USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=11 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 122 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 121 GLN : amide:sc= -5.22! C(o=-8.6!,f=-9.3!) USER MOD Set 2.2: A 124 HIS : no HD1:sc= -3.4 X(o=-8.6,f=-8.4) USER MOD Single : A 67 SER OG : rot 2:sc= 0.44 USER MOD Single : A 71 SER OG : rot 81:sc= 1.13 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0217 X(o=-0.022,f=0) USER MOD Single : A 83 SER OG : rot -31:sc= 0.669 USER MOD Single : A 85 TYR OH : rot 63:sc= 0.275 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 135:sc= -0.0107 (180deg=-0.365) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -165:sc= -0.0325 (180deg=-0.249) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 33:sc= 0.226 USER MOD Single : A 129 HIS : no HD1:sc= -0.312 K(o=-0.31,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 85 N ARG A 66 -4.224 13.556 1.940 1.00 0.00 N ATOM 86 CA ARG A 66 -4.900 12.437 1.293 1.00 0.00 C ATOM 87 C ARG A 66 -4.205 11.119 1.622 1.00 0.00 C ATOM 88 O ARG A 66 -3.401 10.617 0.837 1.00 0.00 O ATOM 89 CB ARG A 66 -4.936 12.643 -0.222 1.00 0.00 C ATOM 90 CG ARG A 66 -5.696 13.889 -0.650 1.00 0.00 C ATOM 91 CD ARG A 66 -5.323 14.311 -2.062 1.00 0.00 C ATOM 92 NE ARG A 66 -4.053 15.032 -2.100 1.00 0.00 N ATOM 93 CZ ARG A 66 -3.883 16.249 -1.596 1.00 0.00 C ATOM 94 NH1 ARG A 66 -4.897 16.878 -1.018 1.00 0.00 N ATOM 95 NH2 ARG A 66 -2.697 16.839 -1.670 1.00 0.00 N ATOM 0 HA ARG A 66 -5.921 12.394 1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.914 12.705 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.394 11.770 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.768 13.699 -0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.482 14.703 0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.258 13.429 -2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.111 14.943 -2.472 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.253 14.576 -2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.810 16.427 -0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.764 17.813 -0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.915 16.358 -2.114 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.567 17.774 -1.283 1.00 0.00 H new ATOM 109 N SER A 67 -4.521 10.564 2.788 1.00 0.00 N ATOM 110 CA SER A 67 -3.924 9.307 3.222 1.00 0.00 C ATOM 111 C SER A 67 -4.810 8.612 4.252 1.00 0.00 C ATOM 112 O SER A 67 -5.760 9.201 4.768 1.00 0.00 O ATOM 113 CB SER A 67 -2.535 9.554 3.812 1.00 0.00 C ATOM 114 OG SER A 67 -1.645 10.053 2.829 1.00 0.00 O ATOM 0 H SER A 67 -5.187 10.965 3.448 1.00 0.00 H new ATOM 0 HA SER A 67 -3.831 8.658 2.351 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.607 10.264 4.636 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.142 8.625 4.225 1.00 0.00 H new ATOM 0 HG SER A 67 -2.124 10.168 1.982 1.00 0.00 H new ATOM 120 N VAL A 68 -4.491 7.356 4.547 1.00 0.00 N ATOM 121 CA VAL A 68 -5.256 6.580 5.515 1.00 0.00 C ATOM 122 C VAL A 68 -4.378 5.543 6.206 1.00 0.00 C ATOM 123 O VAL A 68 -3.598 4.844 5.558 1.00 0.00 O ATOM 124 CB VAL A 68 -6.447 5.866 4.848 1.00 0.00 C ATOM 125 CG1 VAL A 68 -7.399 6.878 4.230 1.00 0.00 C ATOM 126 CG2 VAL A 68 -5.955 4.876 3.803 1.00 0.00 C ATOM 0 H VAL A 68 -3.708 6.854 4.129 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.633 7.284 6.257 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.992 5.312 5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.234 6.355 3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.776 7.544 5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.870 7.462 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.809 4.380 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.386 5.406 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.317 4.132 4.279 1.00 0.00 H new ATOM 136 N PHE A 69 -4.509 5.448 7.525 1.00 0.00 N ATOM 137 CA PHE A 69 -3.727 4.496 8.305 1.00 0.00 C ATOM 138 C PHE A 69 -4.286 3.084 8.159 1.00 0.00 C ATOM 139 O PHE A 69 -5.386 2.788 8.625 1.00 0.00 O ATOM 140 CB PHE A 69 -3.713 4.902 9.780 1.00 0.00 C ATOM 141 CG PHE A 69 -2.641 4.220 10.580 1.00 0.00 C ATOM 142 CD1 PHE A 69 -1.340 4.697 10.568 1.00 0.00 C ATOM 143 CD2 PHE A 69 -2.933 3.101 11.343 1.00 0.00 C ATOM 144 CE1 PHE A 69 -0.351 4.071 11.302 1.00 0.00 C ATOM 145 CE2 PHE A 69 -1.948 2.471 12.080 1.00 0.00 C ATOM 146 CZ PHE A 69 -0.655 2.957 12.060 1.00 0.00 C ATOM 0 H PHE A 69 -5.150 6.019 8.076 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.706 4.504 7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.576 5.981 9.850 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.684 4.674 10.220 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.096 5.568 9.978 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.942 2.717 11.362 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.659 4.452 11.283 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.189 1.600 12.671 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.116 2.467 12.636 1.00 0.00 H new ATOM 156 N VAL A 70 -3.519 2.215 7.508 1.00 0.00 N ATOM 157 CA VAL A 70 -3.936 0.833 7.300 1.00 0.00 C ATOM 158 C VAL A 70 -3.084 -0.128 8.121 1.00 0.00 C ATOM 159 O VAL A 70 -1.964 -0.463 7.737 1.00 0.00 O ATOM 160 CB VAL A 70 -3.849 0.438 5.814 1.00 0.00 C ATOM 161 CG1 VAL A 70 -4.086 -1.055 5.644 1.00 0.00 C ATOM 162 CG2 VAL A 70 -4.844 1.241 4.990 1.00 0.00 C ATOM 0 H VAL A 70 -2.606 2.443 7.116 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.974 0.763 7.627 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.846 0.666 5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.021 -1.316 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.331 -1.609 6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.076 -1.311 6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.769 0.949 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.855 1.047 5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.623 2.304 5.087 1.00 0.00 H new ATOM 172 N SER A 71 -3.622 -0.568 9.254 1.00 0.00 N ATOM 173 CA SER A 71 -2.909 -1.488 10.132 1.00 0.00 C ATOM 174 C SER A 71 -3.796 -2.669 10.517 1.00 0.00 C ATOM 175 O SER A 71 -5.022 -2.575 10.484 1.00 0.00 O ATOM 176 CB SER A 71 -2.435 -0.761 11.392 1.00 0.00 C ATOM 177 OG SER A 71 -2.033 -1.681 12.392 1.00 0.00 O ATOM 0 H SER A 71 -4.549 -0.302 9.585 1.00 0.00 H new ATOM 0 HA SER A 71 -2.042 -1.867 9.592 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.603 -0.102 11.144 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.237 -0.130 11.775 1.00 0.00 H new ATOM 0 HG SER A 71 -1.119 -1.984 12.209 1.00 0.00 H new ATOM 183 N GLY A 72 -3.165 -3.781 10.881 1.00 0.00 N ATOM 184 CA GLY A 72 -3.911 -4.965 11.266 1.00 0.00 C ATOM 185 C GLY A 72 -4.025 -5.971 10.138 1.00 0.00 C ATOM 186 O GLY A 72 -5.001 -6.717 10.058 1.00 0.00 O ATOM 0 H GLY A 72 -2.151 -3.883 10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.424 -5.435 12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.910 -4.672 11.590 1.00 0.00 H new ATOM 190 N PHE A 73 -3.025 -5.992 9.263 1.00 0.00 N ATOM 191 CA PHE A 73 -3.019 -6.912 8.132 1.00 0.00 C ATOM 192 C PHE A 73 -2.235 -8.178 8.466 1.00 0.00 C ATOM 193 O PHE A 73 -1.376 -8.193 9.347 1.00 0.00 O ATOM 194 CB PHE A 73 -2.415 -6.235 6.900 1.00 0.00 C ATOM 195 CG PHE A 73 -1.174 -5.444 7.198 1.00 0.00 C ATOM 196 CD1 PHE A 73 0.067 -6.060 7.220 1.00 0.00 C ATOM 197 CD2 PHE A 73 -1.248 -4.085 7.456 1.00 0.00 C ATOM 198 CE1 PHE A 73 1.211 -5.334 7.495 1.00 0.00 C ATOM 199 CE2 PHE A 73 -0.107 -3.354 7.732 1.00 0.00 C ATOM 200 CZ PHE A 73 1.124 -3.980 7.750 1.00 0.00 C ATOM 0 H PHE A 73 -2.209 -5.383 9.316 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.051 -7.190 7.916 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.181 -6.996 6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.160 -5.574 6.457 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.141 -7.119 7.020 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.208 -3.591 7.441 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.172 -5.826 7.510 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.178 -2.295 7.933 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.017 -3.411 7.963 1.00 0.00 H new ATOM 210 N PRO A 74 -2.538 -9.268 7.745 1.00 0.00 N ATOM 211 CA PRO A 74 -1.875 -10.560 7.946 1.00 0.00 C ATOM 212 C PRO A 74 -0.466 -10.584 7.363 1.00 0.00 C ATOM 213 O PRO A 74 -0.189 -9.932 6.356 1.00 0.00 O ATOM 214 CB PRO A 74 -2.779 -11.543 7.199 1.00 0.00 C ATOM 215 CG PRO A 74 -3.426 -10.729 6.133 1.00 0.00 C ATOM 216 CD PRO A 74 -3.552 -9.324 6.678 1.00 0.00 C ATOM 0 HA PRO A 74 -1.750 -10.794 9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.203 -12.366 6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.521 -11.984 7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.828 -10.739 5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.405 -11.134 5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.363 -8.577 5.907 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.552 -9.134 7.067 1.00 0.00 H new ATOM 224 N ARG A 75 0.421 -11.341 8.002 1.00 0.00 N ATOM 225 CA ARG A 75 1.802 -11.449 7.546 1.00 0.00 C ATOM 226 C ARG A 75 1.859 -11.820 6.067 1.00 0.00 C ATOM 227 O ARG A 75 0.922 -12.408 5.528 1.00 0.00 O ATOM 228 CB ARG A 75 2.554 -12.493 8.374 1.00 0.00 C ATOM 229 CG ARG A 75 3.078 -11.958 9.697 1.00 0.00 C ATOM 230 CD ARG A 75 3.875 -13.013 10.448 1.00 0.00 C ATOM 231 NE ARG A 75 3.027 -13.820 11.322 1.00 0.00 N ATOM 232 CZ ARG A 75 2.372 -13.328 12.367 1.00 0.00 C ATOM 233 NH1 ARG A 75 2.465 -12.040 12.667 1.00 0.00 N ATOM 234 NH2 ARG A 75 1.620 -14.126 13.115 1.00 0.00 N ATOM 0 H ARG A 75 0.208 -11.888 8.836 1.00 0.00 H new ATOM 0 HA ARG A 75 2.279 -10.478 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.891 -13.336 8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.391 -12.875 7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.707 -11.087 9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.242 -11.625 10.313 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.381 -13.662 9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.650 -12.528 11.042 1.00 0.00 H new ATOM 0 HE ARG A 75 2.933 -14.815 11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.041 -11.423 12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.960 -11.666 13.471 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.545 -15.117 12.887 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.117 -13.748 13.918 1.00 0.00 H new ATOM 248 N GLY A 76 2.965 -11.472 5.417 1.00 0.00 N ATOM 249 CA GLY A 76 3.123 -11.776 4.007 1.00 0.00 C ATOM 250 C GLY A 76 2.587 -10.675 3.113 1.00 0.00 C ATOM 251 O GLY A 76 3.115 -10.435 2.027 1.00 0.00 O ATOM 0 H GLY A 76 3.754 -10.985 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.179 -11.935 3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.606 -12.708 3.779 1.00 0.00 H new ATOM 255 N VAL A 77 1.534 -10.005 3.569 1.00 0.00 N ATOM 256 CA VAL A 77 0.925 -8.924 2.803 1.00 0.00 C ATOM 257 C VAL A 77 1.987 -8.015 2.196 1.00 0.00 C ATOM 258 O VAL A 77 2.956 -7.645 2.860 1.00 0.00 O ATOM 259 CB VAL A 77 -0.020 -8.079 3.677 1.00 0.00 C ATOM 260 CG1 VAL A 77 -0.495 -6.850 2.917 1.00 0.00 C ATOM 261 CG2 VAL A 77 -1.201 -8.915 4.147 1.00 0.00 C ATOM 0 H VAL A 77 1.085 -10.192 4.465 1.00 0.00 H new ATOM 0 HA VAL A 77 0.348 -9.389 2.003 1.00 0.00 H new ATOM 0 HB VAL A 77 0.530 -7.743 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.162 -6.265 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.364 -6.241 2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.029 -7.161 2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.858 -8.302 4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.753 -9.283 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.839 -9.760 4.733 1.00 0.00 H new ATOM 271 N ASP A 78 1.799 -7.657 0.930 1.00 0.00 N ATOM 272 CA ASP A 78 2.740 -6.788 0.233 1.00 0.00 C ATOM 273 C ASP A 78 2.037 -5.547 -0.306 1.00 0.00 C ATOM 274 O ASP A 78 0.848 -5.582 -0.622 1.00 0.00 O ATOM 275 CB ASP A 78 3.414 -7.546 -0.912 1.00 0.00 C ATOM 276 CG ASP A 78 4.344 -8.636 -0.417 1.00 0.00 C ATOM 277 OD1 ASP A 78 4.960 -8.450 0.653 1.00 0.00 O ATOM 278 OD2 ASP A 78 4.454 -9.676 -1.100 1.00 0.00 O ATOM 0 H ASP A 78 1.003 -7.955 0.366 1.00 0.00 H new ATOM 0 HA ASP A 78 3.501 -6.471 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.649 -7.988 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.977 -6.844 -1.527 1.00 0.00 H new ATOM 283 N SER A 79 2.780 -4.449 -0.408 1.00 0.00 N ATOM 284 CA SER A 79 2.227 -3.195 -0.904 1.00 0.00 C ATOM 285 C SER A 79 1.381 -3.430 -2.152 1.00 0.00 C ATOM 286 O SER A 79 0.357 -2.778 -2.353 1.00 0.00 O ATOM 287 CB SER A 79 3.351 -2.205 -1.215 1.00 0.00 C ATOM 288 OG SER A 79 4.284 -2.762 -2.124 1.00 0.00 O ATOM 0 H SER A 79 3.767 -4.403 -0.153 1.00 0.00 H new ATOM 0 HA SER A 79 1.588 -2.776 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.930 -1.292 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.860 -1.926 -0.292 1.00 0.00 H new ATOM 0 HG SER A 79 4.991 -2.109 -2.308 1.00 0.00 H new ATOM 294 N ALA A 80 1.819 -4.366 -2.987 1.00 0.00 N ATOM 295 CA ALA A 80 1.102 -4.690 -4.215 1.00 0.00 C ATOM 296 C ALA A 80 -0.296 -5.218 -3.911 1.00 0.00 C ATOM 297 O ALA A 80 -1.290 -4.689 -4.409 1.00 0.00 O ATOM 298 CB ALA A 80 1.886 -5.706 -5.031 1.00 0.00 C ATOM 0 H ALA A 80 2.666 -4.913 -2.836 1.00 0.00 H new ATOM 0 HA ALA A 80 0.998 -3.775 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.339 -5.939 -5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.861 -5.292 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.020 -6.616 -4.447 1.00 0.00 H new ATOM 304 N GLN A 81 -0.364 -6.263 -3.093 1.00 0.00 N ATOM 305 CA GLN A 81 -1.641 -6.862 -2.725 1.00 0.00 C ATOM 306 C GLN A 81 -2.597 -5.811 -2.170 1.00 0.00 C ATOM 307 O GLN A 81 -3.711 -5.646 -2.668 1.00 0.00 O ATOM 308 CB GLN A 81 -1.430 -7.972 -1.693 1.00 0.00 C ATOM 309 CG GLN A 81 -0.902 -9.266 -2.291 1.00 0.00 C ATOM 310 CD GLN A 81 -1.058 -10.447 -1.354 1.00 0.00 C ATOM 311 OE1 GLN A 81 -1.952 -11.277 -1.526 1.00 0.00 O ATOM 312 NE2 GLN A 81 -0.187 -10.531 -0.355 1.00 0.00 N ATOM 0 H GLN A 81 0.450 -6.712 -2.673 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.084 -7.291 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.732 -7.622 -0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.376 -8.173 -1.190 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.429 -9.473 -3.222 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.152 -9.143 -2.542 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.538 -9.821 -0.250 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.243 -11.305 0.307 1.00 0.00 H new ATOM 321 N LEU A 82 -2.154 -5.103 -1.137 1.00 0.00 N ATOM 322 CA LEU A 82 -2.970 -4.067 -0.514 1.00 0.00 C ATOM 323 C LEU A 82 -3.487 -3.080 -1.556 1.00 0.00 C ATOM 324 O LEU A 82 -4.692 -2.978 -1.785 1.00 0.00 O ATOM 325 CB LEU A 82 -2.160 -3.324 0.551 1.00 0.00 C ATOM 326 CG LEU A 82 -1.988 -4.046 1.887 1.00 0.00 C ATOM 327 CD1 LEU A 82 -0.844 -3.434 2.681 1.00 0.00 C ATOM 328 CD2 LEU A 82 -3.280 -4.000 2.689 1.00 0.00 C ATOM 0 H LEU A 82 -1.235 -5.227 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.826 -4.549 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.171 -3.113 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.639 -2.363 0.739 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.746 -5.090 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.736 -3.961 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.081 -3.520 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.056 -2.382 2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.138 -4.519 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.553 -2.962 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.076 -4.486 2.125 1.00 0.00 H new ATOM 340 N SER A 83 -2.566 -2.357 -2.187 1.00 0.00 N ATOM 341 CA SER A 83 -2.929 -1.377 -3.204 1.00 0.00 C ATOM 342 C SER A 83 -4.056 -1.903 -4.088 1.00 0.00 C ATOM 343 O SER A 83 -5.077 -1.241 -4.269 1.00 0.00 O ATOM 344 CB SER A 83 -1.712 -1.028 -4.063 1.00 0.00 C ATOM 345 OG SER A 83 -1.154 -2.190 -4.652 1.00 0.00 O ATOM 0 H SER A 83 -1.564 -2.432 -2.012 1.00 0.00 H new ATOM 0 HA SER A 83 -3.278 -0.477 -2.698 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.003 -0.325 -4.843 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.961 -0.530 -3.450 1.00 0.00 H new ATOM 0 HG SER A 83 -1.293 -2.957 -4.058 1.00 0.00 H new ATOM 351 N GLU A 84 -3.861 -3.099 -4.635 1.00 0.00 N ATOM 352 CA GLU A 84 -4.860 -3.714 -5.501 1.00 0.00 C ATOM 353 C GLU A 84 -6.235 -3.703 -4.839 1.00 0.00 C ATOM 354 O GLU A 84 -7.221 -3.276 -5.440 1.00 0.00 O ATOM 355 CB GLU A 84 -4.457 -5.151 -5.841 1.00 0.00 C ATOM 356 CG GLU A 84 -4.991 -5.632 -7.180 1.00 0.00 C ATOM 357 CD GLU A 84 -5.206 -7.132 -7.217 1.00 0.00 C ATOM 358 OE1 GLU A 84 -5.614 -7.698 -6.181 1.00 0.00 O ATOM 359 OE2 GLU A 84 -4.967 -7.741 -8.281 1.00 0.00 O ATOM 0 H GLU A 84 -3.021 -3.661 -4.494 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.914 -3.132 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.369 -5.223 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.817 -5.816 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.934 -5.128 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.293 -5.349 -7.968 1.00 0.00 H new ATOM 366 N TYR A 85 -6.291 -4.175 -3.599 1.00 0.00 N ATOM 367 CA TYR A 85 -7.545 -4.222 -2.855 1.00 0.00 C ATOM 368 C TYR A 85 -8.094 -2.818 -2.623 1.00 0.00 C ATOM 369 O TYR A 85 -9.301 -2.628 -2.471 1.00 0.00 O ATOM 370 CB TYR A 85 -7.340 -4.930 -1.515 1.00 0.00 C ATOM 371 CG TYR A 85 -8.511 -4.785 -0.569 1.00 0.00 C ATOM 372 CD1 TYR A 85 -9.736 -5.374 -0.853 1.00 0.00 C ATOM 373 CD2 TYR A 85 -8.391 -4.058 0.610 1.00 0.00 C ATOM 374 CE1 TYR A 85 -10.809 -5.243 0.009 1.00 0.00 C ATOM 375 CE2 TYR A 85 -9.457 -3.923 1.477 1.00 0.00 C ATOM 376 CZ TYR A 85 -10.664 -4.517 1.172 1.00 0.00 C ATOM 377 OH TYR A 85 -11.729 -4.385 2.033 1.00 0.00 O ATOM 0 H TYR A 85 -5.483 -4.531 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.269 -4.782 -3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.160 -5.989 -1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.445 -4.532 -1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.853 -5.944 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.448 -3.591 0.852 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.755 -5.707 -0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.346 -3.355 2.389 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.981 -5.267 2.379 1.00 0.00 H new ATOM 387 N PHE A 86 -7.199 -1.836 -2.599 1.00 0.00 N ATOM 388 CA PHE A 86 -7.592 -0.448 -2.385 1.00 0.00 C ATOM 389 C PHE A 86 -7.935 0.229 -3.709 1.00 0.00 C ATOM 390 O PHE A 86 -8.622 1.251 -3.736 1.00 0.00 O ATOM 391 CB PHE A 86 -6.471 0.319 -1.682 1.00 0.00 C ATOM 392 CG PHE A 86 -6.377 0.029 -0.211 1.00 0.00 C ATOM 393 CD1 PHE A 86 -7.459 0.256 0.624 1.00 0.00 C ATOM 394 CD2 PHE A 86 -5.206 -0.470 0.337 1.00 0.00 C ATOM 395 CE1 PHE A 86 -7.377 -0.010 1.977 1.00 0.00 C ATOM 396 CE2 PHE A 86 -5.118 -0.738 1.690 1.00 0.00 C ATOM 397 CZ PHE A 86 -6.204 -0.507 2.511 1.00 0.00 C ATOM 0 H PHE A 86 -6.197 -1.976 -2.725 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.479 -0.440 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.520 0.071 -2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.629 1.388 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.378 0.646 0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.353 -0.651 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -8.229 0.170 2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.200 -1.128 2.105 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.136 -0.715 3.569 1.00 0.00 H new ATOM 407 N LEU A 87 -7.451 -0.346 -4.804 1.00 0.00 N ATOM 408 CA LEU A 87 -7.705 0.202 -6.132 1.00 0.00 C ATOM 409 C LEU A 87 -9.192 0.149 -6.467 1.00 0.00 C ATOM 410 O LEU A 87 -9.659 0.839 -7.373 1.00 0.00 O ATOM 411 CB LEU A 87 -6.905 -0.568 -7.184 1.00 0.00 C ATOM 412 CG LEU A 87 -5.429 -0.192 -7.314 1.00 0.00 C ATOM 413 CD1 LEU A 87 -4.709 -1.163 -8.237 1.00 0.00 C ATOM 414 CD2 LEU A 87 -5.285 1.236 -7.822 1.00 0.00 C ATOM 0 H LEU A 87 -6.880 -1.192 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.388 1.245 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.969 -1.631 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.383 -0.422 -8.153 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.970 -0.254 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.660 -0.879 -8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.782 -2.172 -7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.169 -1.135 -9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.228 1.487 -7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.760 1.324 -8.799 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.764 1.921 -7.123 1.00 0.00 H new ATOM 426 N ALA A 88 -9.931 -0.673 -5.729 1.00 0.00 N ATOM 427 CA ALA A 88 -11.366 -0.812 -5.946 1.00 0.00 C ATOM 428 C ALA A 88 -12.116 0.427 -5.470 1.00 0.00 C ATOM 429 O ALA A 88 -13.298 0.601 -5.765 1.00 0.00 O ATOM 430 CB ALA A 88 -11.888 -2.053 -5.236 1.00 0.00 C ATOM 0 H ALA A 88 -9.560 -1.252 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.538 -0.919 -7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.961 -2.145 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.382 -2.936 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.696 -1.968 -4.166 1.00 0.00 H new ATOM 436 N PHE A 89 -11.421 1.286 -4.731 1.00 0.00 N ATOM 437 CA PHE A 89 -12.023 2.509 -4.212 1.00 0.00 C ATOM 438 C PHE A 89 -11.220 3.734 -4.642 1.00 0.00 C ATOM 439 O PHE A 89 -11.700 4.864 -4.560 1.00 0.00 O ATOM 440 CB PHE A 89 -12.110 2.452 -2.686 1.00 0.00 C ATOM 441 CG PHE A 89 -12.801 1.222 -2.170 1.00 0.00 C ATOM 442 CD1 PHE A 89 -12.084 0.066 -1.911 1.00 0.00 C ATOM 443 CD2 PHE A 89 -14.169 1.223 -1.946 1.00 0.00 C ATOM 444 CE1 PHE A 89 -12.717 -1.068 -1.437 1.00 0.00 C ATOM 445 CE2 PHE A 89 -14.807 0.092 -1.471 1.00 0.00 C ATOM 446 CZ PHE A 89 -14.080 -1.055 -1.217 1.00 0.00 C ATOM 0 H PHE A 89 -10.441 1.158 -4.478 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.029 2.593 -4.623 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.103 2.494 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.640 3.334 -2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -11.018 0.050 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.742 2.116 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.146 -1.963 -1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -15.873 0.105 -1.299 1.00 0.00 H new ATOM 0 HZ PHE A 89 -14.577 -1.940 -0.847 1.00 0.00 H new ATOM 456 N GLY A 90 -9.994 3.500 -5.100 1.00 0.00 N ATOM 457 CA GLY A 90 -9.144 4.593 -5.535 1.00 0.00 C ATOM 458 C GLY A 90 -7.691 4.180 -5.668 1.00 0.00 C ATOM 459 O GLY A 90 -7.256 3.175 -5.105 1.00 0.00 O ATOM 0 H GLY A 90 -9.574 2.574 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.501 4.968 -6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.221 5.415 -4.823 1.00 0.00 H new ATOM 463 N PRO A 91 -6.916 4.966 -6.429 1.00 0.00 N ATOM 464 CA PRO A 91 -5.493 4.696 -6.653 1.00 0.00 C ATOM 465 C PRO A 91 -4.644 4.998 -5.422 1.00 0.00 C ATOM 466 O PRO A 91 -4.716 6.091 -4.860 1.00 0.00 O ATOM 467 CB PRO A 91 -5.128 5.642 -7.799 1.00 0.00 C ATOM 468 CG PRO A 91 -6.090 6.773 -7.677 1.00 0.00 C ATOM 469 CD PRO A 91 -7.369 6.180 -7.129 1.00 0.00 C ATOM 0 HA PRO A 91 -5.308 3.645 -6.875 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.098 5.988 -7.714 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.220 5.147 -8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.702 7.544 -7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.262 7.244 -8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.872 6.869 -6.451 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.075 5.944 -7.925 1.00 0.00 H new ATOM 477 N VAL A 92 -3.841 4.023 -5.009 1.00 0.00 N ATOM 478 CA VAL A 92 -2.978 4.186 -3.845 1.00 0.00 C ATOM 479 C VAL A 92 -1.620 4.752 -4.244 1.00 0.00 C ATOM 480 O VAL A 92 -0.763 4.034 -4.759 1.00 0.00 O ATOM 481 CB VAL A 92 -2.768 2.848 -3.110 1.00 0.00 C ATOM 482 CG1 VAL A 92 -1.640 2.966 -2.097 1.00 0.00 C ATOM 483 CG2 VAL A 92 -4.057 2.404 -2.436 1.00 0.00 C ATOM 0 H VAL A 92 -3.770 3.112 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.478 4.885 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.488 2.091 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.507 2.011 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.717 3.236 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.887 3.736 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.891 1.457 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.369 3.159 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.836 2.277 -3.188 1.00 0.00 H new ATOM 493 N ALA A 93 -1.430 6.045 -4.001 1.00 0.00 N ATOM 494 CA ALA A 93 -0.175 6.708 -4.332 1.00 0.00 C ATOM 495 C ALA A 93 1.021 5.857 -3.920 1.00 0.00 C ATOM 496 O ALA A 93 1.902 5.572 -4.731 1.00 0.00 O ATOM 497 CB ALA A 93 -0.108 8.074 -3.666 1.00 0.00 C ATOM 0 H ALA A 93 -2.129 6.654 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.137 6.841 -5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.835 8.558 -3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.938 8.689 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.173 7.955 -2.584 1.00 0.00 H new ATOM 503 N SER A 94 1.047 5.455 -2.653 1.00 0.00 N ATOM 504 CA SER A 94 2.138 4.639 -2.131 1.00 0.00 C ATOM 505 C SER A 94 1.732 3.960 -0.827 1.00 0.00 C ATOM 506 O SER A 94 0.810 4.403 -0.143 1.00 0.00 O ATOM 507 CB SER A 94 3.382 5.500 -1.906 1.00 0.00 C ATOM 508 OG SER A 94 4.555 4.704 -1.882 1.00 0.00 O ATOM 0 H SER A 94 0.325 5.681 -1.969 1.00 0.00 H new ATOM 0 HA SER A 94 2.367 3.867 -2.866 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.460 6.245 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.287 6.043 -0.965 1.00 0.00 H new ATOM 0 HG SER A 94 5.337 5.277 -1.739 1.00 0.00 H new ATOM 514 N VAL A 95 2.429 2.879 -0.489 1.00 0.00 N ATOM 515 CA VAL A 95 2.143 2.137 0.733 1.00 0.00 C ATOM 516 C VAL A 95 3.397 1.980 1.586 1.00 0.00 C ATOM 517 O VAL A 95 4.262 1.155 1.292 1.00 0.00 O ATOM 518 CB VAL A 95 1.570 0.742 0.422 1.00 0.00 C ATOM 519 CG1 VAL A 95 1.289 -0.019 1.708 1.00 0.00 C ATOM 520 CG2 VAL A 95 0.311 0.861 -0.423 1.00 0.00 C ATOM 0 H VAL A 95 3.195 2.498 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 95 1.400 2.712 1.286 1.00 0.00 H new ATOM 0 HB VAL A 95 2.311 0.182 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.885 -1.002 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.215 -0.135 2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.566 0.534 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.081 -0.134 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.438 1.439 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.548 1.364 -1.361 1.00 0.00 H new ATOM 530 N VAL A 96 3.489 2.778 2.646 1.00 0.00 N ATOM 531 CA VAL A 96 4.636 2.727 3.544 1.00 0.00 C ATOM 532 C VAL A 96 4.355 1.830 4.745 1.00 0.00 C ATOM 533 O VAL A 96 3.685 2.238 5.693 1.00 0.00 O ATOM 534 CB VAL A 96 5.020 4.132 4.045 1.00 0.00 C ATOM 535 CG1 VAL A 96 6.213 4.057 4.985 1.00 0.00 C ATOM 536 CG2 VAL A 96 5.312 5.054 2.871 1.00 0.00 C ATOM 0 H VAL A 96 2.783 3.467 2.903 1.00 0.00 H new ATOM 0 HA VAL A 96 5.467 2.314 2.972 1.00 0.00 H new ATOM 0 HB VAL A 96 4.177 4.544 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.469 5.059 5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.962 3.433 5.843 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.064 3.625 4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.582 6.042 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.138 4.648 2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.426 5.133 2.241 1.00 0.00 H new ATOM 546 N MET A 97 4.872 0.607 4.697 1.00 0.00 N ATOM 547 CA MET A 97 4.678 -0.347 5.782 1.00 0.00 C ATOM 548 C MET A 97 5.972 -0.554 6.563 1.00 0.00 C ATOM 549 O MET A 97 7.047 -0.688 5.977 1.00 0.00 O ATOM 550 CB MET A 97 4.182 -1.685 5.231 1.00 0.00 C ATOM 551 CG MET A 97 5.065 -2.254 4.132 1.00 0.00 C ATOM 552 SD MET A 97 5.033 -4.056 4.078 1.00 0.00 S ATOM 553 CE MET A 97 3.286 -4.356 3.815 1.00 0.00 C ATOM 0 H MET A 97 5.428 0.253 3.919 1.00 0.00 H new ATOM 0 HA MET A 97 3.927 0.060 6.459 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.122 -2.405 6.047 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.171 -1.557 4.844 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.740 -1.860 3.169 1.00 0.00 H new ATOM 0 HG3 MET A 97 6.090 -1.917 4.284 1.00 0.00 H new ATOM 0 HE1 MET A 97 3.159 -5.113 3.041 1.00 0.00 H new ATOM 0 HE2 MET A 97 2.833 -4.706 4.743 1.00 0.00 H new ATOM 0 HE3 MET A 97 2.801 -3.432 3.501 1.00 0.00 H new ATOM 563 N ASP A 98 5.862 -0.577 7.887 1.00 0.00 N ATOM 564 CA ASP A 98 7.024 -0.768 8.747 1.00 0.00 C ATOM 565 C ASP A 98 7.815 -2.002 8.326 1.00 0.00 C ATOM 566 O ASP A 98 7.248 -3.075 8.116 1.00 0.00 O ATOM 567 CB ASP A 98 6.588 -0.900 10.207 1.00 0.00 C ATOM 568 CG ASP A 98 7.737 -0.699 11.175 1.00 0.00 C ATOM 569 OD1 ASP A 98 8.321 0.405 11.181 1.00 0.00 O ATOM 570 OD2 ASP A 98 8.053 -1.646 11.926 1.00 0.00 O ATOM 0 H ASP A 98 4.980 -0.466 8.388 1.00 0.00 H new ATOM 0 HA ASP A 98 7.668 0.106 8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.807 -0.169 10.417 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.152 -1.886 10.365 1.00 0.00 H new ATOM 575 N LYS A 99 9.129 -1.844 8.204 1.00 0.00 N ATOM 576 CA LYS A 99 10.000 -2.944 7.809 1.00 0.00 C ATOM 577 C LYS A 99 10.524 -3.690 9.031 1.00 0.00 C ATOM 578 O LYS A 99 10.652 -4.914 9.016 1.00 0.00 O ATOM 579 CB LYS A 99 11.172 -2.420 6.976 1.00 0.00 C ATOM 580 CG LYS A 99 12.081 -1.471 7.736 1.00 0.00 C ATOM 581 CD LYS A 99 13.160 -0.892 6.836 1.00 0.00 C ATOM 582 CE LYS A 99 13.910 0.240 7.522 1.00 0.00 C ATOM 583 NZ LYS A 99 14.989 -0.271 8.414 1.00 0.00 N ATOM 0 H LYS A 99 9.614 -0.963 8.373 1.00 0.00 H new ATOM 0 HA LYS A 99 9.415 -3.638 7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.760 -3.266 6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.782 -1.909 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.489 -0.662 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 99 12.545 -1.999 8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.862 -1.678 6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.708 -0.525 5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.343 0.898 6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.210 0.839 8.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.477 0.530 8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.573 -0.879 9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.671 -0.821 7.854 1.00 0.00 H new ATOM 597 N ASP A 100 10.825 -2.944 10.089 1.00 0.00 N ATOM 598 CA ASP A 100 11.333 -3.535 11.322 1.00 0.00 C ATOM 599 C ASP A 100 10.493 -4.740 11.733 1.00 0.00 C ATOM 600 O ASP A 100 11.025 -5.812 12.023 1.00 0.00 O ATOM 601 CB ASP A 100 11.342 -2.497 12.444 1.00 0.00 C ATOM 602 CG ASP A 100 12.389 -1.422 12.231 1.00 0.00 C ATOM 603 OD1 ASP A 100 13.587 -1.713 12.428 1.00 0.00 O ATOM 604 OD2 ASP A 100 12.010 -0.289 11.865 1.00 0.00 O ATOM 0 H ASP A 100 10.726 -1.929 10.117 1.00 0.00 H new ATOM 0 HA ASP A 100 12.354 -3.871 11.141 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.358 -2.033 12.513 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.527 -2.996 13.395 1.00 0.00 H new ATOM 609 N LYS A 101 9.177 -4.558 11.757 1.00 0.00 N ATOM 610 CA LYS A 101 8.262 -5.629 12.132 1.00 0.00 C ATOM 611 C LYS A 101 7.120 -5.746 11.128 1.00 0.00 C ATOM 612 O LYS A 101 6.802 -6.838 10.659 1.00 0.00 O ATOM 613 CB LYS A 101 7.700 -5.380 13.533 1.00 0.00 C ATOM 614 CG LYS A 101 8.743 -5.478 14.633 1.00 0.00 C ATOM 615 CD LYS A 101 8.113 -5.841 15.968 1.00 0.00 C ATOM 616 CE LYS A 101 9.079 -5.613 17.120 1.00 0.00 C ATOM 617 NZ LYS A 101 8.383 -5.613 18.436 1.00 0.00 N ATOM 0 H LYS A 101 8.720 -3.677 11.521 1.00 0.00 H new ATOM 0 HA LYS A 101 8.819 -6.566 12.132 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.245 -4.390 13.562 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.907 -6.101 13.731 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.487 -6.228 14.365 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.268 -4.527 14.724 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.214 -5.244 16.122 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.803 -6.886 15.953 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.842 -6.391 17.113 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.592 -4.662 16.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.076 -5.455 19.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.672 -4.854 18.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.914 -6.530 18.581 1.00 0.00 H new ATOM 631 N GLY A 102 6.507 -4.612 10.801 1.00 0.00 N ATOM 632 CA GLY A 102 5.408 -4.610 9.853 1.00 0.00 C ATOM 633 C GLY A 102 4.064 -4.818 10.523 1.00 0.00 C ATOM 634 O GLY A 102 3.316 -5.726 10.161 1.00 0.00 O ATOM 0 H GLY A 102 6.752 -3.695 11.176 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.399 -3.663 9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.568 -5.396 9.114 1.00 0.00 H new ATOM 638 N VAL A 103 3.758 -3.976 11.505 1.00 0.00 N ATOM 639 CA VAL A 103 2.495 -4.073 12.228 1.00 0.00 C ATOM 640 C VAL A 103 1.518 -2.994 11.774 1.00 0.00 C ATOM 641 O VAL A 103 0.343 -3.011 12.142 1.00 0.00 O ATOM 642 CB VAL A 103 2.708 -3.948 13.749 1.00 0.00 C ATOM 643 CG1 VAL A 103 3.227 -5.258 14.324 1.00 0.00 C ATOM 644 CG2 VAL A 103 3.661 -2.805 14.061 1.00 0.00 C ATOM 0 H VAL A 103 4.367 -3.220 11.818 1.00 0.00 H new ATOM 0 HA VAL A 103 2.078 -5.055 12.006 1.00 0.00 H new ATOM 0 HB VAL A 103 1.748 -3.728 14.216 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.372 -5.151 15.399 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.505 -6.051 14.132 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.177 -5.511 13.853 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.800 -2.731 15.140 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.623 -2.992 13.583 1.00 0.00 H new ATOM 0 HG23 VAL A 103 3.245 -1.871 13.684 1.00 0.00 H new ATOM 654 N PHE A 104 2.011 -2.058 10.970 1.00 0.00 N ATOM 655 CA PHE A 104 1.181 -0.971 10.464 1.00 0.00 C ATOM 656 C PHE A 104 1.691 -0.481 9.112 1.00 0.00 C ATOM 657 O PHE A 104 2.858 -0.669 8.772 1.00 0.00 O ATOM 658 CB PHE A 104 1.157 0.188 11.463 1.00 0.00 C ATOM 659 CG PHE A 104 2.398 1.034 11.429 1.00 0.00 C ATOM 660 CD1 PHE A 104 2.530 2.057 10.505 1.00 0.00 C ATOM 661 CD2 PHE A 104 3.433 0.805 12.322 1.00 0.00 C ATOM 662 CE1 PHE A 104 3.671 2.838 10.472 1.00 0.00 C ATOM 663 CE2 PHE A 104 4.575 1.582 12.294 1.00 0.00 C ATOM 664 CZ PHE A 104 4.695 2.599 11.367 1.00 0.00 C ATOM 0 H PHE A 104 2.981 -2.030 10.655 1.00 0.00 H new ATOM 0 HA PHE A 104 0.168 -1.351 10.334 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.292 0.818 11.256 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.027 -0.212 12.469 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.733 2.247 9.802 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.346 0.010 13.048 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.761 3.634 9.747 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.374 1.394 12.997 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.588 3.206 11.342 1.00 0.00 H new ATOM 674 N ALA A 105 0.805 0.147 8.345 1.00 0.00 N ATOM 675 CA ALA A 105 1.165 0.665 7.030 1.00 0.00 C ATOM 676 C ALA A 105 0.369 1.923 6.699 1.00 0.00 C ATOM 677 O ALA A 105 -0.804 2.038 7.057 1.00 0.00 O ATOM 678 CB ALA A 105 0.943 -0.398 5.965 1.00 0.00 C ATOM 0 H ALA A 105 -0.166 0.309 8.611 1.00 0.00 H new ATOM 0 HA ALA A 105 2.222 0.930 7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.216 0.003 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.561 -1.269 6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -0.107 -0.691 5.957 1.00 0.00 H new ATOM 684 N ILE A 106 1.013 2.862 6.016 1.00 0.00 N ATOM 685 CA ILE A 106 0.364 4.111 5.637 1.00 0.00 C ATOM 686 C ILE A 106 -0.002 4.113 4.157 1.00 0.00 C ATOM 687 O ILE A 106 0.862 4.257 3.292 1.00 0.00 O ATOM 688 CB ILE A 106 1.263 5.326 5.933 1.00 0.00 C ATOM 689 CG1 ILE A 106 1.801 5.253 7.364 1.00 0.00 C ATOM 690 CG2 ILE A 106 0.494 6.620 5.716 1.00 0.00 C ATOM 691 CD1 ILE A 106 0.777 5.621 8.414 1.00 0.00 C ATOM 0 H ILE A 106 1.984 2.782 5.713 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.545 4.188 6.234 1.00 0.00 H new ATOM 0 HB ILE A 106 2.109 5.310 5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.160 4.242 7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.659 5.919 7.455 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.143 7.469 5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.156 6.673 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.369 6.647 6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.228 5.547 9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.435 6.642 8.246 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.071 4.939 8.350 1.00 0.00 H new ATOM 703 N VAL A 107 -1.291 3.954 3.871 1.00 0.00 N ATOM 704 CA VAL A 107 -1.773 3.941 2.495 1.00 0.00 C ATOM 705 C VAL A 107 -2.195 5.336 2.047 1.00 0.00 C ATOM 706 O VAL A 107 -3.059 5.960 2.661 1.00 0.00 O ATOM 707 CB VAL A 107 -2.963 2.978 2.327 1.00 0.00 C ATOM 708 CG1 VAL A 107 -3.710 3.272 1.035 1.00 0.00 C ATOM 709 CG2 VAL A 107 -2.488 1.533 2.361 1.00 0.00 C ATOM 0 H VAL A 107 -2.020 3.832 4.574 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.946 3.598 1.873 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.651 3.130 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.547 2.582 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.084 4.296 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.035 3.150 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.342 0.866 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.779 1.364 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.002 1.332 3.316 1.00 0.00 H new ATOM 719 N GLU A 108 -1.579 5.817 0.972 1.00 0.00 N ATOM 720 CA GLU A 108 -1.892 7.139 0.442 1.00 0.00 C ATOM 721 C GLU A 108 -2.748 7.032 -0.817 1.00 0.00 C ATOM 722 O GLU A 108 -2.509 6.182 -1.673 1.00 0.00 O ATOM 723 CB GLU A 108 -0.604 7.906 0.132 1.00 0.00 C ATOM 724 CG GLU A 108 -0.840 9.232 -0.572 1.00 0.00 C ATOM 725 CD GLU A 108 0.451 9.908 -0.991 1.00 0.00 C ATOM 726 OE1 GLU A 108 1.443 9.812 -0.238 1.00 0.00 O ATOM 727 OE2 GLU A 108 0.469 10.532 -2.072 1.00 0.00 O ATOM 0 H GLU A 108 -0.862 5.312 0.452 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.457 7.682 1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.067 8.089 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.039 7.283 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.461 9.066 -1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.396 9.897 0.090 1.00 0.00 H new ATOM 734 N MET A 109 -3.749 7.901 -0.920 1.00 0.00 N ATOM 735 CA MET A 109 -4.641 7.905 -2.073 1.00 0.00 C ATOM 736 C MET A 109 -4.236 8.987 -3.070 1.00 0.00 C ATOM 737 O MET A 109 -3.628 9.990 -2.699 1.00 0.00 O ATOM 738 CB MET A 109 -6.087 8.124 -1.625 1.00 0.00 C ATOM 739 CG MET A 109 -6.603 7.043 -0.688 1.00 0.00 C ATOM 740 SD MET A 109 -6.205 5.380 -1.260 1.00 0.00 S ATOM 741 CE MET A 109 -7.782 4.869 -1.939 1.00 0.00 C ATOM 0 H MET A 109 -3.962 8.611 -0.219 1.00 0.00 H new ATOM 0 HA MET A 109 -4.563 6.935 -2.564 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.162 9.091 -1.127 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.729 8.167 -2.505 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.177 7.194 0.304 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.684 7.140 -0.588 1.00 0.00 H new ATOM 0 HE1 MET A 109 -7.781 3.789 -2.088 1.00 0.00 H new ATOM 0 HE2 MET A 109 -8.580 5.139 -1.248 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.945 5.367 -2.895 1.00 0.00 H new ATOM 751 N GLY A 110 -4.578 8.775 -4.337 1.00 0.00 N ATOM 752 CA GLY A 110 -4.242 9.741 -5.367 1.00 0.00 C ATOM 753 C GLY A 110 -4.953 11.065 -5.175 1.00 0.00 C ATOM 754 O GLY A 110 -4.315 12.092 -4.939 1.00 0.00 O ATOM 0 H GLY A 110 -5.081 7.952 -4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.165 9.907 -5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -4.501 9.331 -6.343 1.00 0.00 H new ATOM 758 N ASP A 111 -6.277 11.044 -5.278 1.00 0.00 N ATOM 759 CA ASP A 111 -7.076 12.253 -5.114 1.00 0.00 C ATOM 760 C ASP A 111 -7.894 12.194 -3.827 1.00 0.00 C ATOM 761 O ASP A 111 -8.038 11.133 -3.219 1.00 0.00 O ATOM 762 CB ASP A 111 -8.005 12.442 -6.314 1.00 0.00 C ATOM 763 CG ASP A 111 -8.569 13.847 -6.394 1.00 0.00 C ATOM 764 OD1 ASP A 111 -7.805 14.774 -6.735 1.00 0.00 O ATOM 765 OD2 ASP A 111 -9.774 14.021 -6.115 1.00 0.00 O ATOM 0 H ASP A 111 -6.820 10.203 -5.474 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.396 13.103 -5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.459 12.220 -7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.826 11.727 -6.251 1.00 0.00 H new ATOM 770 N VAL A 112 -8.425 13.341 -3.417 1.00 0.00 N ATOM 771 CA VAL A 112 -9.228 13.421 -2.202 1.00 0.00 C ATOM 772 C VAL A 112 -10.472 12.547 -2.307 1.00 0.00 C ATOM 773 O VAL A 112 -10.794 11.793 -1.390 1.00 0.00 O ATOM 774 CB VAL A 112 -9.655 14.870 -1.906 1.00 0.00 C ATOM 775 CG1 VAL A 112 -10.384 15.467 -3.100 1.00 0.00 C ATOM 776 CG2 VAL A 112 -10.525 14.924 -0.659 1.00 0.00 C ATOM 0 H VAL A 112 -8.314 14.228 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.603 13.061 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.760 15.464 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.678 16.491 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.725 15.463 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.273 14.874 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.818 15.956 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.417 14.316 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.964 14.539 0.193 1.00 0.00 H new ATOM 786 N GLY A 113 -11.170 12.653 -3.435 1.00 0.00 N ATOM 787 CA GLY A 113 -12.372 11.866 -3.640 1.00 0.00 C ATOM 788 C GLY A 113 -12.153 10.391 -3.366 1.00 0.00 C ATOM 789 O GLY A 113 -13.066 9.694 -2.923 1.00 0.00 O ATOM 0 H GLY A 113 -10.924 13.270 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.163 12.240 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.716 11.995 -4.666 1.00 0.00 H new ATOM 793 N ALA A 114 -10.941 9.915 -3.630 1.00 0.00 N ATOM 794 CA ALA A 114 -10.606 8.514 -3.408 1.00 0.00 C ATOM 795 C ALA A 114 -10.598 8.180 -1.920 1.00 0.00 C ATOM 796 O ALA A 114 -11.195 7.192 -1.492 1.00 0.00 O ATOM 797 CB ALA A 114 -9.256 8.189 -4.031 1.00 0.00 C ATOM 0 H ALA A 114 -10.175 10.479 -3.998 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.371 7.903 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.018 7.139 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.295 8.380 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.487 8.815 -3.579 1.00 0.00 H new ATOM 803 N ARG A 115 -9.917 9.010 -1.136 1.00 0.00 N ATOM 804 CA ARG A 115 -9.830 8.801 0.304 1.00 0.00 C ATOM 805 C ARG A 115 -11.209 8.890 0.951 1.00 0.00 C ATOM 806 O ARG A 115 -11.467 8.256 1.974 1.00 0.00 O ATOM 807 CB ARG A 115 -8.892 9.832 0.935 1.00 0.00 C ATOM 808 CG ARG A 115 -8.808 9.734 2.449 1.00 0.00 C ATOM 809 CD ARG A 115 -8.513 11.086 3.080 1.00 0.00 C ATOM 810 NE ARG A 115 -8.211 10.972 4.504 1.00 0.00 N ATOM 811 CZ ARG A 115 -7.912 12.009 5.277 1.00 0.00 C ATOM 812 NH1 ARG A 115 -7.875 13.232 4.767 1.00 0.00 N ATOM 813 NH2 ARG A 115 -7.649 11.825 6.565 1.00 0.00 N ATOM 0 H ARG A 115 -9.418 9.833 -1.474 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.430 7.802 0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.894 9.707 0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.229 10.832 0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.747 9.345 2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.028 9.024 2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.670 11.549 2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -9.371 11.745 2.943 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.231 10.045 4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.077 13.378 3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -7.645 14.027 5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.676 10.886 6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.419 12.623 7.158 1.00 0.00 H new ATOM 827 N GLU A 116 -12.090 9.681 0.347 1.00 0.00 N ATOM 828 CA GLU A 116 -13.442 9.853 0.866 1.00 0.00 C ATOM 829 C GLU A 116 -14.230 8.549 0.775 1.00 0.00 C ATOM 830 O GLU A 116 -14.862 8.125 1.742 1.00 0.00 O ATOM 831 CB GLU A 116 -14.171 10.956 0.095 1.00 0.00 C ATOM 832 CG GLU A 116 -13.821 12.358 0.564 1.00 0.00 C ATOM 833 CD GLU A 116 -14.695 12.825 1.712 1.00 0.00 C ATOM 834 OE1 GLU A 116 -15.910 12.542 1.686 1.00 0.00 O ATOM 835 OE2 GLU A 116 -14.161 13.473 2.637 1.00 0.00 O ATOM 0 H GLU A 116 -11.892 10.212 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.367 10.140 1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.932 10.866 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.246 10.807 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.776 12.383 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.922 13.052 -0.270 1.00 0.00 H new ATOM 842 N ALA A 117 -14.186 7.918 -0.394 1.00 0.00 N ATOM 843 CA ALA A 117 -14.893 6.662 -0.611 1.00 0.00 C ATOM 844 C ALA A 117 -14.604 5.668 0.509 1.00 0.00 C ATOM 845 O ALA A 117 -15.497 5.304 1.275 1.00 0.00 O ATOM 846 CB ALA A 117 -14.512 6.067 -1.958 1.00 0.00 C ATOM 0 H ALA A 117 -13.668 8.256 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.963 6.872 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -15.048 5.129 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -14.776 6.765 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -13.439 5.879 -1.982 1.00 0.00 H new ATOM 852 N VAL A 118 -13.352 5.233 0.599 1.00 0.00 N ATOM 853 CA VAL A 118 -12.945 4.281 1.626 1.00 0.00 C ATOM 854 C VAL A 118 -13.527 4.656 2.984 1.00 0.00 C ATOM 855 O VAL A 118 -14.244 3.869 3.604 1.00 0.00 O ATOM 856 CB VAL A 118 -11.411 4.201 1.741 1.00 0.00 C ATOM 857 CG1 VAL A 118 -11.009 3.276 2.880 1.00 0.00 C ATOM 858 CG2 VAL A 118 -10.802 3.738 0.427 1.00 0.00 C ATOM 0 H VAL A 118 -12.601 5.525 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.330 3.307 1.325 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.028 5.197 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.922 3.232 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -11.415 3.656 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -11.402 2.277 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.718 3.687 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.190 2.751 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.061 4.443 -0.363 1.00 0.00 H new ATOM 868 N LEU A 119 -13.214 5.863 3.442 1.00 0.00 N ATOM 869 CA LEU A 119 -13.707 6.345 4.729 1.00 0.00 C ATOM 870 C LEU A 119 -15.229 6.265 4.793 1.00 0.00 C ATOM 871 O LEU A 119 -15.812 6.210 5.876 1.00 0.00 O ATOM 872 CB LEU A 119 -13.250 7.785 4.965 1.00 0.00 C ATOM 873 CG LEU A 119 -11.779 7.969 5.342 1.00 0.00 C ATOM 874 CD1 LEU A 119 -11.395 9.440 5.292 1.00 0.00 C ATOM 875 CD2 LEU A 119 -11.506 7.391 6.723 1.00 0.00 C ATOM 0 H LEU A 119 -12.622 6.526 2.942 1.00 0.00 H new ATOM 0 HA LEU A 119 -13.295 5.707 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.447 8.361 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.864 8.215 5.757 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.168 7.431 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.345 9.551 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.552 9.823 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.012 10.001 5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.455 7.531 6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -12.126 7.901 7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.741 6.327 6.725 1.00 0.00 H new ATOM 887 N SER A 120 -15.866 6.257 3.627 1.00 0.00 N ATOM 888 CA SER A 120 -17.320 6.186 3.551 1.00 0.00 C ATOM 889 C SER A 120 -17.780 4.759 3.267 1.00 0.00 C ATOM 890 O SER A 120 -18.830 4.543 2.663 1.00 0.00 O ATOM 891 CB SER A 120 -17.843 7.127 2.464 1.00 0.00 C ATOM 892 OG SER A 120 -18.077 8.425 2.983 1.00 0.00 O ATOM 0 H SER A 120 -15.398 6.299 2.722 1.00 0.00 H new ATOM 0 HA SER A 120 -17.724 6.496 4.515 1.00 0.00 H new ATOM 0 HB2 SER A 120 -17.122 7.182 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 120 -18.767 6.727 2.046 1.00 0.00 H new ATOM 0 HG SER A 120 -18.409 9.008 2.269 1.00 0.00 H new ATOM 898 N GLN A 121 -16.985 3.789 3.709 1.00 0.00 N ATOM 899 CA GLN A 121 -17.310 2.383 3.502 1.00 0.00 C ATOM 900 C GLN A 121 -17.919 1.774 4.760 1.00 0.00 C ATOM 901 O GLN A 121 -17.593 2.176 5.877 1.00 0.00 O ATOM 902 CB GLN A 121 -16.057 1.603 3.098 1.00 0.00 C ATOM 903 CG GLN A 121 -16.346 0.410 2.200 1.00 0.00 C ATOM 904 CD GLN A 121 -15.255 -0.641 2.257 1.00 0.00 C ATOM 905 OE1 GLN A 121 -15.288 -1.541 3.097 1.00 0.00 O ATOM 906 NE2 GLN A 121 -14.281 -0.532 1.362 1.00 0.00 N ATOM 0 H GLN A 121 -16.113 3.951 4.212 1.00 0.00 H new ATOM 0 HA GLN A 121 -18.044 2.320 2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -15.370 2.276 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.550 1.255 3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -17.294 -0.040 2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -16.461 0.753 1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -14.294 0.230 0.684 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -13.519 -1.210 1.352 1.00 0.00 H new ATOM 915 N SER A 122 -18.806 0.802 4.572 1.00 0.00 N ATOM 916 CA SER A 122 -19.465 0.140 5.692 1.00 0.00 C ATOM 917 C SER A 122 -18.445 -0.560 6.585 1.00 0.00 C ATOM 918 O SER A 122 -18.129 -0.085 7.675 1.00 0.00 O ATOM 919 CB SER A 122 -20.493 -0.871 5.182 1.00 0.00 C ATOM 920 OG SER A 122 -20.936 -1.719 6.227 1.00 0.00 O ATOM 0 H SER A 122 -19.085 0.455 3.654 1.00 0.00 H new ATOM 0 HA SER A 122 -19.977 0.901 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 122 -21.344 -0.343 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.054 -1.470 4.385 1.00 0.00 H new ATOM 0 HG SER A 122 -21.594 -2.355 5.876 1.00 0.00 H new ATOM 926 N GLN A 123 -17.934 -1.693 6.113 1.00 0.00 N ATOM 927 CA GLN A 123 -16.951 -2.460 6.868 1.00 0.00 C ATOM 928 C GLN A 123 -15.770 -2.850 5.985 1.00 0.00 C ATOM 929 O GLN A 123 -15.949 -3.274 4.843 1.00 0.00 O ATOM 930 CB GLN A 123 -17.596 -3.714 7.460 1.00 0.00 C ATOM 931 CG GLN A 123 -17.942 -4.768 6.422 1.00 0.00 C ATOM 932 CD GLN A 123 -18.926 -5.798 6.941 1.00 0.00 C ATOM 933 OE1 GLN A 123 -18.535 -6.881 7.380 1.00 0.00 O ATOM 934 NE2 GLN A 123 -20.211 -5.466 6.895 1.00 0.00 N ATOM 0 H GLN A 123 -18.185 -2.099 5.212 1.00 0.00 H new ATOM 0 HA GLN A 123 -16.583 -1.832 7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -16.918 -4.149 8.195 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -18.503 -3.429 7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -18.362 -4.281 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -17.029 -5.271 6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -20.490 -4.558 6.523 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -20.919 -6.119 7.231 1.00 0.00 H new ATOM 943 N HIS A 124 -14.562 -2.704 6.522 1.00 0.00 N ATOM 944 CA HIS A 124 -13.351 -3.042 5.782 1.00 0.00 C ATOM 945 C HIS A 124 -12.861 -4.439 6.151 1.00 0.00 C ATOM 946 O HIS A 124 -12.629 -4.736 7.323 1.00 0.00 O ATOM 947 CB HIS A 124 -12.255 -2.013 6.061 1.00 0.00 C ATOM 948 CG HIS A 124 -12.558 -0.652 5.516 1.00 0.00 C ATOM 949 ND1 HIS A 124 -12.869 -0.423 4.192 1.00 0.00 N ATOM 950 CD2 HIS A 124 -12.598 0.557 6.124 1.00 0.00 C ATOM 951 CE1 HIS A 124 -13.085 0.867 4.009 1.00 0.00 C ATOM 952 NE2 HIS A 124 -12.928 1.484 5.167 1.00 0.00 N ATOM 0 H HIS A 124 -14.396 -2.354 7.466 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.588 -3.029 4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -12.104 -1.939 7.138 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -11.318 -2.367 5.631 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -12.406 0.755 7.168 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -13.346 1.338 3.072 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -13.035 2.486 5.324 1.00 0.00 H new ATOM 960 N SER A 125 -12.707 -5.292 5.144 1.00 0.00 N ATOM 961 CA SER A 125 -12.249 -6.659 5.363 1.00 0.00 C ATOM 962 C SER A 125 -11.560 -7.207 4.117 1.00 0.00 C ATOM 963 O SER A 125 -12.152 -7.262 3.039 1.00 0.00 O ATOM 964 CB SER A 125 -13.426 -7.558 5.746 1.00 0.00 C ATOM 965 OG SER A 125 -14.424 -7.548 4.740 1.00 0.00 O ATOM 0 H SER A 125 -12.893 -5.061 4.168 1.00 0.00 H new ATOM 0 HA SER A 125 -11.528 -6.648 6.180 1.00 0.00 H new ATOM 0 HB2 SER A 125 -13.073 -8.577 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 125 -13.853 -7.220 6.690 1.00 0.00 H new ATOM 0 HG SER A 125 -14.002 -7.450 3.861 1.00 0.00 H new ATOM 971 N LEU A 126 -10.305 -7.612 4.274 1.00 0.00 N ATOM 972 CA LEU A 126 -9.532 -8.157 3.162 1.00 0.00 C ATOM 973 C LEU A 126 -9.705 -9.670 3.069 1.00 0.00 C ATOM 974 O LEU A 126 -9.290 -10.408 3.961 1.00 0.00 O ATOM 975 CB LEU A 126 -8.051 -7.811 3.326 1.00 0.00 C ATOM 976 CG LEU A 126 -7.134 -8.224 2.175 1.00 0.00 C ATOM 977 CD1 LEU A 126 -7.287 -7.269 1.001 1.00 0.00 C ATOM 978 CD2 LEU A 126 -5.686 -8.274 2.639 1.00 0.00 C ATOM 0 H LEU A 126 -9.800 -7.574 5.160 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.903 -7.710 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.963 -6.733 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.688 -8.281 4.240 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.424 -9.222 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.626 -7.579 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.320 -7.283 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.025 -6.259 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.047 -8.570 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.384 -7.289 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.588 -8.999 3.447 1.00 0.00 H new ATOM 990 N GLY A 127 -10.319 -10.125 1.981 1.00 0.00 N ATOM 991 CA GLY A 127 -10.534 -11.547 1.790 1.00 0.00 C ATOM 992 C GLY A 127 -11.339 -12.168 2.913 1.00 0.00 C ATOM 993 O GLY A 127 -12.567 -12.085 2.926 1.00 0.00 O ATOM 0 H GLY A 127 -10.671 -9.534 1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -11.051 -11.709 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -9.570 -12.050 1.717 1.00 0.00 H new ATOM 997 N GLY A 128 -10.647 -12.793 3.861 1.00 0.00 N ATOM 998 CA GLY A 128 -11.323 -13.423 4.980 1.00 0.00 C ATOM 999 C GLY A 128 -10.740 -13.010 6.317 1.00 0.00 C ATOM 1000 O GLY A 128 -10.726 -13.795 7.266 1.00 0.00 O ATOM 0 H GLY A 128 -9.630 -12.874 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -12.382 -13.164 4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.257 -14.506 4.877 1.00 0.00 H new ATOM 1004 N HIS A 129 -10.254 -11.775 6.392 1.00 0.00 N ATOM 1005 CA HIS A 129 -9.666 -11.259 7.623 1.00 0.00 C ATOM 1006 C HIS A 129 -10.287 -9.918 8.002 1.00 0.00 C ATOM 1007 O HIS A 129 -11.202 -9.436 7.334 1.00 0.00 O ATOM 1008 CB HIS A 129 -8.152 -11.106 7.465 1.00 0.00 C ATOM 1009 CG HIS A 129 -7.402 -12.394 7.611 1.00 0.00 C ATOM 1010 ND1 HIS A 129 -6.100 -12.559 7.189 1.00 0.00 N ATOM 1011 CD2 HIS A 129 -7.778 -13.583 8.138 1.00 0.00 C ATOM 1012 CE1 HIS A 129 -5.708 -13.793 7.449 1.00 0.00 C ATOM 1013 NE2 HIS A 129 -6.708 -14.436 8.025 1.00 0.00 N ATOM 0 H HIS A 129 -10.256 -11.114 5.616 1.00 0.00 H new ATOM 0 HA HIS A 129 -9.871 -11.973 8.421 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -7.938 -10.680 6.485 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -7.787 -10.396 8.208 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -8.741 -13.817 8.568 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -4.735 -14.206 7.228 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -6.688 -15.408 8.335 1.00 0.00 H new ATOM 1021 N ARG A 130 -9.784 -9.321 9.078 1.00 0.00 N ATOM 1022 CA ARG A 130 -10.291 -8.037 9.547 1.00 0.00 C ATOM 1023 C ARG A 130 -9.169 -7.007 9.629 1.00 0.00 C ATOM 1024 O ARG A 130 -8.085 -7.293 10.140 1.00 0.00 O ATOM 1025 CB ARG A 130 -10.954 -8.196 10.916 1.00 0.00 C ATOM 1026 CG ARG A 130 -12.336 -8.826 10.855 1.00 0.00 C ATOM 1027 CD ARG A 130 -12.977 -8.898 12.232 1.00 0.00 C ATOM 1028 NE ARG A 130 -14.305 -9.504 12.186 1.00 0.00 N ATOM 1029 CZ ARG A 130 -15.086 -9.643 13.251 1.00 0.00 C ATOM 1030 NH1 ARG A 130 -14.675 -9.221 14.439 1.00 0.00 N ATOM 1031 NH2 ARG A 130 -16.282 -10.204 13.130 1.00 0.00 N ATOM 0 H ARG A 130 -9.026 -9.706 9.641 1.00 0.00 H new ATOM 0 HA ARG A 130 -11.033 -7.684 8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.313 -8.807 11.552 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -11.031 -7.217 11.389 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -12.972 -8.246 10.186 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -12.262 -9.829 10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.338 -9.476 12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -13.051 -7.894 12.651 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.651 -9.839 11.287 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -13.757 -8.788 14.537 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -15.277 -9.329 15.255 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -16.603 -10.529 12.218 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -16.881 -10.310 13.949 1.00 0.00 H new ATOM 1045 N LEU A 131 -9.435 -5.808 9.123 1.00 0.00 N ATOM 1046 CA LEU A 131 -8.448 -4.734 9.138 1.00 0.00 C ATOM 1047 C LEU A 131 -8.955 -3.539 9.939 1.00 0.00 C ATOM 1048 O LEU A 131 -10.145 -3.441 10.240 1.00 0.00 O ATOM 1049 CB LEU A 131 -8.115 -4.300 7.710 1.00 0.00 C ATOM 1050 CG LEU A 131 -7.427 -5.347 6.833 1.00 0.00 C ATOM 1051 CD1 LEU A 131 -7.466 -4.929 5.371 1.00 0.00 C ATOM 1052 CD2 LEU A 131 -5.992 -5.565 7.289 1.00 0.00 C ATOM 0 H LEU A 131 -10.327 -5.555 8.697 1.00 0.00 H new ATOM 0 HA LEU A 131 -7.544 -5.112 9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -9.039 -3.995 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -7.475 -3.419 7.759 1.00 0.00 H new ATOM 0 HG LEU A 131 -7.967 -6.289 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -6.972 -5.686 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -8.502 -4.825 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.952 -3.975 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -5.518 -6.313 6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.441 -4.627 7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -5.987 -5.911 8.323 1.00 0.00 H new ATOM 1064 N ARG A 132 -8.046 -2.633 10.280 1.00 0.00 N ATOM 1065 CA ARG A 132 -8.401 -1.444 11.046 1.00 0.00 C ATOM 1066 C ARG A 132 -7.900 -0.180 10.352 1.00 0.00 C ATOM 1067 O ARG A 132 -6.822 0.326 10.663 1.00 0.00 O ATOM 1068 CB ARG A 132 -7.819 -1.528 12.458 1.00 0.00 C ATOM 1069 CG ARG A 132 -8.425 -2.638 13.301 1.00 0.00 C ATOM 1070 CD ARG A 132 -7.644 -2.848 14.589 1.00 0.00 C ATOM 1071 NE ARG A 132 -6.335 -3.449 14.344 1.00 0.00 N ATOM 1072 CZ ARG A 132 -5.388 -3.549 15.270 1.00 0.00 C ATOM 1073 NH1 ARG A 132 -5.604 -3.092 16.496 1.00 0.00 N ATOM 1074 NH2 ARG A 132 -4.223 -4.109 14.971 1.00 0.00 N ATOM 0 H ARG A 132 -7.057 -2.699 10.038 1.00 0.00 H new ATOM 0 HA ARG A 132 -9.488 -1.396 11.111 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -6.742 -1.682 12.389 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -7.973 -0.574 12.963 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -9.460 -2.393 13.538 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -8.440 -3.565 12.728 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -7.515 -1.891 15.095 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -8.217 -3.488 15.260 1.00 0.00 H new ATOM 0 HE ARG A 132 -6.138 -3.811 13.411 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -6.499 -2.662 16.730 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -4.875 -3.170 17.205 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -4.054 -4.463 14.029 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -3.496 -4.185 15.683 1.00 0.00 H new ATOM 1088 N VAL A 133 -8.690 0.324 9.409 1.00 0.00 N ATOM 1089 CA VAL A 133 -8.327 1.528 8.671 1.00 0.00 C ATOM 1090 C VAL A 133 -8.950 2.768 9.302 1.00 0.00 C ATOM 1091 O VAL A 133 -10.172 2.916 9.328 1.00 0.00 O ATOM 1092 CB VAL A 133 -8.769 1.438 7.198 1.00 0.00 C ATOM 1093 CG1 VAL A 133 -8.126 2.547 6.379 1.00 0.00 C ATOM 1094 CG2 VAL A 133 -8.428 0.072 6.622 1.00 0.00 C ATOM 0 H VAL A 133 -9.585 -0.083 9.138 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.241 1.609 8.713 1.00 0.00 H new ATOM 0 HB VAL A 133 -9.851 1.566 7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -8.450 2.467 5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -8.426 3.516 6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.041 2.454 6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.747 0.026 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.351 -0.088 6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.941 -0.702 7.193 1.00 0.00 H new ATOM 1104 N ARG A 134 -8.102 3.656 9.811 1.00 0.00 N ATOM 1105 CA ARG A 134 -8.570 4.883 10.443 1.00 0.00 C ATOM 1106 C ARG A 134 -7.943 6.108 9.783 1.00 0.00 C ATOM 1107 O ARG A 134 -6.846 6.050 9.226 1.00 0.00 O ATOM 1108 CB ARG A 134 -8.239 4.871 11.936 1.00 0.00 C ATOM 1109 CG ARG A 134 -6.753 4.987 12.232 1.00 0.00 C ATOM 1110 CD ARG A 134 -6.486 5.049 13.728 1.00 0.00 C ATOM 1111 NE ARG A 134 -6.483 3.723 14.339 1.00 0.00 N ATOM 1112 CZ ARG A 134 -6.621 3.514 15.644 1.00 0.00 C ATOM 1113 NH1 ARG A 134 -6.773 4.540 16.470 1.00 0.00 N ATOM 1114 NH2 ARG A 134 -6.609 2.278 16.124 1.00 0.00 N ATOM 0 H ARG A 134 -7.088 3.548 9.798 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.651 4.937 10.317 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.763 5.694 12.422 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.617 3.948 12.376 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.228 4.134 11.803 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -6.354 5.881 11.753 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -5.525 5.532 13.905 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.246 5.667 14.206 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.369 2.912 13.731 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -6.784 5.492 16.104 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -6.879 4.377 17.471 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -6.494 1.486 15.491 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -6.715 2.119 17.126 1.00 0.00 H new ATOM 1128 N PRO A 135 -8.654 7.243 9.845 1.00 0.00 N ATOM 1129 CA PRO A 135 -8.187 8.503 9.258 1.00 0.00 C ATOM 1130 C PRO A 135 -6.735 8.804 9.613 1.00 0.00 C ATOM 1131 O PRO A 135 -6.240 8.378 10.656 1.00 0.00 O ATOM 1132 CB PRO A 135 -9.117 9.549 9.878 1.00 0.00 C ATOM 1133 CG PRO A 135 -10.374 8.808 10.179 1.00 0.00 C ATOM 1134 CD PRO A 135 -9.969 7.385 10.493 1.00 0.00 C ATOM 0 HA PRO A 135 -8.215 8.481 8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -8.684 9.977 10.782 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -9.299 10.374 9.190 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -10.897 9.258 11.023 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -11.056 8.839 9.329 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -9.906 7.215 11.568 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -10.689 6.668 10.099 1.00 0.00 H new ATOM 1142 N ARG A 136 -6.058 9.541 8.738 1.00 0.00 N ATOM 1143 CA ARG A 136 -4.662 9.899 8.959 1.00 0.00 C ATOM 1144 C ARG A 136 -4.552 11.200 9.748 1.00 0.00 C ATOM 1145 O ARG A 136 -5.560 11.827 10.072 1.00 0.00 O ATOM 1146 CB ARG A 136 -3.931 10.037 7.622 1.00 0.00 C ATOM 1147 CG ARG A 136 -3.323 8.736 7.123 1.00 0.00 C ATOM 1148 CD ARG A 136 -1.931 8.517 7.694 1.00 0.00 C ATOM 1149 NE ARG A 136 -1.969 8.178 9.114 1.00 0.00 N ATOM 1150 CZ ARG A 136 -0.936 8.335 9.935 1.00 0.00 C ATOM 1151 NH1 ARG A 136 0.209 8.823 9.479 1.00 0.00 N ATOM 1152 NH2 ARG A 136 -1.048 8.003 11.215 1.00 0.00 N ATOM 0 H ARG A 136 -6.454 9.902 7.870 1.00 0.00 H new ATOM 0 HA ARG A 136 -4.197 9.102 9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.628 10.413 6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -3.141 10.781 7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -3.967 7.902 7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -3.273 8.751 6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.435 7.717 7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.335 9.419 7.552 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.836 7.800 9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.299 9.079 8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 136 1.000 8.943 10.111 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.927 7.627 11.569 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.255 8.124 11.845 1.00 0.00 H new