USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 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 32 SER OG : rot 6:sc= 0.293 USER MOD Set 1.2: A 38 SER OG : rot 82:sc= 1.53 USER MOD Single : A 9 SER OG : rot -18:sc= 0.27 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 44 SER OG : rot 63:sc= 0.0756 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -5.42! C(o=-5.4!,f=-10!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 88:sc= 0.0974 USER MOD Single : A 82 THR OG1 : rot 77:sc= 0.779 USER MOD Single : A 83 SER OG : rot -76:sc= 0.0613 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N SER A 9 -8.939 -12.600 1.025 1.00 0.00 N ATOM 117 CA SER A 9 -9.561 -12.942 2.292 1.00 0.00 C ATOM 118 C SER A 9 -10.689 -11.956 2.604 1.00 0.00 C ATOM 119 O SER A 9 -10.644 -10.802 2.181 1.00 0.00 O ATOM 120 CB SER A 9 -8.534 -12.949 3.426 1.00 0.00 C ATOM 121 OG SER A 9 -7.605 -11.874 3.312 1.00 0.00 O ATOM 0 HA SER A 9 -9.977 -13.946 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.051 -12.882 4.383 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.995 -13.896 3.421 1.00 0.00 H new ATOM 0 HG SER A 9 -7.625 -11.520 2.399 1.00 0.00 H new ATOM 127 N GLY A 10 -11.674 -12.447 3.341 1.00 0.00 N ATOM 128 CA GLY A 10 -12.812 -11.624 3.714 1.00 0.00 C ATOM 129 C GLY A 10 -12.435 -10.638 4.823 1.00 0.00 C ATOM 130 O GLY A 10 -11.551 -9.803 4.641 1.00 0.00 O ATOM 0 H GLY A 10 -11.708 -13.405 3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.171 -11.077 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.631 -12.260 4.051 1.00 0.00 H new ATOM 134 N ARG A 11 -13.126 -10.769 5.946 1.00 0.00 N ATOM 135 CA ARG A 11 -12.875 -9.900 7.084 1.00 0.00 C ATOM 136 C ARG A 11 -11.417 -10.021 7.533 1.00 0.00 C ATOM 137 O ARG A 11 -10.763 -9.016 7.807 1.00 0.00 O ATOM 138 CB ARG A 11 -13.793 -10.249 8.256 1.00 0.00 C ATOM 139 CG ARG A 11 -13.994 -9.042 9.174 1.00 0.00 C ATOM 140 CD ARG A 11 -15.243 -9.213 10.041 1.00 0.00 C ATOM 141 NE ARG A 11 -15.151 -8.349 11.239 1.00 0.00 N ATOM 142 CZ ARG A 11 -14.345 -8.601 12.293 1.00 0.00 C ATOM 143 NH1 ARG A 11 -13.555 -9.695 12.305 1.00 0.00 N ATOM 144 NH2 ARG A 11 -14.343 -7.760 13.311 1.00 0.00 N ATOM 0 H ARG A 11 -13.859 -11.463 6.092 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.078 -8.876 6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.758 -10.588 7.878 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.365 -11.075 8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.119 -8.916 9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.085 -8.136 8.575 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -16.133 -8.957 9.466 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -15.347 -10.256 10.342 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.732 -7.511 11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.564 -10.339 11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.949 -9.878 13.105 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.944 -6.936 13.293 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.741 -7.934 14.115 1.00 0.00 H new ATOM 158 N ALA A 12 -10.952 -11.260 7.594 1.00 0.00 N ATOM 159 CA ALA A 12 -9.583 -11.525 8.006 1.00 0.00 C ATOM 160 C ALA A 12 -8.648 -10.521 7.329 1.00 0.00 C ATOM 161 O ALA A 12 -7.587 -10.200 7.862 1.00 0.00 O ATOM 162 CB ALA A 12 -9.222 -12.974 7.672 1.00 0.00 C ATOM 0 H ALA A 12 -11.498 -12.091 7.365 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.475 -11.401 9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.196 -13.174 7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.897 -13.648 8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.316 -13.134 6.598 1.00 0.00 H new ATOM 168 N ALA A 13 -9.076 -10.053 6.166 1.00 0.00 N ATOM 169 CA ALA A 13 -8.290 -9.091 5.412 1.00 0.00 C ATOM 170 C ALA A 13 -7.724 -8.039 6.368 1.00 0.00 C ATOM 171 O ALA A 13 -6.512 -7.844 6.434 1.00 0.00 O ATOM 172 CB ALA A 13 -9.157 -8.474 4.312 1.00 0.00 C ATOM 0 H ALA A 13 -9.957 -10.322 5.727 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.447 -9.581 4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.568 -7.752 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.509 -9.259 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.012 -7.970 4.762 1.00 0.00 H new ATOM 178 N VAL A 14 -8.630 -7.390 7.084 1.00 0.00 N ATOM 179 CA VAL A 14 -8.236 -6.362 8.034 1.00 0.00 C ATOM 180 C VAL A 14 -7.042 -6.860 8.851 1.00 0.00 C ATOM 181 O VAL A 14 -6.057 -6.142 9.019 1.00 0.00 O ATOM 182 CB VAL A 14 -9.432 -5.967 8.903 1.00 0.00 C ATOM 183 CG1 VAL A 14 -10.674 -5.717 8.045 1.00 0.00 C ATOM 184 CG2 VAL A 14 -9.707 -7.026 9.972 1.00 0.00 C ATOM 0 H VAL A 14 -9.635 -7.555 7.026 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.919 -5.460 7.511 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.184 -5.036 9.412 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.510 -5.438 8.687 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.473 -4.910 7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.926 -6.624 7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.562 -6.720 10.575 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.924 -7.980 9.492 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.831 -7.133 10.612 1.00 0.00 H new ATOM 194 N ALA A 15 -7.168 -8.086 9.338 1.00 0.00 N ATOM 195 CA ALA A 15 -6.112 -8.688 10.133 1.00 0.00 C ATOM 196 C ALA A 15 -4.800 -8.645 9.347 1.00 0.00 C ATOM 197 O ALA A 15 -3.762 -8.261 9.885 1.00 0.00 O ATOM 198 CB ALA A 15 -6.513 -10.113 10.521 1.00 0.00 C ATOM 0 H ALA A 15 -7.986 -8.679 9.197 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.961 -8.129 11.057 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.720 -10.564 11.118 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.434 -10.086 11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.670 -10.705 9.619 1.00 0.00 H new ATOM 204 N ALA A 16 -4.889 -9.044 8.087 1.00 0.00 N ATOM 205 CA ALA A 16 -3.722 -9.056 7.222 1.00 0.00 C ATOM 206 C ALA A 16 -3.201 -7.627 7.056 1.00 0.00 C ATOM 207 O ALA A 16 -2.018 -7.420 6.791 1.00 0.00 O ATOM 208 CB ALA A 16 -4.085 -9.703 5.884 1.00 0.00 C ATOM 0 H ALA A 16 -5.751 -9.361 7.644 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.922 -9.649 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.209 -9.712 5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.421 -10.726 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.883 -9.133 5.409 1.00 0.00 H new ATOM 214 N VAL A 17 -4.110 -6.677 7.218 1.00 0.00 N ATOM 215 CA VAL A 17 -3.757 -5.273 7.089 1.00 0.00 C ATOM 216 C VAL A 17 -3.142 -4.784 8.402 1.00 0.00 C ATOM 217 O VAL A 17 -2.400 -3.803 8.417 1.00 0.00 O ATOM 218 CB VAL A 17 -4.983 -4.462 6.665 1.00 0.00 C ATOM 219 CG1 VAL A 17 -4.714 -2.960 6.781 1.00 0.00 C ATOM 220 CG2 VAL A 17 -5.421 -4.833 5.246 1.00 0.00 C ATOM 0 H VAL A 17 -5.091 -6.852 7.437 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.008 -5.137 6.308 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.800 -4.709 7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.601 -2.407 6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.472 -2.712 7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.877 -2.690 6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.294 -4.243 4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.608 -4.628 4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.673 -5.893 5.208 1.00 0.00 H new ATOM 230 N VAL A 18 -3.475 -5.490 9.473 1.00 0.00 N ATOM 231 CA VAL A 18 -2.964 -5.139 10.788 1.00 0.00 C ATOM 232 C VAL A 18 -1.468 -5.453 10.850 1.00 0.00 C ATOM 233 O VAL A 18 -0.707 -4.737 11.498 1.00 0.00 O ATOM 234 CB VAL A 18 -3.771 -5.858 11.871 1.00 0.00 C ATOM 235 CG1 VAL A 18 -3.104 -5.712 13.240 1.00 0.00 C ATOM 236 CG2 VAL A 18 -5.214 -5.351 11.907 1.00 0.00 C ATOM 0 H VAL A 18 -4.092 -6.302 9.457 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.079 -4.071 10.970 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.795 -6.919 11.622 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.698 -6.232 13.991 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.104 -6.144 13.205 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.034 -4.656 13.500 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.766 -5.878 12.685 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.219 -4.282 12.120 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.687 -5.531 10.942 1.00 0.00 H new ATOM 246 N GLY A 19 -1.092 -6.524 10.167 1.00 0.00 N ATOM 247 CA GLY A 19 0.299 -6.942 10.136 1.00 0.00 C ATOM 248 C GLY A 19 1.160 -5.927 9.381 1.00 0.00 C ATOM 249 O GLY A 19 1.408 -6.085 8.186 1.00 0.00 O ATOM 0 H GLY A 19 -1.727 -7.115 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.671 -7.054 11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.378 -7.918 9.658 1.00 0.00 H new ATOM 253 N GLY A 20 1.591 -4.907 10.108 1.00 0.00 N ATOM 254 CA GLY A 20 2.418 -3.866 9.521 1.00 0.00 C ATOM 255 C GLY A 20 1.985 -2.482 10.009 1.00 0.00 C ATOM 256 O GLY A 20 1.798 -1.568 9.207 1.00 0.00 O ATOM 0 H GLY A 20 1.383 -4.779 11.098 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.463 -4.037 9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.348 -3.911 8.434 1.00 0.00 H new ATOM 260 N VAL A 21 1.840 -2.371 11.321 1.00 0.00 N ATOM 261 CA VAL A 21 1.433 -1.114 11.925 1.00 0.00 C ATOM 262 C VAL A 21 2.475 -0.039 11.606 1.00 0.00 C ATOM 263 O VAL A 21 2.168 0.950 10.942 1.00 0.00 O ATOM 264 CB VAL A 21 1.210 -1.302 13.427 1.00 0.00 C ATOM 265 CG1 VAL A 21 0.968 0.041 14.119 1.00 0.00 C ATOM 266 CG2 VAL A 21 0.056 -2.271 13.692 1.00 0.00 C ATOM 0 H VAL A 21 1.997 -3.131 11.983 1.00 0.00 H new ATOM 0 HA VAL A 21 0.483 -0.781 11.508 1.00 0.00 H new ATOM 0 HB VAL A 21 2.117 -1.736 13.848 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.813 -0.122 15.185 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.834 0.687 13.973 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.085 0.516 13.692 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.082 -2.387 14.767 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.859 -1.877 13.249 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.285 -3.240 13.249 1.00 0.00 H new ATOM 276 N VAL A 22 3.684 -0.269 12.094 1.00 0.00 N ATOM 277 CA VAL A 22 4.773 0.667 11.870 1.00 0.00 C ATOM 278 C VAL A 22 4.777 1.094 10.400 1.00 0.00 C ATOM 279 O VAL A 22 4.815 2.285 10.097 1.00 0.00 O ATOM 280 CB VAL A 22 6.098 0.046 12.315 1.00 0.00 C ATOM 281 CG1 VAL A 22 7.284 0.899 11.861 1.00 0.00 C ATOM 282 CG2 VAL A 22 6.122 -0.164 13.831 1.00 0.00 C ATOM 0 H VAL A 22 3.934 -1.091 12.644 1.00 0.00 H new ATOM 0 HA VAL A 22 4.634 1.566 12.471 1.00 0.00 H new ATOM 0 HB VAL A 22 6.187 -0.931 11.839 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.213 0.435 12.191 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.282 0.975 10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.203 1.896 12.295 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.075 -0.607 14.122 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.999 0.796 14.333 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.309 -0.831 14.119 1.00 0.00 H new ATOM 292 N ALA A 23 4.738 0.098 9.528 1.00 0.00 N ATOM 293 CA ALA A 23 4.737 0.355 8.098 1.00 0.00 C ATOM 294 C ALA A 23 3.633 1.362 7.766 1.00 0.00 C ATOM 295 O ALA A 23 3.857 2.307 7.010 1.00 0.00 O ATOM 296 CB ALA A 23 4.569 -0.964 7.341 1.00 0.00 C ATOM 0 H ALA A 23 4.707 -0.889 9.784 1.00 0.00 H new ATOM 0 HA ALA A 23 5.686 0.791 7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.568 -0.770 6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.393 -1.633 7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.626 -1.430 7.626 1.00 0.00 H new ATOM 302 N VAL A 24 2.466 1.126 8.347 1.00 0.00 N ATOM 303 CA VAL A 24 1.328 2.000 8.123 1.00 0.00 C ATOM 304 C VAL A 24 1.678 3.415 8.587 1.00 0.00 C ATOM 305 O VAL A 24 1.235 4.395 7.990 1.00 0.00 O ATOM 306 CB VAL A 24 0.088 1.433 8.817 1.00 0.00 C ATOM 307 CG1 VAL A 24 -1.124 2.343 8.606 1.00 0.00 C ATOM 308 CG2 VAL A 24 -0.206 0.010 8.338 1.00 0.00 C ATOM 0 H VAL A 24 2.284 0.341 8.973 1.00 0.00 H new ATOM 0 HA VAL A 24 1.092 2.055 7.060 1.00 0.00 H new ATOM 0 HB VAL A 24 0.293 1.391 9.887 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.991 1.916 9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.914 3.330 9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.331 2.432 7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.092 -0.369 8.847 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.380 0.017 7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.645 -0.633 8.563 1.00 0.00 H new ATOM 318 N GLY A 25 2.469 3.477 9.648 1.00 0.00 N ATOM 319 CA GLY A 25 2.883 4.756 10.199 1.00 0.00 C ATOM 320 C GLY A 25 3.852 5.472 9.255 1.00 0.00 C ATOM 321 O GLY A 25 3.575 6.580 8.799 1.00 0.00 O ATOM 0 H GLY A 25 2.834 2.662 10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.008 5.382 10.371 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.360 4.602 11.167 1.00 0.00 H new ATOM 325 N THR A 26 4.968 4.809 8.991 1.00 0.00 N ATOM 326 CA THR A 26 5.979 5.368 8.110 1.00 0.00 C ATOM 327 C THR A 26 5.328 5.955 6.855 1.00 0.00 C ATOM 328 O THR A 26 5.568 7.111 6.510 1.00 0.00 O ATOM 329 CB THR A 26 7.001 4.270 7.807 1.00 0.00 C ATOM 330 OG1 THR A 26 7.779 4.182 8.998 1.00 0.00 O ATOM 331 CG2 THR A 26 8.009 4.689 6.734 1.00 0.00 C ATOM 0 H THR A 26 5.194 3.890 9.372 1.00 0.00 H new ATOM 0 HA THR A 26 6.502 6.198 8.585 1.00 0.00 H new ATOM 0 HB THR A 26 6.480 3.368 7.484 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.466 3.492 8.890 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.711 3.875 6.557 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.481 4.920 5.809 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.554 5.571 7.071 1.00 0.00 H new ATOM 339 N VAL A 27 4.518 5.131 6.208 1.00 0.00 N ATOM 340 CA VAL A 27 3.830 5.554 4.999 1.00 0.00 C ATOM 341 C VAL A 27 2.971 6.781 5.310 1.00 0.00 C ATOM 342 O VAL A 27 3.036 7.785 4.601 1.00 0.00 O ATOM 343 CB VAL A 27 3.024 4.390 4.421 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.198 4.841 3.215 1.00 0.00 C ATOM 345 CG2 VAL A 27 3.938 3.219 4.053 1.00 0.00 C ATOM 0 H VAL A 27 4.322 4.173 6.497 1.00 0.00 H new ATOM 0 HA VAL A 27 4.548 5.846 4.233 1.00 0.00 H new ATOM 0 HB VAL A 27 2.333 4.046 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.634 3.994 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.507 5.627 3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.863 5.224 2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.340 2.405 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.664 3.544 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.462 2.873 4.944 1.00 0.00 H new ATOM 355 N LEU A 28 2.185 6.661 6.370 1.00 0.00 N ATOM 356 CA LEU A 28 1.313 7.747 6.782 1.00 0.00 C ATOM 357 C LEU A 28 2.121 9.045 6.851 1.00 0.00 C ATOM 358 O LEU A 28 1.863 9.981 6.095 1.00 0.00 O ATOM 359 CB LEU A 28 0.601 7.396 8.090 1.00 0.00 C ATOM 360 CG LEU A 28 -0.592 8.278 8.463 1.00 0.00 C ATOM 361 CD1 LEU A 28 -1.892 7.713 7.888 1.00 0.00 C ATOM 362 CD2 LEU A 28 -0.674 8.479 9.977 1.00 0.00 C ATOM 0 H LEU A 28 2.134 5.828 6.956 1.00 0.00 H new ATOM 0 HA LEU A 28 0.523 7.901 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.258 6.363 8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.329 7.442 8.900 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.443 9.261 8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.724 8.359 8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.819 7.665 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.060 6.712 8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.531 9.110 10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.788 7.512 10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.239 8.959 10.330 1.00 0.00 H new ATOM 374 N VAL A 29 3.081 9.060 7.764 1.00 0.00 N ATOM 375 CA VAL A 29 3.928 10.227 7.941 1.00 0.00 C ATOM 376 C VAL A 29 4.533 10.622 6.592 1.00 0.00 C ATOM 377 O VAL A 29 4.835 11.791 6.362 1.00 0.00 O ATOM 378 CB VAL A 29 4.984 9.950 9.012 1.00 0.00 C ATOM 379 CG1 VAL A 29 5.906 8.804 8.590 1.00 0.00 C ATOM 380 CG2 VAL A 29 5.787 11.212 9.330 1.00 0.00 C ATOM 0 H VAL A 29 3.291 8.282 8.389 1.00 0.00 H new ATOM 0 HA VAL A 29 3.341 11.075 8.295 1.00 0.00 H new ATOM 0 HB VAL A 29 4.466 9.645 9.922 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.647 8.628 9.369 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.317 7.900 8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.412 9.067 7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.531 10.987 10.094 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.288 11.561 8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.115 11.989 9.695 1.00 0.00 H new ATOM 390 N ALA A 30 4.693 9.623 5.737 1.00 0.00 N ATOM 391 CA ALA A 30 5.258 9.851 4.417 1.00 0.00 C ATOM 392 C ALA A 30 4.383 10.851 3.659 1.00 0.00 C ATOM 393 O ALA A 30 4.803 11.978 3.402 1.00 0.00 O ATOM 394 CB ALA A 30 5.390 8.516 3.681 1.00 0.00 C ATOM 0 H ALA A 30 4.442 8.654 5.932 1.00 0.00 H new ATOM 0 HA ALA A 30 6.257 10.280 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.814 8.687 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.044 7.852 4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.406 8.057 3.581 1.00 0.00 H new ATOM 400 N LEU A 31 3.182 10.402 3.322 1.00 0.00 N ATOM 401 CA LEU A 31 2.245 11.244 2.599 1.00 0.00 C ATOM 402 C LEU A 31 1.905 12.470 3.449 1.00 0.00 C ATOM 403 O LEU A 31 2.087 13.604 3.010 1.00 0.00 O ATOM 404 CB LEU A 31 1.019 10.435 2.169 1.00 0.00 C ATOM 405 CG LEU A 31 0.306 9.659 3.278 1.00 0.00 C ATOM 406 CD1 LEU A 31 -0.921 10.423 3.780 1.00 0.00 C ATOM 407 CD2 LEU A 31 -0.050 8.244 2.816 1.00 0.00 C ATOM 0 H LEU A 31 2.837 9.466 3.537 1.00 0.00 H new ATOM 0 HA LEU A 31 2.696 11.611 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.302 11.116 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.326 9.728 1.398 1.00 0.00 H new ATOM 0 HG LEU A 31 0.991 9.560 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.409 9.850 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.611 11.391 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.618 10.574 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.556 7.714 3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.709 8.299 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.861 7.709 2.546 1.00 0.00 H new ATOM 419 N SER A 32 1.417 12.200 4.651 1.00 0.00 N ATOM 420 CA SER A 32 1.050 13.266 5.567 1.00 0.00 C ATOM 421 C SER A 32 2.170 14.307 5.634 1.00 0.00 C ATOM 422 O SER A 32 2.049 15.391 5.066 1.00 0.00 O ATOM 423 CB SER A 32 0.754 12.716 6.963 1.00 0.00 C ATOM 424 OG SER A 32 0.397 13.747 7.879 1.00 0.00 O ATOM 0 H SER A 32 1.267 11.258 5.012 1.00 0.00 H new ATOM 0 HA SER A 32 0.143 13.740 5.193 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.056 11.989 6.902 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.630 12.186 7.337 1.00 0.00 H new ATOM 0 HG SER A 32 0.319 14.598 7.399 1.00 0.00 H new ATOM 430 N ALA A 33 3.235 13.940 6.332 1.00 0.00 N ATOM 431 CA ALA A 33 4.375 14.828 6.480 1.00 0.00 C ATOM 432 C ALA A 33 5.269 14.714 5.244 1.00 0.00 C ATOM 433 O ALA A 33 6.461 14.433 5.359 1.00 0.00 O ATOM 434 CB ALA A 33 5.121 14.490 7.773 1.00 0.00 C ATOM 0 H ALA A 33 3.332 13.040 6.801 1.00 0.00 H new ATOM 0 HA ALA A 33 4.047 15.865 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.977 15.156 7.884 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.451 14.615 8.623 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.468 13.457 7.734 1.00 0.00 H new ATOM 440 N MET A 34 4.659 14.937 4.089 1.00 0.00 N ATOM 441 CA MET A 34 5.385 14.863 2.833 1.00 0.00 C ATOM 442 C MET A 34 6.496 15.913 2.779 1.00 0.00 C ATOM 443 O MET A 34 7.568 15.660 2.232 1.00 0.00 O ATOM 444 CB MET A 34 4.416 15.085 1.669 1.00 0.00 C ATOM 445 CG MET A 34 4.560 13.983 0.618 1.00 0.00 C ATOM 446 SD MET A 34 5.865 14.398 -0.527 1.00 0.00 S ATOM 447 CE MET A 34 5.228 13.639 -2.011 1.00 0.00 C ATOM 0 H MET A 34 3.670 15.169 3.997 1.00 0.00 H new ATOM 0 HA MET A 34 5.840 13.875 2.756 1.00 0.00 H new ATOM 0 HB2 MET A 34 3.392 15.105 2.042 1.00 0.00 H new ATOM 0 HB3 MET A 34 4.608 16.056 1.212 1.00 0.00 H new ATOM 0 HG2 MET A 34 4.780 13.032 1.104 1.00 0.00 H new ATOM 0 HG3 MET A 34 3.620 13.856 0.081 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.926 13.804 -2.832 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.106 12.568 -1.848 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.263 14.081 -2.260 1.00 0.00 H new ATOM 457 N GLY A 35 6.202 17.070 3.354 1.00 0.00 N ATOM 458 CA GLY A 35 7.163 18.160 3.378 1.00 0.00 C ATOM 459 C GLY A 35 7.055 18.957 4.679 1.00 0.00 C ATOM 460 O GLY A 35 6.790 20.158 4.655 1.00 0.00 O ATOM 0 H GLY A 35 5.312 17.276 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.172 17.762 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.991 18.820 2.528 1.00 0.00 H new ATOM 464 N PHE A 36 7.265 18.258 5.784 1.00 0.00 N ATOM 465 CA PHE A 36 7.195 18.886 7.093 1.00 0.00 C ATOM 466 C PHE A 36 5.973 19.802 7.196 1.00 0.00 C ATOM 467 O PHE A 36 6.094 20.961 7.588 1.00 0.00 O ATOM 468 CB PHE A 36 8.463 19.726 7.254 1.00 0.00 C ATOM 469 CG PHE A 36 9.648 18.957 7.841 1.00 0.00 C ATOM 470 CD1 PHE A 36 9.776 18.830 9.189 1.00 0.00 C ATOM 471 CD2 PHE A 36 10.574 18.401 7.015 1.00 0.00 C ATOM 472 CE1 PHE A 36 10.877 18.117 9.734 1.00 0.00 C ATOM 473 CE2 PHE A 36 11.674 17.687 7.559 1.00 0.00 C ATOM 474 CZ PHE A 36 11.802 17.560 8.907 1.00 0.00 C ATOM 0 H PHE A 36 7.484 17.262 5.800 1.00 0.00 H new ATOM 0 HA PHE A 36 7.111 18.124 7.868 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.748 20.125 6.281 1.00 0.00 H new ATOM 0 HB3 PHE A 36 8.243 20.579 7.896 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.040 19.271 9.845 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.473 18.503 5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.980 18.017 10.804 1.00 0.00 H new ATOM 0 HE2 PHE A 36 12.409 17.245 6.903 1.00 0.00 H new ATOM 0 HZ PHE A 36 12.639 17.017 9.321 1.00 0.00 H new ATOM 484 N THR A 37 4.825 19.246 6.837 1.00 0.00 N ATOM 485 CA THR A 37 3.583 19.999 6.885 1.00 0.00 C ATOM 486 C THR A 37 2.402 19.062 7.150 1.00 0.00 C ATOM 487 O THR A 37 2.190 18.102 6.412 1.00 0.00 O ATOM 488 CB THR A 37 3.455 20.783 5.577 1.00 0.00 C ATOM 489 OG1 THR A 37 2.147 21.345 5.636 1.00 0.00 O ATOM 490 CG2 THR A 37 3.413 19.871 4.349 1.00 0.00 C ATOM 0 H THR A 37 4.729 18.284 6.512 1.00 0.00 H new ATOM 0 HA THR A 37 3.584 20.712 7.709 1.00 0.00 H new ATOM 0 HB THR A 37 4.291 21.476 5.486 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.980 21.872 4.827 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.322 20.478 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.330 19.284 4.300 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.557 19.200 4.423 1.00 0.00 H new ATOM 498 N SER A 38 1.665 19.376 8.205 1.00 0.00 N ATOM 499 CA SER A 38 0.512 18.575 8.577 1.00 0.00 C ATOM 500 C SER A 38 0.150 18.825 10.042 1.00 0.00 C ATOM 501 O SER A 38 -1.005 18.672 10.436 1.00 0.00 O ATOM 502 CB SER A 38 0.776 17.086 8.343 1.00 0.00 C ATOM 503 OG SER A 38 0.303 16.653 7.070 1.00 0.00 O ATOM 0 H SER A 38 1.844 20.174 8.814 1.00 0.00 H new ATOM 0 HA SER A 38 -0.326 18.872 7.947 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.846 16.892 8.417 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.291 16.504 9.127 1.00 0.00 H new ATOM 0 HG SER A 38 0.964 16.876 6.382 1.00 0.00 H new ATOM 509 N VAL A 39 1.160 19.206 10.811 1.00 0.00 N ATOM 510 CA VAL A 39 0.964 19.479 12.224 1.00 0.00 C ATOM 511 C VAL A 39 -0.078 20.588 12.385 1.00 0.00 C ATOM 512 O VAL A 39 -1.278 20.319 12.403 1.00 0.00 O ATOM 513 CB VAL A 39 2.303 19.818 12.883 1.00 0.00 C ATOM 514 CG1 VAL A 39 2.103 20.265 14.332 1.00 0.00 C ATOM 515 CG2 VAL A 39 3.268 18.633 12.803 1.00 0.00 C ATOM 0 H VAL A 39 2.117 19.332 10.481 1.00 0.00 H new ATOM 0 HA VAL A 39 0.581 18.595 12.734 1.00 0.00 H new ATOM 0 HB VAL A 39 2.746 20.649 12.334 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.070 20.500 14.777 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.468 21.151 14.355 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.628 19.463 14.898 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.212 18.900 13.278 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.833 17.775 13.315 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.447 18.379 11.758 1.00 0.00 H new ATOM 525 N GLY A 40 0.418 21.811 12.497 1.00 0.00 N ATOM 526 CA GLY A 40 -0.455 22.962 12.656 1.00 0.00 C ATOM 527 C GLY A 40 -1.696 22.834 11.770 1.00 0.00 C ATOM 528 O GLY A 40 -2.820 22.996 12.242 1.00 0.00 O ATOM 0 H GLY A 40 1.414 22.030 12.481 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.756 23.053 13.700 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.087 23.872 12.400 1.00 0.00 H new ATOM 532 N ILE A 41 -1.450 22.545 10.500 1.00 0.00 N ATOM 533 CA ILE A 41 -2.534 22.394 9.544 1.00 0.00 C ATOM 534 C ILE A 41 -3.601 21.468 10.130 1.00 0.00 C ATOM 535 O ILE A 41 -4.780 21.815 10.159 1.00 0.00 O ATOM 536 CB ILE A 41 -1.993 21.930 8.190 1.00 0.00 C ATOM 537 CG1 ILE A 41 -1.105 23.003 7.557 1.00 0.00 C ATOM 538 CG2 ILE A 41 -3.131 21.506 7.261 1.00 0.00 C ATOM 539 CD1 ILE A 41 0.367 22.773 7.906 1.00 0.00 C ATOM 0 H ILE A 41 -0.516 22.412 10.111 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.014 23.355 9.358 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.368 21.052 8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.232 22.993 6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.415 23.988 7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.719 21.181 6.306 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.685 20.685 7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.802 22.350 7.098 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.976 23.550 7.444 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.494 22.808 8.988 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.681 21.797 7.535 1.00 0.00 H new ATOM 551 N ALA A 42 -3.147 20.309 10.584 1.00 0.00 N ATOM 552 CA ALA A 42 -4.049 19.330 11.168 1.00 0.00 C ATOM 553 C ALA A 42 -4.790 19.965 12.346 1.00 0.00 C ATOM 554 O ALA A 42 -5.961 19.668 12.580 1.00 0.00 O ATOM 555 CB ALA A 42 -3.256 18.088 11.580 1.00 0.00 C ATOM 0 H ALA A 42 -2.167 20.026 10.559 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.796 19.014 10.440 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.932 17.354 12.018 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.772 17.658 10.703 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.499 18.366 12.313 1.00 0.00 H new ATOM 561 N ALA A 43 -4.079 20.828 13.056 1.00 0.00 N ATOM 562 CA ALA A 43 -4.655 21.508 14.203 1.00 0.00 C ATOM 563 C ALA A 43 -5.762 22.451 13.729 1.00 0.00 C ATOM 564 O ALA A 43 -6.731 22.689 14.449 1.00 0.00 O ATOM 565 CB ALA A 43 -3.552 22.242 14.969 1.00 0.00 C ATOM 0 H ALA A 43 -3.108 21.072 12.859 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.105 20.790 14.888 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.984 22.752 15.830 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.806 21.524 15.310 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.079 22.973 14.314 1.00 0.00 H new ATOM 571 N SER A 44 -5.582 22.963 12.520 1.00 0.00 N ATOM 572 CA SER A 44 -6.554 23.875 11.941 1.00 0.00 C ATOM 573 C SER A 44 -7.801 23.104 11.506 1.00 0.00 C ATOM 574 O SER A 44 -8.923 23.560 11.719 1.00 0.00 O ATOM 575 CB SER A 44 -5.958 24.634 10.754 1.00 0.00 C ATOM 576 OG SER A 44 -4.747 25.302 11.100 1.00 0.00 O ATOM 0 H SER A 44 -4.777 22.764 11.926 1.00 0.00 H new ATOM 0 HA SER A 44 -6.833 24.605 12.701 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.767 23.938 9.937 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.682 25.362 10.389 1.00 0.00 H new ATOM 0 HG SER A 44 -4.070 24.641 11.355 1.00 0.00 H new ATOM 582 N SER A 45 -7.562 21.948 10.904 1.00 0.00 N ATOM 583 CA SER A 45 -8.653 21.108 10.437 1.00 0.00 C ATOM 584 C SER A 45 -9.522 20.674 11.619 1.00 0.00 C ATOM 585 O SER A 45 -10.736 20.872 11.606 1.00 0.00 O ATOM 586 CB SER A 45 -8.123 19.883 9.689 1.00 0.00 C ATOM 587 OG SER A 45 -7.777 20.189 8.341 1.00 0.00 O ATOM 0 H SER A 45 -6.630 21.573 10.729 1.00 0.00 H new ATOM 0 HA SER A 45 -9.260 21.689 9.743 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.248 19.492 10.208 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.878 19.097 9.700 1.00 0.00 H new ATOM 0 HG SER A 45 -7.441 19.382 7.898 1.00 0.00 H new ATOM 593 N ILE A 46 -8.867 20.091 12.611 1.00 0.00 N ATOM 594 CA ILE A 46 -9.565 19.627 13.798 1.00 0.00 C ATOM 595 C ILE A 46 -10.154 20.828 14.540 1.00 0.00 C ATOM 596 O ILE A 46 -11.223 20.728 15.140 1.00 0.00 O ATOM 597 CB ILE A 46 -8.641 18.764 14.660 1.00 0.00 C ATOM 598 CG1 ILE A 46 -7.515 19.604 15.267 1.00 0.00 C ATOM 599 CG2 ILE A 46 -8.103 17.573 13.865 1.00 0.00 C ATOM 600 CD1 ILE A 46 -7.679 19.729 16.783 1.00 0.00 C ATOM 0 H ILE A 46 -7.860 19.929 12.618 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.399 18.982 13.522 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.224 18.361 15.488 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.552 19.147 15.038 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.512 20.596 14.815 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.449 16.976 14.501 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.935 16.958 13.522 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.540 17.934 13.004 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.866 20.331 17.189 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.632 20.208 17.008 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.657 18.737 17.234 1.00 0.00 H new ATOM 612 N ALA A 47 -9.431 21.936 14.475 1.00 0.00 N ATOM 613 CA ALA A 47 -9.869 23.156 15.133 1.00 0.00 C ATOM 614 C ALA A 47 -11.219 23.586 14.554 1.00 0.00 C ATOM 615 O ALA A 47 -12.136 23.928 15.298 1.00 0.00 O ATOM 616 CB ALA A 47 -8.796 24.235 14.975 1.00 0.00 C ATOM 0 H ALA A 47 -8.544 22.015 13.977 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.007 22.988 16.201 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.124 25.150 15.468 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.866 23.892 15.428 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.632 24.433 13.916 1.00 0.00 H new ATOM 622 N ALA A 48 -11.297 23.554 13.232 1.00 0.00 N ATOM 623 CA ALA A 48 -12.519 23.936 12.545 1.00 0.00 C ATOM 624 C ALA A 48 -13.598 22.886 12.812 1.00 0.00 C ATOM 625 O ALA A 48 -14.653 23.199 13.362 1.00 0.00 O ATOM 626 CB ALA A 48 -12.232 24.113 11.053 1.00 0.00 C ATOM 0 H ALA A 48 -10.534 23.269 12.618 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.889 24.890 12.920 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.149 24.400 10.538 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.481 24.891 10.917 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.862 23.175 10.640 1.00 0.00 H new ATOM 632 N LYS A 49 -13.298 21.660 12.408 1.00 0.00 N ATOM 633 CA LYS A 49 -14.230 20.561 12.596 1.00 0.00 C ATOM 634 C LYS A 49 -15.360 20.675 11.570 1.00 0.00 C ATOM 635 O LYS A 49 -15.377 19.948 10.578 1.00 0.00 O ATOM 636 CB LYS A 49 -14.718 20.514 14.045 1.00 0.00 C ATOM 637 CG LYS A 49 -14.757 19.076 14.565 1.00 0.00 C ATOM 638 CD LYS A 49 -13.692 18.852 15.641 1.00 0.00 C ATOM 639 CE LYS A 49 -12.780 17.680 15.275 1.00 0.00 C ATOM 640 NZ LYS A 49 -11.837 17.392 16.378 1.00 0.00 N ATOM 0 H LYS A 49 -12.423 21.404 11.951 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.734 19.607 12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.060 21.114 14.674 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.712 20.956 14.112 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.744 18.860 14.975 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.596 18.383 13.739 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.096 19.757 15.762 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.174 18.657 16.599 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.382 16.796 15.063 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.225 17.913 14.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.226 16.594 16.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.251 18.231 16.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.371 17.148 17.237 1.00 0.00 H new ATOM 823 N ALA A 64 -10.315 9.317 -4.302 1.00 0.00 N ATOM 824 CA ALA A 64 -10.987 10.241 -5.201 1.00 0.00 C ATOM 825 C ALA A 64 -10.060 11.421 -5.498 1.00 0.00 C ATOM 826 O ALA A 64 -9.916 11.828 -6.650 1.00 0.00 O ATOM 827 CB ALA A 64 -12.314 10.683 -4.582 1.00 0.00 C ATOM 0 HA ALA A 64 -11.217 9.755 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.817 11.376 -5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.947 9.811 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.124 11.178 -3.629 1.00 0.00 H new ATOM 833 N GLY A 65 -9.455 11.938 -4.439 1.00 0.00 N ATOM 834 CA GLY A 65 -8.546 13.064 -4.571 1.00 0.00 C ATOM 835 C GLY A 65 -7.192 12.613 -5.123 1.00 0.00 C ATOM 836 O GLY A 65 -6.992 11.431 -5.399 1.00 0.00 O ATOM 0 H GLY A 65 -9.576 11.598 -3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.982 13.812 -5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.407 13.540 -3.600 1.00 0.00 H new ATOM 840 N SER A 66 -6.297 13.579 -5.268 1.00 0.00 N ATOM 841 CA SER A 66 -4.967 13.297 -5.782 1.00 0.00 C ATOM 842 C SER A 66 -4.401 12.045 -5.109 1.00 0.00 C ATOM 843 O SER A 66 -3.605 11.322 -5.705 1.00 0.00 O ATOM 844 CB SER A 66 -4.029 14.486 -5.567 1.00 0.00 C ATOM 845 OG SER A 66 -3.209 14.732 -6.706 1.00 0.00 O ATOM 0 H SER A 66 -6.467 14.558 -5.039 1.00 0.00 H new ATOM 0 HA SER A 66 -5.045 13.121 -6.855 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.617 15.376 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.397 14.297 -4.699 1.00 0.00 H new ATOM 0 HG SER A 66 -2.626 15.500 -6.530 1.00 0.00 H new ATOM 851 N LEU A 67 -4.833 11.829 -3.875 1.00 0.00 N ATOM 852 CA LEU A 67 -4.379 10.678 -3.114 1.00 0.00 C ATOM 853 C LEU A 67 -4.601 9.408 -3.938 1.00 0.00 C ATOM 854 O LEU A 67 -3.671 8.632 -4.152 1.00 0.00 O ATOM 855 CB LEU A 67 -5.051 10.645 -1.740 1.00 0.00 C ATOM 856 CG LEU A 67 -4.739 11.822 -0.813 1.00 0.00 C ATOM 857 CD1 LEU A 67 -6.026 12.465 -0.292 1.00 0.00 C ATOM 858 CD2 LEU A 67 -3.812 11.392 0.326 1.00 0.00 C ATOM 0 H LEU A 67 -5.493 12.432 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.309 10.749 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.130 10.599 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.758 9.724 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.210 12.581 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.776 13.299 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.617 12.829 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.603 11.726 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.606 12.247 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.292 10.606 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.876 11.016 -0.088 1.00 0.00 H new ATOM 870 N VAL A 68 -5.839 9.234 -4.377 1.00 0.00 N ATOM 871 CA VAL A 68 -6.196 8.072 -5.172 1.00 0.00 C ATOM 872 C VAL A 68 -5.102 7.816 -6.211 1.00 0.00 C ATOM 873 O VAL A 68 -4.822 6.668 -6.553 1.00 0.00 O ATOM 874 CB VAL A 68 -7.579 8.268 -5.796 1.00 0.00 C ATOM 875 CG1 VAL A 68 -7.512 9.223 -6.989 1.00 0.00 C ATOM 876 CG2 VAL A 68 -8.193 6.926 -6.200 1.00 0.00 C ATOM 0 H VAL A 68 -6.608 9.879 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.262 7.184 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.226 8.719 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.508 9.345 -7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.137 10.192 -6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.842 8.814 -7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.176 7.093 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.547 6.435 -6.928 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.294 6.292 -5.319 1.00 0.00 H new ATOM 886 N ALA A 69 -4.514 8.904 -6.685 1.00 0.00 N ATOM 887 CA ALA A 69 -3.458 8.812 -7.679 1.00 0.00 C ATOM 888 C ALA A 69 -2.324 7.943 -7.131 1.00 0.00 C ATOM 889 O ALA A 69 -1.934 6.958 -7.757 1.00 0.00 O ATOM 890 CB ALA A 69 -2.986 10.218 -8.054 1.00 0.00 C ATOM 0 H ALA A 69 -4.749 9.855 -6.399 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.827 8.339 -8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.194 10.149 -8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.822 10.785 -8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.606 10.723 -7.166 1.00 0.00 H new ATOM 896 N ILE A 70 -1.825 8.339 -5.969 1.00 0.00 N ATOM 897 CA ILE A 70 -0.743 7.609 -5.331 1.00 0.00 C ATOM 898 C ILE A 70 -1.267 6.260 -4.836 1.00 0.00 C ATOM 899 O ILE A 70 -0.500 5.311 -4.681 1.00 0.00 O ATOM 900 CB ILE A 70 -0.098 8.458 -4.234 1.00 0.00 C ATOM 901 CG1 ILE A 70 0.537 9.721 -4.820 1.00 0.00 C ATOM 902 CG2 ILE A 70 0.905 7.636 -3.423 1.00 0.00 C ATOM 903 CD1 ILE A 70 0.313 10.924 -3.902 1.00 0.00 C ATOM 0 H ILE A 70 -2.150 9.156 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 70 0.051 7.400 -6.048 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.881 8.780 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.606 9.562 -4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.111 9.924 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.349 8.263 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.393 6.794 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.689 7.264 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.774 11.808 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.757 11.095 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.762 10.727 -2.928 1.00 0.00 H new ATOM 915 N LEU A 71 -2.571 6.217 -4.600 1.00 0.00 N ATOM 916 CA LEU A 71 -3.206 5.000 -4.126 1.00 0.00 C ATOM 917 C LEU A 71 -2.932 3.867 -5.117 1.00 0.00 C ATOM 918 O LEU A 71 -2.295 2.874 -4.769 1.00 0.00 O ATOM 919 CB LEU A 71 -4.694 5.240 -3.862 1.00 0.00 C ATOM 920 CG LEU A 71 -5.363 4.282 -2.874 1.00 0.00 C ATOM 921 CD1 LEU A 71 -6.405 5.012 -2.023 1.00 0.00 C ATOM 922 CD2 LEU A 71 -5.959 3.074 -3.599 1.00 0.00 C ATOM 0 H LEU A 71 -3.204 7.006 -4.729 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.781 4.696 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.817 6.257 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.225 5.180 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.599 3.904 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.866 4.309 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.921 5.811 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.171 5.437 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.428 2.409 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.706 3.413 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.168 2.538 -4.124 1.00 0.00 H new ATOM 934 N GLN A 72 -3.427 4.054 -6.331 1.00 0.00 N ATOM 935 CA GLN A 72 -3.243 3.059 -7.375 1.00 0.00 C ATOM 936 C GLN A 72 -1.758 2.909 -7.709 1.00 0.00 C ATOM 937 O GLN A 72 -1.253 1.792 -7.822 1.00 0.00 O ATOM 938 CB GLN A 72 -4.052 3.419 -8.623 1.00 0.00 C ATOM 939 CG GLN A 72 -3.622 4.777 -9.183 1.00 0.00 C ATOM 940 CD GLN A 72 -2.426 4.628 -10.125 1.00 0.00 C ATOM 941 OE1 GLN A 72 -1.844 3.565 -10.268 1.00 0.00 O ATOM 942 NE2 GLN A 72 -2.092 5.749 -10.757 1.00 0.00 N ATOM 0 H GLN A 72 -3.955 4.879 -6.616 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.611 2.101 -7.007 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.917 2.649 -9.383 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.114 3.442 -8.378 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.455 5.234 -9.717 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.362 5.447 -8.363 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.622 6.605 -10.592 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.306 5.753 -11.407 1.00 0.00 H new ATOM 951 N SER A 73 -1.099 4.048 -7.858 1.00 0.00 N ATOM 952 CA SER A 73 0.319 4.057 -8.177 1.00 0.00 C ATOM 953 C SER A 73 1.087 3.198 -7.170 1.00 0.00 C ATOM 954 O SER A 73 1.548 2.107 -7.503 1.00 0.00 O ATOM 955 CB SER A 73 0.872 5.484 -8.188 1.00 0.00 C ATOM 956 OG SER A 73 1.428 5.830 -9.454 1.00 0.00 O ATOM 0 H SER A 73 -1.521 4.972 -7.764 1.00 0.00 H new ATOM 0 HA SER A 73 0.448 3.639 -9.175 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.075 6.184 -7.938 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.636 5.583 -7.417 1.00 0.00 H new ATOM 0 HG SER A 73 1.769 6.748 -9.422 1.00 0.00 H new ATOM 962 N VAL A 74 1.201 3.722 -5.959 1.00 0.00 N ATOM 963 CA VAL A 74 1.905 3.017 -4.901 1.00 0.00 C ATOM 964 C VAL A 74 1.280 1.633 -4.713 1.00 0.00 C ATOM 965 O VAL A 74 1.941 0.708 -4.243 1.00 0.00 O ATOM 966 CB VAL A 74 1.901 3.854 -3.621 1.00 0.00 C ATOM 967 CG1 VAL A 74 2.402 3.036 -2.429 1.00 0.00 C ATOM 968 CG2 VAL A 74 2.727 5.130 -3.797 1.00 0.00 C ATOM 0 H VAL A 74 0.818 4.627 -5.686 1.00 0.00 H new ATOM 0 HA VAL A 74 2.950 2.868 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 74 0.871 4.148 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.389 3.655 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.754 2.172 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.420 2.698 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.707 5.707 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.757 4.866 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.306 5.727 -4.606 1.00 0.00 H new ATOM 978 N GLY A 75 0.014 1.535 -5.090 1.00 0.00 N ATOM 979 CA GLY A 75 -0.708 0.280 -4.968 1.00 0.00 C ATOM 980 C GLY A 75 -0.024 -0.826 -5.776 1.00 0.00 C ATOM 981 O GLY A 75 0.555 -1.748 -5.205 1.00 0.00 O ATOM 0 H GLY A 75 -0.531 2.304 -5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.763 -0.012 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.732 0.410 -5.317 1.00 0.00 H new ATOM 985 N ALA A 76 -0.116 -0.696 -7.091 1.00 0.00 N ATOM 986 CA ALA A 76 0.487 -1.673 -7.983 1.00 0.00 C ATOM 987 C ALA A 76 2.009 -1.535 -7.929 1.00 0.00 C ATOM 988 O ALA A 76 2.716 -2.514 -7.691 1.00 0.00 O ATOM 989 CB ALA A 76 -0.066 -1.482 -9.397 1.00 0.00 C ATOM 0 H ALA A 76 -0.598 0.070 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 76 0.237 -2.686 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.386 -2.214 -10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.147 -1.619 -9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.169 -0.477 -9.747 1.00 0.00 H new ATOM 995 N ALA A 77 2.470 -0.314 -8.153 1.00 0.00 N ATOM 996 CA ALA A 77 3.896 -0.036 -8.132 1.00 0.00 C ATOM 997 C ALA A 77 4.509 -0.630 -6.862 1.00 0.00 C ATOM 998 O ALA A 77 5.502 -1.352 -6.927 1.00 0.00 O ATOM 999 CB ALA A 77 4.124 1.473 -8.239 1.00 0.00 C ATOM 0 H ALA A 77 1.881 0.495 -8.350 1.00 0.00 H new ATOM 0 HA ALA A 77 4.390 -0.501 -8.985 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.194 1.681 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.696 1.840 -9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.644 1.974 -7.398 1.00 0.00 H new ATOM 1005 N GLY A 78 3.890 -0.303 -5.737 1.00 0.00 N ATOM 1006 CA GLY A 78 4.362 -0.795 -4.453 1.00 0.00 C ATOM 1007 C GLY A 78 4.287 -2.321 -4.390 1.00 0.00 C ATOM 1008 O GLY A 78 5.312 -3.000 -4.436 1.00 0.00 O ATOM 0 H GLY A 78 3.066 0.296 -5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.390 -0.471 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.762 -0.364 -3.652 1.00 0.00 H new ATOM 1012 N LEU A 79 3.063 -2.818 -4.285 1.00 0.00 N ATOM 1013 CA LEU A 79 2.840 -4.252 -4.215 1.00 0.00 C ATOM 1014 C LEU A 79 3.803 -4.960 -5.170 1.00 0.00 C ATOM 1015 O LEU A 79 4.259 -6.068 -4.888 1.00 0.00 O ATOM 1016 CB LEU A 79 1.367 -4.578 -4.472 1.00 0.00 C ATOM 1017 CG LEU A 79 0.879 -5.931 -3.949 1.00 0.00 C ATOM 1018 CD1 LEU A 79 0.041 -5.758 -2.681 1.00 0.00 C ATOM 1019 CD2 LEU A 79 0.124 -6.698 -5.036 1.00 0.00 C ATOM 0 H LEU A 79 2.215 -2.252 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 79 3.054 -4.623 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.758 -3.795 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.189 -4.540 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 79 1.750 -6.529 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.293 -6.734 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.644 -5.282 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.826 -5.135 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.212 -7.656 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.739 -6.116 -5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.785 -6.869 -5.886 1.00 0.00 H new ATOM 1031 N SER A 80 4.084 -4.293 -6.279 1.00 0.00 N ATOM 1032 CA SER A 80 4.984 -4.845 -7.277 1.00 0.00 C ATOM 1033 C SER A 80 6.394 -4.974 -6.696 1.00 0.00 C ATOM 1034 O SER A 80 6.811 -6.063 -6.306 1.00 0.00 O ATOM 1035 CB SER A 80 5.007 -3.979 -8.538 1.00 0.00 C ATOM 1036 OG SER A 80 4.045 -4.407 -9.497 1.00 0.00 O ATOM 0 H SER A 80 3.704 -3.375 -6.509 1.00 0.00 H new ATOM 0 HA SER A 80 4.620 -5.834 -7.555 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.813 -2.941 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.002 -4.012 -8.983 1.00 0.00 H new ATOM 0 HG SER A 80 3.187 -3.969 -9.317 1.00 0.00 H new ATOM 1042 N VAL A 81 7.088 -3.846 -6.656 1.00 0.00 N ATOM 1043 CA VAL A 81 8.442 -3.819 -6.129 1.00 0.00 C ATOM 1044 C VAL A 81 8.508 -4.671 -4.860 1.00 0.00 C ATOM 1045 O VAL A 81 9.555 -5.230 -4.537 1.00 0.00 O ATOM 1046 CB VAL A 81 8.886 -2.372 -5.901 1.00 0.00 C ATOM 1047 CG1 VAL A 81 10.223 -2.320 -5.159 1.00 0.00 C ATOM 1048 CG2 VAL A 81 8.963 -1.608 -7.224 1.00 0.00 C ATOM 0 H VAL A 81 6.738 -2.944 -6.980 1.00 0.00 H new ATOM 0 HA VAL A 81 9.140 -4.250 -6.847 1.00 0.00 H new ATOM 0 HB VAL A 81 8.137 -1.885 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.516 -1.281 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.121 -2.811 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.985 -2.831 -5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.281 -0.583 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.682 -2.094 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.982 -1.602 -7.698 1.00 0.00 H new ATOM 1058 N THR A 82 7.376 -4.744 -4.175 1.00 0.00 N ATOM 1059 CA THR A 82 7.292 -5.519 -2.949 1.00 0.00 C ATOM 1060 C THR A 82 7.515 -7.004 -3.240 1.00 0.00 C ATOM 1061 O THR A 82 8.626 -7.510 -3.089 1.00 0.00 O ATOM 1062 CB THR A 82 5.941 -5.224 -2.294 1.00 0.00 C ATOM 1063 OG1 THR A 82 6.047 -3.866 -1.876 1.00 0.00 O ATOM 1064 CG2 THR A 82 5.739 -6.000 -0.992 1.00 0.00 C ATOM 0 H THR A 82 6.509 -4.279 -4.446 1.00 0.00 H new ATOM 0 HA THR A 82 8.078 -5.236 -2.248 1.00 0.00 H new ATOM 0 HB THR A 82 5.139 -5.470 -2.990 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.940 -3.276 -2.651 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.765 -5.754 -0.569 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.786 -7.070 -1.195 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.521 -5.730 -0.283 1.00 0.00 H new ATOM 1072 N SER A 83 6.441 -7.661 -3.653 1.00 0.00 N ATOM 1073 CA SER A 83 6.505 -9.078 -3.967 1.00 0.00 C ATOM 1074 C SER A 83 7.766 -9.377 -4.780 1.00 0.00 C ATOM 1075 O SER A 83 8.442 -10.376 -4.539 1.00 0.00 O ATOM 1076 CB SER A 83 5.260 -9.529 -4.733 1.00 0.00 C ATOM 1077 OG SER A 83 5.169 -8.912 -6.015 1.00 0.00 O ATOM 0 H SER A 83 5.521 -7.238 -3.777 1.00 0.00 H new ATOM 0 HA SER A 83 6.544 -9.635 -3.031 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.281 -10.612 -4.853 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.370 -9.289 -4.151 1.00 0.00 H new ATOM 0 HG SER A 83 4.872 -7.984 -5.911 1.00 0.00 H new ATOM 1083 N LYS A 84 8.045 -8.493 -5.727 1.00 0.00 N ATOM 1084 CA LYS A 84 9.213 -8.650 -6.577 1.00 0.00 C ATOM 1085 C LYS A 84 10.440 -8.925 -5.705 1.00 0.00 C ATOM 1086 O LYS A 84 11.088 -9.960 -5.848 1.00 0.00 O ATOM 1087 CB LYS A 84 9.372 -7.440 -7.499 1.00 0.00 C ATOM 1088 CG LYS A 84 10.043 -7.837 -8.815 1.00 0.00 C ATOM 1089 CD LYS A 84 10.358 -6.603 -9.663 1.00 0.00 C ATOM 1090 CE LYS A 84 10.844 -7.006 -11.057 1.00 0.00 C ATOM 1091 NZ LYS A 84 12.298 -7.282 -11.040 1.00 0.00 N ATOM 0 H LYS A 84 7.482 -7.666 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 84 9.091 -9.509 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.395 -7.003 -7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.966 -6.674 -7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.962 -8.385 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.390 -8.509 -9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.468 -5.980 -9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.120 -6.002 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.304 -7.890 -11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.628 -6.209 -11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.611 -7.554 -11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.810 -6.429 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.496 -8.058 -10.376 1.00 0.00 H new ATOM 1105 N VAL A 85 10.721 -7.979 -4.821 1.00 0.00 N ATOM 1106 CA VAL A 85 11.859 -8.105 -3.926 1.00 0.00 C ATOM 1107 C VAL A 85 11.695 -9.366 -3.075 1.00 0.00 C ATOM 1108 O VAL A 85 12.681 -9.945 -2.620 1.00 0.00 O ATOM 1109 CB VAL A 85 12.009 -6.834 -3.087 1.00 0.00 C ATOM 1110 CG1 VAL A 85 12.067 -5.592 -3.979 1.00 0.00 C ATOM 1111 CG2 VAL A 85 10.881 -6.719 -2.060 1.00 0.00 C ATOM 0 H VAL A 85 10.180 -7.122 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 85 12.782 -8.214 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 85 12.951 -6.901 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.174 -4.703 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.920 -5.668 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.149 -5.519 -4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.011 -5.807 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.921 -6.686 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.906 -7.582 -1.394 1.00 0.00 H new ATOM 1121 N ILE A 86 10.443 -9.756 -2.887 1.00 0.00 N ATOM 1122 CA ILE A 86 10.138 -10.938 -2.099 1.00 0.00 C ATOM 1123 C ILE A 86 10.428 -12.189 -2.931 1.00 0.00 C ATOM 1124 O ILE A 86 10.763 -13.239 -2.384 1.00 0.00 O ATOM 1125 CB ILE A 86 8.705 -10.872 -1.567 1.00 0.00 C ATOM 1126 CG1 ILE A 86 8.508 -9.647 -0.672 1.00 0.00 C ATOM 1127 CG2 ILE A 86 8.325 -12.171 -0.853 1.00 0.00 C ATOM 1128 CD1 ILE A 86 7.152 -9.696 0.034 1.00 0.00 C ATOM 0 H ILE A 86 9.628 -9.274 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 86 10.779 -10.985 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 86 8.030 -10.762 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.306 -9.601 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.577 -8.739 -1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.302 -12.098 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.401 -13.005 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.002 -12.337 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.038 -8.814 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.355 -9.717 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.096 -10.592 0.652 1.00 0.00 H new ATOM 1140 N GLY A 87 10.288 -12.036 -4.240 1.00 0.00 N ATOM 1141 CA GLY A 87 10.531 -13.140 -5.152 1.00 0.00 C ATOM 1142 C GLY A 87 9.530 -14.274 -4.920 1.00 0.00 C ATOM 1143 O GLY A 87 9.923 -15.407 -4.644 1.00 0.00 O ATOM 0 H GLY A 87 10.009 -11.164 -4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.456 -12.789 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.546 -13.513 -5.015 1.00 0.00 H new ATOM 1147 N GLY A 88 8.257 -13.930 -5.040 1.00 0.00 N ATOM 1148 CA GLY A 88 7.197 -14.905 -4.846 1.00 0.00 C ATOM 1149 C GLY A 88 7.543 -15.873 -3.713 1.00 0.00 C ATOM 1150 O GLY A 88 7.750 -17.062 -3.949 1.00 0.00 O ATOM 0 H GLY A 88 7.935 -12.990 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.263 -14.391 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.037 -15.462 -5.769 1.00 0.00 H new ATOM 1154 N PHE A 89 7.594 -15.328 -2.506 1.00 0.00 N ATOM 1155 CA PHE A 89 7.911 -16.129 -1.336 1.00 0.00 C ATOM 1156 C PHE A 89 7.045 -15.722 -0.142 1.00 0.00 C ATOM 1157 O PHE A 89 6.542 -14.601 -0.089 1.00 0.00 O ATOM 1158 CB PHE A 89 9.380 -15.865 -0.999 1.00 0.00 C ATOM 1159 CG PHE A 89 10.255 -17.120 -1.006 1.00 0.00 C ATOM 1160 CD1 PHE A 89 10.244 -17.951 -2.083 1.00 0.00 C ATOM 1161 CD2 PHE A 89 11.044 -17.405 0.064 1.00 0.00 C ATOM 1162 CE1 PHE A 89 11.056 -19.116 -2.090 1.00 0.00 C ATOM 1163 CE2 PHE A 89 11.856 -18.570 0.057 1.00 0.00 C ATOM 1164 CZ PHE A 89 11.845 -19.401 -1.020 1.00 0.00 C ATOM 0 H PHE A 89 7.421 -14.341 -2.313 1.00 0.00 H new ATOM 0 HA PHE A 89 7.724 -17.182 -1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.783 -15.149 -1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 89 9.438 -15.399 -0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.617 -17.725 -2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 89 11.053 -16.745 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 89 11.047 -19.776 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 89 12.483 -18.796 0.907 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.463 -20.287 -1.025 1.00 0.00 H new ATOM 1174 N ALA A 90 6.899 -16.655 0.787 1.00 0.00 N ATOM 1175 CA ALA A 90 6.102 -16.408 1.977 1.00 0.00 C ATOM 1176 C ALA A 90 5.990 -17.700 2.788 1.00 0.00 C ATOM 1177 O ALA A 90 5.021 -18.444 2.646 1.00 0.00 O ATOM 1178 CB ALA A 90 4.735 -15.854 1.570 1.00 0.00 C ATOM 0 H ALA A 90 7.319 -17.583 0.740 1.00 0.00 H new ATOM 0 HA ALA A 90 6.580 -15.662 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.137 -15.669 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.869 -14.921 1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.224 -16.577 0.935 1.00 0.00 H new ATOM 1184 N GLY A 91 6.995 -17.928 3.621 1.00 0.00 N ATOM 1185 CA GLY A 91 7.021 -19.117 4.454 1.00 0.00 C ATOM 1186 C GLY A 91 8.388 -19.291 5.119 1.00 0.00 C ATOM 1187 O GLY A 91 8.690 -18.625 6.109 1.00 0.00 O ATOM 0 H GLY A 91 7.797 -17.309 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.247 -19.047 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.793 -19.994 3.849 1.00 0.00 H new ATOM 1191 N THR A 92 9.178 -20.189 4.549 1.00 0.00 N ATOM 1192 CA THR A 92 10.506 -20.458 5.074 1.00 0.00 C ATOM 1193 C THR A 92 11.225 -19.149 5.405 1.00 0.00 C ATOM 1194 O THR A 92 11.807 -19.010 6.479 1.00 0.00 O ATOM 1195 CB THR A 92 11.252 -21.320 4.054 1.00 0.00 C ATOM 1196 OG1 THR A 92 10.728 -22.630 4.256 1.00 0.00 O ATOM 1197 CG2 THR A 92 12.740 -21.459 4.381 1.00 0.00 C ATOM 0 H THR A 92 8.924 -20.740 3.729 1.00 0.00 H new ATOM 0 HA THR A 92 10.455 -21.010 6.013 1.00 0.00 H new ATOM 0 HB THR A 92 11.138 -20.886 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.157 -23.253 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.222 -22.080 3.626 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.204 -20.473 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.855 -21.923 5.360 1.00 0.00 H new