USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 684 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 46 GLN :FLIP amide:sc= -0.802! C(o=-4.4!,f=0.26!) USER MOD Set 1.2: A 76 TYR OH : rot -42:sc= 1.07 USER MOD Single : A 9 SER OG : rot -44:sc= 0.0345 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0507 USER MOD Single : A 26 HIS : no HE2:sc= -4.91 X(o=-4.9,f=-4.5) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 80:sc= -2.91 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00312 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00398 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -43:sc= -1.17 USER MOD Single : A 92 SER OG : rot -51:sc= -0.15 USER MOD Single : A 93 ASN : amide:sc= -0.554 K(o=-0.55,f=-4.8!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0.192 K(o=0.19,f=-1.3!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.012 16.918 -4.938 1.00 0.00 N ATOM 67 CA LEU A 8 4.321 15.990 -4.058 1.00 0.00 C ATOM 68 C LEU A 8 5.281 14.871 -3.650 1.00 0.00 C ATOM 69 O LEU A 8 5.733 14.097 -4.493 1.00 0.00 O ATOM 70 CB LEU A 8 3.033 15.487 -4.714 1.00 0.00 C ATOM 71 CG LEU A 8 2.325 14.333 -4.002 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.636 14.816 -2.725 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.352 13.622 -4.945 1.00 0.00 C ATOM 0 HA LEU A 8 4.009 16.493 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.337 16.323 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.266 15.172 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 8 3.077 13.602 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.141 13.976 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.379 15.240 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.897 15.577 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.862 12.806 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.601 14.330 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.899 13.223 -5.799 1.00 0.00 H new ATOM 85 N SER A 9 5.564 14.819 -2.357 1.00 0.00 N ATOM 86 CA SER A 9 6.462 13.808 -1.827 1.00 0.00 C ATOM 87 C SER A 9 5.707 12.493 -1.622 1.00 0.00 C ATOM 88 O SER A 9 4.526 12.498 -1.279 1.00 0.00 O ATOM 89 CB SER A 9 7.094 14.267 -0.511 1.00 0.00 C ATOM 90 OG SER A 9 6.114 14.532 0.488 1.00 0.00 O ATOM 0 H SER A 9 5.187 15.461 -1.660 1.00 0.00 H new ATOM 0 HA SER A 9 7.264 13.651 -2.549 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.780 13.500 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.685 15.166 -0.687 1.00 0.00 H new ATOM 0 HG SER A 9 5.373 15.038 0.093 1.00 0.00 H new ATOM 96 N PRO A 10 6.438 11.369 -1.848 1.00 0.00 N ATOM 97 CA PRO A 10 5.850 10.049 -1.692 1.00 0.00 C ATOM 98 C PRO A 10 5.691 9.691 -0.213 1.00 0.00 C ATOM 99 O PRO A 10 6.182 10.406 0.659 1.00 0.00 O ATOM 100 CB PRO A 10 6.787 9.110 -2.433 1.00 0.00 C ATOM 101 CG PRO A 10 8.101 9.862 -2.578 1.00 0.00 C ATOM 102 CD PRO A 10 7.839 11.324 -2.255 1.00 0.00 C ATOM 0 HA PRO A 10 4.841 9.987 -2.101 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.927 8.181 -1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.381 8.842 -3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.853 9.451 -1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.490 9.759 -3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.494 11.677 -1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.020 11.960 -3.122 1.00 0.00 H new ATOM 110 N PRO A 11 4.984 8.555 0.030 1.00 0.00 N ATOM 111 CA PRO A 11 4.755 8.093 1.389 1.00 0.00 C ATOM 112 C PRO A 11 6.022 7.472 1.979 1.00 0.00 C ATOM 113 O PRO A 11 7.038 7.358 1.295 1.00 0.00 O ATOM 114 CB PRO A 11 3.605 7.104 1.279 1.00 0.00 C ATOM 115 CG PRO A 11 3.541 6.700 -0.185 1.00 0.00 C ATOM 116 CD PRO A 11 4.388 7.683 -0.977 1.00 0.00 C ATOM 0 HA PRO A 11 4.503 8.904 2.072 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.774 6.236 1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.667 7.558 1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.912 5.684 -0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.510 6.712 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.153 7.168 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.781 8.250 -1.682 1.00 0.00 H new ATOM 124 N ARG A 12 5.922 7.087 3.243 1.00 0.00 N ATOM 125 CA ARG A 12 7.048 6.481 3.932 1.00 0.00 C ATOM 126 C ARG A 12 6.552 5.525 5.019 1.00 0.00 C ATOM 127 O ARG A 12 5.353 5.448 5.284 1.00 0.00 O ATOM 128 CB ARG A 12 7.942 7.547 4.569 1.00 0.00 C ATOM 129 CG ARG A 12 7.667 8.925 3.965 1.00 0.00 C ATOM 130 CD ARG A 12 8.535 9.997 4.628 1.00 0.00 C ATOM 131 NE ARG A 12 8.352 11.294 3.938 1.00 0.00 N ATOM 132 CZ ARG A 12 9.044 12.404 4.231 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.968 12.382 5.201 1.00 0.00 N ATOM 134 NH2 ARG A 12 8.811 13.536 3.553 1.00 0.00 N ATOM 0 H ARG A 12 5.078 7.183 3.808 1.00 0.00 H new ATOM 0 HA ARG A 12 7.630 5.928 3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.769 7.576 5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.989 7.284 4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.866 8.903 2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.614 9.177 4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.267 10.094 5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.583 9.701 4.592 1.00 0.00 H new ATOM 0 HE ARG A 12 7.656 11.346 3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.145 11.520 5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.494 13.227 5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.108 13.553 2.815 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.337 14.381 3.775 1.00 0.00 H new ATOM 148 N GLY A 13 7.500 4.821 5.620 1.00 0.00 N ATOM 149 CA GLY A 13 7.175 3.873 6.672 1.00 0.00 C ATOM 150 C GLY A 13 6.083 2.902 6.218 1.00 0.00 C ATOM 151 O GLY A 13 5.164 2.597 6.976 1.00 0.00 O ATOM 0 H GLY A 13 8.493 4.888 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.069 3.315 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.842 4.410 7.560 1.00 0.00 H new ATOM 155 N LEU A 14 6.220 2.444 4.982 1.00 0.00 N ATOM 156 CA LEU A 14 5.257 1.514 4.417 1.00 0.00 C ATOM 157 C LEU A 14 5.607 0.092 4.861 1.00 0.00 C ATOM 158 O LEU A 14 6.661 -0.432 4.502 1.00 0.00 O ATOM 159 CB LEU A 14 5.177 1.682 2.899 1.00 0.00 C ATOM 160 CG LEU A 14 3.839 1.314 2.253 1.00 0.00 C ATOM 161 CD1 LEU A 14 4.054 0.586 0.925 1.00 0.00 C ATOM 162 CD2 LEU A 14 2.969 0.505 3.217 1.00 0.00 C ATOM 0 H LEU A 14 6.984 2.700 4.356 1.00 0.00 H new ATOM 0 HA LEU A 14 4.256 1.728 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.402 2.720 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.957 1.072 2.444 1.00 0.00 H new ATOM 0 HG LEU A 14 3.301 2.236 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.088 0.336 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.606 1.231 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.621 -0.328 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.024 0.257 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.488 -0.413 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.774 1.094 4.113 1.00 0.00 H new ATOM 174 N VAL A 15 4.703 -0.492 5.634 1.00 0.00 N ATOM 175 CA VAL A 15 4.903 -1.843 6.130 1.00 0.00 C ATOM 176 C VAL A 15 3.617 -2.648 5.936 1.00 0.00 C ATOM 177 O VAL A 15 2.564 -2.082 5.647 1.00 0.00 O ATOM 178 CB VAL A 15 5.369 -1.802 7.587 1.00 0.00 C ATOM 179 CG1 VAL A 15 6.862 -1.479 7.676 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.543 -0.802 8.399 1.00 0.00 C ATOM 0 H VAL A 15 3.830 -0.054 5.929 1.00 0.00 H new ATOM 0 HA VAL A 15 5.689 -2.345 5.566 1.00 0.00 H new ATOM 0 HB VAL A 15 5.214 -2.792 8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.168 -1.456 8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.432 -2.244 7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.052 -0.507 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.895 -0.793 9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.652 0.194 7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.493 -1.094 8.376 1.00 0.00 H new ATOM 190 N ALA A 16 3.745 -3.956 6.103 1.00 0.00 N ATOM 191 CA ALA A 16 2.606 -4.845 5.950 1.00 0.00 C ATOM 192 C ALA A 16 2.607 -5.869 7.087 1.00 0.00 C ATOM 193 O ALA A 16 3.554 -6.640 7.232 1.00 0.00 O ATOM 194 CB ALA A 16 2.656 -5.506 4.571 1.00 0.00 C ATOM 0 H ALA A 16 4.620 -4.422 6.343 1.00 0.00 H new ATOM 0 HA ALA A 16 1.672 -4.286 6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.802 -6.173 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.624 -4.738 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.579 -6.078 4.475 1.00 0.00 H new ATOM 200 N VAL A 17 1.535 -5.843 7.865 1.00 0.00 N ATOM 201 CA VAL A 17 1.400 -6.759 8.985 1.00 0.00 C ATOM 202 C VAL A 17 0.280 -7.758 8.689 1.00 0.00 C ATOM 203 O VAL A 17 -0.894 -7.392 8.668 1.00 0.00 O ATOM 204 CB VAL A 17 1.174 -5.974 10.279 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.007 -4.996 10.130 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.950 -6.919 11.461 1.00 0.00 C ATOM 0 H VAL A 17 0.751 -5.202 7.742 1.00 0.00 H new ATOM 0 HA VAL A 17 2.318 -7.331 9.123 1.00 0.00 H new ATOM 0 HB VAL A 17 2.074 -5.393 10.480 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.132 -4.451 11.064 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.223 -4.291 9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.902 -5.548 9.893 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.792 -6.336 12.368 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.074 -7.539 11.271 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.825 -7.557 11.588 1.00 0.00 H new ATOM 216 N ARG A 18 0.683 -9.001 8.467 1.00 0.00 N ATOM 217 CA ARG A 18 -0.272 -10.056 8.173 1.00 0.00 C ATOM 218 C ARG A 18 -1.147 -10.335 9.396 1.00 0.00 C ATOM 219 O ARG A 18 -0.636 -10.607 10.481 1.00 0.00 O ATOM 220 CB ARG A 18 0.442 -11.345 7.759 1.00 0.00 C ATOM 221 CG ARG A 18 -0.330 -12.069 6.654 1.00 0.00 C ATOM 222 CD ARG A 18 -1.068 -13.288 7.210 1.00 0.00 C ATOM 223 NE ARG A 18 -1.902 -13.901 6.152 1.00 0.00 N ATOM 224 CZ ARG A 18 -3.057 -13.383 5.712 1.00 0.00 C ATOM 225 NH1 ARG A 18 -3.522 -12.241 6.235 1.00 0.00 N ATOM 226 NH2 ARG A 18 -3.747 -14.008 4.748 1.00 0.00 N ATOM 0 H ARG A 18 1.658 -9.301 8.485 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.896 -9.718 7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.448 -11.112 7.412 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.547 -12.000 8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.044 -11.385 6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.359 -12.383 5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.351 -14.017 7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.694 -12.992 8.052 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.577 -14.772 5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.997 -11.765 6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.401 -11.847 5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.393 -14.878 4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.626 -13.614 4.413 1.00 0.00 H new ATOM 240 N THR A 19 -2.452 -10.259 9.179 1.00 0.00 N ATOM 241 CA THR A 19 -3.404 -10.500 10.250 1.00 0.00 C ATOM 242 C THR A 19 -4.375 -11.617 9.860 1.00 0.00 C ATOM 243 O THR A 19 -4.344 -12.104 8.731 1.00 0.00 O ATOM 244 CB THR A 19 -4.099 -9.176 10.573 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.268 -9.190 9.758 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.311 -7.964 10.072 1.00 0.00 C ATOM 0 H THR A 19 -2.872 -10.034 8.277 1.00 0.00 H new ATOM 0 HA THR A 19 -2.903 -10.849 11.153 1.00 0.00 H new ATOM 0 HB THR A 19 -4.244 -9.095 11.650 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.779 -8.367 9.905 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.848 -7.050 10.327 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.327 -7.950 10.542 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.195 -8.027 8.990 1.00 0.00 H new ATOM 254 N PRO A 20 -5.235 -11.999 10.841 1.00 0.00 N ATOM 255 CA PRO A 20 -6.213 -13.049 10.611 1.00 0.00 C ATOM 256 C PRO A 20 -7.369 -12.542 9.748 1.00 0.00 C ATOM 257 O PRO A 20 -7.912 -13.286 8.932 1.00 0.00 O ATOM 258 CB PRO A 20 -6.655 -13.486 11.999 1.00 0.00 C ATOM 259 CG PRO A 20 -6.260 -12.356 12.936 1.00 0.00 C ATOM 260 CD PRO A 20 -5.299 -11.445 12.190 1.00 0.00 C ATOM 0 HA PRO A 20 -5.802 -13.891 10.054 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.730 -13.661 12.030 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.172 -14.420 12.287 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.141 -11.800 13.256 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.789 -12.753 13.835 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.657 -10.416 12.179 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.316 -11.435 12.661 1.00 0.00 H new ATOM 268 N ARG A 21 -7.712 -11.279 9.956 1.00 0.00 N ATOM 269 CA ARG A 21 -8.794 -10.664 9.206 1.00 0.00 C ATOM 270 C ARG A 21 -8.300 -10.224 7.827 1.00 0.00 C ATOM 271 O ARG A 21 -9.101 -9.893 6.953 1.00 0.00 O ATOM 272 CB ARG A 21 -9.358 -9.451 9.949 1.00 0.00 C ATOM 273 CG ARG A 21 -9.919 -9.856 11.314 1.00 0.00 C ATOM 274 CD ARG A 21 -11.135 -9.005 11.682 1.00 0.00 C ATOM 275 NE ARG A 21 -11.036 -8.563 13.091 1.00 0.00 N ATOM 276 CZ ARG A 21 -11.760 -7.566 13.618 1.00 0.00 C ATOM 277 NH1 ARG A 21 -12.640 -6.901 12.857 1.00 0.00 N ATOM 278 NH2 ARG A 21 -11.604 -7.233 14.907 1.00 0.00 N ATOM 0 H ARG A 21 -7.260 -10.665 10.633 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.584 -11.407 9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.575 -8.704 10.081 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.143 -8.987 9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.199 -10.909 11.298 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.148 -9.743 12.076 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.195 -8.138 11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.049 -9.580 11.536 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.376 -9.047 13.699 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.759 -7.154 11.876 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.191 -6.142 13.259 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.934 -7.738 15.487 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.155 -6.474 15.308 1.00 0.00 H new ATOM 292 N GLY A 22 -6.984 -10.234 7.673 1.00 0.00 N ATOM 293 CA GLY A 22 -6.375 -9.840 6.414 1.00 0.00 C ATOM 294 C GLY A 22 -4.934 -9.371 6.626 1.00 0.00 C ATOM 295 O GLY A 22 -4.207 -9.935 7.442 1.00 0.00 O ATOM 0 H GLY A 22 -6.323 -10.509 8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.389 -10.680 5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.958 -9.040 5.958 1.00 0.00 H new ATOM 299 N VAL A 23 -4.564 -8.342 5.877 1.00 0.00 N ATOM 300 CA VAL A 23 -3.224 -7.790 5.973 1.00 0.00 C ATOM 301 C VAL A 23 -3.313 -6.276 6.173 1.00 0.00 C ATOM 302 O VAL A 23 -3.862 -5.566 5.332 1.00 0.00 O ATOM 303 CB VAL A 23 -2.407 -8.183 4.740 1.00 0.00 C ATOM 304 CG1 VAL A 23 -1.137 -7.337 4.631 1.00 0.00 C ATOM 305 CG2 VAL A 23 -2.072 -9.676 4.757 1.00 0.00 C ATOM 0 H VAL A 23 -5.170 -7.876 5.201 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.703 -8.202 6.837 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.017 -7.987 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.575 -7.637 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.407 -6.284 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.523 -7.487 5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.491 -9.929 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.491 -9.908 5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.995 -10.256 4.764 1.00 0.00 H new ATOM 315 N LEU A 24 -2.765 -5.826 7.292 1.00 0.00 N ATOM 316 CA LEU A 24 -2.776 -4.409 7.614 1.00 0.00 C ATOM 317 C LEU A 24 -1.477 -3.769 7.122 1.00 0.00 C ATOM 318 O LEU A 24 -0.394 -4.317 7.325 1.00 0.00 O ATOM 319 CB LEU A 24 -3.037 -4.200 9.107 1.00 0.00 C ATOM 320 CG LEU A 24 -4.034 -3.096 9.465 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.051 -2.842 10.974 1.00 0.00 C ATOM 322 CD2 LEU A 24 -3.748 -1.820 8.672 1.00 0.00 C ATOM 0 H LEU A 24 -2.310 -6.418 7.987 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.595 -3.908 7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.398 -5.139 9.527 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.088 -3.977 9.594 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.032 -3.432 9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.768 -2.053 11.202 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.340 -3.756 11.494 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.058 -2.536 11.303 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.471 -1.052 8.946 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.742 -1.468 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.827 -2.029 7.605 1.00 0.00 H new ATOM 334 N LEU A 25 -1.626 -2.617 6.484 1.00 0.00 N ATOM 335 CA LEU A 25 -0.478 -1.896 5.961 1.00 0.00 C ATOM 336 C LEU A 25 -0.364 -0.545 6.670 1.00 0.00 C ATOM 337 O LEU A 25 -1.345 0.189 6.776 1.00 0.00 O ATOM 338 CB LEU A 25 -0.563 -1.786 4.438 1.00 0.00 C ATOM 339 CG LEU A 25 -0.859 -3.086 3.687 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.485 -2.799 2.320 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.397 -3.951 3.571 1.00 0.00 C ATOM 0 H LEU A 25 -2.525 -2.165 6.317 1.00 0.00 H new ATOM 0 HA LEU A 25 0.442 -2.443 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.338 -1.061 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.381 -1.383 4.069 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.589 -3.654 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.685 -3.740 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.419 -2.253 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.797 -2.200 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.158 -4.869 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.168 -3.403 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.761 -4.199 4.568 1.00 0.00 H new ATOM 353 N HIS A 26 0.843 -0.258 7.136 1.00 0.00 N ATOM 354 CA HIS A 26 1.098 0.992 7.832 1.00 0.00 C ATOM 355 C HIS A 26 2.077 1.842 7.018 1.00 0.00 C ATOM 356 O HIS A 26 3.157 1.376 6.658 1.00 0.00 O ATOM 357 CB HIS A 26 1.584 0.730 9.258 1.00 0.00 C ATOM 358 CG HIS A 26 0.890 -0.423 9.942 1.00 0.00 C ATOM 359 ND1 HIS A 26 1.454 -1.119 10.997 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.328 -0.993 9.712 1.00 0.00 C ATOM 361 CE1 HIS A 26 0.606 -2.064 11.375 1.00 0.00 C ATOM 362 NE2 HIS A 26 -0.497 -1.985 10.578 1.00 0.00 N ATOM 0 H HIS A 26 1.655 -0.869 7.045 1.00 0.00 H new ATOM 0 HA HIS A 26 0.170 1.557 7.925 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.656 0.533 9.235 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.438 1.632 9.852 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.367 -0.936 11.413 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.035 -0.689 8.954 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.761 -2.773 12.175 1.00 0.00 H new ATOM 370 N TRP A 27 1.663 3.072 6.753 1.00 0.00 N ATOM 371 CA TRP A 27 2.490 3.991 5.989 1.00 0.00 C ATOM 372 C TRP A 27 2.460 5.350 6.691 1.00 0.00 C ATOM 373 O TRP A 27 1.771 5.518 7.696 1.00 0.00 O ATOM 374 CB TRP A 27 2.029 4.061 4.532 1.00 0.00 C ATOM 375 CG TRP A 27 0.624 4.639 4.351 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.254 5.927 4.354 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.593 3.891 4.137 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.105 6.064 4.160 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.636 4.787 4.024 1.00 0.00 C ATOM 380 CE3 TRP A 27 -0.804 2.504 4.043 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -2.963 4.394 3.810 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.135 2.128 3.830 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.197 3.017 3.714 1.00 0.00 C ATOM 0 H TRP A 27 0.766 3.454 7.053 1.00 0.00 H new ATOM 0 HA TRP A 27 3.522 3.641 5.952 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.736 4.668 3.967 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.056 3.059 4.104 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.935 6.754 4.491 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.624 6.941 4.123 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.002 1.786 4.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.763 5.114 3.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.352 1.073 3.750 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.198 2.647 3.551 1.00 0.00 H new ATOM 394 N ASP A 28 3.216 6.285 6.134 1.00 0.00 N ATOM 395 CA ASP A 28 3.284 7.623 6.694 1.00 0.00 C ATOM 396 C ASP A 28 2.838 8.637 5.639 1.00 0.00 C ATOM 397 O ASP A 28 3.052 8.431 4.445 1.00 0.00 O ATOM 398 CB ASP A 28 4.714 7.974 7.110 1.00 0.00 C ATOM 399 CG ASP A 28 4.945 8.064 8.620 1.00 0.00 C ATOM 400 OD1 ASP A 28 4.139 7.453 9.355 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.921 8.742 9.006 1.00 0.00 O ATOM 0 H ASP A 28 3.786 6.142 5.301 1.00 0.00 H new ATOM 0 HA ASP A 28 2.635 7.655 7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.390 7.225 6.698 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.983 8.929 6.659 1.00 0.00 H new ATOM 406 N PRO A 29 2.208 9.738 6.130 1.00 0.00 N ATOM 407 CA PRO A 29 1.729 10.784 5.242 1.00 0.00 C ATOM 408 C PRO A 29 2.889 11.636 4.723 1.00 0.00 C ATOM 409 O PRO A 29 3.843 11.903 5.452 1.00 0.00 O ATOM 410 CB PRO A 29 0.734 11.579 6.072 1.00 0.00 C ATOM 411 CG PRO A 29 1.035 11.239 7.522 1.00 0.00 C ATOM 412 CD PRO A 29 1.937 10.016 7.537 1.00 0.00 C ATOM 0 HA PRO A 29 1.253 10.389 4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.841 12.649 5.891 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.291 11.313 5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.522 12.079 8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.112 11.039 8.067 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.858 10.210 8.087 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.449 9.170 8.021 1.00 0.00 H new ATOM 420 N PRO A 30 2.766 12.050 3.433 1.00 0.00 N ATOM 421 CA PRO A 30 3.792 12.866 2.807 1.00 0.00 C ATOM 422 C PRO A 30 3.729 14.309 3.313 1.00 0.00 C ATOM 423 O PRO A 30 2.814 15.054 2.964 1.00 0.00 O ATOM 424 CB PRO A 30 3.533 12.748 1.314 1.00 0.00 C ATOM 425 CG PRO A 30 2.102 12.253 1.178 1.00 0.00 C ATOM 426 CD PRO A 30 1.650 11.753 2.540 1.00 0.00 C ATOM 0 HA PRO A 30 4.801 12.532 3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.663 13.710 0.818 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.233 12.053 0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.452 13.056 0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.043 11.454 0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.739 12.256 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.434 10.685 2.518 1.00 0.00 H new ATOM 434 N GLU A 31 4.714 14.661 4.127 1.00 0.00 N ATOM 435 CA GLU A 31 4.782 16.001 4.684 1.00 0.00 C ATOM 436 C GLU A 31 4.827 17.040 3.562 1.00 0.00 C ATOM 437 O GLU A 31 4.313 18.147 3.715 1.00 0.00 O ATOM 438 CB GLU A 31 5.987 16.147 5.616 1.00 0.00 C ATOM 439 CG GLU A 31 6.135 17.591 6.097 1.00 0.00 C ATOM 440 CD GLU A 31 6.024 17.676 7.621 1.00 0.00 C ATOM 441 OE1 GLU A 31 4.877 17.800 8.100 1.00 0.00 O ATOM 442 OE2 GLU A 31 7.090 17.613 8.272 1.00 0.00 O ATOM 0 H GLU A 31 5.471 14.041 4.414 1.00 0.00 H new ATOM 0 HA GLU A 31 3.884 16.173 5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.871 15.484 6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.894 15.838 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.098 17.988 5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.366 18.212 5.638 1.00 0.00 H new ATOM 449 N LEU A 32 5.448 16.647 2.459 1.00 0.00 N ATOM 450 CA LEU A 32 5.567 17.531 1.312 1.00 0.00 C ATOM 451 C LEU A 32 4.369 17.319 0.384 1.00 0.00 C ATOM 452 O LEU A 32 4.252 16.275 -0.256 1.00 0.00 O ATOM 453 CB LEU A 32 6.920 17.337 0.625 1.00 0.00 C ATOM 454 CG LEU A 32 8.011 18.342 0.996 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.189 18.258 0.023 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.443 19.760 1.086 1.00 0.00 C ATOM 0 H LEU A 32 5.874 15.728 2.336 1.00 0.00 H new ATOM 0 HA LEU A 32 5.544 18.573 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.282 16.335 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.767 17.379 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 32 8.391 18.083 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.950 18.983 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.614 17.255 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.843 18.476 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.240 20.455 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.019 20.044 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.665 19.792 1.848 1.00 0.00 H new ATOM 468 N VAL A 33 3.509 18.326 0.340 1.00 0.00 N ATOM 469 CA VAL A 33 2.325 18.264 -0.499 1.00 0.00 C ATOM 470 C VAL A 33 2.159 19.592 -1.239 1.00 0.00 C ATOM 471 O VAL A 33 2.450 20.654 -0.690 1.00 0.00 O ATOM 472 CB VAL A 33 1.104 17.893 0.346 1.00 0.00 C ATOM 473 CG1 VAL A 33 0.047 17.181 -0.501 1.00 0.00 C ATOM 474 CG2 VAL A 33 1.509 17.040 1.550 1.00 0.00 C ATOM 0 H VAL A 33 3.609 19.190 0.873 1.00 0.00 H new ATOM 0 HA VAL A 33 2.431 17.484 -1.253 1.00 0.00 H new ATOM 0 HB VAL A 33 0.664 18.816 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.810 16.928 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.274 17.838 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.471 16.269 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.623 16.790 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.985 16.123 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.208 17.598 2.173 1.00 0.00 H new ATOM 484 N PRO A 34 1.679 19.487 -2.507 1.00 0.00 N ATOM 485 CA PRO A 34 1.471 20.668 -3.329 1.00 0.00 C ATOM 486 C PRO A 34 0.223 21.432 -2.883 1.00 0.00 C ATOM 487 O PRO A 34 0.033 22.589 -3.257 1.00 0.00 O ATOM 488 CB PRO A 34 1.369 20.143 -4.752 1.00 0.00 C ATOM 489 CG PRO A 34 1.059 18.660 -4.629 1.00 0.00 C ATOM 490 CD PRO A 34 1.323 18.247 -3.190 1.00 0.00 C ATOM 0 HA PRO A 34 2.283 21.390 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.585 20.661 -5.304 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.300 20.303 -5.295 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.021 18.463 -4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.681 18.082 -5.312 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.442 17.787 -2.742 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.129 17.516 -3.130 1.00 0.00 H new ATOM 498 N LYS A 35 -0.595 20.756 -2.090 1.00 0.00 N ATOM 499 CA LYS A 35 -1.820 21.357 -1.590 1.00 0.00 C ATOM 500 C LYS A 35 -2.580 20.330 -0.748 1.00 0.00 C ATOM 501 O LYS A 35 -2.385 20.249 0.464 1.00 0.00 O ATOM 502 CB LYS A 35 -2.642 21.938 -2.742 1.00 0.00 C ATOM 503 CG LYS A 35 -4.053 22.305 -2.278 1.00 0.00 C ATOM 504 CD LYS A 35 -4.792 23.105 -3.353 1.00 0.00 C ATOM 505 CE LYS A 35 -5.214 22.202 -4.514 1.00 0.00 C ATOM 506 NZ LYS A 35 -6.618 22.473 -4.898 1.00 0.00 N ATOM 0 H LYS A 35 -0.434 19.797 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.592 22.199 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.144 22.823 -3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.699 21.213 -3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.611 21.398 -2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.997 22.888 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.672 23.580 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.149 23.904 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.558 22.368 -5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.105 21.156 -4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.888 21.852 -5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.241 22.292 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.712 23.466 -5.192 1.00 0.00 H new ATOM 520 N ARG A 36 -3.431 19.572 -1.424 1.00 0.00 N ATOM 521 CA ARG A 36 -4.221 18.554 -0.754 1.00 0.00 C ATOM 522 C ARG A 36 -4.020 17.196 -1.429 1.00 0.00 C ATOM 523 O ARG A 36 -3.838 17.123 -2.644 1.00 0.00 O ATOM 524 CB ARG A 36 -5.709 18.910 -0.774 1.00 0.00 C ATOM 525 CG ARG A 36 -6.575 17.655 -0.650 1.00 0.00 C ATOM 526 CD ARG A 36 -8.027 18.019 -0.332 1.00 0.00 C ATOM 527 NE ARG A 36 -8.202 18.170 1.130 1.00 0.00 N ATOM 528 CZ ARG A 36 -9.298 18.682 1.706 1.00 0.00 C ATOM 529 NH1 ARG A 36 -10.323 19.096 0.948 1.00 0.00 N ATOM 530 NH2 ARG A 36 -9.369 18.781 3.041 1.00 0.00 N ATOM 0 H ARG A 36 -3.590 19.643 -2.429 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.885 18.502 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.934 19.594 0.045 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.949 19.432 -1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.534 17.087 -1.580 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.178 17.011 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.297 18.947 -0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.696 17.245 -0.709 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.441 17.865 1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.269 19.021 -0.068 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.157 19.486 1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.589 18.467 3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.203 19.171 3.480 1.00 0.00 H new ATOM 544 N LEU A 37 -4.060 16.153 -0.613 1.00 0.00 N ATOM 545 CA LEU A 37 -3.884 14.801 -1.116 1.00 0.00 C ATOM 546 C LEU A 37 -5.211 14.298 -1.688 1.00 0.00 C ATOM 547 O LEU A 37 -6.261 14.467 -1.071 1.00 0.00 O ATOM 548 CB LEU A 37 -3.301 13.897 -0.028 1.00 0.00 C ATOM 549 CG LEU A 37 -2.149 12.986 -0.460 1.00 0.00 C ATOM 550 CD1 LEU A 37 -1.043 12.964 0.597 1.00 0.00 C ATOM 551 CD2 LEU A 37 -2.655 11.581 -0.789 1.00 0.00 C ATOM 0 H LEU A 37 -4.212 16.217 0.394 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.160 14.788 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.953 14.526 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.103 13.273 0.367 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.715 13.393 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.236 12.310 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.656 13.973 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.447 12.594 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.817 10.954 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.130 11.150 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.380 11.636 -1.601 1.00 0.00 H new ATOM 563 N ASP A 38 -5.119 13.690 -2.862 1.00 0.00 N ATOM 564 CA ASP A 38 -6.299 13.161 -3.525 1.00 0.00 C ATOM 565 C ASP A 38 -6.531 11.719 -3.070 1.00 0.00 C ATOM 566 O ASP A 38 -7.671 11.263 -2.997 1.00 0.00 O ATOM 567 CB ASP A 38 -6.122 13.156 -5.044 1.00 0.00 C ATOM 568 CG ASP A 38 -7.044 14.109 -5.806 1.00 0.00 C ATOM 569 OD1 ASP A 38 -7.380 15.162 -5.222 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.393 13.763 -6.956 1.00 0.00 O ATOM 0 H ASP A 38 -4.246 13.552 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.146 13.796 -3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.088 13.413 -5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.288 12.143 -5.411 1.00 0.00 H new ATOM 575 N GLY A 39 -5.431 11.041 -2.777 1.00 0.00 N ATOM 576 CA GLY A 39 -5.499 9.659 -2.332 1.00 0.00 C ATOM 577 C GLY A 39 -4.299 8.859 -2.842 1.00 0.00 C ATOM 578 O GLY A 39 -3.677 9.232 -3.835 1.00 0.00 O ATOM 0 H GLY A 39 -4.487 11.423 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.527 9.625 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.423 9.203 -2.689 1.00 0.00 H new ATOM 582 N TYR A 40 -4.011 7.773 -2.139 1.00 0.00 N ATOM 583 CA TYR A 40 -2.897 6.917 -2.508 1.00 0.00 C ATOM 584 C TYR A 40 -3.375 5.720 -3.333 1.00 0.00 C ATOM 585 O TYR A 40 -4.569 5.576 -3.590 1.00 0.00 O ATOM 586 CB TYR A 40 -2.301 6.410 -1.194 1.00 0.00 C ATOM 587 CG TYR A 40 -1.889 7.522 -0.228 1.00 0.00 C ATOM 588 CD1 TYR A 40 -2.842 8.157 0.542 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.563 7.891 -0.126 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.454 9.204 1.451 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.174 8.938 0.784 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.139 9.543 1.527 1.00 0.00 C ATOM 593 OH TYR A 40 -0.773 10.532 2.386 1.00 0.00 O ATOM 0 H TYR A 40 -4.530 7.467 -1.316 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.174 7.467 -3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.029 5.766 -0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.429 5.794 -1.416 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.880 7.868 0.463 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.183 7.395 -0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.190 9.709 2.059 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.860 9.236 0.874 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.718 10.172 3.296 1.00 0.00 H new ATOM 603 N VAL A 41 -2.418 4.892 -3.725 1.00 0.00 N ATOM 604 CA VAL A 41 -2.726 3.712 -4.515 1.00 0.00 C ATOM 605 C VAL A 41 -1.916 2.525 -3.989 1.00 0.00 C ATOM 606 O VAL A 41 -0.690 2.513 -4.089 1.00 0.00 O ATOM 607 CB VAL A 41 -2.478 3.995 -5.998 1.00 0.00 C ATOM 608 CG1 VAL A 41 -1.296 4.949 -6.183 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.262 2.696 -6.776 1.00 0.00 C ATOM 0 H VAL A 41 -1.428 5.015 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.781 3.454 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.367 4.481 -6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.141 5.134 -7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.507 5.892 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.398 4.502 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.088 2.926 -7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.397 2.169 -6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.146 2.066 -6.684 1.00 0.00 H new ATOM 619 N LEU A 42 -2.634 1.556 -3.441 1.00 0.00 N ATOM 620 CA LEU A 42 -1.996 0.367 -2.899 1.00 0.00 C ATOM 621 C LEU A 42 -1.771 -0.643 -4.026 1.00 0.00 C ATOM 622 O LEU A 42 -2.724 -1.097 -4.658 1.00 0.00 O ATOM 623 CB LEU A 42 -2.807 -0.189 -1.727 1.00 0.00 C ATOM 624 CG LEU A 42 -2.234 -1.432 -1.045 1.00 0.00 C ATOM 625 CD1 LEU A 42 -0.778 -1.209 -0.633 1.00 0.00 C ATOM 626 CD2 LEU A 42 -3.106 -1.860 0.137 1.00 0.00 C ATOM 0 H LEU A 42 -3.651 1.569 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.016 0.613 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.911 0.596 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.810 -0.424 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.243 -2.251 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.395 -2.108 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.179 -0.988 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.721 -0.371 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.676 -2.746 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.152 -1.051 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.112 -2.088 -0.216 1.00 0.00 H new ATOM 638 N GLU A 43 -0.505 -0.967 -4.243 1.00 0.00 N ATOM 639 CA GLU A 43 -0.142 -1.915 -5.282 1.00 0.00 C ATOM 640 C GLU A 43 0.664 -3.072 -4.687 1.00 0.00 C ATOM 641 O GLU A 43 1.771 -2.871 -4.191 1.00 0.00 O ATOM 642 CB GLU A 43 0.634 -1.227 -6.406 1.00 0.00 C ATOM 643 CG GLU A 43 -0.270 -0.953 -7.610 1.00 0.00 C ATOM 644 CD GLU A 43 0.189 0.294 -8.368 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.935 1.088 -7.756 1.00 0.00 O ATOM 646 OE2 GLU A 43 -0.216 0.424 -9.544 1.00 0.00 O ATOM 0 H GLU A 43 0.283 -0.589 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.058 -2.320 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.054 -0.290 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.472 -1.854 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.261 -1.813 -8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.299 -0.821 -7.274 1.00 0.00 H new ATOM 653 N GLY A 44 0.077 -4.258 -4.757 1.00 0.00 N ATOM 654 CA GLY A 44 0.727 -5.446 -4.232 1.00 0.00 C ATOM 655 C GLY A 44 0.911 -6.499 -5.326 1.00 0.00 C ATOM 656 O GLY A 44 0.544 -6.274 -6.478 1.00 0.00 O ATOM 0 H GLY A 44 -0.842 -4.421 -5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.697 -5.179 -3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.132 -5.861 -3.419 1.00 0.00 H new ATOM 660 N ARG A 45 1.480 -7.627 -4.928 1.00 0.00 N ATOM 661 CA ARG A 45 1.718 -8.716 -5.860 1.00 0.00 C ATOM 662 C ARG A 45 2.440 -9.868 -5.159 1.00 0.00 C ATOM 663 O ARG A 45 3.137 -9.657 -4.167 1.00 0.00 O ATOM 664 CB ARG A 45 2.557 -8.248 -7.051 1.00 0.00 C ATOM 665 CG ARG A 45 3.935 -7.765 -6.596 1.00 0.00 C ATOM 666 CD ARG A 45 4.902 -7.671 -7.778 1.00 0.00 C ATOM 667 NE ARG A 45 6.205 -7.135 -7.325 1.00 0.00 N ATOM 668 CZ ARG A 45 7.181 -6.736 -8.152 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.008 -6.811 -9.478 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.331 -6.263 -7.651 1.00 0.00 N ATOM 0 H ARG A 45 1.784 -7.811 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 45 0.749 -9.058 -6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.671 -9.065 -7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.039 -7.442 -7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.843 -6.789 -6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.335 -8.449 -5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.040 -8.656 -8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.483 -7.026 -8.551 1.00 0.00 H new ATOM 0 HE ARG A 45 6.370 -7.065 -6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.133 -7.172 -9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.751 -6.507 -10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.463 -6.207 -6.641 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.074 -5.959 -8.280 1.00 0.00 H new ATOM 684 N GLN A 46 2.249 -11.062 -5.700 1.00 0.00 N ATOM 685 CA GLN A 46 2.873 -12.248 -5.139 1.00 0.00 C ATOM 686 C GLN A 46 4.301 -12.396 -5.667 1.00 0.00 C ATOM 687 O GLN A 46 4.535 -12.300 -6.871 1.00 0.00 O ATOM 688 CB GLN A 46 2.044 -13.498 -5.439 1.00 0.00 C ATOM 689 CG GLN A 46 0.752 -13.509 -4.621 1.00 0.00 C ATOM 690 CD GLN A 46 -0.244 -14.527 -5.181 1.00 0.00 C ATOM 691 OE1 GLN A 46 -1.297 -13.979 -5.781 1.00 0.00 O flip ATOM 692 NE2 GLN A 46 -0.067 -15.730 -5.077 1.00 0.00 N flip ATOM 0 H GLN A 46 1.670 -11.234 -6.522 1.00 0.00 H new ATOM 0 HA GLN A 46 2.917 -12.134 -4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.806 -13.534 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.629 -14.389 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.977 -13.749 -3.582 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.304 -12.515 -4.628 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.764 -16.084 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.750 -16.381 -5.463 1.00 0.00 H new ATOM 736 N GLY A 50 2.563 -9.938 -11.261 1.00 0.00 N ATOM 737 CA GLY A 50 2.178 -8.662 -11.840 1.00 0.00 C ATOM 738 C GLY A 50 1.648 -7.710 -10.766 1.00 0.00 C ATOM 739 O GLY A 50 0.779 -8.080 -9.978 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.036 -8.211 -12.339 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.413 -8.820 -12.601 1.00 0.00 H new ATOM 743 N TRP A 51 2.193 -6.503 -10.769 1.00 0.00 N ATOM 744 CA TRP A 51 1.786 -5.495 -9.804 1.00 0.00 C ATOM 745 C TRP A 51 0.280 -5.274 -9.959 1.00 0.00 C ATOM 746 O TRP A 51 -0.163 -4.639 -10.914 1.00 0.00 O ATOM 747 CB TRP A 51 2.599 -4.211 -9.977 1.00 0.00 C ATOM 748 CG TRP A 51 3.973 -4.249 -9.305 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.178 -4.257 -9.891 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.236 -4.285 -7.886 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.195 -4.295 -8.958 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.603 -4.312 -7.700 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.348 -4.293 -6.796 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.204 -4.350 -6.436 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.964 -4.331 -5.540 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.339 -4.359 -5.336 1.00 0.00 C ATOM 0 H TRP A 51 2.913 -6.200 -11.424 1.00 0.00 H new ATOM 0 HA TRP A 51 1.986 -5.831 -8.787 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.732 -4.018 -11.042 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.030 -3.375 -9.570 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.334 -4.236 -10.959 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.196 -4.308 -9.155 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.275 -4.272 -6.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.277 -4.371 -6.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.327 -4.339 -4.668 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.738 -4.388 -4.333 1.00 0.00 H new ATOM 767 N GLU A 52 -0.465 -5.812 -9.004 1.00 0.00 N ATOM 768 CA GLU A 52 -1.912 -5.681 -9.022 1.00 0.00 C ATOM 769 C GLU A 52 -2.350 -4.502 -8.150 1.00 0.00 C ATOM 770 O GLU A 52 -1.943 -4.395 -6.994 1.00 0.00 O ATOM 771 CB GLU A 52 -2.585 -6.978 -8.568 1.00 0.00 C ATOM 772 CG GLU A 52 -2.705 -7.029 -7.043 1.00 0.00 C ATOM 773 CD GLU A 52 -2.957 -8.459 -6.560 1.00 0.00 C ATOM 774 OE1 GLU A 52 -1.953 -9.156 -6.301 1.00 0.00 O ATOM 775 OE2 GLU A 52 -4.149 -8.822 -6.462 1.00 0.00 O ATOM 0 H GLU A 52 -0.094 -6.339 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.227 -5.486 -10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.575 -7.055 -9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.008 -7.834 -8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.792 -6.644 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.520 -6.382 -6.717 1.00 0.00 H new ATOM 782 N VAL A 53 -3.173 -3.646 -8.738 1.00 0.00 N ATOM 783 CA VAL A 53 -3.670 -2.479 -8.030 1.00 0.00 C ATOM 784 C VAL A 53 -4.743 -2.913 -7.030 1.00 0.00 C ATOM 785 O VAL A 53 -5.896 -3.125 -7.404 1.00 0.00 O ATOM 786 CB VAL A 53 -4.171 -1.435 -9.029 1.00 0.00 C ATOM 787 CG1 VAL A 53 -4.969 -0.338 -8.322 1.00 0.00 C ATOM 788 CG2 VAL A 53 -3.010 -0.839 -9.829 1.00 0.00 C ATOM 0 H VAL A 53 -3.508 -3.738 -9.697 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.868 -2.007 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.838 -1.936 -9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.313 0.391 -9.055 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.829 -0.780 -7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.334 0.158 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.394 -0.100 -10.532 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.306 -0.361 -9.148 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.502 -1.632 -10.378 1.00 0.00 H new ATOM 798 N LEU A 54 -4.327 -3.034 -5.778 1.00 0.00 N ATOM 799 CA LEU A 54 -5.239 -3.439 -4.722 1.00 0.00 C ATOM 800 C LEU A 54 -6.319 -2.369 -4.548 1.00 0.00 C ATOM 801 O LEU A 54 -7.503 -2.688 -4.449 1.00 0.00 O ATOM 802 CB LEU A 54 -4.467 -3.748 -3.437 1.00 0.00 C ATOM 803 CG LEU A 54 -3.334 -4.768 -3.565 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.519 -4.847 -2.272 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.873 -6.137 -3.987 1.00 0.00 C ATOM 0 H LEU A 54 -3.370 -2.859 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.747 -4.365 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.049 -2.817 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.173 -4.111 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.659 -4.431 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.720 -5.579 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.087 -3.870 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.169 -5.148 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.047 -6.843 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.582 -6.495 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.374 -6.049 -4.951 1.00 0.00 H new ATOM 817 N ASP A 55 -5.872 -1.122 -4.515 1.00 0.00 N ATOM 818 CA ASP A 55 -6.785 -0.004 -4.355 1.00 0.00 C ATOM 819 C ASP A 55 -6.059 1.296 -4.704 1.00 0.00 C ATOM 820 O ASP A 55 -5.264 1.800 -3.911 1.00 0.00 O ATOM 821 CB ASP A 55 -7.277 0.103 -2.910 1.00 0.00 C ATOM 822 CG ASP A 55 -8.788 -0.058 -2.728 1.00 0.00 C ATOM 823 OD1 ASP A 55 -9.509 0.200 -3.716 1.00 0.00 O ATOM 824 OD2 ASP A 55 -9.187 -0.435 -1.605 1.00 0.00 O ATOM 0 H ASP A 55 -4.889 -0.862 -4.596 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.637 -0.168 -5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.771 -0.656 -2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.979 1.073 -2.512 1.00 0.00 H new ATOM 829 N PRO A 56 -6.365 1.816 -5.923 1.00 0.00 N ATOM 830 CA PRO A 56 -5.750 3.049 -6.387 1.00 0.00 C ATOM 831 C PRO A 56 -6.354 4.263 -5.678 1.00 0.00 C ATOM 832 O PRO A 56 -5.740 5.328 -5.634 1.00 0.00 O ATOM 833 CB PRO A 56 -5.980 3.062 -7.889 1.00 0.00 C ATOM 834 CG PRO A 56 -7.111 2.079 -8.146 1.00 0.00 C ATOM 835 CD PRO A 56 -7.301 1.247 -6.888 1.00 0.00 C ATOM 0 HA PRO A 56 -4.685 3.100 -6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.245 4.061 -8.235 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.078 2.768 -8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.030 2.611 -8.394 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.874 1.438 -8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.327 1.305 -6.526 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.088 0.194 -7.073 1.00 0.00 H new ATOM 843 N ALA A 57 -7.549 4.062 -5.143 1.00 0.00 N ATOM 844 CA ALA A 57 -8.242 5.127 -4.439 1.00 0.00 C ATOM 845 C ALA A 57 -8.159 4.876 -2.932 1.00 0.00 C ATOM 846 O ALA A 57 -8.942 4.102 -2.384 1.00 0.00 O ATOM 847 CB ALA A 57 -9.686 5.212 -4.936 1.00 0.00 C ATOM 0 H ALA A 57 -8.055 3.177 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.770 6.089 -4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.206 6.011 -4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.691 5.421 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.191 4.265 -4.749 1.00 0.00 H new ATOM 853 N VAL A 58 -7.202 5.544 -2.305 1.00 0.00 N ATOM 854 CA VAL A 58 -7.006 5.403 -0.872 1.00 0.00 C ATOM 855 C VAL A 58 -7.027 6.787 -0.220 1.00 0.00 C ATOM 856 O VAL A 58 -6.335 7.700 -0.670 1.00 0.00 O ATOM 857 CB VAL A 58 -5.714 4.631 -0.594 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.429 4.562 0.907 1.00 0.00 C ATOM 859 CG2 VAL A 58 -5.771 3.230 -1.207 1.00 0.00 C ATOM 0 H VAL A 58 -6.554 6.185 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.817 4.823 -0.431 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.893 5.170 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.506 4.008 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.325 5.572 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.253 4.057 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.841 2.702 -0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.607 2.679 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.905 3.310 -2.286 1.00 0.00 H new ATOM 869 N ALA A 59 -7.828 6.899 0.829 1.00 0.00 N ATOM 870 CA ALA A 59 -7.948 8.157 1.548 1.00 0.00 C ATOM 871 C ALA A 59 -6.580 8.840 1.603 1.00 0.00 C ATOM 872 O ALA A 59 -5.582 8.212 1.954 1.00 0.00 O ATOM 873 CB ALA A 59 -8.526 7.896 2.940 1.00 0.00 C ATOM 0 H ALA A 59 -8.400 6.140 1.199 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.632 8.831 1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.616 8.839 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.510 7.437 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.864 7.226 3.489 1.00 0.00 H new ATOM 879 N GLY A 60 -6.578 10.118 1.252 1.00 0.00 N ATOM 880 CA GLY A 60 -5.350 10.893 1.257 1.00 0.00 C ATOM 881 C GLY A 60 -4.920 11.230 2.687 1.00 0.00 C ATOM 882 O GLY A 60 -3.888 11.867 2.895 1.00 0.00 O ATOM 0 H GLY A 60 -7.408 10.636 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.560 10.332 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.494 11.813 0.690 1.00 0.00 H new ATOM 886 N THR A 61 -5.732 10.786 3.635 1.00 0.00 N ATOM 887 CA THR A 61 -5.449 11.032 5.039 1.00 0.00 C ATOM 888 C THR A 61 -5.165 9.715 5.764 1.00 0.00 C ATOM 889 O THR A 61 -4.564 9.711 6.837 1.00 0.00 O ATOM 890 CB THR A 61 -6.626 11.810 5.629 1.00 0.00 C ATOM 891 OG1 THR A 61 -7.755 10.978 5.374 1.00 0.00 O ATOM 892 CG2 THR A 61 -6.928 13.095 4.855 1.00 0.00 C ATOM 0 H THR A 61 -6.586 10.257 3.458 1.00 0.00 H new ATOM 0 HA THR A 61 -4.549 11.635 5.162 1.00 0.00 H new ATOM 0 HB THR A 61 -6.412 12.056 6.669 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.563 11.406 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.772 13.608 5.316 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.054 13.745 4.874 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.174 12.848 3.822 1.00 0.00 H new ATOM 900 N GLU A 62 -5.611 8.630 5.149 1.00 0.00 N ATOM 901 CA GLU A 62 -5.412 7.310 5.722 1.00 0.00 C ATOM 902 C GLU A 62 -3.921 7.045 5.941 1.00 0.00 C ATOM 903 O GLU A 62 -3.082 7.548 5.196 1.00 0.00 O ATOM 904 CB GLU A 62 -6.038 6.229 4.839 1.00 0.00 C ATOM 905 CG GLU A 62 -7.432 5.849 5.342 1.00 0.00 C ATOM 906 CD GLU A 62 -7.345 4.858 6.504 1.00 0.00 C ATOM 907 OE1 GLU A 62 -6.906 5.294 7.590 1.00 0.00 O ATOM 908 OE2 GLU A 62 -7.719 3.686 6.280 1.00 0.00 O ATOM 0 H GLU A 62 -6.110 8.638 4.259 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.912 7.276 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.103 6.587 3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.398 5.347 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.963 6.745 5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.009 5.410 4.528 1.00 0.00 H new ATOM 915 N THR A 63 -3.637 6.255 6.966 1.00 0.00 N ATOM 916 CA THR A 63 -2.262 5.917 7.292 1.00 0.00 C ATOM 917 C THR A 63 -2.059 4.402 7.242 1.00 0.00 C ATOM 918 O THR A 63 -0.985 3.904 7.575 1.00 0.00 O ATOM 919 CB THR A 63 -1.936 6.529 8.656 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.145 6.392 9.397 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.714 8.041 8.581 1.00 0.00 C ATOM 0 H THR A 63 -4.336 5.839 7.582 1.00 0.00 H new ATOM 0 HA THR A 63 -1.569 6.330 6.560 1.00 0.00 H new ATOM 0 HB THR A 63 -1.046 6.051 9.064 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.022 6.762 10.296 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.486 8.425 9.575 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.882 8.254 7.910 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.616 8.523 8.204 1.00 0.00 H new ATOM 929 N GLU A 64 -3.109 3.710 6.823 1.00 0.00 N ATOM 930 CA GLU A 64 -3.059 2.261 6.725 1.00 0.00 C ATOM 931 C GLU A 64 -4.280 1.739 5.964 1.00 0.00 C ATOM 932 O GLU A 64 -5.190 2.502 5.646 1.00 0.00 O ATOM 933 CB GLU A 64 -2.961 1.621 8.111 1.00 0.00 C ATOM 934 CG GLU A 64 -4.002 2.213 9.063 1.00 0.00 C ATOM 935 CD GLU A 64 -5.274 1.363 9.082 1.00 0.00 C ATOM 936 OE1 GLU A 64 -5.792 1.091 7.978 1.00 0.00 O ATOM 937 OE2 GLU A 64 -5.700 1.004 10.201 1.00 0.00 O ATOM 0 H GLU A 64 -3.999 4.126 6.548 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.163 1.984 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.108 0.544 8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.962 1.776 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.587 2.275 10.069 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.245 3.230 8.755 1.00 0.00 H new ATOM 944 N LEU A 65 -4.258 0.442 5.695 1.00 0.00 N ATOM 945 CA LEU A 65 -5.352 -0.192 4.978 1.00 0.00 C ATOM 946 C LEU A 65 -5.242 -1.710 5.126 1.00 0.00 C ATOM 947 O LEU A 65 -4.148 -2.241 5.316 1.00 0.00 O ATOM 948 CB LEU A 65 -5.385 0.283 3.524 1.00 0.00 C ATOM 949 CG LEU A 65 -6.295 -0.507 2.580 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.736 -0.001 2.656 1.00 0.00 C ATOM 951 CD2 LEU A 65 -5.754 -0.483 1.150 1.00 0.00 C ATOM 0 H LEU A 65 -3.500 -0.187 5.960 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.310 0.102 5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.699 1.327 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.370 0.251 3.129 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.302 -1.548 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.361 -0.579 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.108 -0.113 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.768 1.051 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.419 -1.051 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.698 0.548 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.759 -0.928 1.130 1.00 0.00 H new ATOM 963 N LEU A 66 -6.389 -2.367 5.033 1.00 0.00 N ATOM 964 CA LEU A 66 -6.434 -3.814 5.155 1.00 0.00 C ATOM 965 C LEU A 66 -6.520 -4.436 3.760 1.00 0.00 C ATOM 966 O LEU A 66 -7.228 -3.928 2.892 1.00 0.00 O ATOM 967 CB LEU A 66 -7.571 -4.238 6.088 1.00 0.00 C ATOM 968 CG LEU A 66 -7.545 -5.694 6.558 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.801 -5.827 7.888 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.960 -6.271 6.632 1.00 0.00 C ATOM 0 H LEU A 66 -7.294 -1.924 4.875 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.519 -4.186 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.553 -3.593 6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.518 -4.058 5.579 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.996 -6.281 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.797 -6.871 8.200 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.775 -5.480 7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.301 -5.224 8.646 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.913 -7.307 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.555 -5.687 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.422 -6.230 5.645 1.00 0.00 H new ATOM 982 N VAL A 67 -5.788 -5.527 3.587 1.00 0.00 N ATOM 983 CA VAL A 67 -5.772 -6.224 2.312 1.00 0.00 C ATOM 984 C VAL A 67 -5.765 -7.734 2.561 1.00 0.00 C ATOM 985 O VAL A 67 -4.709 -8.365 2.541 1.00 0.00 O ATOM 986 CB VAL A 67 -4.585 -5.751 1.472 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.400 -6.634 0.236 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.744 -4.281 1.076 1.00 0.00 C ATOM 0 H VAL A 67 -5.201 -5.945 4.309 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.670 -5.993 1.739 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.687 -5.839 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.549 -6.275 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.219 -7.663 0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.300 -6.594 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.886 -3.970 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.656 -4.158 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.803 -3.667 1.974 1.00 0.00 H new ATOM 998 N PRO A 68 -6.986 -8.284 2.796 1.00 0.00 N ATOM 999 CA PRO A 68 -7.130 -9.707 3.048 1.00 0.00 C ATOM 1000 C PRO A 68 -6.978 -10.511 1.756 1.00 0.00 C ATOM 1001 O PRO A 68 -6.941 -11.741 1.785 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.503 -9.858 3.684 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.262 -8.587 3.340 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.258 -7.567 2.828 1.00 0.00 C ATOM 0 HA PRO A 68 -6.355 -10.097 3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.018 -10.737 3.298 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.422 -9.985 4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.021 -8.789 2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.782 -8.203 4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.533 -7.203 1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.207 -6.698 3.484 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.895 -9.785 0.651 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.749 -10.415 -0.650 1.00 0.00 C ATOM 1014 C GLY A 69 -5.322 -10.930 -0.852 1.00 0.00 C ATOM 1015 O GLY A 69 -4.696 -10.651 -1.873 1.00 0.00 O ATOM 0 H GLY A 69 -6.926 -8.766 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.454 -11.242 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.996 -9.700 -1.434 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.851 -11.674 0.138 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.510 -12.232 0.082 1.00 0.00 C ATOM 1021 C LEU A 70 -3.599 -13.755 -0.029 1.00 0.00 C ATOM 1022 O LEU A 70 -4.620 -14.347 0.319 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.679 -11.749 1.272 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.380 -10.249 1.317 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.016 -9.981 1.957 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.492 -9.625 -0.075 1.00 0.00 C ATOM 0 H LEU A 70 -5.374 -11.903 0.983 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.987 -11.878 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.201 -12.023 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.732 -12.288 1.271 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.131 -9.770 1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.828 -8.908 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.009 -10.369 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.238 -10.475 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.275 -8.559 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.779 -10.103 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.503 -9.768 -0.458 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.517 -14.346 -0.513 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.461 -15.789 -0.673 1.00 0.00 C ATOM 1040 C ILE A 71 -1.459 -16.370 0.327 1.00 0.00 C ATOM 1041 O ILE A 71 -0.515 -15.693 0.730 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.160 -16.155 -2.128 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.169 -15.506 -3.077 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -2.097 -17.673 -2.310 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.282 -16.488 -3.450 1.00 0.00 C ATOM 0 H ILE A 71 -1.672 -13.852 -0.800 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.430 -16.235 -0.450 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.177 -15.759 -2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.601 -14.623 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.660 -15.168 -3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.882 -17.906 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.310 -18.083 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.054 -18.113 -2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.986 -16.001 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.849 -17.358 -3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.805 -16.805 -2.548 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.699 -17.619 0.698 1.00 0.00 N ATOM 1058 CA LYS A 72 -0.830 -18.299 1.643 1.00 0.00 C ATOM 1059 C LYS A 72 0.262 -19.049 0.878 1.00 0.00 C ATOM 1060 O LYS A 72 0.114 -19.320 -0.313 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.649 -19.191 2.578 1.00 0.00 C ATOM 1062 CG LYS A 72 -2.317 -20.329 1.804 1.00 0.00 C ATOM 1063 CD LYS A 72 -2.256 -21.639 2.593 1.00 0.00 C ATOM 1064 CE LYS A 72 -3.553 -21.873 3.369 1.00 0.00 C ATOM 1065 NZ LYS A 72 -4.404 -22.862 2.670 1.00 0.00 N ATOM 0 H LYS A 72 -2.483 -18.178 0.361 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.329 -17.576 2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.002 -19.604 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.409 -18.594 3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.356 -20.072 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.823 -20.457 0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.081 -22.471 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.414 -21.612 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.324 -22.228 4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.093 -20.933 3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.280 -23.009 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.638 -22.509 1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.892 -23.764 2.588 1.00 0.00 H new ATOM 1079 N ASP A 73 1.332 -19.362 1.592 1.00 0.00 N ATOM 1080 CA ASP A 73 2.448 -20.076 0.995 1.00 0.00 C ATOM 1081 C ASP A 73 3.139 -19.170 -0.027 1.00 0.00 C ATOM 1082 O ASP A 73 3.997 -19.622 -0.783 1.00 0.00 O ATOM 1083 CB ASP A 73 1.971 -21.333 0.265 1.00 0.00 C ATOM 1084 CG ASP A 73 0.690 -21.957 0.822 1.00 0.00 C ATOM 1085 OD1 ASP A 73 0.400 -21.693 2.009 1.00 0.00 O ATOM 1086 OD2 ASP A 73 0.030 -22.685 0.049 1.00 0.00 O ATOM 0 H ASP A 73 1.451 -19.134 2.579 1.00 0.00 H new ATOM 0 HA ASP A 73 3.132 -20.361 1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.811 -21.087 -0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.765 -22.079 0.300 1.00 0.00 H new ATOM 1091 N VAL A 74 2.738 -17.907 -0.016 1.00 0.00 N ATOM 1092 CA VAL A 74 3.308 -16.933 -0.932 1.00 0.00 C ATOM 1093 C VAL A 74 3.697 -15.674 -0.155 1.00 0.00 C ATOM 1094 O VAL A 74 3.420 -15.567 1.039 1.00 0.00 O ATOM 1095 CB VAL A 74 2.328 -16.653 -2.073 1.00 0.00 C ATOM 1096 CG1 VAL A 74 2.004 -17.934 -2.845 1.00 0.00 C ATOM 1097 CG2 VAL A 74 1.052 -15.990 -1.550 1.00 0.00 C ATOM 0 H VAL A 74 2.026 -17.536 0.612 1.00 0.00 H new ATOM 0 HA VAL A 74 4.216 -17.325 -1.390 1.00 0.00 H new ATOM 0 HB VAL A 74 2.807 -15.959 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.305 -17.707 -3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.921 -18.347 -3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.555 -18.662 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.373 -15.802 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.569 -16.649 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.304 -15.046 -1.067 1.00 0.00 H new ATOM 1107 N LEU A 75 4.332 -14.752 -0.864 1.00 0.00 N ATOM 1108 CA LEU A 75 4.761 -13.505 -0.255 1.00 0.00 C ATOM 1109 C LEU A 75 4.239 -12.331 -1.086 1.00 0.00 C ATOM 1110 O LEU A 75 4.835 -11.970 -2.099 1.00 0.00 O ATOM 1111 CB LEU A 75 6.279 -13.496 -0.064 1.00 0.00 C ATOM 1112 CG LEU A 75 6.838 -12.379 0.819 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.006 -11.102 0.680 1.00 0.00 C ATOM 1114 CD2 LEU A 75 6.949 -12.834 2.276 1.00 0.00 C ATOM 0 H LEU A 75 4.559 -14.844 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 75 4.337 -13.403 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.577 -14.453 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.748 -13.425 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 75 7.846 -12.146 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.425 -10.324 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.022 -10.768 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.978 -11.303 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.349 -12.021 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.962 -13.111 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.615 -13.695 2.339 1.00 0.00 H new ATOM 1126 N TYR A 76 3.132 -11.768 -0.626 1.00 0.00 N ATOM 1127 CA TYR A 76 2.523 -10.642 -1.314 1.00 0.00 C ATOM 1128 C TYR A 76 3.238 -9.335 -0.966 1.00 0.00 C ATOM 1129 O TYR A 76 3.472 -9.045 0.206 1.00 0.00 O ATOM 1130 CB TYR A 76 1.080 -10.570 -0.811 1.00 0.00 C ATOM 1131 CG TYR A 76 0.042 -11.045 -1.829 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.251 -12.389 -1.941 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.602 -10.129 -2.636 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -1.229 -12.836 -2.899 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.580 -10.576 -3.595 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.845 -11.907 -3.679 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.768 -12.329 -4.584 1.00 0.00 O ATOM 0 H TYR A 76 2.640 -12.070 0.215 1.00 0.00 H new ATOM 0 HA TYR A 76 2.583 -10.775 -2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.990 -11.173 0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.855 -9.541 -0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.253 -13.106 -1.310 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.373 -9.077 -2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.468 -13.885 -2.996 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.091 -9.870 -4.233 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.444 -13.140 -5.028 1.00 0.00 H new ATOM 1147 N GLU A 77 3.564 -8.581 -2.005 1.00 0.00 N ATOM 1148 CA GLU A 77 4.247 -7.311 -1.824 1.00 0.00 C ATOM 1149 C GLU A 77 3.231 -6.174 -1.707 1.00 0.00 C ATOM 1150 O GLU A 77 2.024 -6.409 -1.736 1.00 0.00 O ATOM 1151 CB GLU A 77 5.232 -7.051 -2.965 1.00 0.00 C ATOM 1152 CG GLU A 77 6.643 -7.506 -2.587 1.00 0.00 C ATOM 1153 CD GLU A 77 7.457 -7.864 -3.832 1.00 0.00 C ATOM 1154 OE1 GLU A 77 8.046 -6.927 -4.414 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.471 -9.066 -4.174 1.00 0.00 O ATOM 0 H GLU A 77 3.368 -8.825 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 77 4.819 -7.357 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.904 -7.579 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.241 -5.988 -3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.148 -6.714 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.585 -8.370 -1.925 1.00 0.00 H new ATOM 1162 N PHE A 78 3.757 -4.964 -1.576 1.00 0.00 N ATOM 1163 CA PHE A 78 2.910 -3.790 -1.454 1.00 0.00 C ATOM 1164 C PHE A 78 3.696 -2.514 -1.765 1.00 0.00 C ATOM 1165 O PHE A 78 4.916 -2.480 -1.616 1.00 0.00 O ATOM 1166 CB PHE A 78 2.426 -3.736 -0.004 1.00 0.00 C ATOM 1167 CG PHE A 78 1.446 -4.851 0.366 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.174 -4.825 -0.114 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.847 -5.867 1.176 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.736 -5.860 0.230 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.937 -6.902 1.520 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.335 -6.877 1.039 1.00 0.00 C ATOM 0 H PHE A 78 4.758 -4.772 -1.552 1.00 0.00 H new ATOM 0 HA PHE A 78 2.080 -3.855 -2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.290 -3.790 0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.948 -2.772 0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.144 -4.018 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.857 -5.887 1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.746 -5.839 -0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.255 -7.709 2.164 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.026 -7.665 1.299 1.00 0.00 H new ATOM 1182 N ARG A 79 2.963 -1.495 -2.191 1.00 0.00 N ATOM 1183 CA ARG A 79 3.575 -0.220 -2.524 1.00 0.00 C ATOM 1184 C ARG A 79 2.513 0.879 -2.584 1.00 0.00 C ATOM 1185 O ARG A 79 1.553 0.778 -3.347 1.00 0.00 O ATOM 1186 CB ARG A 79 4.302 -0.293 -3.869 1.00 0.00 C ATOM 1187 CG ARG A 79 3.309 -0.237 -5.032 1.00 0.00 C ATOM 1188 CD ARG A 79 3.974 -0.667 -6.341 1.00 0.00 C ATOM 1189 NE ARG A 79 3.350 0.041 -7.481 1.00 0.00 N ATOM 1190 CZ ARG A 79 3.513 -0.312 -8.764 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.280 -1.365 -9.077 1.00 0.00 N ATOM 1192 NH2 ARG A 79 2.908 0.388 -9.733 1.00 0.00 N ATOM 0 H ARG A 79 1.951 -1.527 -2.313 1.00 0.00 H new ATOM 0 HA ARG A 79 4.300 0.014 -1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.009 0.533 -3.950 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.881 -1.215 -3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.459 -0.886 -4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.919 0.776 -5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.041 -0.448 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.874 -1.744 -6.473 1.00 0.00 H new ATOM 0 HE ARG A 79 2.759 0.847 -7.278 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.740 -1.898 -8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.404 -1.633 -10.053 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.324 1.189 -9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.032 0.120 -10.709 1.00 0.00 H new ATOM 1206 N LEU A 80 2.721 1.904 -1.771 1.00 0.00 N ATOM 1207 CA LEU A 80 1.793 3.021 -1.722 1.00 0.00 C ATOM 1208 C LEU A 80 2.406 4.220 -2.449 1.00 0.00 C ATOM 1209 O LEU A 80 3.565 4.564 -2.220 1.00 0.00 O ATOM 1210 CB LEU A 80 1.389 3.320 -0.277 1.00 0.00 C ATOM 1211 CG LEU A 80 -0.097 3.595 -0.040 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.964 2.489 -0.646 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.386 3.798 1.449 1.00 0.00 C ATOM 0 H LEU A 80 3.519 1.985 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 80 0.868 2.770 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.686 2.475 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.958 4.184 0.067 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.357 4.523 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.016 2.710 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.786 2.435 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.708 1.534 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.449 3.992 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.104 2.901 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.190 4.646 1.819 1.00 0.00 H new ATOM 1225 N VAL A 81 1.602 4.823 -3.312 1.00 0.00 N ATOM 1226 CA VAL A 81 2.051 5.976 -4.074 1.00 0.00 C ATOM 1227 C VAL A 81 1.002 7.086 -3.977 1.00 0.00 C ATOM 1228 O VAL A 81 -0.068 6.988 -4.577 1.00 0.00 O ATOM 1229 CB VAL A 81 2.354 5.564 -5.516 1.00 0.00 C ATOM 1230 CG1 VAL A 81 1.962 4.106 -5.764 1.00 0.00 C ATOM 1231 CG2 VAL A 81 1.659 6.496 -6.510 1.00 0.00 C ATOM 0 H VAL A 81 0.642 4.535 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 81 2.980 6.369 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 81 3.429 5.652 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.188 3.839 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.524 3.459 -5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.895 3.980 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.891 6.181 -7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.581 6.455 -6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.009 7.517 -6.358 1.00 0.00 H new ATOM 1241 N ALA A 82 1.345 8.116 -3.218 1.00 0.00 N ATOM 1242 CA ALA A 82 0.446 9.243 -3.035 1.00 0.00 C ATOM 1243 C ALA A 82 0.402 10.069 -4.322 1.00 0.00 C ATOM 1244 O ALA A 82 1.395 10.156 -5.042 1.00 0.00 O ATOM 1245 CB ALA A 82 0.899 10.067 -1.828 1.00 0.00 C ATOM 0 H ALA A 82 2.233 8.194 -2.722 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.567 8.897 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.225 10.912 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.884 9.442 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.911 10.434 -1.997 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.760 10.654 -4.572 1.00 0.00 N ATOM 1252 CA PHE A 83 -0.946 11.470 -5.760 1.00 0.00 C ATOM 1253 C PHE A 83 -1.990 12.561 -5.517 1.00 0.00 C ATOM 1254 O PHE A 83 -2.994 12.327 -4.846 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.446 10.540 -6.868 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.701 9.747 -6.495 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -3.910 10.368 -6.453 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -2.607 8.421 -6.207 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.075 9.633 -6.108 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -3.772 7.686 -5.862 1.00 0.00 C ATOM 1261 CZ PHE A 83 -4.981 8.307 -5.819 1.00 0.00 C ATOM 0 H PHE A 83 -1.582 10.579 -3.973 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.008 11.955 -6.029 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.654 11.132 -7.759 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.651 9.841 -7.128 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.984 11.421 -6.682 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.647 7.927 -6.241 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.035 10.126 -6.075 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.698 6.633 -5.634 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.866 7.748 -5.555 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.718 13.731 -6.077 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.621 14.860 -5.930 1.00 0.00 C ATOM 1273 C ALA A 84 -3.147 15.269 -7.307 1.00 0.00 C ATOM 1274 O ALA A 84 -2.412 15.838 -8.112 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.897 16.004 -5.218 1.00 0.00 C ATOM 0 H ALA A 84 -0.885 13.921 -6.634 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.480 14.587 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.575 16.851 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.570 15.671 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.030 16.307 -5.805 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.417 14.965 -7.535 1.00 0.00 N ATOM 1282 CA GLY A 85 -5.050 15.294 -8.800 1.00 0.00 C ATOM 1283 C GLY A 85 -4.175 14.862 -9.980 1.00 0.00 C ATOM 1284 O GLY A 85 -3.974 13.670 -10.203 1.00 0.00 O ATOM 0 H GLY A 85 -5.024 14.494 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.021 14.803 -8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.232 16.367 -8.851 1.00 0.00 H new ATOM 1288 N SER A 86 -3.680 15.856 -10.703 1.00 0.00 N ATOM 1289 CA SER A 86 -2.833 15.593 -11.854 1.00 0.00 C ATOM 1290 C SER A 86 -1.438 15.169 -11.390 1.00 0.00 C ATOM 1291 O SER A 86 -0.714 14.497 -12.123 1.00 0.00 O ATOM 1292 CB SER A 86 -2.740 16.822 -12.761 1.00 0.00 C ATOM 1293 OG SER A 86 -2.719 16.466 -14.140 1.00 0.00 O ATOM 0 H SER A 86 -3.849 16.844 -10.514 1.00 0.00 H new ATOM 0 HA SER A 86 -3.280 14.783 -12.430 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.588 17.479 -12.569 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.839 17.385 -12.518 1.00 0.00 H new ATOM 0 HG SER A 86 -2.661 17.277 -14.686 1.00 0.00 H new ATOM 1299 N PHE A 87 -1.102 15.579 -10.175 1.00 0.00 N ATOM 1300 CA PHE A 87 0.193 15.250 -9.605 1.00 0.00 C ATOM 1301 C PHE A 87 0.170 13.865 -8.955 1.00 0.00 C ATOM 1302 O PHE A 87 -0.861 13.433 -8.442 1.00 0.00 O ATOM 1303 CB PHE A 87 0.489 16.299 -8.532 1.00 0.00 C ATOM 1304 CG PHE A 87 0.714 17.708 -9.084 1.00 0.00 C ATOM 1305 CD1 PHE A 87 0.567 17.948 -10.414 1.00 0.00 C ATOM 1306 CD2 PHE A 87 1.062 18.719 -8.244 1.00 0.00 C ATOM 1307 CE1 PHE A 87 0.776 19.256 -10.927 1.00 0.00 C ATOM 1308 CE2 PHE A 87 1.272 20.027 -8.757 1.00 0.00 C ATOM 1309 CZ PHE A 87 1.124 20.268 -10.087 1.00 0.00 C ATOM 0 H PHE A 87 -1.705 16.136 -9.570 1.00 0.00 H new ATOM 0 HA PHE A 87 0.952 15.242 -10.387 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.341 16.325 -7.825 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.374 15.993 -7.974 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.291 17.144 -11.081 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.179 18.528 -7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.659 19.447 -11.983 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.549 20.830 -8.090 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.283 21.263 -10.477 1.00 0.00 H new ATOM 1319 N VAL A 88 1.319 13.207 -8.999 1.00 0.00 N ATOM 1320 CA VAL A 88 1.444 11.879 -8.421 1.00 0.00 C ATOM 1321 C VAL A 88 2.802 11.756 -7.727 1.00 0.00 C ATOM 1322 O VAL A 88 3.713 12.538 -7.994 1.00 0.00 O ATOM 1323 CB VAL A 88 1.224 10.816 -9.499 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -0.265 10.647 -9.807 1.00 0.00 C ATOM 1325 CG2 VAL A 88 2.012 11.151 -10.767 1.00 0.00 C ATOM 0 H VAL A 88 2.172 13.568 -9.426 1.00 0.00 H new ATOM 0 HA VAL A 88 0.676 11.718 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 88 1.596 9.866 -9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.393 9.886 -10.576 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.791 10.341 -8.903 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.673 11.594 -10.162 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.838 10.380 -11.518 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.684 12.115 -11.155 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.076 11.197 -10.533 1.00 0.00 H new ATOM 1335 N SER A 89 2.895 10.767 -6.850 1.00 0.00 N ATOM 1336 CA SER A 89 4.126 10.531 -6.116 1.00 0.00 C ATOM 1337 C SER A 89 4.598 9.092 -6.336 1.00 0.00 C ATOM 1338 O SER A 89 3.813 8.230 -6.728 1.00 0.00 O ATOM 1339 CB SER A 89 3.938 10.806 -4.623 1.00 0.00 C ATOM 1340 OG SER A 89 3.470 9.656 -3.923 1.00 0.00 O ATOM 0 H SER A 89 2.137 10.120 -6.631 1.00 0.00 H new ATOM 0 HA SER A 89 4.885 11.217 -6.491 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.885 11.132 -4.192 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.229 11.624 -4.491 1.00 0.00 H new ATOM 0 HG SER A 89 2.766 9.219 -4.446 1.00 0.00 H new ATOM 1346 N ASP A 90 5.879 8.877 -6.072 1.00 0.00 N ATOM 1347 CA ASP A 90 6.465 7.557 -6.236 1.00 0.00 C ATOM 1348 C ASP A 90 5.903 6.618 -5.168 1.00 0.00 C ATOM 1349 O ASP A 90 5.489 7.064 -4.099 1.00 0.00 O ATOM 1350 CB ASP A 90 7.985 7.606 -6.071 1.00 0.00 C ATOM 1351 CG ASP A 90 8.758 8.046 -7.316 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.197 8.871 -8.069 1.00 0.00 O ATOM 1353 OD2 ASP A 90 9.891 7.547 -7.486 1.00 0.00 O ATOM 0 H ASP A 90 6.527 9.594 -5.746 1.00 0.00 H new ATOM 0 HA ASP A 90 6.222 7.202 -7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.225 8.286 -5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.335 6.617 -5.775 1.00 0.00 H new ATOM 1358 N PRO A 91 5.906 5.300 -5.502 1.00 0.00 N ATOM 1359 CA PRO A 91 5.401 4.293 -4.584 1.00 0.00 C ATOM 1360 C PRO A 91 6.393 4.043 -3.446 1.00 0.00 C ATOM 1361 O PRO A 91 7.462 3.474 -3.663 1.00 0.00 O ATOM 1362 CB PRO A 91 5.160 3.063 -5.442 1.00 0.00 C ATOM 1363 CG PRO A 91 5.970 3.274 -6.711 1.00 0.00 C ATOM 1364 CD PRO A 91 6.389 4.734 -6.759 1.00 0.00 C ATOM 0 HA PRO A 91 4.481 4.601 -4.086 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.475 2.157 -4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.100 2.947 -5.670 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.846 2.625 -6.717 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.377 3.018 -7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.471 4.833 -6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 91 5.951 5.244 -7.617 1.00 0.00 H new ATOM 1372 N SER A 92 6.004 4.480 -2.257 1.00 0.00 N ATOM 1373 CA SER A 92 6.845 4.310 -1.085 1.00 0.00 C ATOM 1374 C SER A 92 7.485 2.920 -1.097 1.00 0.00 C ATOM 1375 O SER A 92 7.063 2.045 -1.851 1.00 0.00 O ATOM 1376 CB SER A 92 6.044 4.514 0.203 1.00 0.00 C ATOM 1377 OG SER A 92 4.900 3.665 0.260 1.00 0.00 O ATOM 0 H SER A 92 5.117 4.952 -2.080 1.00 0.00 H new ATOM 0 HA SER A 92 7.630 5.065 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.684 4.318 1.063 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.727 5.555 0.272 1.00 0.00 H new ATOM 0 HG SER A 92 4.383 3.756 -0.568 1.00 0.00 H new ATOM 1383 N ASN A 93 8.493 2.761 -0.252 1.00 0.00 N ATOM 1384 CA ASN A 93 9.195 1.492 -0.156 1.00 0.00 C ATOM 1385 C ASN A 93 8.195 0.347 -0.318 1.00 0.00 C ATOM 1386 O ASN A 93 7.008 0.509 -0.037 1.00 0.00 O ATOM 1387 CB ASN A 93 9.872 1.339 1.208 1.00 0.00 C ATOM 1388 CG ASN A 93 8.951 1.814 2.334 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.550 2.964 2.400 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.638 0.866 3.212 1.00 0.00 N ATOM 0 H ASN A 93 8.840 3.489 0.372 1.00 0.00 H new ATOM 0 HA ASN A 93 9.952 1.466 -0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.141 0.295 1.369 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.798 1.913 1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.027 1.082 4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.008 -0.077 3.098 1.00 0.00 H new ATOM 1397 N THR A 94 8.710 -0.787 -0.770 1.00 0.00 N ATOM 1398 CA THR A 94 7.876 -1.960 -0.973 1.00 0.00 C ATOM 1399 C THR A 94 7.645 -2.686 0.353 1.00 0.00 C ATOM 1400 O THR A 94 8.565 -2.822 1.159 1.00 0.00 O ATOM 1401 CB THR A 94 8.542 -2.835 -2.037 1.00 0.00 C ATOM 1402 OG1 THR A 94 8.870 -1.922 -3.082 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.561 -3.811 -2.690 1.00 0.00 C ATOM 0 H THR A 94 9.695 -0.919 -1.001 1.00 0.00 H new ATOM 0 HA THR A 94 6.885 -1.683 -1.333 1.00 0.00 H new ATOM 0 HB THR A 94 9.363 -3.392 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.308 -2.405 -3.813 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.084 -4.408 -3.437 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.141 -4.469 -1.929 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.757 -3.253 -3.170 1.00 0.00 H new ATOM 1411 N ALA A 95 6.412 -3.134 0.539 1.00 0.00 N ATOM 1412 CA ALA A 95 6.049 -3.843 1.754 1.00 0.00 C ATOM 1413 C ALA A 95 5.794 -5.315 1.424 1.00 0.00 C ATOM 1414 O ALA A 95 5.071 -5.626 0.478 1.00 0.00 O ATOM 1415 CB ALA A 95 4.833 -3.170 2.394 1.00 0.00 C ATOM 0 H ALA A 95 5.652 -3.020 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 95 6.862 -3.804 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.561 -3.702 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.075 -2.135 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.996 -3.193 1.697 1.00 0.00 H new ATOM 1421 N ASN A 96 6.401 -6.181 2.221 1.00 0.00 N ATOM 1422 CA ASN A 96 6.249 -7.613 2.025 1.00 0.00 C ATOM 1423 C ASN A 96 5.509 -8.212 3.223 1.00 0.00 C ATOM 1424 O ASN A 96 5.685 -7.761 4.354 1.00 0.00 O ATOM 1425 CB ASN A 96 7.611 -8.302 1.918 1.00 0.00 C ATOM 1426 CG ASN A 96 8.723 -7.407 2.467 1.00 0.00 C ATOM 1427 OD1 ASN A 96 8.698 -6.968 3.605 1.00 0.00 O ATOM 1428 ND2 ASN A 96 9.698 -7.160 1.596 1.00 0.00 N ATOM 0 H ASN A 96 6.999 -5.919 3.004 1.00 0.00 H new ATOM 0 HA ASN A 96 5.692 -7.769 1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.591 -9.242 2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.818 -8.547 0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.486 -6.572 1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.657 -7.559 0.658 1.00 0.00 H new ATOM 1435 N VAL A 97 4.697 -9.218 2.934 1.00 0.00 N ATOM 1436 CA VAL A 97 3.930 -9.883 3.973 1.00 0.00 C ATOM 1437 C VAL A 97 4.311 -11.364 4.014 1.00 0.00 C ATOM 1438 O VAL A 97 4.640 -11.952 2.985 1.00 0.00 O ATOM 1439 CB VAL A 97 2.434 -9.656 3.745 1.00 0.00 C ATOM 1440 CG1 VAL A 97 1.649 -10.958 3.923 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.898 -8.562 4.670 1.00 0.00 C ATOM 0 H VAL A 97 4.554 -9.589 1.995 1.00 0.00 H new ATOM 0 HA VAL A 97 4.164 -9.461 4.950 1.00 0.00 H new ATOM 0 HB VAL A 97 2.299 -9.321 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.589 -10.769 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.004 -11.698 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.795 -11.335 4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.833 -8.421 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.052 -8.856 5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.426 -7.629 4.474 1.00 0.00 H new ATOM 1451 N SER A 98 4.253 -11.924 5.213 1.00 0.00 N ATOM 1452 CA SER A 98 4.588 -13.326 5.401 1.00 0.00 C ATOM 1453 C SER A 98 3.331 -14.121 5.756 1.00 0.00 C ATOM 1454 O SER A 98 2.410 -13.590 6.374 1.00 0.00 O ATOM 1455 CB SER A 98 5.649 -13.497 6.490 1.00 0.00 C ATOM 1456 OG SER A 98 5.955 -14.868 6.727 1.00 0.00 O ATOM 0 H SER A 98 3.979 -11.433 6.064 1.00 0.00 H new ATOM 0 HA SER A 98 5.000 -13.708 4.467 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.556 -12.968 6.198 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.297 -13.039 7.414 1.00 0.00 H new ATOM 0 HG SER A 98 6.637 -14.935 7.427 1.00 0.00 H new