USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=10 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= -3.68! C(o=-7!,f=-9!) USER MOD Set 1.2: A 124 HIS : no HD1:sc= -3.35 K(o=-7,f=-7.9!) USER MOD Single : A 67 SER OG : rot 160:sc= -0.103 USER MOD Single : A 71 SER OG : rot -120:sc= 0.518 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot -38:sc= 0.593 USER MOD Single : A 85 TYR OH : rot 40:sc= 0.336 USER MOD Single : A 94 SER OG : rot 66:sc= 1.23 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) 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 -138:sc= -0.165 (180deg=-1.79!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -2.12 K(o=-2.1,f=-10!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.037 X(o=-0.037,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 85 N ARG A 66 -4.334 13.689 2.357 1.00 0.00 N ATOM 86 CA ARG A 66 -4.949 12.670 1.515 1.00 0.00 C ATOM 87 C ARG A 66 -4.282 11.314 1.727 1.00 0.00 C ATOM 88 O ARG A 66 -3.570 10.817 0.854 1.00 0.00 O ATOM 89 CB ARG A 66 -4.855 13.071 0.041 1.00 0.00 C ATOM 90 CG ARG A 66 -5.609 14.348 -0.291 1.00 0.00 C ATOM 91 CD ARG A 66 -5.246 14.865 -1.675 1.00 0.00 C ATOM 92 NE ARG A 66 -5.540 16.288 -1.822 1.00 0.00 N ATOM 93 CZ ARG A 66 -4.736 17.254 -1.390 1.00 0.00 C ATOM 94 NH1 ARG A 66 -3.595 16.950 -0.787 1.00 0.00 N ATOM 95 NH2 ARG A 66 -5.073 18.525 -1.561 1.00 0.00 N ATOM 0 HA ARG A 66 -5.999 12.587 1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.806 13.198 -0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.244 12.259 -0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.682 14.162 -0.241 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.382 15.110 0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.186 14.693 -1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.796 14.301 -2.428 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.410 16.555 -2.282 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.333 15.973 -0.654 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.979 17.693 -0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.950 18.762 -2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.455 19.266 -1.229 1.00 0.00 H new ATOM 109 N SER A 67 -4.517 10.721 2.893 1.00 0.00 N ATOM 110 CA SER A 67 -3.937 9.424 3.222 1.00 0.00 C ATOM 111 C SER A 67 -4.836 8.655 4.185 1.00 0.00 C ATOM 112 O SER A 67 -5.840 9.179 4.668 1.00 0.00 O ATOM 113 CB SER A 67 -2.548 9.606 3.838 1.00 0.00 C ATOM 114 OG SER A 67 -1.893 8.359 3.995 1.00 0.00 O ATOM 0 H SER A 67 -5.105 11.118 3.626 1.00 0.00 H new ATOM 0 HA SER A 67 -3.846 8.849 2.300 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.948 10.258 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.638 10.098 4.807 1.00 0.00 H new ATOM 0 HG SER A 67 -0.927 8.505 4.078 1.00 0.00 H new ATOM 120 N VAL A 68 -4.468 7.407 4.459 1.00 0.00 N ATOM 121 CA VAL A 68 -5.239 6.564 5.364 1.00 0.00 C ATOM 122 C VAL A 68 -4.335 5.595 6.117 1.00 0.00 C ATOM 123 O VAL A 68 -3.386 5.049 5.554 1.00 0.00 O ATOM 124 CB VAL A 68 -6.315 5.763 4.606 1.00 0.00 C ATOM 125 CG1 VAL A 68 -7.471 6.667 4.206 1.00 0.00 C ATOM 126 CG2 VAL A 68 -5.711 5.084 3.386 1.00 0.00 C ATOM 0 H VAL A 68 -3.640 6.958 4.067 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.727 7.229 6.077 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.703 4.990 5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.221 6.084 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.919 7.102 5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.103 7.464 3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.484 4.522 2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.295 5.838 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.920 4.404 3.702 1.00 0.00 H new ATOM 136 N PHE A 69 -4.636 5.383 7.394 1.00 0.00 N ATOM 137 CA PHE A 69 -3.850 4.479 8.225 1.00 0.00 C ATOM 138 C PHE A 69 -4.419 3.064 8.177 1.00 0.00 C ATOM 139 O PHE A 69 -5.547 2.821 8.605 1.00 0.00 O ATOM 140 CB PHE A 69 -3.819 4.979 9.671 1.00 0.00 C ATOM 141 CG PHE A 69 -3.173 4.015 10.625 1.00 0.00 C ATOM 142 CD1 PHE A 69 -1.793 3.919 10.704 1.00 0.00 C ATOM 143 CD2 PHE A 69 -3.946 3.206 11.442 1.00 0.00 C ATOM 144 CE1 PHE A 69 -1.196 3.032 11.581 1.00 0.00 C ATOM 145 CE2 PHE A 69 -3.355 2.318 12.321 1.00 0.00 C ATOM 146 CZ PHE A 69 -1.978 2.231 12.391 1.00 0.00 C ATOM 0 H PHE A 69 -5.419 5.825 7.876 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.833 4.457 7.833 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.284 5.928 9.708 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.839 5.176 10.001 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.177 4.544 10.074 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.023 3.270 11.391 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.119 2.965 11.633 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.969 1.693 12.952 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.514 1.538 13.077 1.00 0.00 H new ATOM 156 N VAL A 70 -3.628 2.133 7.653 1.00 0.00 N ATOM 157 CA VAL A 70 -4.051 0.741 7.548 1.00 0.00 C ATOM 158 C VAL A 70 -3.168 -0.167 8.398 1.00 0.00 C ATOM 159 O VAL A 70 -1.941 -0.090 8.337 1.00 0.00 O ATOM 160 CB VAL A 70 -4.017 0.252 6.088 1.00 0.00 C ATOM 161 CG1 VAL A 70 -4.387 -1.221 6.010 1.00 0.00 C ATOM 162 CG2 VAL A 70 -4.946 1.091 5.224 1.00 0.00 C ATOM 0 H VAL A 70 -2.691 2.317 7.295 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.076 0.693 7.915 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.002 0.367 5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.358 -1.549 4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.677 -1.806 6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.391 -1.365 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.910 0.732 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.966 1.010 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.629 2.134 5.256 1.00 0.00 H new ATOM 172 N SER A 71 -3.801 -1.026 9.190 1.00 0.00 N ATOM 173 CA SER A 71 -3.074 -1.947 10.055 1.00 0.00 C ATOM 174 C SER A 71 -3.954 -3.127 10.454 1.00 0.00 C ATOM 175 O SER A 71 -5.169 -3.104 10.261 1.00 0.00 O ATOM 176 CB SER A 71 -2.578 -1.220 11.307 1.00 0.00 C ATOM 177 OG SER A 71 -3.642 -0.976 12.210 1.00 0.00 O ATOM 0 H SER A 71 -4.816 -1.103 9.250 1.00 0.00 H new ATOM 0 HA SER A 71 -2.216 -2.327 9.500 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.810 -1.818 11.798 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.114 -0.275 11.023 1.00 0.00 H new ATOM 0 HG SER A 71 -3.727 -0.012 12.363 1.00 0.00 H new ATOM 183 N GLY A 72 -3.330 -4.161 11.012 1.00 0.00 N ATOM 184 CA GLY A 72 -4.071 -5.337 11.429 1.00 0.00 C ATOM 185 C GLY A 72 -4.073 -6.425 10.374 1.00 0.00 C ATOM 186 O GLY A 72 -4.943 -7.297 10.372 1.00 0.00 O ATOM 0 H GLY A 72 -2.325 -4.205 11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.637 -5.728 12.349 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.099 -5.054 11.656 1.00 0.00 H new ATOM 190 N PHE A 73 -3.098 -6.375 9.472 1.00 0.00 N ATOM 191 CA PHE A 73 -2.993 -7.363 8.405 1.00 0.00 C ATOM 192 C PHE A 73 -2.137 -8.548 8.843 1.00 0.00 C ATOM 193 O PHE A 73 -1.281 -8.437 9.720 1.00 0.00 O ATOM 194 CB PHE A 73 -2.396 -6.726 7.148 1.00 0.00 C ATOM 195 CG PHE A 73 -1.182 -5.884 7.422 1.00 0.00 C ATOM 196 CD1 PHE A 73 0.065 -6.470 7.568 1.00 0.00 C ATOM 197 CD2 PHE A 73 -1.289 -4.507 7.533 1.00 0.00 C ATOM 198 CE1 PHE A 73 1.183 -5.697 7.820 1.00 0.00 C ATOM 199 CE2 PHE A 73 -0.174 -3.729 7.785 1.00 0.00 C ATOM 200 CZ PHE A 73 1.063 -4.325 7.928 1.00 0.00 C ATOM 0 H PHE A 73 -2.370 -5.661 9.459 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.996 -7.725 8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.131 -7.513 6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.155 -6.109 6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.165 -7.542 7.484 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.254 -4.036 7.421 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.150 -6.165 7.932 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.271 -2.657 7.870 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.936 -3.720 8.124 1.00 0.00 H new ATOM 210 N PRO A 74 -2.374 -9.711 8.218 1.00 0.00 N ATOM 211 CA PRO A 74 -1.636 -10.940 8.526 1.00 0.00 C ATOM 212 C PRO A 74 -0.237 -10.943 7.920 1.00 0.00 C ATOM 213 O PRO A 74 0.106 -10.072 7.121 1.00 0.00 O ATOM 214 CB PRO A 74 -2.496 -12.038 7.894 1.00 0.00 C ATOM 215 CG PRO A 74 -3.200 -11.365 6.767 1.00 0.00 C ATOM 216 CD PRO A 74 -3.380 -9.916 7.162 1.00 0.00 C ATOM 0 HA PRO A 74 -1.481 -11.065 9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.883 -12.867 7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.204 -12.450 8.613 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.621 -11.445 5.847 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.165 -11.836 6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.215 -9.248 6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.389 -9.724 7.528 1.00 0.00 H new ATOM 224 N ARG A 75 0.567 -11.929 8.305 1.00 0.00 N ATOM 225 CA ARG A 75 1.930 -12.045 7.799 1.00 0.00 C ATOM 226 C ARG A 75 1.936 -12.582 6.371 1.00 0.00 C ATOM 227 O ARG A 75 1.301 -13.593 6.074 1.00 0.00 O ATOM 228 CB ARG A 75 2.755 -12.962 8.704 1.00 0.00 C ATOM 229 CG ARG A 75 3.060 -12.360 10.066 1.00 0.00 C ATOM 230 CD ARG A 75 3.917 -13.293 10.908 1.00 0.00 C ATOM 231 NE ARG A 75 3.125 -14.349 11.533 1.00 0.00 N ATOM 232 CZ ARG A 75 2.368 -14.161 12.608 1.00 0.00 C ATOM 233 NH1 ARG A 75 2.299 -12.964 13.174 1.00 0.00 N ATOM 234 NH2 ARG A 75 1.676 -15.172 13.119 1.00 0.00 N ATOM 0 H ARG A 75 0.298 -12.659 8.965 1.00 0.00 H new ATOM 0 HA ARG A 75 2.376 -11.051 7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.218 -13.900 8.843 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.693 -13.203 8.204 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.575 -11.408 9.937 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.127 -12.150 10.589 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.688 -13.741 10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.428 -12.718 11.680 1.00 0.00 H new ATOM 0 HE ARG A 75 3.155 -15.282 11.121 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.828 -12.184 12.784 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.717 -12.823 13.999 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.725 -16.094 12.686 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.095 -15.027 13.945 1.00 0.00 H new ATOM 248 N GLY A 76 2.658 -11.897 5.490 1.00 0.00 N ATOM 249 CA GLY A 76 2.733 -12.319 4.103 1.00 0.00 C ATOM 250 C GLY A 76 2.241 -11.252 3.145 1.00 0.00 C ATOM 251 O GLY A 76 2.776 -11.100 2.047 1.00 0.00 O ATOM 0 H GLY A 76 3.193 -11.057 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.764 -12.574 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.141 -13.224 3.969 1.00 0.00 H new ATOM 255 N VAL A 77 1.217 -10.513 3.559 1.00 0.00 N ATOM 256 CA VAL A 77 0.652 -9.456 2.730 1.00 0.00 C ATOM 257 C VAL A 77 1.729 -8.476 2.279 1.00 0.00 C ATOM 258 O VAL A 77 2.549 -8.027 3.080 1.00 0.00 O ATOM 259 CB VAL A 77 -0.449 -8.682 3.479 1.00 0.00 C ATOM 260 CG1 VAL A 77 -1.152 -7.712 2.542 1.00 0.00 C ATOM 261 CG2 VAL A 77 -1.444 -9.646 4.107 1.00 0.00 C ATOM 0 H VAL A 77 0.762 -10.627 4.465 1.00 0.00 H new ATOM 0 HA VAL A 77 0.215 -9.939 1.856 1.00 0.00 H new ATOM 0 HB VAL A 77 0.016 -8.104 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.926 -7.174 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.428 -7.001 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.606 -8.265 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.215 -9.082 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.905 -10.252 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.926 -10.296 4.812 1.00 0.00 H new ATOM 271 N ASP A 78 1.722 -8.148 0.992 1.00 0.00 N ATOM 272 CA ASP A 78 2.698 -7.219 0.433 1.00 0.00 C ATOM 273 C ASP A 78 2.018 -5.943 -0.052 1.00 0.00 C ATOM 274 O ASP A 78 0.854 -5.962 -0.453 1.00 0.00 O ATOM 275 CB ASP A 78 3.458 -7.877 -0.720 1.00 0.00 C ATOM 276 CG ASP A 78 4.239 -9.098 -0.276 1.00 0.00 C ATOM 277 OD1 ASP A 78 5.208 -8.935 0.494 1.00 0.00 O ATOM 278 OD2 ASP A 78 3.880 -10.217 -0.699 1.00 0.00 O ATOM 0 H ASP A 78 1.051 -8.512 0.315 1.00 0.00 H new ATOM 0 HA ASP A 78 3.405 -6.956 1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.752 -8.164 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.142 -7.152 -1.161 1.00 0.00 H new ATOM 283 N SER A 79 2.751 -4.835 -0.011 1.00 0.00 N ATOM 284 CA SER A 79 2.218 -3.549 -0.442 1.00 0.00 C ATOM 285 C SER A 79 1.531 -3.672 -1.799 1.00 0.00 C ATOM 286 O SER A 79 0.573 -2.956 -2.089 1.00 0.00 O ATOM 287 CB SER A 79 3.336 -2.508 -0.517 1.00 0.00 C ATOM 288 OG SER A 79 4.338 -2.901 -1.439 1.00 0.00 O ATOM 0 H SER A 79 3.716 -4.803 0.317 1.00 0.00 H new ATOM 0 HA SER A 79 1.480 -3.226 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.921 -1.545 -0.815 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.778 -2.373 0.470 1.00 0.00 H new ATOM 0 HG SER A 79 5.040 -2.218 -1.470 1.00 0.00 H new ATOM 294 N ALA A 80 2.028 -4.587 -2.625 1.00 0.00 N ATOM 295 CA ALA A 80 1.462 -4.806 -3.950 1.00 0.00 C ATOM 296 C ALA A 80 0.023 -5.304 -3.857 1.00 0.00 C ATOM 297 O ALA A 80 -0.871 -4.770 -4.513 1.00 0.00 O ATOM 298 CB ALA A 80 2.314 -5.795 -4.731 1.00 0.00 C ATOM 0 H ALA A 80 2.821 -5.188 -2.400 1.00 0.00 H new ATOM 0 HA ALA A 80 1.456 -3.852 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.879 -5.949 -5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.325 -5.401 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.349 -6.745 -4.198 1.00 0.00 H new ATOM 304 N GLN A 81 -0.192 -6.328 -3.039 1.00 0.00 N ATOM 305 CA GLN A 81 -1.523 -6.898 -2.862 1.00 0.00 C ATOM 306 C GLN A 81 -2.489 -5.860 -2.301 1.00 0.00 C ATOM 307 O GLN A 81 -3.608 -5.709 -2.792 1.00 0.00 O ATOM 308 CB GLN A 81 -1.462 -8.111 -1.932 1.00 0.00 C ATOM 309 CG GLN A 81 -0.762 -9.313 -2.545 1.00 0.00 C ATOM 310 CD GLN A 81 -1.285 -10.630 -2.006 1.00 0.00 C ATOM 311 OE1 GLN A 81 -2.075 -11.312 -2.660 1.00 0.00 O ATOM 312 NE2 GLN A 81 -0.846 -10.996 -0.807 1.00 0.00 N ATOM 0 H GLN A 81 0.538 -6.780 -2.488 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.887 -7.216 -3.839 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.946 -7.829 -1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.476 -8.395 -1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.891 -9.291 -3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.308 -9.244 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.192 -10.400 -0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.163 -11.873 -0.394 1.00 0.00 H new ATOM 321 N LEU A 82 -2.050 -5.147 -1.269 1.00 0.00 N ATOM 322 CA LEU A 82 -2.877 -4.123 -0.640 1.00 0.00 C ATOM 323 C LEU A 82 -3.383 -3.122 -1.674 1.00 0.00 C ATOM 324 O LEU A 82 -4.587 -2.897 -1.797 1.00 0.00 O ATOM 325 CB LEU A 82 -2.082 -3.395 0.445 1.00 0.00 C ATOM 326 CG LEU A 82 -1.935 -4.131 1.777 1.00 0.00 C ATOM 327 CD1 LEU A 82 -0.799 -3.534 2.594 1.00 0.00 C ATOM 328 CD2 LEU A 82 -3.239 -4.084 2.560 1.00 0.00 C ATOM 0 H LEU A 82 -1.127 -5.259 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.737 -4.613 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.085 -3.184 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.560 -2.434 0.635 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.697 -5.174 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.709 -4.070 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.134 -3.621 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.007 -2.483 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.115 -4.613 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.508 -3.046 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.030 -4.559 1.979 1.00 0.00 H new ATOM 340 N SER A 83 -2.456 -2.524 -2.415 1.00 0.00 N ATOM 341 CA SER A 83 -2.809 -1.546 -3.438 1.00 0.00 C ATOM 342 C SER A 83 -3.909 -2.083 -4.347 1.00 0.00 C ATOM 343 O SER A 83 -4.979 -1.486 -4.464 1.00 0.00 O ATOM 344 CB SER A 83 -1.578 -1.179 -4.269 1.00 0.00 C ATOM 345 OG SER A 83 -0.994 -2.332 -4.851 1.00 0.00 O ATOM 0 H SER A 83 -1.455 -2.699 -2.326 1.00 0.00 H new ATOM 0 HA SER A 83 -3.180 -0.652 -2.938 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.860 -0.476 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.846 -0.676 -3.638 1.00 0.00 H new ATOM 0 HG SER A 83 -1.037 -3.077 -4.216 1.00 0.00 H new ATOM 351 N GLU A 84 -3.638 -3.215 -4.989 1.00 0.00 N ATOM 352 CA GLU A 84 -4.604 -3.833 -5.890 1.00 0.00 C ATOM 353 C GLU A 84 -5.977 -3.931 -5.230 1.00 0.00 C ATOM 354 O GLU A 84 -7.005 -3.737 -5.879 1.00 0.00 O ATOM 355 CB GLU A 84 -4.127 -5.225 -6.309 1.00 0.00 C ATOM 356 CG GLU A 84 -4.700 -5.690 -7.637 1.00 0.00 C ATOM 357 CD GLU A 84 -4.850 -7.197 -7.711 1.00 0.00 C ATOM 358 OE1 GLU A 84 -3.855 -7.878 -8.035 1.00 0.00 O ATOM 359 OE2 GLU A 84 -5.964 -7.696 -7.445 1.00 0.00 O ATOM 0 H GLU A 84 -2.758 -3.723 -4.902 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.689 -3.205 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.039 -5.223 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.399 -5.942 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.673 -5.224 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.052 -5.353 -8.446 1.00 0.00 H new ATOM 366 N TYR A 85 -5.984 -4.233 -3.936 1.00 0.00 N ATOM 367 CA TYR A 85 -7.230 -4.360 -3.189 1.00 0.00 C ATOM 368 C TYR A 85 -7.817 -2.988 -2.871 1.00 0.00 C ATOM 369 O TYR A 85 -9.031 -2.835 -2.739 1.00 0.00 O ATOM 370 CB TYR A 85 -6.994 -5.138 -1.893 1.00 0.00 C ATOM 371 CG TYR A 85 -8.073 -4.928 -0.855 1.00 0.00 C ATOM 372 CD1 TYR A 85 -9.380 -5.337 -1.090 1.00 0.00 C ATOM 373 CD2 TYR A 85 -7.785 -4.321 0.361 1.00 0.00 C ATOM 374 CE1 TYR A 85 -10.369 -5.146 -0.145 1.00 0.00 C ATOM 375 CE2 TYR A 85 -8.768 -4.127 1.313 1.00 0.00 C ATOM 376 CZ TYR A 85 -10.058 -4.541 1.055 1.00 0.00 C ATOM 377 OH TYR A 85 -11.041 -4.350 1.999 1.00 0.00 O ATOM 0 H TYR A 85 -5.142 -4.394 -3.383 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.942 -4.905 -3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.926 -6.201 -2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.033 -4.842 -1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.627 -5.812 -2.028 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.776 -3.995 0.566 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.380 -5.469 -0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.527 -3.654 2.254 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.625 -5.136 2.027 1.00 0.00 H new ATOM 387 N PHE A 86 -6.945 -1.992 -2.751 1.00 0.00 N ATOM 388 CA PHE A 86 -7.375 -0.632 -2.449 1.00 0.00 C ATOM 389 C PHE A 86 -7.764 0.111 -3.724 1.00 0.00 C ATOM 390 O PHE A 86 -8.346 1.196 -3.671 1.00 0.00 O ATOM 391 CB PHE A 86 -6.264 0.127 -1.721 1.00 0.00 C ATOM 392 CG PHE A 86 -6.170 -0.205 -0.259 1.00 0.00 C ATOM 393 CD1 PHE A 86 -7.242 0.026 0.587 1.00 0.00 C ATOM 394 CD2 PHE A 86 -5.009 -0.746 0.269 1.00 0.00 C ATOM 395 CE1 PHE A 86 -7.159 -0.279 1.933 1.00 0.00 C ATOM 396 CE2 PHE A 86 -4.920 -1.053 1.613 1.00 0.00 C ATOM 397 CZ PHE A 86 -5.996 -0.818 2.447 1.00 0.00 C ATOM 0 H PHE A 86 -5.937 -2.101 -2.858 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.250 -0.689 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.310 -0.096 -2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.433 1.198 -1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.153 0.449 0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.164 -0.930 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -8.003 -0.096 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.010 -1.476 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.928 -1.055 3.498 1.00 0.00 H new ATOM 407 N LEU A 87 -7.437 -0.479 -4.868 1.00 0.00 N ATOM 408 CA LEU A 87 -7.751 0.126 -6.158 1.00 0.00 C ATOM 409 C LEU A 87 -9.235 -0.015 -6.479 1.00 0.00 C ATOM 410 O LEU A 87 -9.735 0.588 -7.429 1.00 0.00 O ATOM 411 CB LEU A 87 -6.914 -0.520 -7.264 1.00 0.00 C ATOM 412 CG LEU A 87 -5.462 -0.052 -7.367 1.00 0.00 C ATOM 413 CD1 LEU A 87 -4.694 -0.909 -8.360 1.00 0.00 C ATOM 414 CD2 LEU A 87 -5.402 1.415 -7.767 1.00 0.00 C ATOM 0 H LEU A 87 -6.955 -1.376 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.510 1.188 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.917 -1.599 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.404 -0.332 -8.219 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.995 -0.161 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.663 -0.561 -8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.708 -1.948 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.160 -0.833 -9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.361 1.731 -7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.886 1.548 -8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.916 2.018 -7.018 1.00 0.00 H new ATOM 426 N ALA A 88 -9.935 -0.814 -5.680 1.00 0.00 N ATOM 427 CA ALA A 88 -11.363 -1.031 -5.877 1.00 0.00 C ATOM 428 C ALA A 88 -12.169 0.187 -5.437 1.00 0.00 C ATOM 429 O ALA A 88 -13.381 0.250 -5.646 1.00 0.00 O ATOM 430 CB ALA A 88 -11.818 -2.269 -5.119 1.00 0.00 C ATOM 0 H ALA A 88 -9.536 -1.322 -4.890 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.539 -1.185 -6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.886 -2.419 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.272 -3.140 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.622 -2.137 -4.055 1.00 0.00 H new ATOM 436 N PHE A 89 -11.489 1.152 -4.827 1.00 0.00 N ATOM 437 CA PHE A 89 -12.143 2.367 -4.356 1.00 0.00 C ATOM 438 C PHE A 89 -11.441 3.608 -4.901 1.00 0.00 C ATOM 439 O PHE A 89 -12.062 4.654 -5.087 1.00 0.00 O ATOM 440 CB PHE A 89 -12.155 2.405 -2.827 1.00 0.00 C ATOM 441 CG PHE A 89 -12.839 1.222 -2.203 1.00 0.00 C ATOM 442 CD1 PHE A 89 -12.125 0.076 -1.893 1.00 0.00 C ATOM 443 CD2 PHE A 89 -14.197 1.256 -1.928 1.00 0.00 C ATOM 444 CE1 PHE A 89 -12.752 -1.014 -1.319 1.00 0.00 C ATOM 445 CE2 PHE A 89 -14.829 0.170 -1.353 1.00 0.00 C ATOM 446 CZ PHE A 89 -14.106 -0.967 -1.050 1.00 0.00 C ATOM 0 H PHE A 89 -10.486 1.116 -4.647 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.170 2.362 -4.720 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.128 2.454 -2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.653 3.317 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -11.066 0.034 -2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.768 2.141 -2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.184 -1.901 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -15.887 0.210 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 89 -14.599 -1.818 -0.603 1.00 0.00 H new ATOM 456 N GLY A 90 -10.142 3.483 -5.155 1.00 0.00 N ATOM 457 CA GLY A 90 -9.377 4.601 -5.675 1.00 0.00 C ATOM 458 C GLY A 90 -7.909 4.267 -5.852 1.00 0.00 C ATOM 459 O GLY A 90 -7.420 3.247 -5.366 1.00 0.00 O ATOM 0 H GLY A 90 -9.606 2.627 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.795 4.908 -6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.474 5.450 -4.998 1.00 0.00 H new ATOM 463 N PRO A 91 -7.181 5.139 -6.565 1.00 0.00 N ATOM 464 CA PRO A 91 -5.750 4.952 -6.822 1.00 0.00 C ATOM 465 C PRO A 91 -4.899 5.221 -5.585 1.00 0.00 C ATOM 466 O PRO A 91 -5.039 6.258 -4.937 1.00 0.00 O ATOM 467 CB PRO A 91 -5.448 5.982 -7.913 1.00 0.00 C ATOM 468 CG PRO A 91 -6.460 7.057 -7.710 1.00 0.00 C ATOM 469 CD PRO A 91 -7.699 6.376 -7.174 1.00 0.00 C ATOM 0 HA PRO A 91 -5.518 3.926 -7.109 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.434 6.371 -7.821 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.532 5.542 -8.907 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.095 7.808 -7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.674 7.572 -8.647 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.213 6.998 -6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.414 6.162 -7.968 1.00 0.00 H new ATOM 477 N VAL A 92 -4.016 4.281 -5.264 1.00 0.00 N ATOM 478 CA VAL A 92 -3.141 4.418 -4.106 1.00 0.00 C ATOM 479 C VAL A 92 -1.803 5.034 -4.498 1.00 0.00 C ATOM 480 O VAL A 92 -0.976 4.390 -5.142 1.00 0.00 O ATOM 481 CB VAL A 92 -2.888 3.057 -3.430 1.00 0.00 C ATOM 482 CG1 VAL A 92 -1.818 3.185 -2.357 1.00 0.00 C ATOM 483 CG2 VAL A 92 -4.179 2.506 -2.843 1.00 0.00 C ATOM 0 H VAL A 92 -3.888 3.416 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.649 5.077 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.530 2.357 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.653 2.214 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.889 3.533 -2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.144 3.900 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.982 1.544 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.568 3.203 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.913 2.375 -3.638 1.00 0.00 H new ATOM 493 N ALA A 93 -1.597 6.287 -4.105 1.00 0.00 N ATOM 494 CA ALA A 93 -0.358 6.990 -4.413 1.00 0.00 C ATOM 495 C ALA A 93 0.858 6.165 -4.005 1.00 0.00 C ATOM 496 O ALA A 93 1.800 6.005 -4.782 1.00 0.00 O ATOM 497 CB ALA A 93 -0.334 8.345 -3.721 1.00 0.00 C ATOM 0 H ALA A 93 -2.272 6.836 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.315 7.143 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.597 8.859 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.178 8.944 -4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.404 8.204 -2.642 1.00 0.00 H new ATOM 503 N SER A 94 0.831 5.644 -2.783 1.00 0.00 N ATOM 504 CA SER A 94 1.934 4.839 -2.271 1.00 0.00 C ATOM 505 C SER A 94 1.581 4.234 -0.915 1.00 0.00 C ATOM 506 O SER A 94 0.695 4.725 -0.215 1.00 0.00 O ATOM 507 CB SER A 94 3.200 5.688 -2.149 1.00 0.00 C ATOM 508 OG SER A 94 3.941 5.675 -3.357 1.00 0.00 O ATOM 0 H SER A 94 0.058 5.765 -2.129 1.00 0.00 H new ATOM 0 HA SER A 94 2.116 4.028 -2.976 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.931 6.713 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.818 5.310 -1.335 1.00 0.00 H new ATOM 0 HG SER A 94 3.427 6.123 -4.061 1.00 0.00 H new ATOM 514 N VAL A 95 2.280 3.164 -0.552 1.00 0.00 N ATOM 515 CA VAL A 95 2.043 2.491 0.720 1.00 0.00 C ATOM 516 C VAL A 95 3.329 2.382 1.532 1.00 0.00 C ATOM 517 O VAL A 95 4.232 1.621 1.185 1.00 0.00 O ATOM 518 CB VAL A 95 1.461 1.081 0.509 1.00 0.00 C ATOM 519 CG1 VAL A 95 1.237 0.391 1.846 1.00 0.00 C ATOM 520 CG2 VAL A 95 0.166 1.154 -0.287 1.00 0.00 C ATOM 0 H VAL A 95 3.015 2.744 -1.121 1.00 0.00 H new ATOM 0 HA VAL A 95 1.321 3.096 1.268 1.00 0.00 H new ATOM 0 HB VAL A 95 2.179 0.491 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.825 -0.604 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.186 0.306 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.539 0.976 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.232 0.149 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.560 1.760 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.362 1.606 -1.260 1.00 0.00 H new ATOM 530 N VAL A 96 3.405 3.148 2.616 1.00 0.00 N ATOM 531 CA VAL A 96 4.580 3.136 3.480 1.00 0.00 C ATOM 532 C VAL A 96 4.447 2.082 4.574 1.00 0.00 C ATOM 533 O VAL A 96 4.055 2.388 5.699 1.00 0.00 O ATOM 534 CB VAL A 96 4.810 4.512 4.132 1.00 0.00 C ATOM 535 CG1 VAL A 96 6.136 4.535 4.877 1.00 0.00 C ATOM 536 CG2 VAL A 96 4.758 5.614 3.085 1.00 0.00 C ATOM 0 H VAL A 96 2.667 3.785 2.917 1.00 0.00 H new ATOM 0 HA VAL A 96 5.435 2.894 2.849 1.00 0.00 H new ATOM 0 HB VAL A 96 4.012 4.690 4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.281 5.515 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.129 3.772 5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.949 4.334 4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.923 6.579 3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.533 5.443 2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.781 5.611 2.602 1.00 0.00 H new ATOM 546 N MET A 97 4.777 0.840 4.234 1.00 0.00 N ATOM 547 CA MET A 97 4.696 -0.259 5.189 1.00 0.00 C ATOM 548 C MET A 97 5.862 -0.213 6.172 1.00 0.00 C ATOM 549 O MET A 97 7.019 -0.381 5.785 1.00 0.00 O ATOM 550 CB MET A 97 4.686 -1.601 4.454 1.00 0.00 C ATOM 551 CG MET A 97 3.437 -1.827 3.618 1.00 0.00 C ATOM 552 SD MET A 97 3.391 -3.465 2.867 1.00 0.00 S ATOM 553 CE MET A 97 2.589 -4.408 4.162 1.00 0.00 C ATOM 0 H MET A 97 5.102 0.570 3.306 1.00 0.00 H new ATOM 0 HA MET A 97 3.767 -0.153 5.750 1.00 0.00 H new ATOM 0 HB2 MET A 97 5.561 -1.658 3.807 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.776 -2.406 5.183 1.00 0.00 H new ATOM 0 HG2 MET A 97 2.556 -1.694 4.245 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.387 -1.071 2.835 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.488 -5.446 3.846 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.189 -4.362 5.071 1.00 0.00 H new ATOM 0 HE3 MET A 97 1.601 -3.990 4.358 1.00 0.00 H new ATOM 563 N ASP A 98 5.550 0.017 7.442 1.00 0.00 N ATOM 564 CA ASP A 98 6.572 0.085 8.480 1.00 0.00 C ATOM 565 C ASP A 98 7.558 -1.071 8.348 1.00 0.00 C ATOM 566 O ASP A 98 7.200 -2.159 7.897 1.00 0.00 O ATOM 567 CB ASP A 98 5.925 0.064 9.866 1.00 0.00 C ATOM 568 CG ASP A 98 6.778 0.749 10.914 1.00 0.00 C ATOM 569 OD1 ASP A 98 7.702 0.098 11.447 1.00 0.00 O ATOM 570 OD2 ASP A 98 6.523 1.937 11.202 1.00 0.00 O ATOM 0 H ASP A 98 4.598 0.160 7.778 1.00 0.00 H new ATOM 0 HA ASP A 98 7.118 1.021 8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.952 0.553 9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.747 -0.969 10.165 1.00 0.00 H new ATOM 575 N LYS A 99 8.803 -0.828 8.744 1.00 0.00 N ATOM 576 CA LYS A 99 9.843 -1.848 8.670 1.00 0.00 C ATOM 577 C LYS A 99 10.216 -2.346 10.063 1.00 0.00 C ATOM 578 O LYS A 99 10.606 -3.501 10.236 1.00 0.00 O ATOM 579 CB LYS A 99 11.083 -1.293 7.966 1.00 0.00 C ATOM 580 CG LYS A 99 11.767 -0.174 8.733 1.00 0.00 C ATOM 581 CD LYS A 99 13.084 0.220 8.086 1.00 0.00 C ATOM 582 CE LYS A 99 13.778 1.328 8.865 1.00 0.00 C ATOM 583 NZ LYS A 99 15.001 1.813 8.168 1.00 0.00 N ATOM 0 H LYS A 99 9.117 0.067 9.120 1.00 0.00 H new ATOM 0 HA LYS A 99 9.453 -2.688 8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.795 -2.103 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.797 -0.925 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.108 0.693 8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 99 11.946 -0.492 9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.737 -0.651 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.904 0.551 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.087 2.159 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 99 14.046 0.962 9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.445 2.567 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.671 1.026 8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.742 2.186 7.232 1.00 0.00 H new ATOM 597 N ASP A 100 10.092 -1.468 11.053 1.00 0.00 N ATOM 598 CA ASP A 100 10.414 -1.820 12.431 1.00 0.00 C ATOM 599 C ASP A 100 9.628 -3.049 12.876 1.00 0.00 C ATOM 600 O ASP A 100 10.205 -4.096 13.169 1.00 0.00 O ATOM 601 CB ASP A 100 10.117 -0.643 13.362 1.00 0.00 C ATOM 602 CG ASP A 100 11.110 0.490 13.198 1.00 0.00 C ATOM 603 OD1 ASP A 100 12.317 0.260 13.427 1.00 0.00 O ATOM 604 OD2 ASP A 100 10.682 1.607 12.840 1.00 0.00 O ATOM 0 H ASP A 100 9.771 -0.508 10.927 1.00 0.00 H new ATOM 0 HA ASP A 100 11.477 -2.054 12.482 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.111 -0.272 13.164 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.132 -0.988 14.396 1.00 0.00 H new ATOM 609 N LYS A 101 8.307 -2.913 12.926 1.00 0.00 N ATOM 610 CA LYS A 101 7.440 -4.012 13.336 1.00 0.00 C ATOM 611 C LYS A 101 6.365 -4.277 12.286 1.00 0.00 C ATOM 612 O LYS A 101 5.496 -5.127 12.475 1.00 0.00 O ATOM 613 CB LYS A 101 6.786 -3.697 14.683 1.00 0.00 C ATOM 614 CG LYS A 101 7.594 -4.173 15.878 1.00 0.00 C ATOM 615 CD LYS A 101 7.240 -5.600 16.258 1.00 0.00 C ATOM 616 CE LYS A 101 7.809 -5.972 17.618 1.00 0.00 C ATOM 617 NZ LYS A 101 7.866 -7.448 17.811 1.00 0.00 N ATOM 0 H LYS A 101 7.813 -2.053 12.688 1.00 0.00 H new ATOM 0 HA LYS A 101 8.053 -4.908 13.437 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.637 -2.620 14.762 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.799 -4.159 14.715 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.657 -4.110 15.647 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.412 -3.514 16.727 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.156 -5.716 16.272 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.624 -6.285 15.502 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.810 -5.554 17.719 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.197 -5.527 18.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.260 -7.660 18.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.907 -7.845 17.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.471 -7.871 17.078 1.00 0.00 H new ATOM 631 N GLY A 102 6.433 -3.545 11.178 1.00 0.00 N ATOM 632 CA GLY A 102 5.461 -3.717 10.115 1.00 0.00 C ATOM 633 C GLY A 102 4.064 -3.981 10.643 1.00 0.00 C ATOM 634 O GLY A 102 3.250 -4.618 9.975 1.00 0.00 O ATOM 0 H GLY A 102 7.144 -2.836 10.998 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.447 -2.823 9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.768 -4.546 9.477 1.00 0.00 H new ATOM 638 N VAL A 103 3.786 -3.491 11.847 1.00 0.00 N ATOM 639 CA VAL A 103 2.479 -3.677 12.465 1.00 0.00 C ATOM 640 C VAL A 103 1.438 -2.759 11.836 1.00 0.00 C ATOM 641 O VAL A 103 0.244 -2.875 12.113 1.00 0.00 O ATOM 642 CB VAL A 103 2.532 -3.412 13.981 1.00 0.00 C ATOM 643 CG1 VAL A 103 2.341 -1.931 14.272 1.00 0.00 C ATOM 644 CG2 VAL A 103 1.484 -4.245 14.704 1.00 0.00 C ATOM 0 H VAL A 103 4.449 -2.962 12.414 1.00 0.00 H new ATOM 0 HA VAL A 103 2.194 -4.715 12.295 1.00 0.00 H new ATOM 0 HB VAL A 103 3.515 -3.706 14.349 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.382 -1.763 15.348 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.132 -1.360 13.786 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.373 -1.607 13.891 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.535 -4.045 15.774 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.493 -3.984 14.333 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.672 -5.303 14.523 1.00 0.00 H new ATOM 654 N PHE A 104 1.898 -1.846 10.987 1.00 0.00 N ATOM 655 CA PHE A 104 1.006 -0.906 10.317 1.00 0.00 C ATOM 656 C PHE A 104 1.636 -0.381 9.030 1.00 0.00 C ATOM 657 O PHE A 104 2.839 -0.518 8.815 1.00 0.00 O ATOM 658 CB PHE A 104 0.670 0.262 11.247 1.00 0.00 C ATOM 659 CG PHE A 104 1.824 1.197 11.476 1.00 0.00 C ATOM 660 CD1 PHE A 104 2.294 2.002 10.451 1.00 0.00 C ATOM 661 CD2 PHE A 104 2.439 1.269 12.716 1.00 0.00 C ATOM 662 CE1 PHE A 104 3.355 2.863 10.658 1.00 0.00 C ATOM 663 CE2 PHE A 104 3.499 2.129 12.929 1.00 0.00 C ATOM 664 CZ PHE A 104 3.959 2.926 11.899 1.00 0.00 C ATOM 0 H PHE A 104 2.883 -1.737 10.746 1.00 0.00 H new ATOM 0 HA PHE A 104 0.087 -1.434 10.062 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.164 0.823 10.826 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.336 -0.132 12.207 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.826 1.956 9.479 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.086 0.646 13.524 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.712 3.486 9.851 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.968 2.178 13.901 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.789 3.597 12.063 1.00 0.00 H new ATOM 674 N ALA A 105 0.812 0.219 8.178 1.00 0.00 N ATOM 675 CA ALA A 105 1.287 0.766 6.913 1.00 0.00 C ATOM 676 C ALA A 105 0.455 1.972 6.489 1.00 0.00 C ATOM 677 O ALA A 105 -0.775 1.916 6.478 1.00 0.00 O ATOM 678 CB ALA A 105 1.258 -0.304 5.831 1.00 0.00 C ATOM 0 H ALA A 105 -0.188 0.339 8.341 1.00 0.00 H new ATOM 0 HA ALA A 105 2.316 1.098 7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.615 0.118 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.901 -1.134 6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.237 -0.663 5.702 1.00 0.00 H new ATOM 684 N ILE A 106 1.133 3.059 6.140 1.00 0.00 N ATOM 685 CA ILE A 106 0.456 4.278 5.715 1.00 0.00 C ATOM 686 C ILE A 106 0.066 4.205 4.243 1.00 0.00 C ATOM 687 O ILE A 106 0.920 4.286 3.359 1.00 0.00 O ATOM 688 CB ILE A 106 1.338 5.520 5.940 1.00 0.00 C ATOM 689 CG1 ILE A 106 1.831 5.567 7.388 1.00 0.00 C ATOM 690 CG2 ILE A 106 0.568 6.786 5.596 1.00 0.00 C ATOM 691 CD1 ILE A 106 0.713 5.588 8.407 1.00 0.00 C ATOM 0 H ILE A 106 2.151 3.121 6.143 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.444 4.367 6.323 1.00 0.00 H new ATOM 0 HB ILE A 106 2.205 5.455 5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.466 4.701 7.575 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.452 6.453 7.523 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.205 7.655 5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.262 6.753 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.315 6.858 6.231 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.136 5.621 9.411 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.091 6.468 8.246 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.105 4.690 8.299 1.00 0.00 H new ATOM 703 N VAL A 107 -1.229 4.054 3.986 1.00 0.00 N ATOM 704 CA VAL A 107 -1.733 3.974 2.620 1.00 0.00 C ATOM 705 C VAL A 107 -2.231 5.332 2.137 1.00 0.00 C ATOM 706 O VAL A 107 -3.161 5.901 2.707 1.00 0.00 O ATOM 707 CB VAL A 107 -2.877 2.949 2.503 1.00 0.00 C ATOM 708 CG1 VAL A 107 -3.663 3.169 1.220 1.00 0.00 C ATOM 709 CG2 VAL A 107 -2.329 1.531 2.566 1.00 0.00 C ATOM 0 H VAL A 107 -1.948 3.985 4.706 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.901 3.652 1.994 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.556 3.090 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.467 2.435 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.087 4.173 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.999 3.056 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.150 0.819 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.628 1.375 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.815 1.381 3.516 1.00 0.00 H new ATOM 719 N GLU A 108 -1.605 5.844 1.082 1.00 0.00 N ATOM 720 CA GLU A 108 -1.985 7.136 0.523 1.00 0.00 C ATOM 721 C GLU A 108 -2.979 6.962 -0.622 1.00 0.00 C ATOM 722 O GLU A 108 -3.142 5.865 -1.155 1.00 0.00 O ATOM 723 CB GLU A 108 -0.747 7.887 0.028 1.00 0.00 C ATOM 724 CG GLU A 108 -1.002 9.357 -0.259 1.00 0.00 C ATOM 725 CD GLU A 108 0.281 10.151 -0.417 1.00 0.00 C ATOM 726 OE1 GLU A 108 1.247 9.608 -0.993 1.00 0.00 O ATOM 727 OE2 GLU A 108 0.318 11.314 0.035 1.00 0.00 O ATOM 0 H GLU A 108 -0.834 5.385 0.598 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.463 7.718 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.042 7.803 0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.379 7.407 -0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.596 9.448 -1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.592 9.785 0.551 1.00 0.00 H new ATOM 734 N MET A 109 -3.642 8.053 -0.993 1.00 0.00 N ATOM 735 CA MET A 109 -4.620 8.022 -2.075 1.00 0.00 C ATOM 736 C MET A 109 -4.367 9.150 -3.069 1.00 0.00 C ATOM 737 O MET A 109 -3.820 10.193 -2.713 1.00 0.00 O ATOM 738 CB MET A 109 -6.038 8.130 -1.512 1.00 0.00 C ATOM 739 CG MET A 109 -6.425 6.967 -0.612 1.00 0.00 C ATOM 740 SD MET A 109 -6.140 5.365 -1.387 1.00 0.00 S ATOM 741 CE MET A 109 -7.772 5.006 -2.034 1.00 0.00 C ATOM 0 H MET A 109 -3.520 8.969 -0.561 1.00 0.00 H new ATOM 0 HA MET A 109 -4.516 7.071 -2.598 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.127 9.059 -0.949 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.745 8.189 -2.339 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.854 7.024 0.315 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.478 7.055 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 109 -8.011 3.957 -1.858 1.00 0.00 H new ATOM 0 HE2 MET A 109 -8.508 5.635 -1.534 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.791 5.207 -3.105 1.00 0.00 H new ATOM 751 N GLY A 110 -4.769 8.934 -4.318 1.00 0.00 N ATOM 752 CA GLY A 110 -4.577 9.943 -5.344 1.00 0.00 C ATOM 753 C GLY A 110 -5.160 11.286 -4.953 1.00 0.00 C ATOM 754 O GLY A 110 -4.436 12.182 -4.520 1.00 0.00 O ATOM 0 H GLY A 110 -5.224 8.079 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.511 10.057 -5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -5.039 9.606 -6.272 1.00 0.00 H new ATOM 758 N ASP A 111 -6.472 11.427 -5.108 1.00 0.00 N ATOM 759 CA ASP A 111 -7.153 12.671 -4.769 1.00 0.00 C ATOM 760 C ASP A 111 -8.049 12.485 -3.549 1.00 0.00 C ATOM 761 O ASP A 111 -8.289 11.362 -3.107 1.00 0.00 O ATOM 762 CB ASP A 111 -7.982 13.164 -5.956 1.00 0.00 C ATOM 763 CG ASP A 111 -9.022 12.153 -6.395 1.00 0.00 C ATOM 764 OD1 ASP A 111 -8.647 10.991 -6.660 1.00 0.00 O ATOM 765 OD2 ASP A 111 -10.212 12.522 -6.472 1.00 0.00 O ATOM 0 H ASP A 111 -7.085 10.695 -5.466 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.395 13.417 -4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.477 14.097 -5.687 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -7.319 13.385 -6.792 1.00 0.00 H new ATOM 770 N VAL A 112 -8.540 13.595 -3.007 1.00 0.00 N ATOM 771 CA VAL A 112 -9.410 13.555 -1.837 1.00 0.00 C ATOM 772 C VAL A 112 -10.610 12.645 -2.076 1.00 0.00 C ATOM 773 O VAL A 112 -11.053 11.936 -1.174 1.00 0.00 O ATOM 774 CB VAL A 112 -9.913 14.962 -1.463 1.00 0.00 C ATOM 775 CG1 VAL A 112 -10.631 15.603 -2.641 1.00 0.00 C ATOM 776 CG2 VAL A 112 -10.824 14.896 -0.246 1.00 0.00 C ATOM 0 H VAL A 112 -8.350 14.533 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.815 13.159 -1.014 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.052 15.581 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.979 16.596 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.945 15.685 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.484 14.987 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.170 15.899 0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.682 14.261 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.274 14.481 0.598 1.00 0.00 H new ATOM 786 N GLY A 113 -11.131 12.670 -3.299 1.00 0.00 N ATOM 787 CA GLY A 113 -12.275 11.843 -3.635 1.00 0.00 C ATOM 788 C GLY A 113 -12.036 10.375 -3.338 1.00 0.00 C ATOM 789 O GLY A 113 -12.934 9.676 -2.868 1.00 0.00 O ATOM 0 H GLY A 113 -10.781 13.248 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.145 12.187 -3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.508 11.963 -4.693 1.00 0.00 H new ATOM 793 N ALA A 114 -10.824 9.907 -3.614 1.00 0.00 N ATOM 794 CA ALA A 114 -10.470 8.514 -3.373 1.00 0.00 C ATOM 795 C ALA A 114 -10.486 8.193 -1.883 1.00 0.00 C ATOM 796 O ALA A 114 -11.182 7.277 -1.443 1.00 0.00 O ATOM 797 CB ALA A 114 -9.102 8.207 -3.966 1.00 0.00 C ATOM 0 H ALA A 114 -10.070 10.472 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.215 7.886 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.850 7.163 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.122 8.388 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.353 8.850 -3.504 1.00 0.00 H new ATOM 803 N ARG A 115 -9.716 8.951 -1.110 1.00 0.00 N ATOM 804 CA ARG A 115 -9.641 8.746 0.331 1.00 0.00 C ATOM 805 C ARG A 115 -11.033 8.768 0.957 1.00 0.00 C ATOM 806 O ARG A 115 -11.326 7.995 1.868 1.00 0.00 O ATOM 807 CB ARG A 115 -8.763 9.820 0.976 1.00 0.00 C ATOM 808 CG ARG A 115 -8.791 9.797 2.496 1.00 0.00 C ATOM 809 CD ARG A 115 -8.553 11.182 3.078 1.00 0.00 C ATOM 810 NE ARG A 115 -9.710 12.056 2.901 1.00 0.00 N ATOM 811 CZ ARG A 115 -9.747 13.318 3.314 1.00 0.00 C ATOM 812 NH1 ARG A 115 -8.698 13.850 3.925 1.00 0.00 N ATOM 813 NH2 ARG A 115 -10.836 14.050 3.116 1.00 0.00 N ATOM 0 H ARG A 115 -9.135 9.713 -1.458 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.196 7.767 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.735 9.688 0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.090 10.801 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.754 9.418 2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.029 9.110 2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -8.324 11.095 4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.683 11.631 2.600 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.534 11.677 2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.859 13.290 4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.729 14.819 4.241 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.645 13.644 2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -10.864 15.019 3.433 1.00 0.00 H new ATOM 827 N GLU A 116 -11.885 9.660 0.460 1.00 0.00 N ATOM 828 CA GLU A 116 -13.245 9.783 0.972 1.00 0.00 C ATOM 829 C GLU A 116 -14.008 8.471 0.811 1.00 0.00 C ATOM 830 O GLU A 116 -14.703 8.029 1.725 1.00 0.00 O ATOM 831 CB GLU A 116 -13.986 10.909 0.247 1.00 0.00 C ATOM 832 CG GLU A 116 -13.582 12.299 0.709 1.00 0.00 C ATOM 833 CD GLU A 116 -14.174 12.661 2.057 1.00 0.00 C ATOM 834 OE1 GLU A 116 -13.624 12.213 3.085 1.00 0.00 O ATOM 835 OE2 GLU A 116 -15.187 13.391 2.085 1.00 0.00 O ATOM 0 H GLU A 116 -11.658 10.307 -0.295 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.186 10.021 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.802 10.823 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.058 10.783 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.495 12.357 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.902 13.031 -0.032 1.00 0.00 H new ATOM 842 N ALA A 117 -13.871 7.854 -0.358 1.00 0.00 N ATOM 843 CA ALA A 117 -14.546 6.593 -0.639 1.00 0.00 C ATOM 844 C ALA A 117 -14.233 5.552 0.431 1.00 0.00 C ATOM 845 O ALA A 117 -15.138 4.983 1.041 1.00 0.00 O ATOM 846 CB ALA A 117 -14.147 6.075 -2.013 1.00 0.00 C ATOM 0 H ALA A 117 -13.299 8.207 -1.125 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.621 6.775 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -14.659 5.133 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -14.427 6.805 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -13.069 5.916 -2.043 1.00 0.00 H new ATOM 852 N VAL A 118 -12.945 5.308 0.654 1.00 0.00 N ATOM 853 CA VAL A 118 -12.513 4.337 1.651 1.00 0.00 C ATOM 854 C VAL A 118 -13.002 4.722 3.043 1.00 0.00 C ATOM 855 O VAL A 118 -13.513 3.885 3.788 1.00 0.00 O ATOM 856 CB VAL A 118 -10.978 4.204 1.677 1.00 0.00 C ATOM 857 CG1 VAL A 118 -10.546 3.215 2.749 1.00 0.00 C ATOM 858 CG2 VAL A 118 -10.457 3.784 0.311 1.00 0.00 C ATOM 0 H VAL A 118 -12.183 5.770 0.157 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.949 3.379 1.368 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.550 5.176 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.459 3.134 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.887 3.563 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -10.982 2.238 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.371 3.695 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.891 2.823 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.735 4.533 -0.430 1.00 0.00 H new ATOM 868 N LEU A 119 -12.844 5.995 3.388 1.00 0.00 N ATOM 869 CA LEU A 119 -13.270 6.493 4.691 1.00 0.00 C ATOM 870 C LEU A 119 -14.772 6.308 4.880 1.00 0.00 C ATOM 871 O LEU A 119 -15.248 6.119 5.999 1.00 0.00 O ATOM 872 CB LEU A 119 -12.905 7.972 4.838 1.00 0.00 C ATOM 873 CG LEU A 119 -11.411 8.289 4.917 1.00 0.00 C ATOM 874 CD1 LEU A 119 -11.186 9.793 4.941 1.00 0.00 C ATOM 875 CD2 LEU A 119 -10.791 7.636 6.143 1.00 0.00 C ATOM 0 H LEU A 119 -12.424 6.701 2.784 1.00 0.00 H new ATOM 0 HA LEU A 119 -12.752 5.919 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.327 8.516 3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.386 8.357 5.737 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.925 7.883 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.117 10.000 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.594 10.236 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.685 10.222 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.728 7.872 6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -11.280 8.012 7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.920 6.555 6.084 1.00 0.00 H new ATOM 887 N SER A 120 -15.513 6.361 3.778 1.00 0.00 N ATOM 888 CA SER A 120 -16.962 6.200 3.822 1.00 0.00 C ATOM 889 C SER A 120 -17.360 4.768 3.479 1.00 0.00 C ATOM 890 O SER A 120 -18.223 4.539 2.633 1.00 0.00 O ATOM 891 CB SER A 120 -17.634 7.174 2.853 1.00 0.00 C ATOM 892 OG SER A 120 -18.949 7.489 3.276 1.00 0.00 O ATOM 0 H SER A 120 -15.134 6.514 2.843 1.00 0.00 H new ATOM 0 HA SER A 120 -17.297 6.419 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 120 -17.043 8.087 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 120 -17.665 6.736 1.855 1.00 0.00 H new ATOM 0 HG SER A 120 -19.356 8.114 2.641 1.00 0.00 H new ATOM 898 N GLN A 121 -16.724 3.808 4.144 1.00 0.00 N ATOM 899 CA GLN A 121 -17.011 2.398 3.910 1.00 0.00 C ATOM 900 C GLN A 121 -17.597 1.747 5.158 1.00 0.00 C ATOM 901 O GLN A 121 -17.201 2.065 6.280 1.00 0.00 O ATOM 902 CB GLN A 121 -15.740 1.661 3.484 1.00 0.00 C ATOM 903 CG GLN A 121 -16.003 0.466 2.582 1.00 0.00 C ATOM 904 CD GLN A 121 -16.265 -0.807 3.362 1.00 0.00 C ATOM 905 OE1 GLN A 121 -15.422 -1.259 4.137 1.00 0.00 O ATOM 906 NE2 GLN A 121 -17.439 -1.394 3.161 1.00 0.00 N ATOM 0 H GLN A 121 -16.007 3.981 4.849 1.00 0.00 H new ATOM 0 HA GLN A 121 -17.747 2.331 3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -15.082 2.359 2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.210 1.324 4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -16.860 0.679 1.943 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -15.146 0.316 1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -18.109 -0.985 2.509 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -17.671 -2.254 3.658 1.00 0.00 H new ATOM 915 N SER A 122 -18.542 0.835 4.956 1.00 0.00 N ATOM 916 CA SER A 122 -19.186 0.142 6.066 1.00 0.00 C ATOM 917 C SER A 122 -18.157 -0.600 6.913 1.00 0.00 C ATOM 918 O SER A 122 -17.853 -0.195 8.034 1.00 0.00 O ATOM 919 CB SER A 122 -20.236 -0.840 5.542 1.00 0.00 C ATOM 920 OG SER A 122 -20.979 -1.408 6.606 1.00 0.00 O ATOM 0 H SER A 122 -18.879 0.558 4.034 1.00 0.00 H new ATOM 0 HA SER A 122 -19.677 0.887 6.692 1.00 0.00 H new ATOM 0 HB2 SER A 122 -20.910 -0.325 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 122 -19.747 -1.631 4.973 1.00 0.00 H new ATOM 0 HG SER A 122 -21.644 -2.030 6.245 1.00 0.00 H new ATOM 926 N GLN A 123 -17.625 -1.689 6.367 1.00 0.00 N ATOM 927 CA GLN A 123 -16.630 -2.489 7.072 1.00 0.00 C ATOM 928 C GLN A 123 -15.498 -2.898 6.137 1.00 0.00 C ATOM 929 O GLN A 123 -15.728 -3.527 5.104 1.00 0.00 O ATOM 930 CB GLN A 123 -17.282 -3.733 7.678 1.00 0.00 C ATOM 931 CG GLN A 123 -16.528 -4.294 8.873 1.00 0.00 C ATOM 932 CD GLN A 123 -15.404 -5.227 8.468 1.00 0.00 C ATOM 933 OE1 GLN A 123 -15.171 -5.459 7.281 1.00 0.00 O ATOM 934 NE2 GLN A 123 -14.699 -5.768 9.455 1.00 0.00 N ATOM 0 H GLN A 123 -17.866 -2.037 5.439 1.00 0.00 H new ATOM 0 HA GLN A 123 -16.212 -1.880 7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -18.299 -3.488 7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -17.356 -4.504 6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -16.119 -3.471 9.459 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -17.224 -4.829 9.519 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -14.927 -5.548 10.425 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -13.930 -6.404 9.243 1.00 0.00 H new ATOM 943 N HIS A 124 -14.273 -2.537 6.505 1.00 0.00 N ATOM 944 CA HIS A 124 -13.103 -2.867 5.699 1.00 0.00 C ATOM 945 C HIS A 124 -12.611 -4.277 6.007 1.00 0.00 C ATOM 946 O HIS A 124 -12.251 -4.585 7.143 1.00 0.00 O ATOM 947 CB HIS A 124 -11.983 -1.857 5.949 1.00 0.00 C ATOM 948 CG HIS A 124 -12.240 -0.513 5.339 1.00 0.00 C ATOM 949 ND1 HIS A 124 -12.601 -0.343 4.019 1.00 0.00 N ATOM 950 CD2 HIS A 124 -12.187 0.728 5.876 1.00 0.00 C ATOM 951 CE1 HIS A 124 -12.758 0.945 3.770 1.00 0.00 C ATOM 952 NE2 HIS A 124 -12.513 1.616 4.881 1.00 0.00 N ATOM 0 H HIS A 124 -14.065 -2.016 7.357 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.392 -2.824 4.649 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -11.845 -1.739 7.024 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -11.050 -2.255 5.550 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -11.935 0.974 6.897 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -13.039 1.376 2.820 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -12.559 2.630 4.983 1.00 0.00 H new ATOM 960 N SER A 125 -12.598 -5.131 4.988 1.00 0.00 N ATOM 961 CA SER A 125 -12.154 -6.510 5.151 1.00 0.00 C ATOM 962 C SER A 125 -11.456 -7.009 3.890 1.00 0.00 C ATOM 963 O SER A 125 -12.041 -7.022 2.806 1.00 0.00 O ATOM 964 CB SER A 125 -13.343 -7.415 5.482 1.00 0.00 C ATOM 965 OG SER A 125 -12.910 -8.715 5.840 1.00 0.00 O ATOM 0 H SER A 125 -12.890 -4.892 4.041 1.00 0.00 H new ATOM 0 HA SER A 125 -11.442 -6.541 5.976 1.00 0.00 H new ATOM 0 HB2 SER A 125 -13.917 -6.981 6.301 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.009 -7.474 4.622 1.00 0.00 H new ATOM 0 HG SER A 125 -13.688 -9.273 6.048 1.00 0.00 H new ATOM 971 N LEU A 126 -10.201 -7.420 4.039 1.00 0.00 N ATOM 972 CA LEU A 126 -9.421 -7.920 2.913 1.00 0.00 C ATOM 973 C LEU A 126 -9.561 -9.434 2.784 1.00 0.00 C ATOM 974 O LEU A 126 -8.897 -10.191 3.489 1.00 0.00 O ATOM 975 CB LEU A 126 -7.948 -7.546 3.081 1.00 0.00 C ATOM 976 CG LEU A 126 -6.994 -8.075 2.009 1.00 0.00 C ATOM 977 CD1 LEU A 126 -7.106 -7.246 0.739 1.00 0.00 C ATOM 978 CD2 LEU A 126 -5.562 -8.075 2.523 1.00 0.00 C ATOM 0 H LEU A 126 -9.702 -7.417 4.929 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.805 -7.458 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.870 -6.459 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.610 -7.910 4.051 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.275 -9.102 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.420 -7.637 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.127 -7.297 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.852 -6.209 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.897 -8.454 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.270 -7.058 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.492 -8.712 3.405 1.00 0.00 H new ATOM 990 N GLY A 127 -10.430 -9.867 1.875 1.00 0.00 N ATOM 991 CA GLY A 127 -10.639 -11.288 1.668 1.00 0.00 C ATOM 992 C GLY A 127 -10.857 -12.037 2.967 1.00 0.00 C ATOM 993 O GLY A 127 -10.308 -13.120 3.167 1.00 0.00 O ATOM 0 H GLY A 127 -10.992 -9.259 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -11.502 -11.434 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -9.776 -11.707 1.151 1.00 0.00 H new ATOM 997 N GLY A 128 -11.661 -11.459 3.855 1.00 0.00 N ATOM 998 CA GLY A 128 -11.934 -12.092 5.131 1.00 0.00 C ATOM 999 C GLY A 128 -11.123 -11.492 6.262 1.00 0.00 C ATOM 1000 O GLY A 128 -11.626 -11.315 7.372 1.00 0.00 O ATOM 0 H GLY A 128 -12.128 -10.563 3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -12.996 -11.998 5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.717 -13.158 5.058 1.00 0.00 H new ATOM 1004 N HIS A 129 -9.861 -11.179 5.982 1.00 0.00 N ATOM 1005 CA HIS A 129 -8.977 -10.596 6.985 1.00 0.00 C ATOM 1006 C HIS A 129 -9.437 -9.191 7.363 1.00 0.00 C ATOM 1007 O HIS A 129 -9.423 -8.279 6.536 1.00 0.00 O ATOM 1008 CB HIS A 129 -7.540 -10.552 6.465 1.00 0.00 C ATOM 1009 CG HIS A 129 -7.085 -11.841 5.852 1.00 0.00 C ATOM 1010 ND1 HIS A 129 -6.321 -11.901 4.707 1.00 0.00 N ATOM 1011 CD2 HIS A 129 -7.290 -13.124 6.234 1.00 0.00 C ATOM 1012 CE1 HIS A 129 -6.076 -13.165 4.409 1.00 0.00 C ATOM 1013 NE2 HIS A 129 -6.653 -13.927 5.321 1.00 0.00 N ATOM 0 H HIS A 129 -9.428 -11.319 5.069 1.00 0.00 H new ATOM 0 HA HIS A 129 -9.014 -11.224 7.875 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -7.455 -9.757 5.724 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -6.872 -10.295 7.287 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -7.850 -13.454 7.096 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -5.502 -13.515 3.564 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -6.629 -14.946 5.343 1.00 0.00 H new ATOM 1021 N ARG A 130 -9.844 -9.025 8.618 1.00 0.00 N ATOM 1022 CA ARG A 130 -10.310 -7.732 9.105 1.00 0.00 C ATOM 1023 C ARG A 130 -9.167 -6.722 9.142 1.00 0.00 C ATOM 1024 O ARG A 130 -8.026 -7.070 9.448 1.00 0.00 O ATOM 1025 CB ARG A 130 -10.921 -7.879 10.499 1.00 0.00 C ATOM 1026 CG ARG A 130 -9.905 -8.214 11.578 1.00 0.00 C ATOM 1027 CD ARG A 130 -10.489 -8.032 12.970 1.00 0.00 C ATOM 1028 NE ARG A 130 -11.306 -9.172 13.375 1.00 0.00 N ATOM 1029 CZ ARG A 130 -12.101 -9.166 14.439 1.00 0.00 C ATOM 1030 NH1 ARG A 130 -12.187 -8.084 15.200 1.00 0.00 N ATOM 1031 NH2 ARG A 130 -12.813 -10.244 14.742 1.00 0.00 N ATOM 0 H ARG A 130 -9.860 -9.769 9.315 1.00 0.00 H new ATOM 0 HA ARG A 130 -11.073 -7.366 8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -11.427 -6.951 10.764 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -11.681 -8.660 10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -9.569 -9.244 11.455 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -9.028 -7.576 11.464 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -9.680 -7.893 13.687 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -11.094 -7.126 12.993 1.00 0.00 H new ATOM 0 HE ARG A 130 -11.264 -10.020 12.810 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -11.642 -7.253 14.969 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -12.798 -8.082 16.017 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -12.750 -11.078 14.158 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -13.423 -10.239 15.559 1.00 0.00 H new ATOM 1045 N LEU A 131 -9.481 -5.470 8.830 1.00 0.00 N ATOM 1046 CA LEU A 131 -8.480 -4.408 8.827 1.00 0.00 C ATOM 1047 C LEU A 131 -9.018 -3.151 9.503 1.00 0.00 C ATOM 1048 O LEU A 131 -10.139 -2.719 9.231 1.00 0.00 O ATOM 1049 CB LEU A 131 -8.053 -4.086 7.394 1.00 0.00 C ATOM 1050 CG LEU A 131 -7.277 -5.183 6.663 1.00 0.00 C ATOM 1051 CD1 LEU A 131 -6.938 -4.744 5.247 1.00 0.00 C ATOM 1052 CD2 LEU A 131 -6.012 -5.542 7.429 1.00 0.00 C ATOM 0 H LEU A 131 -10.420 -5.165 8.576 1.00 0.00 H new ATOM 0 HA LEU A 131 -7.613 -4.758 9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -8.946 -3.852 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -7.439 -3.185 7.412 1.00 0.00 H new ATOM 0 HG LEU A 131 -7.907 -6.070 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -6.386 -5.537 4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -7.858 -4.538 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.327 -3.842 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -5.473 -6.324 6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.378 -4.660 7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -6.278 -5.900 8.424 1.00 0.00 H new ATOM 1064 N ARG A 132 -8.212 -2.568 10.384 1.00 0.00 N ATOM 1065 CA ARG A 132 -8.607 -1.359 11.098 1.00 0.00 C ATOM 1066 C ARG A 132 -8.087 -0.113 10.388 1.00 0.00 C ATOM 1067 O ARG A 132 -6.982 0.356 10.663 1.00 0.00 O ATOM 1068 CB ARG A 132 -8.083 -1.397 12.535 1.00 0.00 C ATOM 1069 CG ARG A 132 -9.040 -2.056 13.515 1.00 0.00 C ATOM 1070 CD ARG A 132 -8.497 -2.016 14.935 1.00 0.00 C ATOM 1071 NE ARG A 132 -7.222 -2.720 15.054 1.00 0.00 N ATOM 1072 CZ ARG A 132 -6.705 -3.113 16.212 1.00 0.00 C ATOM 1073 NH1 ARG A 132 -7.350 -2.873 17.346 1.00 0.00 N ATOM 1074 NH2 ARG A 132 -5.540 -3.748 16.239 1.00 0.00 N ATOM 0 H ARG A 132 -7.282 -2.913 10.621 1.00 0.00 H new ATOM 0 HA ARG A 132 -9.696 -1.317 11.116 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -7.133 -1.932 12.552 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -7.881 -0.378 12.866 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -10.005 -1.551 13.479 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -9.211 -3.091 13.218 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -8.369 -0.979 15.245 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -9.223 -2.464 15.613 1.00 0.00 H new ATOM 0 HE ARG A 132 -6.701 -2.920 14.201 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.246 -2.385 17.330 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -6.950 -3.176 18.234 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -5.041 -3.935 15.369 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -5.144 -4.049 17.129 1.00 0.00 H new ATOM 1088 N VAL A 133 -8.890 0.418 9.472 1.00 0.00 N ATOM 1089 CA VAL A 133 -8.512 1.610 8.722 1.00 0.00 C ATOM 1090 C VAL A 133 -9.140 2.862 9.325 1.00 0.00 C ATOM 1091 O VAL A 133 -10.350 2.918 9.542 1.00 0.00 O ATOM 1092 CB VAL A 133 -8.931 1.500 7.244 1.00 0.00 C ATOM 1093 CG1 VAL A 133 -8.472 2.724 6.466 1.00 0.00 C ATOM 1094 CG2 VAL A 133 -8.374 0.226 6.626 1.00 0.00 C ATOM 0 H VAL A 133 -9.807 0.042 9.231 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.426 1.688 8.779 1.00 0.00 H new ATOM 0 HB VAL A 133 -10.019 1.455 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -8.777 2.628 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -8.923 3.618 6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.386 2.804 6.520 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.680 0.164 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.286 0.238 6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.757 -0.639 7.168 1.00 0.00 H new ATOM 1104 N ARG A 134 -8.309 3.863 9.595 1.00 0.00 N ATOM 1105 CA ARG A 134 -8.783 5.114 10.174 1.00 0.00 C ATOM 1106 C ARG A 134 -8.074 6.309 9.541 1.00 0.00 C ATOM 1107 O ARG A 134 -6.919 6.227 9.124 1.00 0.00 O ATOM 1108 CB ARG A 134 -8.558 5.118 11.687 1.00 0.00 C ATOM 1109 CG ARG A 134 -7.112 5.357 12.088 1.00 0.00 C ATOM 1110 CD ARG A 134 -6.908 5.164 13.583 1.00 0.00 C ATOM 1111 NE ARG A 134 -7.115 6.403 14.328 1.00 0.00 N ATOM 1112 CZ ARG A 134 -7.439 6.441 15.615 1.00 0.00 C ATOM 1113 NH1 ARG A 134 -7.593 5.314 16.297 1.00 0.00 N ATOM 1114 NH2 ARG A 134 -7.610 7.607 16.224 1.00 0.00 N ATOM 0 H ARG A 134 -7.304 3.832 9.422 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.851 5.197 9.972 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.183 5.890 12.136 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.887 4.163 12.097 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.464 4.673 11.540 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -6.818 6.368 11.807 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.597 4.402 13.948 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -5.899 4.795 13.767 1.00 0.00 H new ATOM 0 HE ARG A 134 -7.005 7.288 13.832 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -7.462 4.415 15.833 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -7.842 5.346 17.286 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -7.493 8.476 15.703 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -7.859 7.634 17.213 1.00 0.00 H new ATOM 1128 N PRO A 135 -8.782 7.446 9.468 1.00 0.00 N ATOM 1129 CA PRO A 135 -8.242 8.679 8.888 1.00 0.00 C ATOM 1130 C PRO A 135 -6.830 8.980 9.378 1.00 0.00 C ATOM 1131 O PRO A 135 -6.412 8.497 10.431 1.00 0.00 O ATOM 1132 CB PRO A 135 -9.217 9.755 9.371 1.00 0.00 C ATOM 1133 CG PRO A 135 -10.508 9.038 9.564 1.00 0.00 C ATOM 1134 CD PRO A 135 -10.165 7.615 9.946 1.00 0.00 C ATOM 0 HA PRO A 135 -8.159 8.617 7.803 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -8.875 10.211 10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -9.315 10.557 8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -11.102 9.515 10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -11.103 9.060 8.651 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -10.238 7.461 11.023 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -10.841 6.901 9.476 1.00 0.00 H new ATOM 1142 N ARG A 136 -6.099 9.780 8.609 1.00 0.00 N ATOM 1143 CA ARG A 136 -4.733 10.145 8.965 1.00 0.00 C ATOM 1144 C ARG A 136 -4.597 11.656 9.122 1.00 0.00 C ATOM 1145 O ARG A 136 -4.400 12.375 8.143 1.00 0.00 O ATOM 1146 CB ARG A 136 -3.755 9.641 7.903 1.00 0.00 C ATOM 1147 CG ARG A 136 -3.264 8.224 8.150 1.00 0.00 C ATOM 1148 CD ARG A 136 -2.176 8.188 9.212 1.00 0.00 C ATOM 1149 NE ARG A 136 -2.728 8.069 10.558 1.00 0.00 N ATOM 1150 CZ ARG A 136 -1.999 8.172 11.664 1.00 0.00 C ATOM 1151 NH1 ARG A 136 -0.694 8.396 11.583 1.00 0.00 N ATOM 1152 NH2 ARG A 136 -2.574 8.052 12.853 1.00 0.00 N ATOM 0 H ARG A 136 -6.430 10.188 7.735 1.00 0.00 H new ATOM 0 HA ARG A 136 -4.495 9.676 9.920 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.238 9.684 6.927 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.897 10.312 7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -4.100 7.598 8.462 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -2.880 7.804 7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.509 7.348 9.019 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.575 9.095 9.146 1.00 0.00 H new ATOM 0 HE ARG A 136 -3.729 7.897 10.655 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.248 8.490 10.670 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.136 8.475 12.433 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -3.577 7.880 12.919 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -2.013 8.131 13.701 1.00 0.00 H new