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 121 GLN : amide:sc= 0.237! K(o=-1.5!,f=-3) USER MOD Set 1.2: A 124 HIS : no HD1:sc= -1.74 K(o=-1.5,f=-3.5) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -116:sc= 0.515 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.17) USER MOD Single : A 83 SER OG : rot -50:sc= 0.88 USER MOD Single : A 85 TYR OH : rot 12:sc= 0.417 USER MOD Single : A 94 SER OG : rot 59:sc= 1.21 USER MOD Single : A 97 MET CE :methyl -173:sc= -0.488 (180deg=-0.55) 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 -145:sc= -0.316 (180deg=-4.22!) USER MOD Single : A 120 SER OG : rot -53:sc= 0.394 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 54:sc= 1.25 USER MOD Single : A 129 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 85 N ARG A 66 -4.343 13.407 1.247 1.00 0.00 N ATOM 86 CA ARG A 66 -5.339 12.342 1.267 1.00 0.00 C ATOM 87 C ARG A 66 -4.708 11.015 1.678 1.00 0.00 C ATOM 88 O ARG A 66 -4.745 10.040 0.928 1.00 0.00 O ATOM 89 CB ARG A 66 -5.996 12.203 -0.107 1.00 0.00 C ATOM 90 CG ARG A 66 -6.517 13.515 -0.669 1.00 0.00 C ATOM 91 CD ARG A 66 -5.459 14.225 -1.500 1.00 0.00 C ATOM 92 NE ARG A 66 -5.613 15.677 -1.459 1.00 0.00 N ATOM 93 CZ ARG A 66 -4.649 16.528 -1.790 1.00 0.00 C ATOM 94 NH1 ARG A 66 -3.467 16.075 -2.185 1.00 0.00 N ATOM 95 NH2 ARG A 66 -4.866 17.835 -1.726 1.00 0.00 N ATOM 0 HA ARG A 66 -6.101 12.605 2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.273 11.780 -0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.822 11.495 -0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.397 13.325 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.834 14.162 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.469 13.955 -1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.520 13.883 -2.533 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.510 16.058 -1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.297 15.071 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.728 16.731 -2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.774 18.187 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.125 18.488 -1.980 1.00 0.00 H new ATOM 109 N SER A 67 -4.128 10.987 2.874 1.00 0.00 N ATOM 110 CA SER A 67 -3.485 9.781 3.383 1.00 0.00 C ATOM 111 C SER A 67 -4.328 9.137 4.479 1.00 0.00 C ATOM 112 O SER A 67 -5.124 9.805 5.139 1.00 0.00 O ATOM 113 CB SER A 67 -2.091 10.110 3.922 1.00 0.00 C ATOM 114 OG SER A 67 -1.317 10.792 2.951 1.00 0.00 O ATOM 0 H SER A 67 -4.090 11.785 3.508 1.00 0.00 H new ATOM 0 HA SER A 67 -3.391 9.074 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.180 10.724 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.585 9.190 4.215 1.00 0.00 H new ATOM 0 HG SER A 67 -0.432 10.992 3.320 1.00 0.00 H new ATOM 120 N VAL A 68 -4.146 7.834 4.668 1.00 0.00 N ATOM 121 CA VAL A 68 -4.888 7.098 5.685 1.00 0.00 C ATOM 122 C VAL A 68 -4.001 6.067 6.374 1.00 0.00 C ATOM 123 O VAL A 68 -3.098 5.499 5.760 1.00 0.00 O ATOM 124 CB VAL A 68 -6.112 6.384 5.080 1.00 0.00 C ATOM 125 CG1 VAL A 68 -7.075 7.395 4.476 1.00 0.00 C ATOM 126 CG2 VAL A 68 -5.673 5.365 4.040 1.00 0.00 C ATOM 0 H VAL A 68 -3.491 7.266 4.130 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.229 7.828 6.419 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.633 5.854 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.933 6.873 4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.414 8.082 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.569 7.955 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.550 4.870 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.128 5.870 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.026 4.623 4.508 1.00 0.00 H new ATOM 136 N PHE A 69 -4.265 5.829 7.655 1.00 0.00 N ATOM 137 CA PHE A 69 -3.490 4.866 8.429 1.00 0.00 C ATOM 138 C PHE A 69 -4.161 3.496 8.420 1.00 0.00 C ATOM 139 O PHE A 69 -5.285 3.339 8.898 1.00 0.00 O ATOM 140 CB PHE A 69 -3.322 5.355 9.869 1.00 0.00 C ATOM 141 CG PHE A 69 -2.601 4.378 10.753 1.00 0.00 C ATOM 142 CD1 PHE A 69 -1.218 4.296 10.734 1.00 0.00 C ATOM 143 CD2 PHE A 69 -3.307 3.542 11.604 1.00 0.00 C ATOM 144 CE1 PHE A 69 -0.553 3.397 11.547 1.00 0.00 C ATOM 145 CE2 PHE A 69 -2.646 2.641 12.418 1.00 0.00 C ATOM 146 CZ PHE A 69 -1.267 2.570 12.390 1.00 0.00 C ATOM 0 H PHE A 69 -5.009 6.290 8.179 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.507 4.773 7.967 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.776 6.298 9.863 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.306 5.559 10.292 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.653 4.941 10.077 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.385 3.595 11.631 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.525 3.342 11.522 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.207 1.993 13.075 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.748 1.869 13.027 1.00 0.00 H new ATOM 156 N VAL A 70 -3.464 2.506 7.872 1.00 0.00 N ATOM 157 CA VAL A 70 -3.991 1.148 7.800 1.00 0.00 C ATOM 158 C VAL A 70 -3.185 0.199 8.681 1.00 0.00 C ATOM 159 O VAL A 70 -1.963 0.309 8.773 1.00 0.00 O ATOM 160 CB VAL A 70 -3.984 0.619 6.354 1.00 0.00 C ATOM 161 CG1 VAL A 70 -4.337 -0.860 6.325 1.00 0.00 C ATOM 162 CG2 VAL A 70 -4.944 1.422 5.489 1.00 0.00 C ATOM 0 H VAL A 70 -2.533 2.619 7.471 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.019 1.188 8.159 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.980 0.736 5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.327 -1.216 5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.607 -1.420 6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.330 -1.005 6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.927 1.035 4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.953 1.338 5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.641 2.469 5.484 1.00 0.00 H new ATOM 172 N SER A 71 -3.879 -0.733 9.326 1.00 0.00 N ATOM 173 CA SER A 71 -3.229 -1.701 10.202 1.00 0.00 C ATOM 174 C SER A 71 -4.168 -2.859 10.524 1.00 0.00 C ATOM 175 O SER A 71 -5.355 -2.658 10.777 1.00 0.00 O ATOM 176 CB SER A 71 -2.773 -1.023 11.496 1.00 0.00 C ATOM 177 OG SER A 71 -3.855 -0.368 12.136 1.00 0.00 O ATOM 0 H SER A 71 -4.891 -0.838 9.259 1.00 0.00 H new ATOM 0 HA SER A 71 -2.357 -2.098 9.681 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.344 -1.766 12.168 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.986 -0.302 11.275 1.00 0.00 H new ATOM 0 HG SER A 71 -3.685 0.597 12.160 1.00 0.00 H new ATOM 183 N GLY A 72 -3.626 -4.073 10.513 1.00 0.00 N ATOM 184 CA GLY A 72 -4.429 -5.247 10.805 1.00 0.00 C ATOM 185 C GLY A 72 -4.363 -6.284 9.702 1.00 0.00 C ATOM 186 O GLY A 72 -5.277 -7.093 9.545 1.00 0.00 O ATOM 0 H GLY A 72 -2.646 -4.265 10.307 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.088 -5.693 11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.466 -4.946 10.955 1.00 0.00 H new ATOM 190 N PHE A 73 -3.279 -6.260 8.933 1.00 0.00 N ATOM 191 CA PHE A 73 -3.098 -7.203 7.836 1.00 0.00 C ATOM 192 C PHE A 73 -2.388 -8.466 8.317 1.00 0.00 C ATOM 193 O PHE A 73 -1.661 -8.460 9.310 1.00 0.00 O ATOM 194 CB PHE A 73 -2.299 -6.555 6.704 1.00 0.00 C ATOM 195 CG PHE A 73 -1.132 -5.741 7.184 1.00 0.00 C ATOM 196 CD1 PHE A 73 -1.302 -4.420 7.566 1.00 0.00 C ATOM 197 CD2 PHE A 73 0.136 -6.296 7.252 1.00 0.00 C ATOM 198 CE1 PHE A 73 -0.229 -3.668 8.009 1.00 0.00 C ATOM 199 CE2 PHE A 73 1.212 -5.550 7.694 1.00 0.00 C ATOM 200 CZ PHE A 73 1.029 -4.234 8.072 1.00 0.00 C ATOM 0 H PHE A 73 -2.513 -5.597 9.050 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.084 -7.481 7.462 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.937 -7.334 6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.962 -5.916 6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.284 -3.972 7.517 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.285 -7.324 6.956 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.375 -2.640 8.305 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.195 -5.995 7.744 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.869 -3.649 8.416 1.00 0.00 H new ATOM 210 N PRO A 74 -2.605 -9.576 7.596 1.00 0.00 N ATOM 211 CA PRO A 74 -1.996 -10.867 7.928 1.00 0.00 C ATOM 212 C PRO A 74 -0.519 -10.925 7.553 1.00 0.00 C ATOM 213 O PRO A 74 0.039 -9.957 7.037 1.00 0.00 O ATOM 214 CB PRO A 74 -2.800 -11.865 7.091 1.00 0.00 C ATOM 215 CG PRO A 74 -3.277 -11.079 5.919 1.00 0.00 C ATOM 216 CD PRO A 74 -3.460 -9.656 6.400 1.00 0.00 C ATOM 0 HA PRO A 74 -2.025 -11.068 8.999 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.183 -12.707 6.778 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.635 -12.276 7.659 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.555 -11.123 5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.215 -11.483 5.537 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.155 -8.935 5.641 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.502 -9.446 6.639 1.00 0.00 H new ATOM 224 N ARG A 75 0.109 -12.067 7.815 1.00 0.00 N ATOM 225 CA ARG A 75 1.522 -12.250 7.505 1.00 0.00 C ATOM 226 C ARG A 75 1.711 -12.649 6.045 1.00 0.00 C ATOM 227 O ARG A 75 0.859 -13.314 5.457 1.00 0.00 O ATOM 228 CB ARG A 75 2.132 -13.315 8.419 1.00 0.00 C ATOM 229 CG ARG A 75 1.536 -14.699 8.224 1.00 0.00 C ATOM 230 CD ARG A 75 2.046 -15.678 9.270 1.00 0.00 C ATOM 231 NE ARG A 75 3.275 -16.342 8.845 1.00 0.00 N ATOM 232 CZ ARG A 75 3.308 -17.320 7.946 1.00 0.00 C ATOM 233 NH1 ARG A 75 2.187 -17.743 7.380 1.00 0.00 N ATOM 234 NH2 ARG A 75 4.466 -17.875 7.610 1.00 0.00 N ATOM 0 H ARG A 75 -0.338 -12.879 8.241 1.00 0.00 H new ATOM 0 HA ARG A 75 2.031 -11.301 7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.206 -13.363 8.240 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.995 -13.013 9.457 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.449 -14.639 8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.785 -15.066 7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.225 -15.148 10.206 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.280 -16.427 9.470 1.00 0.00 H new ATOM 0 HE ARG A 75 4.156 -16.039 9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.295 -17.318 7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.216 -18.494 6.690 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.331 -17.551 8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.491 -18.626 6.920 1.00 0.00 H new ATOM 248 N GLY A 76 2.834 -12.237 5.464 1.00 0.00 N ATOM 249 CA GLY A 76 3.114 -12.560 4.077 1.00 0.00 C ATOM 250 C GLY A 76 2.411 -11.627 3.112 1.00 0.00 C ATOM 251 O GLY A 76 2.112 -12.004 1.979 1.00 0.00 O ATOM 0 H GLY A 76 3.555 -11.685 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.189 -12.512 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.805 -13.586 3.876 1.00 0.00 H new ATOM 255 N VAL A 77 2.146 -10.404 3.560 1.00 0.00 N ATOM 256 CA VAL A 77 1.473 -9.414 2.728 1.00 0.00 C ATOM 257 C VAL A 77 2.477 -8.469 2.077 1.00 0.00 C ATOM 258 O VAL A 77 3.395 -7.975 2.733 1.00 0.00 O ATOM 259 CB VAL A 77 0.462 -8.587 3.544 1.00 0.00 C ATOM 260 CG1 VAL A 77 -0.096 -7.447 2.707 1.00 0.00 C ATOM 261 CG2 VAL A 77 -0.658 -9.477 4.062 1.00 0.00 C ATOM 0 H VAL A 77 2.387 -10.075 4.495 1.00 0.00 H new ATOM 0 HA VAL A 77 0.939 -9.964 1.953 1.00 0.00 H new ATOM 0 HB VAL A 77 0.979 -8.156 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.808 -6.874 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.719 -6.796 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.599 -7.852 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.364 -8.877 4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.175 -9.938 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.239 -10.255 4.701 1.00 0.00 H new ATOM 271 N ASP A 78 2.297 -8.221 0.785 1.00 0.00 N ATOM 272 CA ASP A 78 3.186 -7.333 0.045 1.00 0.00 C ATOM 273 C ASP A 78 2.472 -6.039 -0.332 1.00 0.00 C ATOM 274 O ASP A 78 1.331 -6.060 -0.794 1.00 0.00 O ATOM 275 CB ASP A 78 3.704 -8.030 -1.215 1.00 0.00 C ATOM 276 CG ASP A 78 4.088 -9.475 -0.961 1.00 0.00 C ATOM 277 OD1 ASP A 78 5.207 -9.713 -0.461 1.00 0.00 O ATOM 278 OD2 ASP A 78 3.268 -10.367 -1.262 1.00 0.00 O ATOM 0 H ASP A 78 1.543 -8.623 0.228 1.00 0.00 H new ATOM 0 HA ASP A 78 4.031 -7.086 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.938 -7.991 -1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.570 -7.489 -1.596 1.00 0.00 H new ATOM 283 N SER A 79 3.151 -4.914 -0.131 1.00 0.00 N ATOM 284 CA SER A 79 2.580 -3.610 -0.445 1.00 0.00 C ATOM 285 C SER A 79 1.703 -3.687 -1.691 1.00 0.00 C ATOM 286 O SER A 79 0.699 -2.983 -1.802 1.00 0.00 O ATOM 287 CB SER A 79 3.691 -2.579 -0.653 1.00 0.00 C ATOM 288 OG SER A 79 4.564 -2.974 -1.698 1.00 0.00 O ATOM 0 H SER A 79 4.097 -4.880 0.248 1.00 0.00 H new ATOM 0 HA SER A 79 1.960 -3.301 0.397 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.252 -1.609 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.256 -2.457 0.271 1.00 0.00 H new ATOM 0 HG SER A 79 5.264 -2.298 -1.812 1.00 0.00 H new ATOM 294 N ALA A 80 2.090 -4.547 -2.627 1.00 0.00 N ATOM 295 CA ALA A 80 1.339 -4.718 -3.865 1.00 0.00 C ATOM 296 C ALA A 80 -0.087 -5.178 -3.583 1.00 0.00 C ATOM 297 O ALA A 80 -1.050 -4.535 -3.999 1.00 0.00 O ATOM 298 CB ALA A 80 2.045 -5.710 -4.778 1.00 0.00 C ATOM 0 H ALA A 80 2.919 -5.136 -2.552 1.00 0.00 H new ATOM 0 HA ALA A 80 1.289 -3.752 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.473 -5.828 -5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.042 -5.340 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.126 -6.674 -4.275 1.00 0.00 H new ATOM 304 N GLN A 81 -0.214 -6.296 -2.874 1.00 0.00 N ATOM 305 CA GLN A 81 -1.523 -6.842 -2.538 1.00 0.00 C ATOM 306 C GLN A 81 -2.422 -5.769 -1.932 1.00 0.00 C ATOM 307 O GLN A 81 -3.553 -5.568 -2.375 1.00 0.00 O ATOM 308 CB GLN A 81 -1.377 -8.012 -1.564 1.00 0.00 C ATOM 309 CG GLN A 81 -1.120 -9.345 -2.248 1.00 0.00 C ATOM 310 CD GLN A 81 -0.606 -10.402 -1.291 1.00 0.00 C ATOM 311 OE1 GLN A 81 -1.341 -11.306 -0.892 1.00 0.00 O ATOM 312 NE2 GLN A 81 0.663 -10.295 -0.916 1.00 0.00 N ATOM 0 H GLN A 81 0.573 -6.840 -2.522 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.986 -7.200 -3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.557 -7.802 -0.877 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.284 -8.090 -0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.043 -9.696 -2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.396 -9.204 -3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.237 -9.530 -1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.064 -10.978 -0.273 1.00 0.00 H new ATOM 321 N LEU A 82 -1.911 -5.082 -0.916 1.00 0.00 N ATOM 322 CA LEU A 82 -2.667 -4.028 -0.248 1.00 0.00 C ATOM 323 C LEU A 82 -3.219 -3.028 -1.259 1.00 0.00 C ATOM 324 O LEU A 82 -4.432 -2.863 -1.385 1.00 0.00 O ATOM 325 CB LEU A 82 -1.782 -3.306 0.770 1.00 0.00 C ATOM 326 CG LEU A 82 -1.558 -4.031 2.098 1.00 0.00 C ATOM 327 CD1 LEU A 82 -0.343 -3.464 2.816 1.00 0.00 C ATOM 328 CD2 LEU A 82 -2.795 -3.929 2.977 1.00 0.00 C ATOM 0 H LEU A 82 -0.977 -5.236 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.506 -4.491 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.811 -3.122 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.225 -2.332 0.981 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.372 -5.084 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.199 -3.991 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.541 -3.590 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.499 -2.404 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.617 -4.451 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.012 -2.880 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.643 -4.383 2.465 1.00 0.00 H new ATOM 340 N SER A 83 -2.319 -2.366 -1.979 1.00 0.00 N ATOM 341 CA SER A 83 -2.716 -1.381 -2.979 1.00 0.00 C ATOM 342 C SER A 83 -3.851 -1.915 -3.847 1.00 0.00 C ATOM 343 O SER A 83 -4.920 -1.312 -3.929 1.00 0.00 O ATOM 344 CB SER A 83 -1.521 -1.004 -3.857 1.00 0.00 C ATOM 345 OG SER A 83 -1.077 -2.115 -4.618 1.00 0.00 O ATOM 0 H SER A 83 -1.311 -2.493 -1.889 1.00 0.00 H new ATOM 0 HA SER A 83 -3.069 -0.492 -2.457 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.799 -0.189 -4.525 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.707 -0.639 -3.231 1.00 0.00 H new ATOM 0 HG SER A 83 -0.953 -2.887 -4.028 1.00 0.00 H new ATOM 351 N GLU A 84 -3.609 -3.051 -4.494 1.00 0.00 N ATOM 352 CA GLU A 84 -4.611 -3.667 -5.357 1.00 0.00 C ATOM 353 C GLU A 84 -5.971 -3.709 -4.667 1.00 0.00 C ATOM 354 O GLU A 84 -7.002 -3.445 -5.287 1.00 0.00 O ATOM 355 CB GLU A 84 -4.180 -5.082 -5.746 1.00 0.00 C ATOM 356 CG GLU A 84 -4.729 -5.538 -7.088 1.00 0.00 C ATOM 357 CD GLU A 84 -4.768 -7.048 -7.219 1.00 0.00 C ATOM 358 OE1 GLU A 84 -5.521 -7.690 -6.456 1.00 0.00 O ATOM 359 OE2 GLU A 84 -4.048 -7.588 -8.084 1.00 0.00 O ATOM 0 H GLU A 84 -2.729 -3.563 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.699 -3.061 -6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.091 -5.126 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.507 -5.778 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.735 -5.139 -7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.115 -5.123 -7.887 1.00 0.00 H new ATOM 366 N TYR A 85 -5.966 -4.043 -3.381 1.00 0.00 N ATOM 367 CA TYR A 85 -7.199 -4.123 -2.607 1.00 0.00 C ATOM 368 C TYR A 85 -7.763 -2.731 -2.336 1.00 0.00 C ATOM 369 O TYR A 85 -8.965 -2.566 -2.128 1.00 0.00 O ATOM 370 CB TYR A 85 -6.950 -4.851 -1.286 1.00 0.00 C ATOM 371 CG TYR A 85 -8.066 -4.680 -0.280 1.00 0.00 C ATOM 372 CD1 TYR A 85 -9.140 -5.561 -0.247 1.00 0.00 C ATOM 373 CD2 TYR A 85 -8.046 -3.637 0.638 1.00 0.00 C ATOM 374 CE1 TYR A 85 -10.162 -5.408 0.669 1.00 0.00 C ATOM 375 CE2 TYR A 85 -9.063 -3.477 1.559 1.00 0.00 C ATOM 376 CZ TYR A 85 -10.119 -4.364 1.570 1.00 0.00 C ATOM 377 OH TYR A 85 -11.135 -4.209 2.486 1.00 0.00 O ATOM 0 H TYR A 85 -5.122 -4.263 -2.853 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.929 -4.684 -3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.813 -5.914 -1.487 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.020 -4.486 -0.850 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.176 -6.380 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.221 -2.940 0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -10.990 -6.101 0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.031 -2.662 2.267 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.696 -5.013 2.491 1.00 0.00 H new ATOM 387 N PHE A 86 -6.886 -1.733 -2.340 1.00 0.00 N ATOM 388 CA PHE A 86 -7.294 -0.355 -2.094 1.00 0.00 C ATOM 389 C PHE A 86 -7.623 0.356 -3.403 1.00 0.00 C ATOM 390 O PHE A 86 -8.037 1.516 -3.405 1.00 0.00 O ATOM 391 CB PHE A 86 -6.190 0.402 -1.352 1.00 0.00 C ATOM 392 CG PHE A 86 -6.162 0.126 0.124 1.00 0.00 C ATOM 393 CD1 PHE A 86 -7.217 0.514 0.934 1.00 0.00 C ATOM 394 CD2 PHE A 86 -5.081 -0.520 0.701 1.00 0.00 C ATOM 395 CE1 PHE A 86 -7.195 0.263 2.293 1.00 0.00 C ATOM 396 CE2 PHE A 86 -5.054 -0.775 2.059 1.00 0.00 C ATOM 397 CZ PHE A 86 -6.111 -0.382 2.857 1.00 0.00 C ATOM 0 H PHE A 86 -5.888 -1.853 -2.511 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.191 -0.373 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.225 0.134 -1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.324 1.472 -1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.067 1.019 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.250 -0.828 0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -8.024 0.571 2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.206 -1.282 2.496 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.090 -0.578 3.919 1.00 0.00 H new ATOM 407 N LEU A 87 -7.435 -0.346 -4.515 1.00 0.00 N ATOM 408 CA LEU A 87 -7.711 0.217 -5.832 1.00 0.00 C ATOM 409 C LEU A 87 -9.186 0.068 -6.189 1.00 0.00 C ATOM 410 O LEU A 87 -9.665 0.667 -7.152 1.00 0.00 O ATOM 411 CB LEU A 87 -6.846 -0.466 -6.892 1.00 0.00 C ATOM 412 CG LEU A 87 -5.380 -0.034 -6.942 1.00 0.00 C ATOM 413 CD1 LEU A 87 -4.577 -0.972 -7.830 1.00 0.00 C ATOM 414 CD2 LEU A 87 -5.263 1.400 -7.435 1.00 0.00 C ATOM 0 H LEU A 87 -7.092 -1.307 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.468 1.279 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.881 -1.542 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.292 -0.282 -7.870 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.972 -0.084 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.536 -0.649 -7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.633 -1.986 -7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.985 -0.955 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.213 1.690 -7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.688 1.477 -8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.804 2.062 -6.759 1.00 0.00 H new ATOM 426 N ALA A 88 -9.902 -0.733 -5.407 1.00 0.00 N ATOM 427 CA ALA A 88 -11.323 -0.958 -5.638 1.00 0.00 C ATOM 428 C ALA A 88 -12.139 0.282 -5.286 1.00 0.00 C ATOM 429 O ALA A 88 -13.346 0.331 -5.525 1.00 0.00 O ATOM 430 CB ALA A 88 -11.806 -2.156 -4.835 1.00 0.00 C ATOM 0 H ALA A 88 -9.520 -1.237 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.465 -1.166 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.869 -2.312 -5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.252 -3.044 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.644 -1.972 -3.773 1.00 0.00 H new ATOM 436 N PHE A 89 -11.473 1.281 -4.717 1.00 0.00 N ATOM 437 CA PHE A 89 -12.138 2.520 -4.331 1.00 0.00 C ATOM 438 C PHE A 89 -11.451 3.726 -4.965 1.00 0.00 C ATOM 439 O PHE A 89 -12.101 4.708 -5.321 1.00 0.00 O ATOM 440 CB PHE A 89 -12.145 2.666 -2.808 1.00 0.00 C ATOM 441 CG PHE A 89 -12.546 1.411 -2.087 1.00 0.00 C ATOM 442 CD1 PHE A 89 -13.882 1.124 -1.859 1.00 0.00 C ATOM 443 CD2 PHE A 89 -11.586 0.517 -1.639 1.00 0.00 C ATOM 444 CE1 PHE A 89 -14.253 -0.031 -1.195 1.00 0.00 C ATOM 445 CE2 PHE A 89 -11.952 -0.639 -0.975 1.00 0.00 C ATOM 446 CZ PHE A 89 -13.287 -0.914 -0.754 1.00 0.00 C ATOM 0 H PHE A 89 -10.474 1.257 -4.513 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.166 2.479 -4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.151 2.965 -2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.829 3.469 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -14.642 1.810 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -10.540 0.726 -1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -15.298 -0.242 -1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -11.194 -1.327 -0.629 1.00 0.00 H new ATOM 0 HZ PHE A 89 -13.575 -1.818 -0.237 1.00 0.00 H new ATOM 456 N GLY A 90 -10.131 3.644 -5.103 1.00 0.00 N ATOM 457 CA GLY A 90 -9.377 4.734 -5.693 1.00 0.00 C ATOM 458 C GLY A 90 -7.913 4.390 -5.884 1.00 0.00 C ATOM 459 O GLY A 90 -7.405 3.414 -5.332 1.00 0.00 O ATOM 0 H GLY A 90 -9.570 2.841 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.815 4.994 -6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.460 5.615 -5.057 1.00 0.00 H new ATOM 463 N PRO A 91 -7.210 5.204 -6.685 1.00 0.00 N ATOM 464 CA PRO A 91 -5.786 5.000 -6.967 1.00 0.00 C ATOM 465 C PRO A 91 -4.905 5.317 -5.764 1.00 0.00 C ATOM 466 O PRO A 91 -4.951 6.422 -5.221 1.00 0.00 O ATOM 467 CB PRO A 91 -5.506 5.982 -8.108 1.00 0.00 C ATOM 468 CG PRO A 91 -6.517 7.062 -7.934 1.00 0.00 C ATOM 469 CD PRO A 91 -7.750 6.387 -7.376 1.00 0.00 C ATOM 0 HA PRO A 91 -5.565 3.962 -7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.491 6.376 -8.051 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.606 5.499 -9.080 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.152 7.833 -7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.735 7.550 -8.884 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.290 7.040 -6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.447 6.107 -8.166 1.00 0.00 H new ATOM 477 N VAL A 92 -4.102 4.342 -5.350 1.00 0.00 N ATOM 478 CA VAL A 92 -3.209 4.518 -4.211 1.00 0.00 C ATOM 479 C VAL A 92 -1.860 5.076 -4.652 1.00 0.00 C ATOM 480 O VAL A 92 -1.066 4.381 -5.286 1.00 0.00 O ATOM 481 CB VAL A 92 -2.983 3.190 -3.465 1.00 0.00 C ATOM 482 CG1 VAL A 92 -1.889 3.344 -2.419 1.00 0.00 C ATOM 483 CG2 VAL A 92 -4.279 2.711 -2.827 1.00 0.00 C ATOM 0 H VAL A 92 -4.052 3.422 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.690 5.227 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.660 2.439 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.744 2.395 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.959 3.638 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.179 4.109 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.101 1.771 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.634 3.459 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.031 2.559 -3.601 1.00 0.00 H new ATOM 493 N ALA A 93 -1.607 6.335 -4.310 1.00 0.00 N ATOM 494 CA ALA A 93 -0.353 6.986 -4.668 1.00 0.00 C ATOM 495 C ALA A 93 0.844 6.129 -4.269 1.00 0.00 C ATOM 496 O ALA A 93 1.756 5.912 -5.066 1.00 0.00 O ATOM 497 CB ALA A 93 -0.265 8.357 -4.013 1.00 0.00 C ATOM 0 H ALA A 93 -2.254 6.924 -3.786 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.333 7.110 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.676 8.832 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.096 8.976 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.312 8.246 -2.930 1.00 0.00 H new ATOM 503 N SER A 94 0.833 5.646 -3.031 1.00 0.00 N ATOM 504 CA SER A 94 1.921 4.816 -2.526 1.00 0.00 C ATOM 505 C SER A 94 1.551 4.197 -1.181 1.00 0.00 C ATOM 506 O SER A 94 0.572 4.593 -0.550 1.00 0.00 O ATOM 507 CB SER A 94 3.199 5.644 -2.385 1.00 0.00 C ATOM 508 OG SER A 94 3.933 5.659 -3.597 1.00 0.00 O ATOM 0 H SER A 94 0.084 5.815 -2.360 1.00 0.00 H new ATOM 0 HA SER A 94 2.095 4.012 -3.241 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.945 6.664 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.817 5.232 -1.587 1.00 0.00 H new ATOM 0 HG SER A 94 3.375 6.029 -4.313 1.00 0.00 H new ATOM 514 N VAL A 95 2.344 3.221 -0.749 1.00 0.00 N ATOM 515 CA VAL A 95 2.102 2.546 0.521 1.00 0.00 C ATOM 516 C VAL A 95 3.392 2.402 1.321 1.00 0.00 C ATOM 517 O VAL A 95 4.409 1.942 0.801 1.00 0.00 O ATOM 518 CB VAL A 95 1.485 1.151 0.307 1.00 0.00 C ATOM 519 CG1 VAL A 95 1.358 0.415 1.632 1.00 0.00 C ATOM 520 CG2 VAL A 95 0.133 1.267 -0.380 1.00 0.00 C ATOM 0 H VAL A 95 3.159 2.880 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 95 1.399 3.164 1.079 1.00 0.00 H new ATOM 0 HB VAL A 95 2.147 0.575 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.920 -0.569 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.345 0.300 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.718 0.985 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.289 0.272 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.540 1.861 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.257 1.751 -1.348 1.00 0.00 H new ATOM 530 N VAL A 96 3.343 2.797 2.589 1.00 0.00 N ATOM 531 CA VAL A 96 4.508 2.710 3.462 1.00 0.00 C ATOM 532 C VAL A 96 4.260 1.743 4.614 1.00 0.00 C ATOM 533 O VAL A 96 3.772 2.136 5.674 1.00 0.00 O ATOM 534 CB VAL A 96 4.883 4.089 4.036 1.00 0.00 C ATOM 535 CG1 VAL A 96 6.045 3.965 5.010 1.00 0.00 C ATOM 536 CG2 VAL A 96 5.220 5.059 2.913 1.00 0.00 C ATOM 0 H VAL A 96 2.509 3.180 3.035 1.00 0.00 H new ATOM 0 HA VAL A 96 5.333 2.341 2.853 1.00 0.00 H new ATOM 0 HB VAL A 96 4.024 4.482 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.295 4.950 5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.763 3.306 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.911 3.551 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.483 6.029 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.063 4.673 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.356 5.171 2.258 1.00 0.00 H new ATOM 546 N MET A 97 4.599 0.476 4.400 1.00 0.00 N ATOM 547 CA MET A 97 4.415 -0.547 5.422 1.00 0.00 C ATOM 548 C MET A 97 5.727 -0.838 6.144 1.00 0.00 C ATOM 549 O MET A 97 6.751 -1.095 5.510 1.00 0.00 O ATOM 550 CB MET A 97 3.869 -1.832 4.796 1.00 0.00 C ATOM 551 CG MET A 97 4.865 -2.536 3.888 1.00 0.00 C ATOM 552 SD MET A 97 4.121 -3.891 2.960 1.00 0.00 S ATOM 553 CE MET A 97 3.610 -4.974 4.291 1.00 0.00 C ATOM 0 H MET A 97 5.003 0.133 3.528 1.00 0.00 H new ATOM 0 HA MET A 97 3.696 -0.171 6.150 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.569 -2.515 5.591 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.972 -1.595 4.224 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.289 -1.813 3.191 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.689 -2.921 4.489 1.00 0.00 H new ATOM 0 HE1 MET A 97 3.245 -5.913 3.876 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.459 -5.172 4.945 1.00 0.00 H new ATOM 0 HE3 MET A 97 2.815 -4.497 4.863 1.00 0.00 H new ATOM 563 N ASP A 98 5.690 -0.794 7.471 1.00 0.00 N ATOM 564 CA ASP A 98 6.876 -1.053 8.278 1.00 0.00 C ATOM 565 C ASP A 98 7.564 -2.341 7.835 1.00 0.00 C ATOM 566 O ASP A 98 6.936 -3.223 7.250 1.00 0.00 O ATOM 567 CB ASP A 98 6.502 -1.144 9.759 1.00 0.00 C ATOM 568 CG ASP A 98 7.718 -1.165 10.663 1.00 0.00 C ATOM 569 OD1 ASP A 98 8.354 -2.234 10.778 1.00 0.00 O ATOM 570 OD2 ASP A 98 8.035 -0.112 11.255 1.00 0.00 O ATOM 0 H ASP A 98 4.851 -0.581 8.011 1.00 0.00 H new ATOM 0 HA ASP A 98 7.569 -0.224 8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.871 -0.296 10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.912 -2.045 9.927 1.00 0.00 H new ATOM 575 N LYS A 99 8.859 -2.441 8.118 1.00 0.00 N ATOM 576 CA LYS A 99 9.634 -3.620 7.749 1.00 0.00 C ATOM 577 C LYS A 99 10.244 -4.277 8.983 1.00 0.00 C ATOM 578 O LYS A 99 10.240 -5.501 9.112 1.00 0.00 O ATOM 579 CB LYS A 99 10.739 -3.241 6.761 1.00 0.00 C ATOM 580 CG LYS A 99 11.771 -2.288 7.338 1.00 0.00 C ATOM 581 CD LYS A 99 12.527 -1.554 6.243 1.00 0.00 C ATOM 582 CE LYS A 99 13.352 -0.408 6.808 1.00 0.00 C ATOM 583 NZ LYS A 99 14.588 -0.893 7.482 1.00 0.00 N ATOM 0 H LYS A 99 9.394 -1.720 8.602 1.00 0.00 H new ATOM 0 HA LYS A 99 8.960 -4.333 7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.242 -4.148 6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.287 -2.784 5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.277 -1.565 7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 99 12.475 -2.844 7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.181 -2.252 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 99 11.821 -1.168 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.622 0.276 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.749 0.157 7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.122 -0.082 7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.330 -1.526 8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.176 -1.411 6.798 1.00 0.00 H new ATOM 597 N ASP A 100 10.766 -3.456 9.887 1.00 0.00 N ATOM 598 CA ASP A 100 11.378 -3.958 11.112 1.00 0.00 C ATOM 599 C ASP A 100 10.455 -4.949 11.814 1.00 0.00 C ATOM 600 O ASP A 100 10.842 -6.084 12.093 1.00 0.00 O ATOM 601 CB ASP A 100 11.712 -2.799 12.053 1.00 0.00 C ATOM 602 CG ASP A 100 12.697 -1.822 11.441 1.00 0.00 C ATOM 603 OD1 ASP A 100 12.608 -1.578 10.220 1.00 0.00 O ATOM 604 OD2 ASP A 100 13.557 -1.303 12.183 1.00 0.00 O ATOM 0 H ASP A 100 10.778 -2.440 9.795 1.00 0.00 H new ATOM 0 HA ASP A 100 12.299 -4.475 10.843 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.795 -2.271 12.314 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.126 -3.195 12.980 1.00 0.00 H new ATOM 609 N LYS A 101 9.233 -4.512 12.098 1.00 0.00 N ATOM 610 CA LYS A 101 8.253 -5.360 12.768 1.00 0.00 C ATOM 611 C LYS A 101 7.092 -5.690 11.836 1.00 0.00 C ATOM 612 O LYS A 101 6.764 -6.857 11.625 1.00 0.00 O ATOM 613 CB LYS A 101 7.729 -4.670 14.029 1.00 0.00 C ATOM 614 CG LYS A 101 8.591 -4.908 15.256 1.00 0.00 C ATOM 615 CD LYS A 101 7.792 -4.750 16.539 1.00 0.00 C ATOM 616 CE LYS A 101 7.637 -3.286 16.922 1.00 0.00 C ATOM 617 NZ LYS A 101 7.302 -3.122 18.363 1.00 0.00 N ATOM 0 H LYS A 101 8.897 -3.575 11.875 1.00 0.00 H new ATOM 0 HA LYS A 101 8.746 -6.291 13.049 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.662 -3.598 13.845 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.718 -5.022 14.232 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.017 -5.910 15.213 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.425 -4.206 15.257 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.807 -5.201 16.414 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.288 -5.288 17.347 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.562 -2.753 16.701 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.855 -2.832 16.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.205 -2.110 18.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.406 -3.609 18.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.060 -3.532 18.945 1.00 0.00 H new ATOM 631 N GLY A 102 6.473 -4.653 11.278 1.00 0.00 N ATOM 632 CA GLY A 102 5.356 -4.854 10.374 1.00 0.00 C ATOM 633 C GLY A 102 4.031 -4.959 11.103 1.00 0.00 C ATOM 634 O GLY A 102 3.419 -6.026 11.144 1.00 0.00 O ATOM 0 H GLY A 102 6.726 -3.678 11.436 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.313 -4.027 9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.521 -5.762 9.794 1.00 0.00 H new ATOM 638 N VAL A 103 3.587 -3.848 11.683 1.00 0.00 N ATOM 639 CA VAL A 103 2.327 -3.819 12.415 1.00 0.00 C ATOM 640 C VAL A 103 1.477 -2.623 11.999 1.00 0.00 C ATOM 641 O VAL A 103 0.388 -2.407 12.531 1.00 0.00 O ATOM 642 CB VAL A 103 2.562 -3.762 13.936 1.00 0.00 C ATOM 643 CG1 VAL A 103 2.981 -5.126 14.463 1.00 0.00 C ATOM 644 CG2 VAL A 103 3.606 -2.708 14.274 1.00 0.00 C ATOM 0 H VAL A 103 4.082 -2.956 11.660 1.00 0.00 H new ATOM 0 HA VAL A 103 1.798 -4.740 12.171 1.00 0.00 H new ATOM 0 HB VAL A 103 1.626 -3.483 14.421 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.143 -5.066 15.539 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.197 -5.854 14.254 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.904 -5.437 13.974 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.760 -2.681 15.353 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.546 -2.955 13.780 1.00 0.00 H new ATOM 0 HG23 VAL A 103 3.262 -1.732 13.932 1.00 0.00 H new ATOM 654 N PHE A 104 1.981 -1.850 11.043 1.00 0.00 N ATOM 655 CA PHE A 104 1.269 -0.675 10.555 1.00 0.00 C ATOM 656 C PHE A 104 1.715 -0.317 9.140 1.00 0.00 C ATOM 657 O PHE A 104 2.837 -0.623 8.736 1.00 0.00 O ATOM 658 CB PHE A 104 1.500 0.513 11.491 1.00 0.00 C ATOM 659 CG PHE A 104 2.915 1.015 11.485 1.00 0.00 C ATOM 660 CD1 PHE A 104 3.344 1.908 10.516 1.00 0.00 C ATOM 661 CD2 PHE A 104 3.818 0.592 12.448 1.00 0.00 C ATOM 662 CE1 PHE A 104 4.646 2.372 10.508 1.00 0.00 C ATOM 663 CE2 PHE A 104 5.121 1.053 12.445 1.00 0.00 C ATOM 664 CZ PHE A 104 5.536 1.943 11.473 1.00 0.00 C ATOM 0 H PHE A 104 2.880 -2.016 10.591 1.00 0.00 H new ATOM 0 HA PHE A 104 0.205 -0.909 10.533 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.833 1.326 11.204 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.230 0.223 12.506 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.653 2.245 9.758 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.500 -0.105 13.209 1.00 0.00 H new ATOM 0 HE1 PHE A 104 4.967 3.069 9.748 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.814 0.718 13.202 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.554 2.302 11.468 1.00 0.00 H new ATOM 674 N ALA A 105 0.829 0.332 8.393 1.00 0.00 N ATOM 675 CA ALA A 105 1.131 0.733 7.024 1.00 0.00 C ATOM 676 C ALA A 105 0.333 1.970 6.626 1.00 0.00 C ATOM 677 O ALA A 105 -0.890 2.004 6.768 1.00 0.00 O ATOM 678 CB ALA A 105 0.847 -0.412 6.064 1.00 0.00 C ATOM 0 H ALA A 105 -0.104 0.592 8.712 1.00 0.00 H new ATOM 0 HA ALA A 105 2.191 0.983 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.077 -0.099 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.465 -1.270 6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -0.205 -0.689 6.129 1.00 0.00 H new ATOM 684 N ILE A 106 1.033 2.984 6.128 1.00 0.00 N ATOM 685 CA ILE A 106 0.389 4.223 5.709 1.00 0.00 C ATOM 686 C ILE A 106 -0.057 4.146 4.253 1.00 0.00 C ATOM 687 O ILE A 106 0.759 4.253 3.336 1.00 0.00 O ATOM 688 CB ILE A 106 1.326 5.432 5.884 1.00 0.00 C ATOM 689 CG1 ILE A 106 1.995 5.391 7.260 1.00 0.00 C ATOM 690 CG2 ILE A 106 0.555 6.731 5.703 1.00 0.00 C ATOM 691 CD1 ILE A 106 1.017 5.468 8.410 1.00 0.00 C ATOM 0 H ILE A 106 2.045 2.972 6.005 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.484 4.356 6.347 1.00 0.00 H new ATOM 0 HB ILE A 106 2.103 5.384 5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.573 4.471 7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.700 6.219 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.231 7.576 5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.121 6.760 4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.241 6.788 6.446 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.562 5.434 9.354 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.456 6.400 8.349 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.327 4.625 8.358 1.00 0.00 H new ATOM 703 N VAL A 107 -1.357 3.961 4.046 1.00 0.00 N ATOM 704 CA VAL A 107 -1.912 3.872 2.701 1.00 0.00 C ATOM 705 C VAL A 107 -2.374 5.238 2.206 1.00 0.00 C ATOM 706 O VAL A 107 -3.213 5.884 2.832 1.00 0.00 O ATOM 707 CB VAL A 107 -3.098 2.891 2.646 1.00 0.00 C ATOM 708 CG1 VAL A 107 -3.903 3.096 1.372 1.00 0.00 C ATOM 709 CG2 VAL A 107 -2.606 1.455 2.750 1.00 0.00 C ATOM 0 H VAL A 107 -2.045 3.870 4.793 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.116 3.504 2.054 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.751 3.090 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.736 2.394 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.287 4.116 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.263 2.925 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.457 0.775 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.931 1.241 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.077 1.319 3.694 1.00 0.00 H new ATOM 719 N GLU A 108 -1.819 5.672 1.078 1.00 0.00 N ATOM 720 CA GLU A 108 -2.175 6.962 0.499 1.00 0.00 C ATOM 721 C GLU A 108 -3.066 6.782 -0.726 1.00 0.00 C ATOM 722 O GLU A 108 -3.154 5.690 -1.288 1.00 0.00 O ATOM 723 CB GLU A 108 -0.914 7.739 0.116 1.00 0.00 C ATOM 724 CG GLU A 108 -1.195 9.145 -0.387 1.00 0.00 C ATOM 725 CD GLU A 108 0.062 9.986 -0.499 1.00 0.00 C ATOM 726 OE1 GLU A 108 0.987 9.784 0.315 1.00 0.00 O ATOM 727 OE2 GLU A 108 0.120 10.847 -1.402 1.00 0.00 O ATOM 0 H GLU A 108 -1.122 5.149 0.548 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.728 7.527 1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.256 7.797 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.377 7.187 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.678 9.088 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.897 9.635 0.288 1.00 0.00 H new ATOM 734 N MET A 109 -3.726 7.861 -1.135 1.00 0.00 N ATOM 735 CA MET A 109 -4.610 7.822 -2.294 1.00 0.00 C ATOM 736 C MET A 109 -4.202 8.871 -3.324 1.00 0.00 C ATOM 737 O MET A 109 -3.204 9.569 -3.151 1.00 0.00 O ATOM 738 CB MET A 109 -6.061 8.050 -1.863 1.00 0.00 C ATOM 739 CG MET A 109 -6.536 7.082 -0.793 1.00 0.00 C ATOM 740 SD MET A 109 -6.265 5.358 -1.245 1.00 0.00 S ATOM 741 CE MET A 109 -7.903 4.893 -1.803 1.00 0.00 C ATOM 0 H MET A 109 -3.665 8.772 -0.681 1.00 0.00 H new ATOM 0 HA MET A 109 -4.525 6.837 -2.752 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.165 9.069 -1.491 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.709 7.961 -2.735 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.015 7.295 0.141 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.598 7.243 -0.609 1.00 0.00 H new ATOM 0 HE1 MET A 109 -8.099 3.855 -1.533 1.00 0.00 H new ATOM 0 HE2 MET A 109 -8.645 5.537 -1.331 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.964 5.003 -2.886 1.00 0.00 H new ATOM 751 N GLY A 110 -4.981 8.974 -4.397 1.00 0.00 N ATOM 752 CA GLY A 110 -4.683 9.940 -5.439 1.00 0.00 C ATOM 753 C GLY A 110 -5.313 11.292 -5.173 1.00 0.00 C ATOM 754 O GLY A 110 -4.651 12.325 -5.279 1.00 0.00 O ATOM 0 H GLY A 110 -5.812 8.406 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.603 10.056 -5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -5.039 9.559 -6.396 1.00 0.00 H new ATOM 758 N ASP A 111 -6.596 11.288 -4.829 1.00 0.00 N ATOM 759 CA ASP A 111 -7.316 12.525 -4.548 1.00 0.00 C ATOM 760 C ASP A 111 -8.281 12.339 -3.381 1.00 0.00 C ATOM 761 O ASP A 111 -8.447 11.231 -2.869 1.00 0.00 O ATOM 762 CB ASP A 111 -8.081 12.988 -5.789 1.00 0.00 C ATOM 763 CG ASP A 111 -7.182 13.669 -6.802 1.00 0.00 C ATOM 764 OD1 ASP A 111 -6.534 14.673 -6.440 1.00 0.00 O ATOM 765 OD2 ASP A 111 -7.127 13.197 -7.957 1.00 0.00 O ATOM 0 H ASP A 111 -7.159 10.442 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.586 13.287 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.564 12.130 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.872 13.675 -5.489 1.00 0.00 H new ATOM 770 N VAL A 112 -8.915 13.430 -2.964 1.00 0.00 N ATOM 771 CA VAL A 112 -9.863 13.387 -1.857 1.00 0.00 C ATOM 772 C VAL A 112 -11.002 12.416 -2.146 1.00 0.00 C ATOM 773 O VAL A 112 -11.508 11.749 -1.244 1.00 0.00 O ATOM 774 CB VAL A 112 -10.453 14.781 -1.569 1.00 0.00 C ATOM 775 CG1 VAL A 112 -11.440 15.178 -2.655 1.00 0.00 C ATOM 776 CG2 VAL A 112 -11.115 14.806 -0.199 1.00 0.00 C ATOM 0 H VAL A 112 -8.789 14.355 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.311 13.045 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.640 15.508 -1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -11.846 16.165 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -10.931 15.202 -3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -12.252 14.452 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.526 15.798 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.917 14.069 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.376 14.569 0.567 1.00 0.00 H new ATOM 786 N GLY A 113 -11.401 12.341 -3.412 1.00 0.00 N ATOM 787 CA GLY A 113 -12.478 11.447 -3.799 1.00 0.00 C ATOM 788 C GLY A 113 -12.158 9.994 -3.508 1.00 0.00 C ATOM 789 O GLY A 113 -13.044 9.216 -3.155 1.00 0.00 O ATOM 0 H GLY A 113 -10.998 12.883 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.388 11.729 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.679 11.565 -4.864 1.00 0.00 H new ATOM 793 N ALA A 114 -10.890 9.628 -3.658 1.00 0.00 N ATOM 794 CA ALA A 114 -10.456 8.259 -3.409 1.00 0.00 C ATOM 795 C ALA A 114 -10.421 7.957 -1.915 1.00 0.00 C ATOM 796 O ALA A 114 -11.007 6.977 -1.456 1.00 0.00 O ATOM 797 CB ALA A 114 -9.088 8.017 -4.031 1.00 0.00 C ATOM 0 H ALA A 114 -10.145 10.260 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.177 7.586 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.777 6.991 -3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.143 8.182 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.363 8.705 -3.595 1.00 0.00 H new ATOM 803 N ARG A 115 -9.729 8.805 -1.161 1.00 0.00 N ATOM 804 CA ARG A 115 -9.616 8.628 0.282 1.00 0.00 C ATOM 805 C ARG A 115 -10.981 8.746 0.953 1.00 0.00 C ATOM 806 O ARG A 115 -11.208 8.182 2.022 1.00 0.00 O ATOM 807 CB ARG A 115 -8.655 9.662 0.870 1.00 0.00 C ATOM 808 CG ARG A 115 -8.677 9.719 2.389 1.00 0.00 C ATOM 809 CD ARG A 115 -7.891 10.910 2.913 1.00 0.00 C ATOM 810 NE ARG A 115 -8.402 11.381 4.198 1.00 0.00 N ATOM 811 CZ ARG A 115 -7.675 12.072 5.069 1.00 0.00 C ATOM 812 NH1 ARG A 115 -6.413 12.371 4.795 1.00 0.00 N ATOM 813 NH2 ARG A 115 -8.211 12.466 6.218 1.00 0.00 N ATOM 0 H ARG A 115 -9.238 9.621 -1.525 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.223 7.629 0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.642 9.434 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.907 10.646 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.708 9.781 2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.258 8.798 2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.842 10.633 3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.935 11.721 2.186 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.370 11.168 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.998 12.070 3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.857 12.902 5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.182 12.238 6.433 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.652 12.997 6.886 1.00 0.00 H new ATOM 827 N GLU A 116 -11.886 9.484 0.316 1.00 0.00 N ATOM 828 CA GLU A 116 -13.228 9.677 0.853 1.00 0.00 C ATOM 829 C GLU A 116 -14.032 8.382 0.785 1.00 0.00 C ATOM 830 O GLU A 116 -14.815 8.078 1.684 1.00 0.00 O ATOM 831 CB GLU A 116 -13.954 10.783 0.084 1.00 0.00 C ATOM 832 CG GLU A 116 -13.744 12.169 0.669 1.00 0.00 C ATOM 833 CD GLU A 116 -14.348 13.263 -0.191 1.00 0.00 C ATOM 834 OE1 GLU A 116 -14.035 13.309 -1.399 1.00 0.00 O ATOM 835 OE2 GLU A 116 -15.133 14.072 0.345 1.00 0.00 O ATOM 0 H GLU A 116 -11.714 9.957 -0.571 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.135 9.972 1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.612 10.779 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.021 10.562 0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -14.185 12.210 1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.676 12.352 0.786 1.00 0.00 H new ATOM 842 N ALA A 117 -13.833 7.624 -0.288 1.00 0.00 N ATOM 843 CA ALA A 117 -14.538 6.362 -0.474 1.00 0.00 C ATOM 844 C ALA A 117 -14.140 5.349 0.594 1.00 0.00 C ATOM 845 O ALA A 117 -14.995 4.737 1.234 1.00 0.00 O ATOM 846 CB ALA A 117 -14.264 5.804 -1.863 1.00 0.00 C ATOM 0 H ALA A 117 -13.189 7.862 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.607 6.553 -0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -14.797 4.861 -1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -14.605 6.516 -2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -13.194 5.635 -1.982 1.00 0.00 H new ATOM 852 N VAL A 118 -12.835 5.174 0.781 1.00 0.00 N ATOM 853 CA VAL A 118 -12.323 4.235 1.771 1.00 0.00 C ATOM 854 C VAL A 118 -12.908 4.518 3.150 1.00 0.00 C ATOM 855 O VAL A 118 -13.452 3.625 3.802 1.00 0.00 O ATOM 856 CB VAL A 118 -10.786 4.291 1.856 1.00 0.00 C ATOM 857 CG1 VAL A 118 -10.274 3.321 2.911 1.00 0.00 C ATOM 858 CG2 VAL A 118 -10.167 3.992 0.499 1.00 0.00 C ATOM 0 H VAL A 118 -12.113 5.671 0.259 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.625 3.239 1.448 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.491 5.298 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.186 3.374 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.692 3.586 3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -10.577 2.307 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.081 4.036 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.468 2.996 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.509 4.730 -0.227 1.00 0.00 H new ATOM 868 N LEU A 119 -12.794 5.766 3.591 1.00 0.00 N ATOM 869 CA LEU A 119 -13.312 6.168 4.894 1.00 0.00 C ATOM 870 C LEU A 119 -14.824 5.982 4.959 1.00 0.00 C ATOM 871 O LEU A 119 -15.371 5.625 6.003 1.00 0.00 O ATOM 872 CB LEU A 119 -12.954 7.628 5.178 1.00 0.00 C ATOM 873 CG LEU A 119 -11.461 7.955 5.228 1.00 0.00 C ATOM 874 CD1 LEU A 119 -11.248 9.447 5.432 1.00 0.00 C ATOM 875 CD2 LEU A 119 -10.777 7.161 6.331 1.00 0.00 C ATOM 0 H LEU A 119 -12.347 6.517 3.065 1.00 0.00 H new ATOM 0 HA LEU A 119 -12.853 5.533 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.416 8.250 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.400 7.912 6.131 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.015 7.672 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.180 9.661 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.703 9.996 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.709 9.755 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.715 7.407 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -11.226 7.412 7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.899 6.095 6.141 1.00 0.00 H new ATOM 887 N SER A 120 -15.495 6.224 3.837 1.00 0.00 N ATOM 888 CA SER A 120 -16.944 6.084 3.768 1.00 0.00 C ATOM 889 C SER A 120 -17.334 4.679 3.319 1.00 0.00 C ATOM 890 O SER A 120 -18.242 4.505 2.507 1.00 0.00 O ATOM 891 CB SER A 120 -17.532 7.119 2.807 1.00 0.00 C ATOM 892 OG SER A 120 -18.947 7.137 2.880 1.00 0.00 O ATOM 0 H SER A 120 -15.058 6.518 2.964 1.00 0.00 H new ATOM 0 HA SER A 120 -17.348 6.253 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 120 -17.140 8.107 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 120 -17.220 6.892 1.788 1.00 0.00 H new ATOM 0 HG SER A 120 -19.293 6.230 2.747 1.00 0.00 H new ATOM 898 N GLN A 121 -16.640 3.680 3.855 1.00 0.00 N ATOM 899 CA GLN A 121 -16.912 2.290 3.510 1.00 0.00 C ATOM 900 C GLN A 121 -17.599 1.567 4.664 1.00 0.00 C ATOM 901 O GLN A 121 -17.239 1.750 5.826 1.00 0.00 O ATOM 902 CB GLN A 121 -15.613 1.570 3.142 1.00 0.00 C ATOM 903 CG GLN A 121 -15.802 0.458 2.123 1.00 0.00 C ATOM 904 CD GLN A 121 -16.074 -0.886 2.769 1.00 0.00 C ATOM 905 OE1 GLN A 121 -17.212 -1.357 2.796 1.00 0.00 O ATOM 906 NE2 GLN A 121 -15.028 -1.514 3.295 1.00 0.00 N ATOM 0 H GLN A 121 -15.886 3.807 4.530 1.00 0.00 H new ATOM 0 HA GLN A 121 -17.581 2.280 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.904 2.297 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.170 1.152 4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -16.630 0.713 1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -14.909 0.384 1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -14.102 -1.088 3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -15.151 -2.422 3.743 1.00 0.00 H new ATOM 915 N SER A 122 -18.590 0.745 4.334 1.00 0.00 N ATOM 916 CA SER A 122 -19.331 -0.003 5.343 1.00 0.00 C ATOM 917 C SER A 122 -18.379 -0.677 6.327 1.00 0.00 C ATOM 918 O SER A 122 -18.221 -0.226 7.461 1.00 0.00 O ATOM 919 CB SER A 122 -20.223 -1.053 4.678 1.00 0.00 C ATOM 920 OG SER A 122 -21.289 -0.443 3.971 1.00 0.00 O ATOM 0 H SER A 122 -18.898 0.580 3.376 1.00 0.00 H new ATOM 0 HA SER A 122 -19.958 0.699 5.893 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.629 -1.659 3.994 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.623 -1.727 5.435 1.00 0.00 H new ATOM 0 HG SER A 122 -21.843 -1.135 3.554 1.00 0.00 H new ATOM 926 N GLN A 123 -17.749 -1.760 5.884 1.00 0.00 N ATOM 927 CA GLN A 123 -16.813 -2.497 6.725 1.00 0.00 C ATOM 928 C GLN A 123 -15.601 -2.954 5.920 1.00 0.00 C ATOM 929 O GLN A 123 -15.740 -3.620 4.893 1.00 0.00 O ATOM 930 CB GLN A 123 -17.506 -3.705 7.357 1.00 0.00 C ATOM 931 CG GLN A 123 -17.942 -4.754 6.347 1.00 0.00 C ATOM 932 CD GLN A 123 -18.876 -5.787 6.945 1.00 0.00 C ATOM 933 OE1 GLN A 123 -20.023 -5.485 7.278 1.00 0.00 O ATOM 934 NE2 GLN A 123 -18.390 -7.015 7.084 1.00 0.00 N ATOM 0 H GLN A 123 -17.870 -2.147 4.948 1.00 0.00 H new ATOM 0 HA GLN A 123 -16.470 -1.829 7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -16.830 -4.165 8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -18.379 -3.363 7.913 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -18.438 -4.263 5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -17.061 -5.255 5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -17.434 -7.221 6.795 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -18.973 -7.752 7.480 1.00 0.00 H new ATOM 943 N HIS A 124 -14.413 -2.592 6.392 1.00 0.00 N ATOM 944 CA HIS A 124 -13.175 -2.966 5.716 1.00 0.00 C ATOM 945 C HIS A 124 -12.791 -4.406 6.043 1.00 0.00 C ATOM 946 O HIS A 124 -12.594 -4.757 7.206 1.00 0.00 O ATOM 947 CB HIS A 124 -12.044 -2.020 6.118 1.00 0.00 C ATOM 948 CG HIS A 124 -12.136 -0.669 5.476 1.00 0.00 C ATOM 949 ND1 HIS A 124 -12.219 -0.488 4.112 1.00 0.00 N ATOM 950 CD2 HIS A 124 -12.159 0.569 6.021 1.00 0.00 C ATOM 951 CE1 HIS A 124 -12.288 0.804 3.845 1.00 0.00 C ATOM 952 NE2 HIS A 124 -12.254 1.467 4.986 1.00 0.00 N ATOM 0 H HIS A 124 -14.281 -2.040 7.240 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.339 -2.888 4.641 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -12.050 -1.900 7.201 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -11.090 -2.475 5.853 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -12.112 0.807 7.073 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -12.360 1.243 2.861 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -12.292 2.482 5.083 1.00 0.00 H new ATOM 960 N SER A 125 -12.687 -5.235 5.009 1.00 0.00 N ATOM 961 CA SER A 125 -12.331 -6.638 5.188 1.00 0.00 C ATOM 962 C SER A 125 -11.530 -7.151 3.995 1.00 0.00 C ATOM 963 O SER A 125 -11.941 -6.999 2.844 1.00 0.00 O ATOM 964 CB SER A 125 -13.591 -7.486 5.373 1.00 0.00 C ATOM 965 OG SER A 125 -13.271 -8.865 5.449 1.00 0.00 O ATOM 0 H SER A 125 -12.844 -4.960 4.039 1.00 0.00 H new ATOM 0 HA SER A 125 -11.712 -6.720 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.110 -7.179 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.275 -7.313 4.542 1.00 0.00 H new ATOM 0 HG SER A 125 -12.603 -9.008 6.152 1.00 0.00 H new ATOM 971 N LEU A 126 -10.383 -7.759 4.278 1.00 0.00 N ATOM 972 CA LEU A 126 -9.522 -8.295 3.230 1.00 0.00 C ATOM 973 C LEU A 126 -9.802 -9.777 3.000 1.00 0.00 C ATOM 974 O LEU A 126 -9.070 -10.639 3.484 1.00 0.00 O ATOM 975 CB LEU A 126 -8.051 -8.093 3.598 1.00 0.00 C ATOM 976 CG LEU A 126 -7.040 -8.332 2.476 1.00 0.00 C ATOM 977 CD1 LEU A 126 -7.301 -7.388 1.312 1.00 0.00 C ATOM 978 CD2 LEU A 126 -5.619 -8.161 2.994 1.00 0.00 C ATOM 0 H LEU A 126 -10.028 -7.893 5.225 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.736 -7.756 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.925 -7.073 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.809 -8.760 4.426 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.156 -9.356 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.572 -7.573 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.306 -7.557 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.213 -6.357 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.912 -8.335 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.491 -7.148 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.435 -8.877 3.795 1.00 0.00 H new ATOM 990 N GLY A 127 -10.866 -10.064 2.257 1.00 0.00 N ATOM 991 CA GLY A 127 -11.223 -11.443 1.974 1.00 0.00 C ATOM 992 C GLY A 127 -11.154 -12.324 3.205 1.00 0.00 C ATOM 993 O GLY A 127 -10.379 -13.278 3.252 1.00 0.00 O ATOM 0 H GLY A 127 -11.487 -9.367 1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -12.232 -11.477 1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -10.554 -11.839 1.210 1.00 0.00 H new ATOM 997 N GLY A 128 -11.966 -12.002 4.208 1.00 0.00 N ATOM 998 CA GLY A 128 -11.977 -12.780 5.433 1.00 0.00 C ATOM 999 C GLY A 128 -11.443 -12.002 6.619 1.00 0.00 C ATOM 1000 O GLY A 128 -12.104 -11.899 7.652 1.00 0.00 O ATOM 0 H GLY A 128 -12.616 -11.216 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -12.996 -13.105 5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.378 -13.680 5.293 1.00 0.00 H new ATOM 1004 N HIS A 129 -10.240 -11.455 6.472 1.00 0.00 N ATOM 1005 CA HIS A 129 -9.616 -10.682 7.540 1.00 0.00 C ATOM 1006 C HIS A 129 -10.303 -9.330 7.706 1.00 0.00 C ATOM 1007 O HIS A 129 -11.092 -8.916 6.857 1.00 0.00 O ATOM 1008 CB HIS A 129 -8.129 -10.480 7.250 1.00 0.00 C ATOM 1009 CG HIS A 129 -7.393 -11.755 6.977 1.00 0.00 C ATOM 1010 ND1 HIS A 129 -6.654 -11.967 5.833 1.00 0.00 N ATOM 1011 CD2 HIS A 129 -7.283 -12.888 7.710 1.00 0.00 C ATOM 1012 CE1 HIS A 129 -6.123 -13.176 5.872 1.00 0.00 C ATOM 1013 NE2 HIS A 129 -6.489 -13.756 7.001 1.00 0.00 N ATOM 0 H HIS A 129 -9.678 -11.533 5.624 1.00 0.00 H new ATOM 0 HA HIS A 129 -9.724 -11.240 8.470 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -8.022 -9.817 6.391 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -7.667 -9.978 8.100 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -7.735 -13.075 8.673 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -5.496 -13.616 5.110 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -6.225 -14.695 7.298 1.00 0.00 H new ATOM 1021 N ARG A 130 -9.999 -8.648 8.805 1.00 0.00 N ATOM 1022 CA ARG A 130 -10.588 -7.344 9.083 1.00 0.00 C ATOM 1023 C ARG A 130 -9.505 -6.301 9.342 1.00 0.00 C ATOM 1024 O ARG A 130 -8.620 -6.503 10.175 1.00 0.00 O ATOM 1025 CB ARG A 130 -11.526 -7.431 10.289 1.00 0.00 C ATOM 1026 CG ARG A 130 -12.895 -8.001 9.956 1.00 0.00 C ATOM 1027 CD ARG A 130 -13.643 -8.422 11.211 1.00 0.00 C ATOM 1028 NE ARG A 130 -15.090 -8.414 11.015 1.00 0.00 N ATOM 1029 CZ ARG A 130 -15.839 -7.321 11.116 1.00 0.00 C ATOM 1030 NH1 ARG A 130 -15.280 -6.155 11.409 1.00 0.00 N ATOM 1031 NH2 ARG A 130 -17.150 -7.394 10.923 1.00 0.00 N ATOM 0 H ARG A 130 -9.348 -8.977 9.518 1.00 0.00 H new ATOM 0 HA ARG A 130 -11.160 -7.038 8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -11.061 -8.050 11.056 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -11.650 -6.435 10.715 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -13.479 -7.256 9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -12.782 -8.859 9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.323 -9.421 11.506 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -13.384 -7.750 12.029 1.00 0.00 H new ATOM 0 HE ARG A 130 -15.551 -9.295 10.788 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.273 -6.095 11.557 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -15.857 -5.318 11.486 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -17.583 -8.289 10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -17.724 -6.555 11.001 1.00 0.00 H new ATOM 1045 N LEU A 131 -9.580 -5.187 8.623 1.00 0.00 N ATOM 1046 CA LEU A 131 -8.605 -4.112 8.774 1.00 0.00 C ATOM 1047 C LEU A 131 -9.232 -2.900 9.456 1.00 0.00 C ATOM 1048 O LEU A 131 -10.432 -2.657 9.331 1.00 0.00 O ATOM 1049 CB LEU A 131 -8.045 -3.709 7.408 1.00 0.00 C ATOM 1050 CG LEU A 131 -7.483 -4.845 6.552 1.00 0.00 C ATOM 1051 CD1 LEU A 131 -7.153 -4.346 5.154 1.00 0.00 C ATOM 1052 CD2 LEU A 131 -6.251 -5.450 7.210 1.00 0.00 C ATOM 0 H LEU A 131 -10.305 -5.004 7.930 1.00 0.00 H new ATOM 0 HA LEU A 131 -7.791 -4.478 9.400 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -8.836 -3.214 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -7.256 -2.973 7.564 1.00 0.00 H new ATOM 0 HG LEU A 131 -8.243 -5.622 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -6.754 -5.168 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -8.057 -3.962 4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.411 -3.550 5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -5.865 -6.257 6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.486 -4.682 7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -6.519 -5.845 8.190 1.00 0.00 H new ATOM 1064 N ARG A 132 -8.411 -2.142 10.175 1.00 0.00 N ATOM 1065 CA ARG A 132 -8.885 -0.955 10.876 1.00 0.00 C ATOM 1066 C ARG A 132 -8.381 0.315 10.197 1.00 0.00 C ATOM 1067 O ARG A 132 -7.424 0.939 10.656 1.00 0.00 O ATOM 1068 CB ARG A 132 -8.428 -0.982 12.336 1.00 0.00 C ATOM 1069 CG ARG A 132 -9.387 -1.712 13.262 1.00 0.00 C ATOM 1070 CD ARG A 132 -9.356 -3.214 13.024 1.00 0.00 C ATOM 1071 NE ARG A 132 -8.203 -3.845 13.661 1.00 0.00 N ATOM 1072 CZ ARG A 132 -7.925 -5.140 13.560 1.00 0.00 C ATOM 1073 NH1 ARG A 132 -8.711 -5.937 12.850 1.00 0.00 N ATOM 1074 NH2 ARG A 132 -6.857 -5.640 14.168 1.00 0.00 N ATOM 0 H ARG A 132 -7.415 -2.329 10.287 1.00 0.00 H new ATOM 0 HA ARG A 132 -9.975 -0.956 10.844 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -7.449 -1.458 12.392 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -8.305 0.042 12.688 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -9.125 -1.501 14.299 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -10.399 -1.339 13.107 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -10.273 -3.661 13.409 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -9.331 -3.411 11.952 1.00 0.00 H new ATOM 0 HE ARG A 132 -7.577 -3.259 14.214 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -9.532 -5.556 12.379 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -8.495 -6.931 12.774 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -6.248 -5.030 14.714 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -6.645 -6.635 14.090 1.00 0.00 H new ATOM 1088 N VAL A 133 -9.031 0.692 9.101 1.00 0.00 N ATOM 1089 CA VAL A 133 -8.650 1.888 8.359 1.00 0.00 C ATOM 1090 C VAL A 133 -9.206 3.145 9.018 1.00 0.00 C ATOM 1091 O VAL A 133 -10.418 3.291 9.175 1.00 0.00 O ATOM 1092 CB VAL A 133 -9.143 1.825 6.901 1.00 0.00 C ATOM 1093 CG1 VAL A 133 -8.612 3.008 6.106 1.00 0.00 C ATOM 1094 CG2 VAL A 133 -8.731 0.510 6.256 1.00 0.00 C ATOM 0 H VAL A 133 -9.824 0.186 8.707 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.561 1.930 8.365 1.00 0.00 H new ATOM 0 HB VAL A 133 -10.232 1.878 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -8.971 2.946 5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -8.962 3.936 6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.522 2.990 6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -9.087 0.482 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.644 0.424 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -9.166 -0.320 6.813 1.00 0.00 H new ATOM 1104 N ARG A 134 -8.311 4.050 9.403 1.00 0.00 N ATOM 1105 CA ARG A 134 -8.712 5.295 10.046 1.00 0.00 C ATOM 1106 C ARG A 134 -8.110 6.498 9.326 1.00 0.00 C ATOM 1107 O ARG A 134 -7.087 6.398 8.649 1.00 0.00 O ATOM 1108 CB ARG A 134 -8.281 5.297 11.514 1.00 0.00 C ATOM 1109 CG ARG A 134 -6.863 5.801 11.731 1.00 0.00 C ATOM 1110 CD ARG A 134 -6.378 5.506 13.142 1.00 0.00 C ATOM 1111 NE ARG A 134 -6.693 6.591 14.067 1.00 0.00 N ATOM 1112 CZ ARG A 134 -6.107 6.743 15.249 1.00 0.00 C ATOM 1113 NH1 ARG A 134 -5.180 5.883 15.648 1.00 0.00 N ATOM 1114 NH2 ARG A 134 -6.448 7.756 16.035 1.00 0.00 N ATOM 0 H ARG A 134 -7.304 3.944 9.281 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.798 5.369 9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.970 5.919 12.086 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.362 4.284 11.909 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.194 5.332 11.009 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -6.825 6.875 11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -6.836 4.583 13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -5.300 5.343 13.128 1.00 0.00 H new ATOM 0 HE ARG A 134 -7.402 7.270 13.790 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -4.916 5.103 15.047 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -4.731 6.002 16.556 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -7.161 8.419 15.732 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.997 7.872 16.943 1.00 0.00 H new ATOM 1128 N PRO A 135 -8.759 7.662 9.473 1.00 0.00 N ATOM 1129 CA PRO A 135 -8.306 8.906 8.844 1.00 0.00 C ATOM 1130 C PRO A 135 -7.116 9.523 9.571 1.00 0.00 C ATOM 1131 O PRO A 135 -7.232 9.953 10.719 1.00 0.00 O ATOM 1132 CB PRO A 135 -9.528 9.822 8.948 1.00 0.00 C ATOM 1133 CG PRO A 135 -10.265 9.335 10.148 1.00 0.00 C ATOM 1134 CD PRO A 135 -9.985 7.854 10.266 1.00 0.00 C ATOM 0 HA PRO A 135 -7.963 8.744 7.822 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -9.232 10.865 9.061 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -10.146 9.761 8.052 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -9.936 9.862 11.043 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -11.334 9.519 10.045 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -9.840 7.556 11.304 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -10.811 7.259 9.876 1.00 0.00 H new ATOM 1142 N ARG A 136 -5.972 9.562 8.895 1.00 0.00 N ATOM 1143 CA ARG A 136 -4.760 10.126 9.478 1.00 0.00 C ATOM 1144 C ARG A 136 -5.068 11.414 10.234 1.00 0.00 C ATOM 1145 O ARG A 136 -4.718 11.557 11.405 1.00 0.00 O ATOM 1146 CB ARG A 136 -3.723 10.398 8.386 1.00 0.00 C ATOM 1147 CG ARG A 136 -2.311 10.579 8.919 1.00 0.00 C ATOM 1148 CD ARG A 136 -1.582 9.249 9.025 1.00 0.00 C ATOM 1149 NE ARG A 136 -0.218 9.411 9.523 1.00 0.00 N ATOM 1150 CZ ARG A 136 0.088 9.490 10.814 1.00 0.00 C ATOM 1151 NH1 ARG A 136 -0.867 9.421 11.731 1.00 0.00 N ATOM 1152 NH2 ARG A 136 1.352 9.637 11.189 1.00 0.00 N ATOM 0 H ARG A 136 -5.859 9.210 7.944 1.00 0.00 H new ATOM 0 HA ARG A 136 -4.354 9.400 10.183 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -3.731 9.572 7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.013 11.294 7.837 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.756 11.248 8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -2.349 11.054 9.899 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.134 8.585 9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.556 8.771 8.046 1.00 0.00 H new ATOM 0 HE ARG A 136 0.540 9.466 8.843 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.840 9.307 11.447 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.629 9.482 12.721 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.090 9.689 10.486 1.00 0.00 H new ATOM 0 HH22 ARG A 136 1.586 9.698 12.180 1.00 0.00 H new