USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 277 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 Single : A2963 SER OG : rot 180:sc= 0 USER MOD Single : A2971 SER OG : rot 86:sc= 0.361 USER MOD Single : A2986 GLN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A2987 ASN : amide:sc=-0.00167 K(o=-0.0017,f=-0.87) USER MOD Single : A2988 GLN : amide:sc= -0.916 K(o=-0.92,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -8.507 6.626 -10.623 1.00 0.00 N ATOM 82 CA ASP A2957 -8.150 6.723 -12.046 1.00 0.00 C ATOM 83 C ASP A2957 -9.380 7.211 -12.845 1.00 0.00 C ATOM 84 O ASP A2957 -10.482 6.751 -12.555 1.00 0.00 O ATOM 85 CB ASP A2957 -7.665 5.326 -12.540 1.00 0.00 C ATOM 86 CG ASP A2957 -7.379 5.268 -14.056 1.00 0.00 C ATOM 87 OD1 ASP A2957 -6.237 5.564 -14.473 1.00 0.00 O ATOM 88 OD2 ASP A2957 -8.299 4.921 -14.833 1.00 0.00 O ATOM 0 HA ASP A2957 -7.343 7.440 -12.195 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -6.760 5.053 -11.998 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -8.421 4.581 -12.293 1.00 0.00 H new ATOM 93 N PRO A2958 -9.218 8.149 -13.848 1.00 0.00 N ATOM 94 CA PRO A2958 -10.339 8.692 -14.680 1.00 0.00 C ATOM 95 C PRO A2958 -11.297 7.606 -15.237 1.00 0.00 C ATOM 96 O PRO A2958 -12.525 7.749 -15.142 1.00 0.00 O ATOM 97 CB PRO A2958 -9.609 9.442 -15.843 1.00 0.00 C ATOM 98 CG PRO A2958 -8.161 9.051 -15.718 1.00 0.00 C ATOM 99 CD PRO A2958 -7.937 8.781 -14.248 1.00 0.00 C ATOM 0 HA PRO A2958 -10.992 9.329 -14.083 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -10.013 9.152 -16.813 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -9.734 10.521 -15.755 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -7.941 8.167 -16.317 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -7.508 9.848 -16.074 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -7.087 8.120 -14.080 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -7.743 9.697 -13.690 1.00 0.00 H new ATOM 107 N LEU A2959 -10.721 6.509 -15.759 1.00 0.00 N ATOM 108 CA LEU A2959 -11.486 5.433 -16.439 1.00 0.00 C ATOM 109 C LEU A2959 -12.244 4.547 -15.405 1.00 0.00 C ATOM 110 O LEU A2959 -13.098 3.728 -15.775 1.00 0.00 O ATOM 111 CB LEU A2959 -10.522 4.590 -17.359 1.00 0.00 C ATOM 112 CG LEU A2959 -11.034 4.262 -18.806 1.00 0.00 C ATOM 113 CD1 LEU A2959 -12.252 3.308 -18.804 1.00 0.00 C ATOM 114 CD2 LEU A2959 -11.345 5.564 -19.585 1.00 0.00 C ATOM 0 H LEU A2959 -9.716 6.338 -15.725 1.00 0.00 H new ATOM 0 HA LEU A2959 -12.246 5.883 -17.078 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -9.578 5.129 -17.446 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -10.306 3.649 -16.853 1.00 0.00 H new ATOM 0 HG LEU A2959 -10.229 3.735 -19.317 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -12.565 3.115 -19.830 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -11.977 2.368 -18.325 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -13.074 3.768 -18.255 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -11.698 5.314 -20.585 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -12.115 6.128 -19.059 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -10.441 6.168 -19.660 1.00 0.00 H new ATOM 126 N ALA A2960 -11.936 4.733 -14.103 1.00 0.00 N ATOM 127 CA ALA A2960 -12.686 4.099 -12.988 1.00 0.00 C ATOM 128 C ALA A2960 -14.038 4.802 -12.729 1.00 0.00 C ATOM 129 O ALA A2960 -14.773 4.425 -11.806 1.00 0.00 O ATOM 130 CB ALA A2960 -11.819 4.056 -11.712 1.00 0.00 C ATOM 0 H ALA A2960 -11.165 5.324 -13.792 1.00 0.00 H new ATOM 0 HA ALA A2960 -12.916 3.075 -13.281 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -12.383 3.589 -10.905 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -10.915 3.478 -11.905 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -11.546 5.071 -11.423 1.00 0.00 H new ATOM 136 N GLY A2961 -14.353 5.833 -13.550 1.00 0.00 N ATOM 137 CA GLY A2961 -15.653 6.511 -13.529 1.00 0.00 C ATOM 138 C GLY A2961 -15.802 7.488 -12.376 1.00 0.00 C ATOM 139 O GLY A2961 -16.923 7.880 -12.028 1.00 0.00 O ATOM 0 H GLY A2961 -13.706 6.211 -14.242 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -15.792 7.045 -14.469 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -16.444 5.764 -13.467 1.00 0.00 H new ATOM 143 N ILE A2962 -14.665 7.897 -11.797 1.00 0.00 N ATOM 144 CA ILE A2962 -14.621 8.768 -10.606 1.00 0.00 C ATOM 145 C ILE A2962 -14.934 10.239 -10.957 1.00 0.00 C ATOM 146 O ILE A2962 -14.887 10.632 -12.129 1.00 0.00 O ATOM 147 CB ILE A2962 -13.230 8.613 -9.860 1.00 0.00 C ATOM 148 CG1 ILE A2962 -11.974 8.780 -10.805 1.00 0.00 C ATOM 149 CG2 ILE A2962 -13.174 7.233 -9.157 1.00 0.00 C ATOM 150 CD1 ILE A2962 -11.660 10.178 -11.329 1.00 0.00 C ATOM 0 H ILE A2962 -13.742 7.633 -12.141 1.00 0.00 H new ATOM 0 HA ILE A2962 -15.405 8.446 -9.920 1.00 0.00 H new ATOM 0 HB ILE A2962 -13.175 9.424 -9.134 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -11.098 8.420 -10.265 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -12.111 8.123 -11.664 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -12.219 7.125 -8.644 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -13.985 7.160 -8.433 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -13.279 6.442 -9.900 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -10.774 10.139 -11.962 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -12.505 10.547 -11.910 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -11.476 10.848 -10.489 1.00 0.00 H new ATOM 162 N SER A2963 -15.242 11.046 -9.929 1.00 0.00 N ATOM 163 CA SER A2963 -15.552 12.473 -10.080 1.00 0.00 C ATOM 164 C SER A2963 -14.477 13.294 -9.351 1.00 0.00 C ATOM 165 O SER A2963 -14.631 13.679 -8.184 1.00 0.00 O ATOM 166 CB SER A2963 -16.965 12.780 -9.536 1.00 0.00 C ATOM 167 OG SER A2963 -17.339 14.126 -9.796 1.00 0.00 O ATOM 0 H SER A2963 -15.283 10.722 -8.963 1.00 0.00 H new ATOM 0 HA SER A2963 -15.548 12.744 -11.136 1.00 0.00 H new ATOM 0 HB2 SER A2963 -17.688 12.105 -9.994 1.00 0.00 H new ATOM 0 HB3 SER A2963 -16.992 12.594 -8.462 1.00 0.00 H new ATOM 0 HG SER A2963 -18.238 14.290 -9.442 1.00 0.00 H new ATOM 173 N LEU A2964 -13.341 13.475 -10.035 1.00 0.00 N ATOM 174 CA LEU A2964 -12.222 14.316 -9.561 1.00 0.00 C ATOM 175 C LEU A2964 -12.097 15.554 -10.478 1.00 0.00 C ATOM 176 O LEU A2964 -12.308 15.437 -11.692 1.00 0.00 O ATOM 177 CB LEU A2964 -10.885 13.496 -9.519 1.00 0.00 C ATOM 178 CG LEU A2964 -10.568 12.724 -8.182 1.00 0.00 C ATOM 179 CD1 LEU A2964 -11.648 11.676 -7.825 1.00 0.00 C ATOM 180 CD2 LEU A2964 -9.168 12.083 -8.245 1.00 0.00 C ATOM 0 H LEU A2964 -13.166 13.041 -10.941 1.00 0.00 H new ATOM 0 HA LEU A2964 -12.424 14.650 -8.543 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -10.905 12.772 -10.333 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -10.060 14.180 -9.720 1.00 0.00 H new ATOM 0 HG LEU A2964 -10.579 13.461 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -11.377 11.176 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -12.610 12.173 -7.702 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -11.719 10.940 -8.626 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -8.967 11.555 -7.313 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -9.127 11.380 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -8.418 12.861 -8.390 1.00 0.00 H new ATOM 192 N PRO A2965 -11.750 16.756 -9.907 1.00 0.00 N ATOM 193 CA PRO A2965 -11.602 18.019 -10.684 1.00 0.00 C ATOM 194 C PRO A2965 -10.363 18.028 -11.598 1.00 0.00 C ATOM 195 O PRO A2965 -9.449 17.214 -11.435 1.00 0.00 O ATOM 196 CB PRO A2965 -11.446 19.098 -9.582 1.00 0.00 C ATOM 197 CG PRO A2965 -10.841 18.355 -8.430 1.00 0.00 C ATOM 198 CD PRO A2965 -11.478 16.983 -8.455 1.00 0.00 C ATOM 0 HA PRO A2965 -12.448 18.172 -11.354 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -10.804 19.915 -9.911 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -12.407 19.536 -9.314 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -9.758 18.287 -8.532 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -11.041 18.863 -7.487 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -10.812 16.223 -8.047 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -12.394 16.954 -7.865 1.00 0.00 H new ATOM 206 N GLU A2966 -10.345 18.980 -12.548 1.00 0.00 N ATOM 207 CA GLU A2966 -9.154 19.288 -13.359 1.00 0.00 C ATOM 208 C GLU A2966 -8.050 19.835 -12.438 1.00 0.00 C ATOM 209 O GLU A2966 -8.305 20.748 -11.647 1.00 0.00 O ATOM 210 CB GLU A2966 -9.498 20.326 -14.463 1.00 0.00 C ATOM 211 CG GLU A2966 -8.291 20.762 -15.331 1.00 0.00 C ATOM 212 CD GLU A2966 -8.592 21.975 -16.227 1.00 0.00 C ATOM 213 OE1 GLU A2966 -8.646 23.111 -15.700 1.00 0.00 O ATOM 214 OE2 GLU A2966 -8.776 21.813 -17.454 1.00 0.00 O ATOM 0 H GLU A2966 -11.155 19.557 -12.775 1.00 0.00 H new ATOM 0 HA GLU A2966 -8.806 18.379 -13.849 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -10.265 19.905 -15.114 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -9.929 21.209 -13.992 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -7.451 21.001 -14.679 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -7.981 19.925 -15.957 1.00 0.00 H new ATOM 221 N GLY A2967 -6.843 19.262 -12.534 1.00 0.00 N ATOM 222 CA GLY A2967 -5.713 19.651 -11.679 1.00 0.00 C ATOM 223 C GLY A2967 -5.272 18.520 -10.757 1.00 0.00 C ATOM 224 O GLY A2967 -4.720 18.763 -9.676 1.00 0.00 O ATOM 0 H GLY A2967 -6.623 18.522 -13.200 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -4.874 19.955 -12.305 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -5.994 20.517 -11.080 1.00 0.00 H new ATOM 228 N VAL A2968 -5.542 17.274 -11.191 1.00 0.00 N ATOM 229 CA VAL A2968 -5.128 16.055 -10.482 1.00 0.00 C ATOM 230 C VAL A2968 -4.642 15.012 -11.509 1.00 0.00 C ATOM 231 O VAL A2968 -5.057 15.028 -12.676 1.00 0.00 O ATOM 232 CB VAL A2968 -6.296 15.464 -9.597 1.00 0.00 C ATOM 233 CG1 VAL A2968 -7.460 14.898 -10.446 1.00 0.00 C ATOM 234 CG2 VAL A2968 -5.772 14.423 -8.580 1.00 0.00 C ATOM 0 H VAL A2968 -6.058 17.087 -12.051 1.00 0.00 H new ATOM 0 HA VAL A2968 -4.314 16.310 -9.803 1.00 0.00 H new ATOM 0 HB VAL A2968 -6.706 16.300 -9.030 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -8.234 14.505 -9.787 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -7.879 15.692 -11.065 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -7.088 14.098 -11.086 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -6.605 14.040 -7.990 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -5.296 13.600 -9.114 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -5.045 14.895 -7.918 1.00 0.00 H new ATOM 244 N ASP A2969 -3.763 14.117 -11.053 1.00 0.00 N ATOM 245 CA ASP A2969 -3.120 13.095 -11.888 1.00 0.00 C ATOM 246 C ASP A2969 -2.905 11.817 -11.047 1.00 0.00 C ATOM 247 O ASP A2969 -2.268 11.892 -9.985 1.00 0.00 O ATOM 248 CB ASP A2969 -1.788 13.674 -12.455 1.00 0.00 C ATOM 249 CG ASP A2969 -0.800 12.630 -12.974 1.00 0.00 C ATOM 250 OD1 ASP A2969 -1.157 11.859 -13.893 1.00 0.00 O ATOM 251 OD2 ASP A2969 0.331 12.562 -12.453 1.00 0.00 O ATOM 0 H ASP A2969 -3.472 14.080 -10.076 1.00 0.00 H new ATOM 0 HA ASP A2969 -3.749 12.823 -12.736 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -2.025 14.363 -13.266 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -1.301 14.257 -11.673 1.00 0.00 H new ATOM 256 N PRO A2970 -3.427 10.617 -11.504 1.00 0.00 N ATOM 257 CA PRO A2970 -3.375 9.365 -10.718 1.00 0.00 C ATOM 258 C PRO A2970 -1.978 8.725 -10.654 1.00 0.00 C ATOM 259 O PRO A2970 -1.823 7.690 -10.007 1.00 0.00 O ATOM 260 CB PRO A2970 -4.394 8.438 -11.426 1.00 0.00 C ATOM 261 CG PRO A2970 -4.362 8.883 -12.853 1.00 0.00 C ATOM 262 CD PRO A2970 -4.114 10.389 -12.810 1.00 0.00 C ATOM 0 HA PRO A2970 -3.613 9.551 -9.671 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -4.113 7.389 -11.329 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -5.391 8.542 -10.998 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -3.573 8.372 -13.405 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -5.302 8.655 -13.356 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -3.495 10.713 -13.646 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -5.048 10.947 -12.870 1.00 0.00 H new ATOM 270 N SER A2971 -0.965 9.338 -11.311 1.00 0.00 N ATOM 271 CA SER A2971 0.423 8.866 -11.227 1.00 0.00 C ATOM 272 C SER A2971 0.957 9.107 -9.804 1.00 0.00 C ATOM 273 O SER A2971 1.346 8.158 -9.126 1.00 0.00 O ATOM 274 CB SER A2971 1.321 9.551 -12.270 1.00 0.00 C ATOM 275 OG SER A2971 0.757 9.502 -13.566 1.00 0.00 O ATOM 0 H SER A2971 -1.091 10.159 -11.903 1.00 0.00 H new ATOM 0 HA SER A2971 0.439 7.798 -11.446 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.482 10.590 -11.983 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.298 9.068 -12.281 1.00 0.00 H new ATOM 0 HG SER A2971 0.151 10.262 -13.688 1.00 0.00 H new ATOM 281 N PHE A2972 0.922 10.385 -9.339 1.00 0.00 N ATOM 282 CA PHE A2972 1.338 10.733 -7.956 1.00 0.00 C ATOM 283 C PHE A2972 0.293 10.251 -6.941 1.00 0.00 C ATOM 284 O PHE A2972 0.627 9.871 -5.822 1.00 0.00 O ATOM 285 CB PHE A2972 1.624 12.266 -7.791 1.00 0.00 C ATOM 286 CG PHE A2972 0.458 13.253 -8.020 1.00 0.00 C ATOM 287 CD1 PHE A2972 -0.548 13.440 -7.059 1.00 0.00 C ATOM 288 CD2 PHE A2972 0.382 14.026 -9.188 1.00 0.00 C ATOM 289 CE1 PHE A2972 -1.570 14.349 -7.253 1.00 0.00 C ATOM 290 CE2 PHE A2972 -0.644 14.937 -9.373 1.00 0.00 C ATOM 291 CZ PHE A2972 -1.622 15.091 -8.411 1.00 0.00 C ATOM 0 H PHE A2972 0.613 11.182 -9.896 1.00 0.00 H new ATOM 0 HA PHE A2972 2.277 10.216 -7.758 1.00 0.00 H new ATOM 0 HB2 PHE A2972 2.004 12.427 -6.782 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.426 12.532 -8.480 1.00 0.00 H new ATOM 0 HD1 PHE A2972 -0.522 12.861 -6.148 1.00 0.00 H new ATOM 0 HD2 PHE A2972 1.134 13.909 -9.954 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -2.329 14.478 -6.495 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -0.679 15.530 -10.275 1.00 0.00 H new ATOM 0 HZ PHE A2972 -2.427 15.793 -8.567 1.00 0.00 H new ATOM 301 N LEU A2973 -0.973 10.256 -7.367 1.00 0.00 N ATOM 302 CA LEU A2973 -2.128 9.967 -6.503 1.00 0.00 C ATOM 303 C LEU A2973 -2.134 8.484 -6.049 1.00 0.00 C ATOM 304 O LEU A2973 -2.630 8.157 -4.965 1.00 0.00 O ATOM 305 CB LEU A2973 -3.425 10.323 -7.285 1.00 0.00 C ATOM 306 CG LEU A2973 -4.648 10.814 -6.461 1.00 0.00 C ATOM 307 CD1 LEU A2973 -4.353 12.176 -5.791 1.00 0.00 C ATOM 308 CD2 LEU A2973 -5.913 10.883 -7.342 1.00 0.00 C ATOM 0 H LEU A2973 -1.231 10.463 -8.332 1.00 0.00 H new ATOM 0 HA LEU A2973 -2.068 10.570 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.178 11.096 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -3.731 9.441 -7.848 1.00 0.00 H new ATOM 0 HG LEU A2973 -4.835 10.090 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.225 12.497 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -3.499 12.075 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -4.128 12.917 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -6.755 11.229 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -5.745 11.576 -8.166 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -6.134 9.893 -7.740 1.00 0.00 H new ATOM 320 N ALA A2974 -1.597 7.600 -6.916 1.00 0.00 N ATOM 321 CA ALA A2974 -1.498 6.151 -6.653 1.00 0.00 C ATOM 322 C ALA A2974 -0.127 5.774 -6.065 1.00 0.00 C ATOM 323 O ALA A2974 -0.051 4.986 -5.114 1.00 0.00 O ATOM 324 CB ALA A2974 -1.757 5.371 -7.951 1.00 0.00 C ATOM 0 H ALA A2974 -1.218 7.874 -7.823 1.00 0.00 H new ATOM 0 HA ALA A2974 -2.254 5.887 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -1.683 4.302 -7.754 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -2.755 5.604 -8.322 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -1.017 5.654 -8.699 1.00 0.00 H new ATOM 330 N ALA A2975 0.953 6.344 -6.648 1.00 0.00 N ATOM 331 CA ALA A2975 2.356 6.006 -6.286 1.00 0.00 C ATOM 332 C ALA A2975 2.691 6.418 -4.839 1.00 0.00 C ATOM 333 O ALA A2975 3.421 5.721 -4.127 1.00 0.00 O ATOM 334 CB ALA A2975 3.340 6.678 -7.262 1.00 0.00 C ATOM 0 H ALA A2975 0.881 7.050 -7.381 1.00 0.00 H new ATOM 0 HA ALA A2975 2.457 4.923 -6.358 1.00 0.00 H new ATOM 0 HB1 ALA A2975 4.362 6.421 -6.983 1.00 0.00 H new ATOM 0 HB2 ALA A2975 3.142 6.330 -8.276 1.00 0.00 H new ATOM 0 HB3 ALA A2975 3.214 7.760 -7.219 1.00 0.00 H new ATOM 340 N LEU A2976 2.149 7.567 -4.439 1.00 0.00 N ATOM 341 CA LEU A2976 2.347 8.144 -3.103 1.00 0.00 C ATOM 342 C LEU A2976 1.207 7.682 -2.167 1.00 0.00 C ATOM 343 O LEU A2976 0.100 7.420 -2.660 1.00 0.00 O ATOM 344 CB LEU A2976 2.396 9.689 -3.229 1.00 0.00 C ATOM 345 CG LEU A2976 3.475 10.257 -4.205 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.395 11.790 -4.294 1.00 0.00 C ATOM 347 CD2 LEU A2976 4.898 9.789 -3.821 1.00 0.00 C ATOM 0 H LEU A2976 1.551 8.134 -5.040 1.00 0.00 H new ATOM 0 HA LEU A2976 3.288 7.803 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.417 10.039 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A2976 2.571 10.110 -2.239 1.00 0.00 H new ATOM 0 HG LEU A2976 3.260 9.855 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.159 12.155 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A2976 2.410 12.082 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A2976 3.560 12.221 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.620 10.205 -4.524 1.00 0.00 H new ATOM 0 HD22 LEU A2976 5.134 10.131 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A2976 4.945 8.701 -3.855 1.00 0.00 H new ATOM 359 N PRO A2977 1.461 7.545 -0.807 1.00 0.00 N ATOM 360 CA PRO A2977 0.429 7.086 0.171 1.00 0.00 C ATOM 361 C PRO A2977 -0.838 7.978 0.201 1.00 0.00 C ATOM 362 O PRO A2977 -0.836 9.105 -0.300 1.00 0.00 O ATOM 363 CB PRO A2977 1.169 7.083 1.546 1.00 0.00 C ATOM 364 CG PRO A2977 2.404 7.915 1.337 1.00 0.00 C ATOM 365 CD PRO A2977 2.770 7.781 -0.132 1.00 0.00 C ATOM 0 HA PRO A2977 0.042 6.104 -0.102 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.541 7.503 2.331 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.426 6.069 1.852 1.00 0.00 H new ATOM 0 HG2 PRO A2977 2.219 8.957 1.597 1.00 0.00 H new ATOM 0 HG3 PRO A2977 3.218 7.568 1.973 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.256 8.682 -0.507 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.460 6.954 -0.298 1.00 0.00 H new ATOM 373 N ASP A2978 -1.906 7.457 0.828 1.00 0.00 N ATOM 374 CA ASP A2978 -3.244 8.089 0.814 1.00 0.00 C ATOM 375 C ASP A2978 -3.278 9.446 1.555 1.00 0.00 C ATOM 376 O ASP A2978 -4.160 10.270 1.298 1.00 0.00 O ATOM 377 CB ASP A2978 -4.299 7.124 1.410 1.00 0.00 C ATOM 378 CG ASP A2978 -4.386 5.785 0.653 1.00 0.00 C ATOM 379 OD1 ASP A2978 -5.160 5.683 -0.324 1.00 0.00 O ATOM 380 OD2 ASP A2978 -3.675 4.826 1.035 1.00 0.00 O ATOM 0 H ASP A2978 -1.870 6.587 1.359 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.484 8.295 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -4.056 6.929 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -5.276 7.608 1.395 1.00 0.00 H new ATOM 385 N ASP A2979 -2.292 9.674 2.438 1.00 0.00 N ATOM 386 CA ASP A2979 -2.259 10.839 3.344 1.00 0.00 C ATOM 387 C ASP A2979 -1.916 12.146 2.602 1.00 0.00 C ATOM 388 O ASP A2979 -2.625 13.157 2.728 1.00 0.00 O ATOM 389 CB ASP A2979 -1.248 10.587 4.485 1.00 0.00 C ATOM 390 CG ASP A2979 -1.369 11.606 5.621 1.00 0.00 C ATOM 391 OD1 ASP A2979 -2.229 11.416 6.506 1.00 0.00 O ATOM 392 OD2 ASP A2979 -0.624 12.608 5.637 1.00 0.00 O ATOM 0 H ASP A2979 -1.490 9.053 2.546 1.00 0.00 H new ATOM 0 HA ASP A2979 -3.259 10.961 3.761 1.00 0.00 H new ATOM 0 HB2 ASP A2979 -1.401 9.584 4.885 1.00 0.00 H new ATOM 0 HB3 ASP A2979 -0.236 10.618 4.081 1.00 0.00 H new ATOM 397 N ILE A2980 -0.810 12.141 1.846 1.00 0.00 N ATOM 398 CA ILE A2980 -0.377 13.348 1.114 1.00 0.00 C ATOM 399 C ILE A2980 -1.149 13.483 -0.209 1.00 0.00 C ATOM 400 O ILE A2980 -1.285 14.584 -0.722 1.00 0.00 O ATOM 401 CB ILE A2980 1.185 13.441 0.856 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.659 12.554 -0.338 1.00 0.00 C ATOM 403 CG2 ILE A2980 1.973 13.098 2.149 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.504 11.086 -0.100 1.00 0.00 C ATOM 0 H ILE A2980 -0.204 11.330 1.723 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.613 14.185 1.771 1.00 0.00 H new ATOM 0 HB ILE A2980 1.396 14.473 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A2980 1.095 12.829 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.707 12.770 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.043 13.167 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A2980 1.703 13.801 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A2980 1.727 12.085 2.467 1.00 0.00 H new ATOM 0 HD11 ILE A2980 1.855 10.537 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A2980 2.091 10.795 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.453 10.855 0.076 1.00 0.00 H new ATOM 416 N ARG A2981 -1.661 12.353 -0.758 1.00 0.00 N ATOM 417 CA ARG A2981 -2.388 12.365 -2.043 1.00 0.00 C ATOM 418 C ARG A2981 -3.769 13.036 -1.855 1.00 0.00 C ATOM 419 O ARG A2981 -4.245 13.756 -2.748 1.00 0.00 O ATOM 420 CB ARG A2981 -2.469 10.925 -2.671 1.00 0.00 C ATOM 421 CG ARG A2981 -3.560 9.959 -2.127 1.00 0.00 C ATOM 422 CD ARG A2981 -4.908 10.045 -2.869 1.00 0.00 C ATOM 423 NE ARG A2981 -5.880 9.044 -2.412 1.00 0.00 N ATOM 424 CZ ARG A2981 -6.026 7.806 -2.921 1.00 0.00 C ATOM 425 NH1 ARG A2981 -5.187 7.350 -3.856 1.00 0.00 N ATOM 426 NH2 ARG A2981 -6.998 7.031 -2.484 1.00 0.00 N ATOM 0 H ARG A2981 -1.582 11.430 -0.331 1.00 0.00 H new ATOM 0 HA ARG A2981 -1.836 12.964 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -2.624 11.035 -3.744 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -1.499 10.446 -2.537 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -3.188 8.936 -2.190 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -3.725 10.173 -1.071 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -5.329 11.041 -2.732 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -4.737 9.916 -3.938 1.00 0.00 H new ATOM 0 HE ARG A2981 -6.497 9.309 -1.644 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -4.427 7.941 -4.191 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -5.307 6.410 -4.234 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -7.636 7.370 -1.763 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -7.113 6.092 -2.866 1.00 0.00 H new ATOM 440 N ARG A2982 -4.394 12.813 -0.669 1.00 0.00 N ATOM 441 CA ARG A2982 -5.650 13.490 -0.309 1.00 0.00 C ATOM 442 C ARG A2982 -5.373 14.979 -0.058 1.00 0.00 C ATOM 443 O ARG A2982 -6.129 15.825 -0.536 1.00 0.00 O ATOM 444 CB ARG A2982 -6.350 12.843 0.931 1.00 0.00 C ATOM 445 CG ARG A2982 -5.574 12.974 2.252 1.00 0.00 C ATOM 446 CD ARG A2982 -6.247 12.333 3.469 1.00 0.00 C ATOM 447 NE ARG A2982 -5.363 12.392 4.660 1.00 0.00 N ATOM 448 CZ ARG A2982 -5.761 12.624 5.921 1.00 0.00 C ATOM 449 NH1 ARG A2982 -7.031 12.869 6.199 1.00 0.00 N ATOM 450 NH2 ARG A2982 -4.880 12.617 6.903 1.00 0.00 N ATOM 0 H ARG A2982 -4.045 12.173 0.044 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.339 13.377 -1.146 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.332 13.300 1.056 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.515 11.785 0.726 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.589 12.525 2.123 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -5.417 14.033 2.459 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -7.185 12.846 3.682 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -6.495 11.295 3.247 1.00 0.00 H new ATOM 0 HE ARG A2982 -4.366 12.243 4.507 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -7.723 12.883 5.450 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -7.318 13.043 7.162 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -3.896 12.435 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -5.183 12.793 7.861 1.00 0.00 H new ATOM 464 N GLU A2983 -4.256 15.297 0.660 1.00 0.00 N ATOM 465 CA GLU A2983 -3.963 16.685 1.065 1.00 0.00 C ATOM 466 C GLU A2983 -3.643 17.558 -0.158 1.00 0.00 C ATOM 467 O GLU A2983 -4.089 18.696 -0.213 1.00 0.00 O ATOM 468 CB GLU A2983 -2.845 16.737 2.163 1.00 0.00 C ATOM 469 CG GLU A2983 -1.359 16.764 1.688 1.00 0.00 C ATOM 470 CD GLU A2983 -0.774 18.180 1.519 1.00 0.00 C ATOM 471 OE1 GLU A2983 -0.534 18.847 2.541 1.00 0.00 O ATOM 472 OE2 GLU A2983 -0.554 18.633 0.381 1.00 0.00 O ATOM 0 H GLU A2983 -3.560 14.615 0.961 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.858 17.105 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -3.017 17.623 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -2.973 15.871 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -0.750 16.215 2.406 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.284 16.236 0.737 1.00 0.00 H new ATOM 479 N VAL A2984 -2.908 17.000 -1.155 1.00 0.00 N ATOM 480 CA VAL A2984 -2.557 17.741 -2.387 1.00 0.00 C ATOM 481 C VAL A2984 -3.815 18.000 -3.237 1.00 0.00 C ATOM 482 O VAL A2984 -3.976 19.093 -3.756 1.00 0.00 O ATOM 483 CB VAL A2984 -1.423 17.040 -3.249 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.102 16.941 -2.451 1.00 0.00 C ATOM 485 CG2 VAL A2984 -1.852 15.655 -3.795 1.00 0.00 C ATOM 0 H VAL A2984 -2.551 16.045 -1.127 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.139 18.694 -2.064 1.00 0.00 H new ATOM 0 HB VAL A2984 -1.254 17.675 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A2984 0.658 16.457 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A2984 0.234 17.941 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.266 16.355 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -1.036 15.224 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.093 14.994 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -2.729 15.771 -4.431 1.00 0.00 H new ATOM 495 N LEU A2985 -4.721 17.004 -3.328 1.00 0.00 N ATOM 496 CA LEU A2985 -5.999 17.155 -4.056 1.00 0.00 C ATOM 497 C LEU A2985 -6.850 18.308 -3.449 1.00 0.00 C ATOM 498 O LEU A2985 -7.345 19.197 -4.177 1.00 0.00 O ATOM 499 CB LEU A2985 -6.776 15.802 -4.039 1.00 0.00 C ATOM 500 CG LEU A2985 -8.178 15.779 -4.748 1.00 0.00 C ATOM 501 CD1 LEU A2985 -8.081 16.166 -6.244 1.00 0.00 C ATOM 502 CD2 LEU A2985 -8.871 14.410 -4.578 1.00 0.00 C ATOM 0 H LEU A2985 -4.591 16.085 -2.906 1.00 0.00 H new ATOM 0 HA LEU A2985 -5.790 17.420 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.147 15.044 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -6.916 15.504 -3.000 1.00 0.00 H new ATOM 0 HG LEU A2985 -8.792 16.534 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -9.074 16.136 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -7.672 17.172 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -7.428 15.462 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -9.838 14.427 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -8.248 13.630 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.016 14.205 -3.517 1.00 0.00 H new ATOM 514 N GLN A2986 -6.936 18.315 -2.113 1.00 0.00 N ATOM 515 CA GLN A2986 -7.751 19.275 -1.347 1.00 0.00 C ATOM 516 C GLN A2986 -7.110 20.681 -1.313 1.00 0.00 C ATOM 517 O GLN A2986 -7.821 21.685 -1.331 1.00 0.00 O ATOM 518 CB GLN A2986 -7.987 18.730 0.091 1.00 0.00 C ATOM 519 CG GLN A2986 -8.768 17.391 0.131 1.00 0.00 C ATOM 520 CD GLN A2986 -8.952 16.779 1.527 1.00 0.00 C ATOM 521 OE1 GLN A2986 -9.963 16.125 1.801 1.00 0.00 O ATOM 522 NE2 GLN A2986 -7.969 16.939 2.406 1.00 0.00 N ATOM 0 H GLN A2986 -6.437 17.648 -1.524 1.00 0.00 H new ATOM 0 HA GLN A2986 -8.712 19.383 -1.850 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -7.023 18.593 0.580 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -8.534 19.476 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -9.752 17.550 -0.310 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -8.249 16.668 -0.499 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -7.144 17.484 2.155 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -8.039 16.517 3.332 1.00 0.00 H new ATOM 531 N ASN A2987 -5.767 20.741 -1.271 1.00 0.00 N ATOM 532 CA ASN A2987 -5.015 22.024 -1.208 1.00 0.00 C ATOM 533 C ASN A2987 -4.961 22.732 -2.573 1.00 0.00 C ATOM 534 O ASN A2987 -5.007 23.967 -2.629 1.00 0.00 O ATOM 535 CB ASN A2987 -3.574 21.795 -0.659 1.00 0.00 C ATOM 536 CG ASN A2987 -3.529 21.537 0.857 1.00 0.00 C ATOM 537 OD1 ASN A2987 -4.496 21.062 1.454 1.00 0.00 O ATOM 538 ND2 ASN A2987 -2.394 21.805 1.483 1.00 0.00 N ATOM 0 H ASN A2987 -5.170 19.914 -1.279 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.555 22.676 -0.522 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -3.127 20.947 -1.177 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -2.963 22.668 -0.889 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -2.306 21.618 2.482 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -1.607 22.198 0.966 1.00 0.00 H new ATOM 545 N GLN A2988 -4.842 21.950 -3.666 1.00 0.00 N ATOM 546 CA GLN A2988 -4.735 22.511 -5.036 1.00 0.00 C ATOM 547 C GLN A2988 -6.077 23.104 -5.502 1.00 0.00 C ATOM 548 O GLN A2988 -6.156 24.289 -5.842 1.00 0.00 O ATOM 549 CB GLN A2988 -4.250 21.429 -6.047 1.00 0.00 C ATOM 550 CG GLN A2988 -2.799 20.946 -5.840 1.00 0.00 C ATOM 551 CD GLN A2988 -2.429 19.704 -6.674 1.00 0.00 C ATOM 552 OE1 GLN A2988 -1.276 19.536 -7.079 1.00 0.00 O ATOM 553 NE2 GLN A2988 -3.379 18.795 -6.896 1.00 0.00 N ATOM 0 H GLN A2988 -4.817 20.931 -3.631 1.00 0.00 H new ATOM 0 HA GLN A2988 -3.997 23.313 -5.003 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -4.916 20.569 -5.982 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -4.343 21.829 -7.057 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -2.117 21.758 -6.093 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -2.649 20.720 -4.784 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -4.326 18.953 -6.553 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -3.158 17.942 -7.409 1.00 0.00 H new ATOM 562 N LEU A2989 -7.140 22.271 -5.499 1.00 0.00 N ATOM 563 CA LEU A2989 -8.439 22.642 -6.105 1.00 0.00 C ATOM 564 C LEU A2989 -9.425 23.161 -5.055 1.00 0.00 C ATOM 565 O LEU A2989 -10.365 23.881 -5.407 1.00 0.00 O ATOM 566 CB LEU A2989 -9.078 21.454 -6.879 1.00 0.00 C ATOM 567 CG LEU A2989 -8.203 20.788 -8.003 1.00 0.00 C ATOM 568 CD1 LEU A2989 -7.452 21.845 -8.852 1.00 0.00 C ATOM 569 CD2 LEU A2989 -7.241 19.720 -7.426 1.00 0.00 C ATOM 0 H LEU A2989 -7.125 21.339 -5.085 1.00 0.00 H new ATOM 0 HA LEU A2989 -8.228 23.443 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -9.347 20.683 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -10.005 21.804 -7.333 1.00 0.00 H new ATOM 0 HG LEU A2989 -8.887 20.270 -8.675 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -6.859 21.343 -9.617 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -8.174 22.508 -9.329 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -6.794 22.428 -8.208 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -6.654 19.284 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -6.572 20.186 -6.703 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -7.819 18.938 -6.934 1.00 0.00 H new ATOM 581 N GLY A2990 -9.215 22.796 -3.773 1.00 0.00 N ATOM 582 CA GLY A2990 -10.169 23.127 -2.710 1.00 0.00 C ATOM 583 C GLY A2990 -11.413 22.256 -2.771 1.00 0.00 C ATOM 584 O GLY A2990 -12.537 22.728 -2.572 1.00 0.00 O ATOM 0 H GLY A2990 -8.397 22.275 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -9.688 23.005 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -10.456 24.175 -2.794 1.00 0.00 H new ATOM 588 N ILE A2991 -11.189 20.967 -3.046 1.00 0.00 N ATOM 589 CA ILE A2991 -12.248 19.955 -3.203 1.00 0.00 C ATOM 590 C ILE A2991 -12.182 18.984 -2.010 1.00 0.00 C ATOM 591 O ILE A2991 -11.115 18.468 -1.690 1.00 0.00 O ATOM 592 CB ILE A2991 -12.081 19.217 -4.603 1.00 0.00 C ATOM 593 CG1 ILE A2991 -13.233 18.173 -4.920 1.00 0.00 C ATOM 594 CG2 ILE A2991 -10.684 18.565 -4.741 1.00 0.00 C ATOM 595 CD1 ILE A2991 -13.090 16.758 -4.331 1.00 0.00 C ATOM 0 H ILE A2991 -10.250 20.587 -3.169 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.234 20.419 -3.205 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.172 20.001 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -14.174 18.592 -4.564 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -13.314 18.080 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -10.607 18.071 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -9.915 19.333 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -10.545 17.831 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -13.946 16.152 -4.627 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -12.174 16.299 -4.704 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -13.048 16.819 -3.244 1.00 0.00 H new ATOM 607 N ARG A2992 -13.325 18.758 -1.336 1.00 0.00 N ATOM 608 CA ARG A2992 -13.428 17.768 -0.243 1.00 0.00 C ATOM 609 C ARG A2992 -14.417 16.644 -0.659 1.00 0.00 C ATOM 610 O ARG A2992 -15.509 16.946 -1.163 1.00 0.00 O ATOM 611 CB ARG A2992 -13.842 18.450 1.097 1.00 0.00 C ATOM 612 CG ARG A2992 -15.216 19.159 1.100 1.00 0.00 C ATOM 613 CD ARG A2992 -15.516 19.848 2.444 1.00 0.00 C ATOM 614 NE ARG A2992 -14.480 20.841 2.785 1.00 0.00 N ATOM 615 CZ ARG A2992 -14.159 21.256 4.033 1.00 0.00 C ATOM 616 NH1 ARG A2992 -14.755 20.733 5.102 1.00 0.00 N ATOM 617 NH2 ARG A2992 -13.218 22.172 4.199 1.00 0.00 N ATOM 0 H ARG A2992 -14.197 19.251 -1.530 1.00 0.00 H new ATOM 0 HA ARG A2992 -12.451 17.318 -0.069 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -13.844 17.693 1.881 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -13.078 19.181 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -15.242 19.900 0.301 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -15.998 18.431 0.885 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -16.489 20.338 2.394 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -15.577 19.098 3.233 1.00 0.00 H new ATOM 0 HE ARG A2992 -13.958 21.252 2.011 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -15.464 20.009 4.987 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -14.502 21.056 6.036 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -12.738 22.562 3.388 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -12.973 22.487 5.138 1.00 0.00 H new