 1.00 0.00 C ATOM 372 CD1 TYR A 85 -9.436 -5.166 -0.769 1.00 0.00 C ATOM 373 CD2 TYR A 85 -7.855 -3.963 0.547 1.00 0.00 C ATOM 374 CE1 TYR A 85 -10.422 -4.896 0.160 1.00 0.00 C ATOM 375 CE2 TYR A 85 -8.834 -3.690 1.483 1.00 0.00 C ATOM 376 CZ TYR A 85 -10.116 -4.158 1.284 1.00 0.00 C ATOM 377 OH TYR A 85 -11.095 -3.889 2.213 1.00 0.00 O ATOM 0 H TYR A 85 -5.206 -4.495 -3.171 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.007 -4.873 -3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.014 -6.077 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.096 -4.695 -1.211 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.679 -5.746 -1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.853 -3.593 0.705 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.427 -5.261 0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.597 -3.114 2.365 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.715 -3.360 2.945 1.00 0.00 H new ATOM 387 N PHE A 86 -6.948 -1.921 -2.656 1.00 0.00 N ATOM 388 CA PHE A 86 -7.350 -0.536 -2.441 1.00 0.00 C ATOM 389 C PHE A 86 -7.792 0.112 -3.750 1.00 0.00 C ATOM 390 O PHE A 86 -8.552 1.082 -3.751 1.00 0.00 O ATOM 391 CB PHE A 86 -6.198 0.263 -1.828 1.00 0.00 C ATOM 392 CG PHE A 86 -6.012 0.014 -0.358 1.00 0.00 C ATOM 393 CD1 PHE A 86 -7.035 0.277 0.538 1.00 0.00 C ATOM 394 CD2 PHE A 86 -4.813 -0.484 0.127 1.00 0.00 C ATOM 395 CE1 PHE A 86 -6.866 0.049 1.891 1.00 0.00 C ATOM 396 CE2 PHE A 86 -4.639 -0.715 1.478 1.00 0.00 C ATOM 397 CZ PHE A 86 -5.666 -0.447 2.361 1.00 0.00 C ATOM 0 H PHE A 86 -5.941 -2.060 -2.742 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.194 -0.533 -1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.275 0.013 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.378 1.326 -1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.976 0.665 0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.006 -0.694 -0.559 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -7.671 0.259 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.700 -1.105 1.843 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.531 -0.625 3.418 1.00 0.00 H new ATOM 407 N LEU A 87 -7.312 -0.431 -4.863 1.00 0.00 N ATOM 408 CA LEU A 87 -7.656 0.093 -6.180 1.00 0.00 C ATOM 409 C LEU A 87 -9.154 -0.029 -6.441 1.00 0.00 C ATOM 410 O LEU A 87 -9.718 0.716 -7.241 1.00 0.00 O ATOM 411 CB LEU A 87 -6.875 -0.649 -7.266 1.00 0.00 C ATOM 412 CG LEU A 87 -5.428 -0.203 -7.477 1.00 0.00 C ATOM 413 CD1 LEU A 87 -4.784 -0.994 -8.605 1.00 0.00 C ATOM 414 CD2 LEU A 87 -5.367 1.289 -7.766 1.00 0.00 C ATOM 0 H LEU A 87 -6.683 -1.234 -4.880 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.387 1.149 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.875 -1.712 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.409 -0.538 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.871 -0.398 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.755 -0.662 -8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.794 -2.055 -8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.342 -0.832 -9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.330 1.589 -7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.940 1.509 -8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.788 1.840 -6.925 1.00 0.00 H new ATOM 426 N ALA A 88 -9.793 -0.973 -5.757 1.00 0.00 N ATOM 427 CA ALA A 88 -11.226 -1.191 -5.911 1.00 0.00 C ATOM 428 C ALA A 88 -12.016 0.050 -5.508 1.00 0.00 C ATOM 429 O ALA A 88 -13.155 0.239 -5.935 1.00 0.00 O ATOM 430 CB ALA A 88 -11.669 -2.392 -5.089 1.00 0.00 C ATOM 0 H ALA A 88 -9.340 -1.599 -5.091 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.427 -1.392 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.741 -2.543 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.136 -3.281 -5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.448 -2.214 -4.037 1.00 0.00 H new ATOM 436 N PHE A 89 -11.404 0.892 -4.682 1.00 0.00 N ATOM 437 CA PHE A 89 -12.051 2.114 -4.219 1.00 0.00 C ATOM 438 C PHE A 89 -11.368 3.347 -4.805 1.00 0.00 C ATOM 439 O PHE A 89 -12.023 4.334 -5.138 1.00 0.00 O ATOM 440 CB PHE A 89 -12.026 2.182 -2.691 1.00 0.00 C ATOM 441 CG PHE A 89 -12.677 1.002 -2.028 1.00 0.00 C ATOM 442 CD1 PHE A 89 -11.941 -0.131 -1.722 1.00 0.00 C ATOM 443 CD2 PHE A 89 -14.026 1.026 -1.711 1.00 0.00 C ATOM 444 CE1 PHE A 89 -12.537 -1.218 -1.111 1.00 0.00 C ATOM 445 CE2 PHE A 89 -14.627 -0.059 -1.101 1.00 0.00 C ATOM 446 CZ PHE A 89 -13.882 -1.183 -0.801 1.00 0.00 C ATOM 0 H PHE A 89 -10.461 0.751 -4.320 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.087 2.098 -4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -10.991 2.252 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.529 3.093 -2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.889 -0.165 -1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.614 1.902 -1.943 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -11.951 -2.094 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -15.679 -0.028 -0.859 1.00 0.00 H new ATOM 0 HZ PHE A 89 -14.350 -2.032 -0.325 1.00 0.00 H new ATOM 456 N GLY A 90 -10.046 3.282 -4.928 1.00 0.00 N ATOM 457 CA GLY A 90 -9.295 4.398 -5.472 1.00 0.00 C ATOM 458 C GLY A 90 -7.827 4.072 -5.662 1.00 0.00 C ATOM 459 O GLY A 90 -7.321 3.070 -5.157 1.00 0.00 O ATOM 0 H GLY A 90 -9.481 2.476 -4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.726 4.689 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.390 5.255 -4.806 1.00 0.00 H new ATOM 463 N PRO A 91 -7.118 4.932 -6.409 1.00 0.00 N ATOM 464 CA PRO A 91 -5.689 4.751 -6.682 1.00 0.00 C ATOM 465 C PRO A 91 -4.824 5.035 -5.459 1.00 0.00 C ATOM 466 O PRO A 91 -4.902 6.112 -4.868 1.00 0.00 O ATOM 467 CB PRO A 91 -5.407 5.773 -7.786 1.00 0.00 C ATOM 468 CG PRO A 91 -6.425 6.841 -7.583 1.00 0.00 C ATOM 469 CD PRO A 91 -7.656 6.147 -7.042 1.00 0.00 C ATOM 0 HA PRO A 91 -5.455 3.724 -6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.395 6.171 -7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.497 5.323 -8.775 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.064 7.596 -6.885 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.646 7.353 -8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.186 6.772 -6.323 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.362 5.906 -7.837 1.00 0.00 H new ATOM 477 N VAL A 92 -3.999 4.063 -5.085 1.00 0.00 N ATOM 478 CA VAL A 92 -3.117 4.210 -3.933 1.00 0.00 C ATOM 479 C VAL A 92 -1.814 4.898 -4.322 1.00 0.00 C ATOM 480 O VAL A 92 -0.963 4.308 -4.987 1.00 0.00 O ATOM 481 CB VAL A 92 -2.794 2.845 -3.296 1.00 0.00 C ATOM 482 CG1 VAL A 92 -1.739 2.998 -2.211 1.00 0.00 C ATOM 483 CG2 VAL A 92 -4.056 2.206 -2.737 1.00 0.00 C ATOM 0 H VAL A 92 -3.923 3.165 -5.563 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.646 4.826 -3.206 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.394 2.189 -4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.524 2.023 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.828 3.410 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.108 3.671 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.809 1.243 -2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.488 2.858 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.777 2.059 -3.542 1.00 0.00 H new ATOM 493 N ALA A 93 -1.665 6.151 -3.903 1.00 0.00 N ATOM 494 CA ALA A 93 -0.464 6.919 -4.205 1.00 0.00 C ATOM 495 C ALA A 93 0.794 6.137 -3.844 1.00 0.00 C ATOM 496 O ALA A 93 1.747 6.082 -4.622 1.00 0.00 O ATOM 497 CB ALA A 93 -0.490 8.250 -3.468 1.00 0.00 C ATOM 0 H ALA A 93 -2.361 6.655 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.445 7.110 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.413 8.814 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.365 8.821 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.537 8.070 -2.394 1.00 0.00 H new ATOM 503 N SER A 94 0.791 5.534 -2.660 1.00 0.00 N ATOM 504 CA SER A 94 1.935 4.758 -2.194 1.00 0.00 C ATOM 505 C SER A 94 1.614 4.054 -0.879 1.00 0.00 C ATOM 506 O SER A 94 0.709 4.459 -0.150 1.00 0.00 O ATOM 507 CB SER A 94 3.154 5.664 -2.017 1.00 0.00 C ATOM 508 OG SER A 94 4.354 4.910 -2.013 1.00 0.00 O ATOM 0 H SER A 94 0.009 5.568 -2.005 1.00 0.00 H new ATOM 0 HA SER A 94 2.160 4.001 -2.945 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.185 6.398 -2.822 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.066 6.219 -1.083 1.00 0.00 H new ATOM 0 HG SER A 94 5.119 5.513 -1.900 1.00 0.00 H new ATOM 514 N VAL A 95 2.364 2.997 -0.583 1.00 0.00 N ATOM 515 CA VAL A 95 2.162 2.237 0.645 1.00 0.00 C ATOM 516 C VAL A 95 3.438 2.187 1.477 1.00 0.00 C ATOM 517 O VAL A 95 4.337 1.389 1.209 1.00 0.00 O ATOM 518 CB VAL A 95 1.702 0.798 0.344 1.00 0.00 C ATOM 519 CG1 VAL A 95 1.535 0.010 1.634 1.00 0.00 C ATOM 520 CG2 VAL A 95 0.408 0.809 -0.456 1.00 0.00 C ATOM 0 H VAL A 95 3.117 2.648 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 95 1.384 2.749 1.210 1.00 0.00 H new ATOM 0 HB VAL A 95 2.469 0.308 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.210 -1.004 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.487 -0.027 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.789 0.495 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.098 -0.216 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.369 1.317 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.567 1.334 -1.398 1.00 0.00 H new ATOM 530 N VAL A 96 3.512 3.046 2.489 1.00 0.00 N ATOM 531 CA VAL A 96 4.678 3.099 3.363 1.00 0.00 C ATOM 532 C VAL A 96 4.534 2.131 4.532 1.00 0.00 C ATOM 533 O VAL A 96 3.850 2.424 5.512 1.00 0.00 O ATOM 534 CB VAL A 96 4.903 4.521 3.912 1.00 0.00 C ATOM 535 CG1 VAL A 96 6.076 4.540 4.880 1.00 0.00 C ATOM 536 CG2 VAL A 96 5.125 5.503 2.772 1.00 0.00 C ATOM 0 H VAL A 96 2.778 3.715 2.724 1.00 0.00 H new ATOM 0 HA VAL A 96 5.539 2.809 2.760 1.00 0.00 H new ATOM 0 HB VAL A 96 4.010 4.828 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.220 5.552 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.871 3.868 5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.979 4.213 4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.282 6.502 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.002 5.202 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.250 5.509 2.122 1.00 0.00 H new ATOM 546 N MET A 97 5.184 0.977 4.421 1.00 0.00 N ATOM 547 CA MET A 97 5.129 -0.034 5.470 1.00 0.00 C ATOM 548 C MET A 97 6.325 0.091 6.409 1.00 0.00 C ATOM 549 O MET A 97 7.457 0.286 5.964 1.00 0.00 O ATOM 550 CB MET A 97 5.092 -1.435 4.856 1.00 0.00 C ATOM 551 CG MET A 97 3.935 -1.646 3.894 1.00 0.00 C ATOM 552 SD MET A 97 4.123 -3.138 2.899 1.00 0.00 S ATOM 553 CE MET A 97 3.376 -4.359 3.974 1.00 0.00 C ATOM 0 H MET A 97 5.754 0.719 3.616 1.00 0.00 H new ATOM 0 HA MET A 97 4.218 0.126 6.047 1.00 0.00 H new ATOM 0 HB2 MET A 97 6.029 -1.617 4.330 1.00 0.00 H new ATOM 0 HB3 MET A 97 5.027 -2.172 5.656 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.004 -1.705 4.458 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.854 -0.782 3.235 1.00 0.00 H new ATOM 0 HE1 MET A 97 3.602 -5.358 3.602 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.775 -4.249 4.982 1.00 0.00 H new ATOM 0 HE3 MET A 97 2.296 -4.215 3.993 1.00 0.00 H new ATOM 563 N ASP A 98 6.067 -0.021 7.707 1.00 0.00 N ATOM 564 CA ASP A 98 7.123 0.079 8.708 1.00 0.00 C ATOM 565 C ASP A 98 8.235 -0.927 8.427 1.00 0.00 C ATOM 566 O ASP A 98 8.013 -1.948 7.776 1.00 0.00 O ATOM 567 CB ASP A 98 6.551 -0.151 10.108 1.00 0.00 C ATOM 568 CG ASP A 98 7.387 0.505 11.189 1.00 0.00 C ATOM 569 OD1 ASP A 98 8.008 1.551 10.906 1.00 0.00 O ATOM 570 OD2 ASP A 98 7.422 -0.029 12.318 1.00 0.00 O ATOM 0 H ASP A 98 5.136 -0.181 8.091 1.00 0.00 H new ATOM 0 HA ASP A 98 7.545 1.083 8.657 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.535 0.240 10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.489 -1.222 10.301 1.00 0.00 H new ATOM 575 N LYS A 99 9.432 -0.632 8.923 1.00 0.00 N ATOM 576 CA LYS A 99 10.579 -1.510 8.727 1.00 0.00 C ATOM 577 C LYS A 99 11.000 -2.158 10.042 1.00 0.00 C ATOM 578 O LYS A 99 11.432 -3.310 10.066 1.00 0.00 O ATOM 579 CB LYS A 99 11.752 -0.725 8.134 1.00 0.00 C ATOM 580 CG LYS A 99 12.187 0.454 8.987 1.00 0.00 C ATOM 581 CD LYS A 99 13.378 1.174 8.377 1.00 0.00 C ATOM 582 CE LYS A 99 13.494 2.599 8.895 1.00 0.00 C ATOM 583 NZ LYS A 99 14.525 3.377 8.155 1.00 0.00 N ATOM 0 H LYS A 99 9.633 0.209 9.464 1.00 0.00 H new ATOM 0 HA LYS A 99 10.288 -2.297 8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.599 -1.398 8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.473 -0.364 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.356 1.151 9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 99 12.445 0.105 9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.292 0.627 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.279 1.187 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.529 3.098 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.745 2.580 9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.573 4.343 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.451 2.916 8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.272 3.417 7.147 1.00 0.00 H new ATOM 597 N ASP A 100 10.868 -1.411 11.132 1.00 0.00 N ATOM 598 CA ASP A 100 11.232 -1.914 12.452 1.00 0.00 C ATOM 599 C ASP A 100 10.638 -3.299 12.689 1.00 0.00 C ATOM 600 O ASP A 100 11.363 -4.269 12.908 1.00 0.00 O ATOM 601 CB ASP A 100 10.757 -0.948 13.538 1.00 0.00 C ATOM 602 CG ASP A 100 11.664 0.258 13.678 1.00 0.00 C ATOM 603 OD1 ASP A 100 12.882 0.115 13.444 1.00 0.00 O ATOM 604 OD2 ASP A 100 11.155 1.346 14.020 1.00 0.00 O ATOM 0 H ASP A 100 10.512 -0.455 11.128 1.00 0.00 H new ATOM 0 HA ASP A 100 12.318 -1.993 12.497 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.746 -0.613 13.305 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.707 -1.474 14.491 1.00 0.00 H new ATOM 609 N LYS A 101 9.312 -3.383 12.645 1.00 0.00 N ATOM 610 CA LYS A 101 8.618 -4.648 12.854 1.00 0.00 C ATOM 611 C LYS A 101 7.689 -4.959 11.685 1.00 0.00 C ATOM 612 O LYS A 101 7.680 -6.075 11.167 1.00 0.00 O ATOM 613 CB LYS A 101 7.818 -4.605 14.158 1.00 0.00 C ATOM 614 CG LYS A 101 8.667 -4.812 15.400 1.00 0.00 C ATOM 615 CD LYS A 101 7.824 -5.255 16.584 1.00 0.00 C ATOM 616 CE LYS A 101 8.611 -5.190 17.884 1.00 0.00 C ATOM 617 NZ LYS A 101 9.752 -6.146 17.890 1.00 0.00 N ATOM 0 H LYS A 101 8.697 -2.589 12.466 1.00 0.00 H new ATOM 0 HA LYS A 101 9.366 -5.438 12.920 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.310 -3.643 14.231 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.044 -5.372 14.125 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.433 -5.560 15.197 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.184 -3.885 15.647 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.940 -4.621 16.660 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.472 -6.274 16.421 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.985 -4.177 18.032 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.948 -5.410 18.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.232 -6.108 18.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.398 -7.110 17.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.424 -5.889 17.139 1.00 0.00 H new ATOM 631 N GLY A 102 6.910 -3.964 11.273 1.00 0.00 N ATOM 632 CA GLY A 102 5.989 -4.151 10.167 1.00 0.00 C ATOM 633 C GLY A 102 4.595 -4.525 10.630 1.00 0.00 C ATOM 634 O GLY A 102 4.045 -5.544 10.210 1.00 0.00 O ATOM 0 H GLY A 102 6.900 -3.031 11.685 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.940 -3.234 9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.371 -4.931 9.508 1.00 0.00 H new ATOM 638 N VAL A 103 4.021 -3.701 11.500 1.00 0.00 N ATOM 639 CA VAL A 103 2.682 -3.950 12.022 1.00 0.00 C ATOM 640 C VAL A 103 1.704 -2.875 11.561 1.00 0.00 C ATOM 641 O VAL A 103 0.542 -2.864 11.967 1.00 0.00 O ATOM 642 CB VAL A 103 2.681 -4.005 13.561 1.00 0.00 C ATOM 643 CG1 VAL A 103 3.404 -5.250 14.052 1.00 0.00 C ATOM 644 CG2 VAL A 103 3.313 -2.748 14.139 1.00 0.00 C ATOM 0 H VAL A 103 4.462 -2.854 11.859 1.00 0.00 H new ATOM 0 HA VAL A 103 2.364 -4.917 11.632 1.00 0.00 H new ATOM 0 HB VAL A 103 1.648 -4.056 13.905 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.393 -5.271 15.142 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.903 -6.138 13.667 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.435 -5.234 13.700 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.304 -2.804 15.228 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.342 -2.664 13.789 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.747 -1.874 13.816 1.00 0.00 H new ATOM 654 N PHE A 104 2.182 -1.973 10.711 1.00 0.00 N ATOM 655 CA PHE A 104 1.350 -0.892 10.195 1.00 0.00 C ATOM 656 C PHE A 104 1.924 -0.338 8.894 1.00 0.00 C ATOM 657 O PHE A 104 3.059 -0.638 8.526 1.00 0.00 O ATOM 658 CB PHE A 104 1.230 0.227 11.231 1.00 0.00 C ATOM 659 CG PHE A 104 2.451 1.097 11.317 1.00 0.00 C ATOM 660 CD1 PHE A 104 2.619 2.167 10.453 1.00 0.00 C ATOM 661 CD2 PHE A 104 3.433 0.844 12.262 1.00 0.00 C ATOM 662 CE1 PHE A 104 3.741 2.970 10.530 1.00 0.00 C ATOM 663 CE2 PHE A 104 4.557 1.644 12.344 1.00 0.00 C ATOM 664 CZ PHE A 104 4.712 2.707 11.476 1.00 0.00 C ATOM 0 H PHE A 104 3.141 -1.969 10.365 1.00 0.00 H new ATOM 0 HA PHE A 104 0.358 -1.296 9.991 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.368 0.847 10.986 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.038 -0.213 12.209 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.864 2.376 9.710 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.319 0.013 12.942 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.858 3.802 9.851 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.314 1.438 13.086 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.591 3.331 11.537 1.00 0.00 H new ATOM 674 N ALA A 105 1.129 0.473 8.202 1.00 0.00 N ATOM 675 CA ALA A 105 1.557 1.071 6.944 1.00 0.00 C ATOM 676 C ALA A 105 0.636 2.216 6.539 1.00 0.00 C ATOM 677 O ALA A 105 -0.587 2.103 6.629 1.00 0.00 O ATOM 678 CB ALA A 105 1.605 0.016 5.848 1.00 0.00 C ATOM 0 H ALA A 105 0.186 0.730 8.492 1.00 0.00 H new ATOM 0 HA ALA A 105 2.558 1.478 7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.926 0.476 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.310 -0.767 6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.614 -0.418 5.717 1.00 0.00 H new ATOM 684 N ILE A 106 1.230 3.318 6.094 1.00 0.00 N ATOM 685 CA ILE A 106 0.462 4.484 5.675 1.00 0.00 C ATOM 686 C ILE A 106 0.079 4.389 4.202 1.00 0.00 C ATOM 687 O ILE A 106 0.923 4.539 3.319 1.00 0.00 O ATOM 688 CB ILE A 106 1.247 5.789 5.907 1.00 0.00 C ATOM 689 CG1 ILE A 106 1.770 5.846 7.344 1.00 0.00 C ATOM 690 CG2 ILE A 106 0.369 6.995 5.609 1.00 0.00 C ATOM 691 CD1 ILE A 106 0.718 6.249 8.354 1.00 0.00 C ATOM 0 H ILE A 106 2.241 3.428 6.014 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.442 4.501 6.283 1.00 0.00 H new ATOM 0 HB ILE A 106 2.100 5.809 5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.168 4.868 7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.599 6.552 7.393 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.938 7.910 5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.040 6.958 4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.501 6.983 6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.159 6.268 9.351 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.337 7.240 8.107 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.101 5.530 8.334 1.00 0.00 H new ATOM 703 N VAL A 107 -1.202 4.142 3.944 1.00 0.00 N ATOM 704 CA VAL A 107 -1.699 4.031 2.578 1.00 0.00 C ATOM 705 C VAL A 107 -2.192 5.378 2.061 1.00 0.00 C ATOM 706 O VAL A 107 -3.141 5.948 2.598 1.00 0.00 O ATOM 707 CB VAL A 107 -2.842 3.004 2.479 1.00 0.00 C ATOM 708 CG1 VAL A 107 -3.502 3.071 1.110 1.00 0.00 C ATOM 709 CG2 VAL A 107 -2.326 1.602 2.763 1.00 0.00 C ATOM 0 H VAL A 107 -1.914 4.015 4.663 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.864 3.694 1.963 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.592 3.248 3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.307 2.338 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.909 4.070 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.763 2.853 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.148 0.890 2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.555 1.344 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.905 1.566 3.768 1.00 0.00 H new ATOM 719 N GLU A 108 -1.542 5.879 1.016 1.00 0.00 N ATOM 720 CA GLU A 108 -1.916 7.160 0.427 1.00 0.00 C ATOM 721 C GLU A 108 -2.870 6.961 -0.747 1.00 0.00 C ATOM 722 O GLU A 108 -2.971 5.865 -1.299 1.00 0.00 O ATOM 723 CB GLU A 108 -0.669 7.916 -0.037 1.00 0.00 C ATOM 724 CG GLU A 108 0.231 8.363 1.103 1.00 0.00 C ATOM 725 CD GLU A 108 1.397 9.208 0.629 1.00 0.00 C ATOM 726 OE1 GLU A 108 1.994 8.866 -0.413 1.00 0.00 O ATOM 727 OE2 GLU A 108 1.711 10.214 1.300 1.00 0.00 O ATOM 0 H GLU A 108 -0.755 5.418 0.560 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.425 7.748 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.098 7.278 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.977 8.791 -0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.357 8.933 1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.612 7.486 1.626 1.00 0.00 H new ATOM 734 N MET A 109 -3.567 8.028 -1.123 1.00 0.00 N ATOM 735 CA MET A 109 -4.512 7.971 -2.232 1.00 0.00 C ATOM 736 C MET A 109 -4.197 9.043 -3.270 1.00 0.00 C ATOM 737 O MET A 109 -3.628 10.085 -2.948 1.00 0.00 O ATOM 738 CB MET A 109 -5.943 8.145 -1.720 1.00 0.00 C ATOM 739 CG MET A 109 -6.396 7.032 -0.789 1.00 0.00 C ATOM 740 SD MET A 109 -6.180 5.393 -1.510 1.00 0.00 S ATOM 741 CE MET A 109 -7.810 5.107 -2.194 1.00 0.00 C ATOM 0 H MET A 109 -3.495 8.942 -0.676 1.00 0.00 H new ATOM 0 HA MET A 109 -4.420 6.994 -2.706 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.019 9.098 -1.197 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.621 8.193 -2.572 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.834 7.092 0.143 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.446 7.179 -0.538 1.00 0.00 H new ATOM 0 HE1 MET A 109 -8.011 4.036 -2.220 1.00 0.00 H new ATOM 0 HE2 MET A 109 -8.557 5.602 -1.573 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.856 5.509 -3.206 1.00 0.00 H new ATOM 751 N GLY A 110 -4.571 8.780 -4.519 1.00 0.00 N ATOM 752 CA GLY A 110 -4.319 9.732 -5.585 1.00 0.00 C ATOM 753 C GLY A 110 -4.932 11.090 -5.306 1.00 0.00 C ATOM 754 O GLY A 110 -4.226 12.096 -5.243 1.00 0.00 O ATOM 0 H GLY A 110 -5.044 7.925 -4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.243 9.843 -5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -4.720 9.341 -6.520 1.00 0.00 H new ATOM 758 N ASP A 111 -6.250 11.120 -5.141 1.00 0.00 N ATOM 759 CA ASP A 111 -6.958 12.365 -4.868 1.00 0.00 C ATOM 760 C ASP A 111 -7.729 12.275 -3.555 1.00 0.00 C ATOM 761 O ASP A 111 -7.805 11.212 -2.939 1.00 0.00 O ATOM 762 CB ASP A 111 -7.916 12.694 -6.015 1.00 0.00 C ATOM 763 CG ASP A 111 -8.927 11.591 -6.259 1.00 0.00 C ATOM 764 OD1 ASP A 111 -9.953 11.560 -5.548 1.00 0.00 O ATOM 765 OD2 ASP A 111 -8.692 10.758 -7.159 1.00 0.00 O ATOM 0 H ASP A 111 -6.849 10.296 -5.192 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.220 13.162 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.442 13.622 -5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -7.342 12.865 -6.926 1.00 0.00 H new ATOM 770 N VAL A 112 -8.299 13.399 -3.131 1.00 0.00 N ATOM 771 CA VAL A 112 -9.064 13.447 -1.891 1.00 0.00 C ATOM 772 C VAL A 112 -10.346 12.630 -2.004 1.00 0.00 C ATOM 773 O VAL A 112 -10.700 11.882 -1.094 1.00 0.00 O ATOM 774 CB VAL A 112 -9.423 14.896 -1.509 1.00 0.00 C ATOM 775 CG1 VAL A 112 -10.249 15.548 -2.608 1.00 0.00 C ATOM 776 CG2 VAL A 112 -10.166 14.928 -0.182 1.00 0.00 C ATOM 0 H VAL A 112 -8.245 14.288 -3.628 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.432 13.020 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.499 15.464 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.493 16.571 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.677 15.558 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.169 14.983 -2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.412 15.959 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.084 14.346 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.535 14.502 0.598 1.00 0.00 H new ATOM 786 N GLY A 113 -11.040 12.779 -3.129 1.00 0.00 N ATOM 787 CA GLY A 113 -12.275 12.049 -3.341 1.00 0.00 C ATOM 788 C GLY A 113 -12.113 10.558 -3.120 1.00 0.00 C ATOM 789 O GLY A 113 -13.015 9.898 -2.605 1.00 0.00 O ATOM 0 H GLY A 113 -10.768 13.393 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.040 12.432 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.628 12.226 -4.357 1.00 0.00 H new ATOM 793 N ALA A 114 -10.959 10.026 -3.511 1.00 0.00 N ATOM 794 CA ALA A 114 -10.682 8.604 -3.352 1.00 0.00 C ATOM 795 C ALA A 114 -10.623 8.217 -1.878 1.00 0.00 C ATOM 796 O ALA A 114 -11.099 7.151 -1.487 1.00 0.00 O ATOM 797 CB ALA A 114 -9.378 8.240 -4.047 1.00 0.00 C ATOM 0 H ALA A 114 -10.202 10.558 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.497 8.047 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.183 7.175 -3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.455 8.471 -5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.560 8.813 -3.610 1.00 0.00 H new ATOM 803 N ARG A 115 -10.037 9.090 -1.065 1.00 0.00 N ATOM 804 CA ARG A 115 -9.915 8.838 0.366 1.00 0.00 C ATOM 805 C ARG A 115 -11.282 8.875 1.043 1.00 0.00 C ATOM 806 O ARG A 115 -11.540 8.124 1.983 1.00 0.00 O ATOM 807 CB ARG A 115 -8.987 9.870 1.010 1.00 0.00 C ATOM 808 CG ARG A 115 -8.993 9.830 2.529 1.00 0.00 C ATOM 809 CD ARG A 115 -8.553 11.159 3.123 1.00 0.00 C ATOM 810 NE ARG A 115 -9.588 12.181 3.004 1.00 0.00 N ATOM 811 CZ ARG A 115 -9.546 13.347 3.639 1.00 0.00 C ATOM 812 NH1 ARG A 115 -8.525 13.637 4.433 1.00 0.00 N ATOM 813 NH2 ARG A 115 -10.527 14.227 3.479 1.00 0.00 N ATOM 0 H ARG A 115 -9.639 9.978 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.489 7.843 0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.970 9.704 0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.281 10.866 0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.994 9.585 2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.330 9.038 2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -8.300 11.020 4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.648 11.499 2.619 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.387 11.989 2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.769 12.964 4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.496 14.533 4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.314 14.008 2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -10.494 15.122 3.967 1.00 0.00 H new ATOM 827 N GLU A 116 -12.153 9.754 0.558 1.00 0.00 N ATOM 828 CA GLU A 116 -13.493 9.889 1.118 1.00 0.00 C ATOM 829 C GLU A 116 -14.258 8.572 1.023 1.00 0.00 C ATOM 830 O GLU A 116 -15.028 8.223 1.917 1.00 0.00 O ATOM 831 CB GLU A 116 -14.264 10.993 0.392 1.00 0.00 C ATOM 832 CG GLU A 116 -13.995 12.385 0.940 1.00 0.00 C ATOM 833 CD GLU A 116 -14.686 13.471 0.138 1.00 0.00 C ATOM 834 OE1 GLU A 116 -14.998 13.228 -1.047 1.00 0.00 O ATOM 835 OE2 GLU A 116 -14.915 14.565 0.696 1.00 0.00 O ATOM 0 H GLU A 116 -11.955 10.383 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.394 10.156 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -14.003 10.971 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.332 10.785 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -14.330 12.435 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.921 12.569 0.943 1.00 0.00 H new ATOM 842 N ALA A 117 -14.040 7.846 -0.069 1.00 0.00 N ATOM 843 CA ALA A 117 -14.706 6.567 -0.281 1.00 0.00 C ATOM 844 C ALA A 117 -14.272 5.542 0.761 1.00 0.00 C ATOM 845 O ALA A 117 -15.102 4.981 1.478 1.00 0.00 O ATOM 846 CB ALA A 117 -14.422 6.050 -1.684 1.00 0.00 C ATOM 0 H ALA A 117 -13.407 8.122 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.779 6.722 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -14.926 5.094 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -14.789 6.768 -2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -13.348 5.917 -1.812 1.00 0.00 H new ATOM 852 N VAL A 118 -12.968 5.300 0.839 1.00 0.00 N ATOM 853 CA VAL A 118 -12.423 4.342 1.794 1.00 0.00 C ATOM 854 C VAL A 118 -12.981 4.582 3.192 1.00 0.00 C ATOM 855 O VAL A 118 -13.416 3.649 3.868 1.00 0.00 O ATOM 856 CB VAL A 118 -10.886 4.414 1.847 1.00 0.00 C ATOM 857 CG1 VAL A 118 -10.352 3.584 3.005 1.00 0.00 C ATOM 858 CG2 VAL A 118 -10.285 3.953 0.528 1.00 0.00 C ATOM 0 H VAL A 118 -12.268 5.754 0.252 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.721 3.351 1.452 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.594 5.451 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.264 3.647 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.756 3.965 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -10.653 2.544 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.198 4.011 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.584 2.923 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.641 4.594 -0.278 1.00 0.00 H new ATOM 868 N LEU A 119 -12.968 5.840 3.620 1.00 0.00 N ATOM 869 CA LEU A 119 -13.473 6.204 4.939 1.00 0.00 C ATOM 870 C LEU A 119 -14.993 6.088 4.991 1.00 0.00 C ATOM 871 O LEU A 119 -15.569 5.803 6.041 1.00 0.00 O ATOM 872 CB LEU A 119 -13.047 7.630 5.294 1.00 0.00 C ATOM 873 CG LEU A 119 -11.546 7.854 5.482 1.00 0.00 C ATOM 874 CD1 LEU A 119 -11.242 9.338 5.619 1.00 0.00 C ATOM 875 CD2 LEU A 119 -11.041 7.090 6.697 1.00 0.00 C ATOM 0 H LEU A 119 -12.613 6.624 3.073 1.00 0.00 H new ATOM 0 HA LEU A 119 -13.049 5.512 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.399 8.299 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.556 7.922 6.213 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.028 7.477 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.169 9.479 5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.568 9.861 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.771 9.739 6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.971 7.261 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -11.565 7.436 7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.225 6.025 6.559 1.00 0.00 H new ATOM 887 N SER A 120 -15.638 6.309 3.850 1.00 0.00 N ATOM 888 CA SER A 120 -17.091 6.230 3.765 1.00 0.00 C ATOM 889 C SER A 120 -17.533 4.860 3.261 1.00 0.00 C ATOM 890 O SER A 120 -18.504 4.745 2.514 1.00 0.00 O ATOM 891 CB SER A 120 -17.629 7.324 2.840 1.00 0.00 C ATOM 892 OG SER A 120 -17.271 8.612 3.311 1.00 0.00 O ATOM 0 H SER A 120 -15.177 6.544 2.971 1.00 0.00 H new ATOM 0 HA SER A 120 -17.497 6.377 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 120 -17.236 7.179 1.834 1.00 0.00 H new ATOM 0 HB3 SER A 120 -18.714 7.247 2.773 1.00 0.00 H new ATOM 0 HG SER A 120 -16.386 8.852 2.965 1.00 0.00 H new ATOM 898 N GLN A 121 -16.812 3.823 3.676 1.00 0.00 N ATOM 899 CA GLN A 121 -17.129 2.460 3.266 1.00 0.00 C ATOM 900 C GLN A 121 -17.843 1.708 4.384 1.00 0.00 C ATOM 901 O GLN A 121 -17.689 2.032 5.561 1.00 0.00 O ATOM 902 CB GLN A 121 -15.853 1.715 2.868 1.00 0.00 C ATOM 903 CG GLN A 121 -16.075 0.656 1.800 1.00 0.00 C ATOM 904 CD GLN A 121 -16.405 -0.703 2.385 1.00 0.00 C ATOM 905 OE1 GLN A 121 -17.552 -1.148 2.343 1.00 0.00 O ATOM 906 NE2 GLN A 121 -15.397 -1.370 2.936 1.00 0.00 N ATOM 0 H GLN A 121 -16.005 3.901 4.295 1.00 0.00 H new ATOM 0 HA GLN A 121 -17.795 2.512 2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -15.119 2.435 2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.427 1.243 3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -16.886 0.972 1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -15.180 0.574 1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -14.462 -0.962 2.948 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -15.558 -2.290 3.347 1.00 0.00 H new ATOM 915 N SER A 122 -18.626 0.702 4.007 1.00 0.00 N ATOM 916 CA SER A 122 -19.368 -0.095 4.978 1.00 0.00 C ATOM 917 C SER A 122 -18.418 -0.814 5.930 1.00 0.00 C ATOM 918 O SER A 122 -18.266 -0.420 7.086 1.00 0.00 O ATOM 919 CB SER A 122 -20.257 -1.113 4.261 1.00 0.00 C ATOM 920 OG SER A 122 -21.433 -0.501 3.761 1.00 0.00 O ATOM 0 H SER A 122 -18.763 0.419 3.037 1.00 0.00 H new ATOM 0 HA SER A 122 -19.996 0.579 5.560 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.704 -1.569 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.525 -1.915 4.949 1.00 0.00 H new ATOM 0 HG SER A 122 -21.983 -1.172 3.306 1.00 0.00 H new ATOM 926 N GLN A 123 -17.782 -1.870 5.436 1.00 0.00 N ATOM 927 CA GLN A 123 -16.847 -2.645 6.243 1.00 0.00 C ATOM 928 C GLN A 123 -15.629 -3.056 5.421 1.00 0.00 C ATOM 929 O GLN A 123 -15.757 -3.720 4.392 1.00 0.00 O ATOM 930 CB GLN A 123 -17.537 -3.887 6.810 1.00 0.00 C ATOM 931 CG GLN A 123 -18.261 -3.635 8.122 1.00 0.00 C ATOM 932 CD GLN A 123 -19.660 -3.087 7.922 1.00 0.00 C ATOM 933 OE1 GLN A 123 -19.956 -1.954 8.300 1.00 0.00 O ATOM 934 NE2 GLN A 123 -20.531 -3.892 7.323 1.00 0.00 N ATOM 0 H GLN A 123 -17.897 -2.209 4.481 1.00 0.00 H new ATOM 0 HA GLN A 123 -16.511 -2.017 7.068 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -18.251 -4.262 6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -16.793 -4.669 6.960 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -18.317 -4.566 8.686 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -17.683 -2.933 8.722 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -20.243 -4.824 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -21.488 -3.578 7.161 1.00 0.00 H new ATOM 943 N HIS A 124 -14.448 -2.658 5.883 1.00 0.00 N ATOM 944 CA HIS A 124 -13.207 -2.985 5.190 1.00 0.00 C ATOM 945 C HIS A 124 -12.794 -4.427 5.468 1.00 0.00 C ATOM 946 O HIS A 124 -12.774 -4.867 6.618 1.00 0.00 O ATOM 947 CB HIS A 124 -12.092 -2.031 5.620 1.00 0.00 C ATOM 948 CG HIS A 124 -12.272 -0.633 5.113 1.00 0.00 C ATOM 949 ND1 HIS A 124 -12.450 -0.333 3.779 1.00 0.00 N ATOM 950 CD2 HIS A 124 -12.302 0.550 5.771 1.00 0.00 C ATOM 951 CE1 HIS A 124 -12.580 0.974 3.638 1.00 0.00 C ATOM 952 NE2 HIS A 124 -12.495 1.533 4.832 1.00 0.00 N ATOM 0 H HIS A 124 -14.324 -2.109 6.734 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.377 -2.874 4.119 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -12.042 -2.010 6.709 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -11.137 -2.418 5.265 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -12.194 0.694 6.836 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -12.730 1.497 2.705 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -12.562 2.532 5.025 1.00 0.00 H new ATOM 960 N SER A 125 -12.465 -5.158 4.408 1.00 0.00 N ATOM 961 CA SER A 125 -12.057 -6.552 4.538 1.00 0.00 C ATOM 962 C SER A 125 -11.051 -6.927 3.453 1.00 0.00 C ATOM 963 O SER A 125 -11.039 -6.338 2.372 1.00 0.00 O ATOM 964 CB SER A 125 -13.277 -7.472 4.458 1.00 0.00 C ATOM 965 OG SER A 125 -13.032 -8.702 5.120 1.00 0.00 O ATOM 0 H SER A 125 -12.473 -4.808 3.450 1.00 0.00 H new ATOM 0 HA SER A 125 -11.580 -6.676 5.510 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.139 -6.979 4.908 1.00 0.00 H new ATOM 0 HB3 SER A 125 -13.527 -7.661 3.414 1.00 0.00 H new ATOM 0 HG SER A 125 -12.077 -8.778 5.326 1.00 0.00 H new ATOM 971 N LEU A 126 -10.210 -7.911 3.750 1.00 0.00 N ATOM 972 CA LEU A 126 -9.199 -8.366 2.802 1.00 0.00 C ATOM 973 C LEU A 126 -9.493 -9.788 2.334 1.00 0.00 C ATOM 974 O LEU A 126 -8.579 -10.562 2.054 1.00 0.00 O ATOM 975 CB LEU A 126 -7.809 -8.303 3.438 1.00 0.00 C ATOM 976 CG LEU A 126 -6.627 -8.296 2.468 1.00 0.00 C ATOM 977 CD1 LEU A 126 -6.702 -7.090 1.544 1.00 0.00 C ATOM 978 CD2 LEU A 126 -5.311 -8.304 3.231 1.00 0.00 C ATOM 0 H LEU A 126 -10.208 -8.409 4.640 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.225 -7.705 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.753 -7.405 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.699 -9.156 4.108 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.676 -9.199 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.853 -7.102 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.629 -7.127 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.678 -6.176 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.481 -8.299 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.253 -7.420 3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.255 -9.199 3.850 1.00 0.00 H new ATOM 990 N GLY A 127 -10.777 -10.124 2.248 1.00 0.00 N ATOM 991 CA GLY A 127 -11.168 -11.451 1.812 1.00 0.00 C ATOM 992 C GLY A 127 -11.439 -12.388 2.973 1.00 0.00 C ATOM 993 O GLY A 127 -12.588 -12.589 3.362 1.00 0.00 O ATOM 0 H GLY A 127 -11.553 -9.501 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -12.062 -11.378 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -10.380 -11.871 1.187 1.00 0.00 H new ATOM 997 N GLY A 128 -10.376 -12.963 3.527 1.00 0.00 N ATOM 998 CA GLY A 128 -10.525 -13.878 4.643 1.00 0.00 C ATOM 999 C GLY A 128 -10.534 -13.164 5.981 1.00 0.00 C ATOM 1000 O GLY A 128 -11.352 -13.468 6.849 1.00 0.00 O ATOM 0 H GLY A 128 -9.414 -12.811 3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -11.452 -14.439 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.710 -14.602 4.626 1.00 0.00 H new ATOM 1004 N HIS A 129 -9.621 -12.213 6.148 1.00 0.00 N ATOM 1005 CA HIS A 129 -9.526 -11.455 7.390 1.00 0.00 C ATOM 1006 C HIS A 129 -9.994 -10.017 7.186 1.00 0.00 C ATOM 1007 O HIS A 129 -10.263 -9.596 6.061 1.00 0.00 O ATOM 1008 CB HIS A 129 -8.089 -11.466 7.911 1.00 0.00 C ATOM 1009 CG HIS A 129 -7.656 -12.796 8.447 1.00 0.00 C ATOM 1010 ND1 HIS A 129 -7.297 -12.997 9.763 1.00 0.00 N ATOM 1011 CD2 HIS A 129 -7.528 -13.997 7.836 1.00 0.00 C ATOM 1012 CE1 HIS A 129 -6.964 -14.263 9.938 1.00 0.00 C ATOM 1013 NE2 HIS A 129 -7.096 -14.892 8.784 1.00 0.00 N ATOM 0 H HIS A 129 -8.937 -11.949 5.439 1.00 0.00 H new ATOM 0 HA HIS A 129 -10.175 -11.929 8.126 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -7.417 -11.172 7.105 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -7.991 -10.717 8.697 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -7.728 -14.212 6.797 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -6.639 -14.708 10.867 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -6.908 -15.881 8.623 1.00 0.00 H new ATOM 1021 N ARG A 130 -10.090 -9.270 8.281 1.00 0.00 N ATOM 1022 CA ARG A 130 -10.528 -7.880 8.222 1.00 0.00 C ATOM 1023 C ARG A 130 -9.353 -6.931 8.433 1.00 0.00 C ATOM 1024 O ARG A 130 -8.236 -7.362 8.723 1.00 0.00 O ATOM 1025 CB ARG A 130 -11.606 -7.618 9.275 1.00 0.00 C ATOM 1026 CG ARG A 130 -12.964 -8.198 8.915 1.00 0.00 C ATOM 1027 CD ARG A 130 -13.779 -8.522 10.157 1.00 0.00 C ATOM 1028 NE ARG A 130 -14.826 -9.503 9.885 1.00 0.00 N ATOM 1029 CZ ARG A 130 -15.933 -9.226 9.205 1.00 0.00 C ATOM 1030 NH1 ARG A 130 -16.136 -8.005 8.730 1.00 0.00 N ATOM 1031 NH2 ARG A 130 -16.840 -10.173 8.997 1.00 0.00 N ATOM 0 H ARG A 130 -9.871 -9.604 9.220 1.00 0.00 H new ATOM 0 HA ARG A 130 -10.946 -7.698 7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -11.282 -8.039 10.227 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -11.707 -6.542 9.420 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -13.511 -7.488 8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -12.829 -9.102 8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.118 -8.904 10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -14.230 -7.608 10.543 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.700 -10.452 10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -15.441 -7.275 8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -16.987 -7.796 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -16.687 -11.114 9.359 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -17.690 -9.959 8.475 1.00 0.00 H new ATOM 1045 N LEU A 131 -9.611 -5.636 8.285 1.00 0.00 N ATOM 1046 CA LEU A 131 -8.575 -4.624 8.459 1.00 0.00 C ATOM 1047 C LEU A 131 -9.087 -3.460 9.301 1.00 0.00 C ATOM 1048 O LEU A 131 -10.283 -3.167 9.312 1.00 0.00 O ATOM 1049 CB LEU A 131 -8.099 -4.113 7.098 1.00 0.00 C ATOM 1050 CG LEU A 131 -7.494 -5.161 6.162 1.00 0.00 C ATOM 1051 CD1 LEU A 131 -7.356 -4.602 4.755 1.00 0.00 C ATOM 1052 CD2 LEU A 131 -6.145 -5.629 6.687 1.00 0.00 C ATOM 0 H LEU A 131 -10.529 -5.262 8.045 1.00 0.00 H new ATOM 0 HA LEU A 131 -7.736 -5.085 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -8.944 -3.647 6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -7.357 -3.332 7.265 1.00 0.00 H new ATOM 0 HG LEU A 131 -8.165 -6.020 6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -6.924 -5.361 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -8.338 -4.317 4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.706 -3.727 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -5.729 -6.374 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.466 -4.779 6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -6.272 -6.069 7.676 1.00 0.00 H new ATOM 1064 N ARG A 132 -8.173 -2.798 10.004 1.00 0.00 N ATOM 1065 CA ARG A 132 -8.532 -1.665 10.849 1.00 0.00 C ATOM 1066 C ARG A 132 -7.975 -0.364 10.278 1.00 0.00 C ATOM 1067 O ARG A 132 -6.872 0.057 10.628 1.00 0.00 O ATOM 1068 CB ARG A 132 -8.010 -1.876 12.271 1.00 0.00 C ATOM 1069 CG ARG A 132 -8.508 -0.838 13.263 1.00 0.00 C ATOM 1070 CD ARG A 132 -8.534 -1.389 14.680 1.00 0.00 C ATOM 1071 NE ARG A 132 -9.127 -0.444 15.624 1.00 0.00 N ATOM 1072 CZ ARG A 132 -9.403 -0.744 16.888 1.00 0.00 C ATOM 1073 NH1 ARG A 132 -9.141 -1.956 17.358 1.00 0.00 N ATOM 1074 NH2 ARG A 132 -9.942 0.169 17.685 1.00 0.00 N ATOM 0 H ARG A 132 -7.179 -3.027 10.005 1.00 0.00 H new ATOM 0 HA ARG A 132 -9.619 -1.594 10.876 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -8.307 -2.867 12.615 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -6.920 -1.858 12.255 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -7.865 0.041 13.225 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -9.509 -0.513 12.979 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -9.099 -2.321 14.696 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -7.518 -1.627 14.995 1.00 0.00 H new ATOM 0 HE ARG A 132 -9.341 0.497 15.294 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.726 -2.661 16.748 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -9.354 -2.183 18.329 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -10.145 1.102 17.327 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -10.154 -0.062 18.656 1.00 0.00 H new ATOM 1088 N VAL A 133 -8.744 0.268 9.398 1.00 0.00 N ATOM 1089 CA VAL A 133 -8.328 1.521 8.779 1.00 0.00 C ATOM 1090 C VAL A 133 -8.985 2.715 9.461 1.00 0.00 C ATOM 1091 O VAL A 133 -10.194 2.723 9.692 1.00 0.00 O ATOM 1092 CB VAL A 133 -8.673 1.547 7.278 1.00 0.00 C ATOM 1093 CG1 VAL A 133 -8.181 2.837 6.640 1.00 0.00 C ATOM 1094 CG2 VAL A 133 -8.081 0.335 6.575 1.00 0.00 C ATOM 0 H VAL A 133 -9.659 -0.067 9.097 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.247 1.589 8.897 1.00 0.00 H new ATOM 0 HB VAL A 133 -9.757 1.507 7.171 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -8.433 2.838 5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -8.657 3.688 7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.100 2.911 6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.334 0.369 5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -6.997 0.342 6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.487 -0.576 7.016 1.00 0.00 H new ATOM 1104 N ARG A 134 -8.181 3.723 9.781 1.00 0.00 N ATOM 1105 CA ARG A 134 -8.684 4.924 10.438 1.00 0.00 C ATOM 1106 C ARG A 134 -8.087 6.179 9.808 1.00 0.00 C ATOM 1107 O ARG A 134 -6.969 6.173 9.292 1.00 0.00 O ATOM 1108 CB ARG A 134 -8.360 4.887 11.933 1.00 0.00 C ATOM 1109 CG ARG A 134 -6.872 4.811 12.232 1.00 0.00 C ATOM 1110 CD ARG A 134 -6.541 5.436 13.578 1.00 0.00 C ATOM 1111 NE ARG A 134 -6.662 4.476 14.672 1.00 0.00 N ATOM 1112 CZ ARG A 134 -6.364 4.760 15.935 1.00 0.00 C ATOM 1113 NH1 ARG A 134 -5.930 5.970 16.261 1.00 0.00 N ATOM 1114 NH2 ARG A 134 -6.499 3.833 16.874 1.00 0.00 N ATOM 0 H ARG A 134 -7.178 3.732 9.596 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.766 4.953 10.308 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.772 5.777 12.408 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.857 4.027 12.383 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.551 3.769 12.225 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -6.315 5.321 11.446 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -5.526 5.832 13.554 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.208 6.279 13.760 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.993 3.536 14.454 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -5.824 6.685 15.541 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -5.702 6.186 17.231 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -6.832 2.901 16.627 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -6.270 4.052 17.844 1.00 0.00 H new ATOM 1128 N PRO A 135 -8.849 7.282 9.849 1.00 0.00 N ATOM 1129 CA PRO A 135 -8.416 8.565 9.287 1.00 0.00 C ATOM 1130 C PRO A 135 -6.985 8.915 9.679 1.00 0.00 C ATOM 1131 O PRO A 135 -6.616 8.842 10.851 1.00 0.00 O ATOM 1132 CB PRO A 135 -9.399 9.568 9.897 1.00 0.00 C ATOM 1133 CG PRO A 135 -10.634 8.778 10.157 1.00 0.00 C ATOM 1134 CD PRO A 135 -10.192 7.361 10.448 1.00 0.00 C ATOM 0 HA PRO A 135 -8.417 8.555 8.197 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -9.004 10.000 10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -9.595 10.395 9.215 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -11.187 9.191 11.000 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -11.300 8.806 9.294 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -10.164 7.163 11.519 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -10.871 6.631 10.006 1.00 0.00 H new ATOM 1142 N ARG A 136 -6.183 9.297 8.691 1.00 0.00 N ATOM 1143 CA ARG A 136 -4.791 9.659 8.933 1.00 0.00 C ATOM 1144 C ARG A 136 -4.689 10.747 9.997 1.00 0.00 C ATOM 1145 O ARG A 136 -4.040 10.563 11.026 1.00 0.00 O ATOM 1146 CB ARG A 136 -4.133 10.136 7.636 1.00 0.00 C ATOM 1147 CG ARG A 136 -2.726 10.676 7.831 1.00 0.00 C ATOM 1148 CD ARG A 136 -1.761 9.580 8.253 1.00 0.00 C ATOM 1149 NE ARG A 136 -0.392 10.072 8.377 1.00 0.00 N ATOM 1150 CZ ARG A 136 0.073 10.688 9.458 1.00 0.00 C ATOM 1151 NH1 ARG A 136 -0.717 10.885 10.504 1.00 0.00 N ATOM 1152 NH2 ARG A 136 1.331 11.108 9.494 1.00 0.00 N ATOM 0 H ARG A 136 -6.473 9.364 7.715 1.00 0.00 H new ATOM 0 HA ARG A 136 -4.269 8.773 9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.100 9.307 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.753 10.913 7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -2.378 11.131 6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -2.738 11.462 8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.083 9.161 9.206 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.790 8.771 7.523 1.00 0.00 H new ATOM 0 HE ARG A 136 0.242 9.935 7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.685 10.563 10.480 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.357 11.358 11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.942 10.958 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 136 1.687 11.581 10.325 1.00 0.00 H new