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= -6.23! C(o=-7.9!,f=-5.2!) USER MOD Set 1.2: A 76 TYR OH : rot -32:sc= 1 USER MOD Single : A 9 SER OG : rot -142:sc= -1.49 USER MOD Single : A 19 THR OG1 : rot -88:sc= 1.58 USER MOD Single : A 26 HIS : no HE2:sc= -8.42! C(o=-8.4!,f=-10!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 100:sc= -1.58 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 89:sc= 0.253 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 -50:sc= -2.37 USER MOD Single : A 92 SER OG : rot -58:sc= -1.55! USER MOD Single : A 93 ASN : amide:sc= 0.154 K(o=0.15,f=-3.6!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0799 X(o=-0.08,f=-0.31) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 4.749 17.019 -4.961 1.00 0.00 N ATOM 67 CA LEU A 8 4.089 16.074 -4.077 1.00 0.00 C ATOM 68 C LEU A 8 5.076 14.974 -3.683 1.00 0.00 C ATOM 69 O LEU A 8 5.612 14.278 -4.545 1.00 0.00 O ATOM 70 CB LEU A 8 2.804 15.546 -4.719 1.00 0.00 C ATOM 71 CG LEU A 8 2.088 14.425 -3.964 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.500 14.938 -2.648 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.028 13.761 -4.844 1.00 0.00 C ATOM 0 HA LEU A 8 3.778 16.568 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.111 16.379 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.043 15.188 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 8 2.823 13.660 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.997 14.121 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.301 15.327 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.783 15.733 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.534 12.968 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.290 14.504 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.503 13.338 -5.729 1.00 0.00 H new ATOM 85 N SER A 9 5.288 14.851 -2.381 1.00 0.00 N ATOM 86 CA SER A 9 6.202 13.847 -1.863 1.00 0.00 C ATOM 87 C SER A 9 5.453 12.536 -1.614 1.00 0.00 C ATOM 88 O SER A 9 4.285 12.548 -1.229 1.00 0.00 O ATOM 89 CB SER A 9 6.874 14.326 -0.575 1.00 0.00 C ATOM 90 OG SER A 9 8.041 15.101 -0.839 1.00 0.00 O ATOM 0 H SER A 9 4.843 15.430 -1.669 1.00 0.00 H new ATOM 0 HA SER A 9 6.981 13.678 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.167 14.921 0.004 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.141 13.464 0.037 1.00 0.00 H new ATOM 0 HG SER A 9 8.729 14.894 -0.173 1.00 0.00 H new ATOM 96 N PRO A 10 6.175 11.408 -1.850 1.00 0.00 N ATOM 97 CA PRO A 10 5.591 10.092 -1.655 1.00 0.00 C ATOM 98 C PRO A 10 5.484 9.754 -0.167 1.00 0.00 C ATOM 99 O PRO A 10 5.973 10.500 0.680 1.00 0.00 O ATOM 100 CB PRO A 10 6.501 9.141 -2.416 1.00 0.00 C ATOM 101 CG PRO A 10 7.809 9.889 -2.618 1.00 0.00 C ATOM 102 CD PRO A 10 7.561 11.356 -2.306 1.00 0.00 C ATOM 0 HA PRO A 10 4.568 10.027 -2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.660 8.220 -1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.060 8.860 -3.372 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.584 9.486 -1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.162 9.771 -3.643 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.244 11.719 -1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.712 11.979 -3.187 1.00 0.00 H new ATOM 110 N PRO A 11 4.825 8.598 0.114 1.00 0.00 N ATOM 111 CA PRO A 11 4.648 8.152 1.486 1.00 0.00 C ATOM 112 C PRO A 11 5.952 7.586 2.051 1.00 0.00 C ATOM 113 O PRO A 11 6.967 7.542 1.357 1.00 0.00 O ATOM 114 CB PRO A 11 3.532 7.122 1.423 1.00 0.00 C ATOM 115 CG PRO A 11 3.444 6.690 -0.031 1.00 0.00 C ATOM 116 CD PRO A 11 4.234 7.688 -0.862 1.00 0.00 C ATOM 0 HA PRO A 11 4.385 8.965 2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.748 6.272 2.070 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.588 7.548 1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.847 5.685 -0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.405 6.659 -0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.002 7.190 -1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.588 8.221 -1.560 1.00 0.00 H new ATOM 124 N ARG A 12 5.884 7.167 3.306 1.00 0.00 N ATOM 125 CA ARG A 12 7.046 6.607 3.973 1.00 0.00 C ATOM 126 C ARG A 12 6.614 5.567 5.009 1.00 0.00 C ATOM 127 O ARG A 12 5.431 5.457 5.328 1.00 0.00 O ATOM 128 CB ARG A 12 7.864 7.698 4.667 1.00 0.00 C ATOM 129 CG ARG A 12 7.569 9.072 4.061 1.00 0.00 C ATOM 130 CD ARG A 12 8.489 10.141 4.654 1.00 0.00 C ATOM 131 NE ARG A 12 8.221 11.450 4.016 1.00 0.00 N ATOM 132 CZ ARG A 12 9.047 12.502 4.085 1.00 0.00 C ATOM 133 NH1 ARG A 12 10.198 12.407 4.763 1.00 0.00 N ATOM 134 NH2 ARG A 12 8.721 13.651 3.475 1.00 0.00 N ATOM 0 H ARG A 12 5.041 7.204 3.879 1.00 0.00 H new ATOM 0 HA ARG A 12 7.666 6.132 3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.633 7.709 5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.927 7.476 4.574 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.701 9.033 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.529 9.339 4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.331 10.212 5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.531 9.860 4.503 1.00 0.00 H new ATOM 0 HE ARG A 12 7.353 11.557 3.491 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.446 11.533 5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.827 13.208 4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.844 13.723 2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.350 14.452 3.527 1.00 0.00 H new ATOM 148 N GLY A 13 7.597 4.830 5.506 1.00 0.00 N ATOM 149 CA GLY A 13 7.333 3.803 6.500 1.00 0.00 C ATOM 150 C GLY A 13 6.103 2.976 6.120 1.00 0.00 C ATOM 151 O GLY A 13 5.051 3.096 6.746 1.00 0.00 O ATOM 0 H GLY A 13 8.577 4.924 5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.201 3.150 6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.177 4.266 7.474 1.00 0.00 H new ATOM 155 N LEU A 14 6.276 2.154 5.095 1.00 0.00 N ATOM 156 CA LEU A 14 5.193 1.307 4.624 1.00 0.00 C ATOM 157 C LEU A 14 5.484 -0.146 5.007 1.00 0.00 C ATOM 158 O LEU A 14 6.438 -0.743 4.513 1.00 0.00 O ATOM 159 CB LEU A 14 4.964 1.513 3.125 1.00 0.00 C ATOM 160 CG LEU A 14 3.919 0.604 2.475 1.00 0.00 C ATOM 161 CD1 LEU A 14 2.531 0.854 3.065 1.00 0.00 C ATOM 162 CD2 LEU A 14 3.931 0.757 0.953 1.00 0.00 C ATOM 0 H LEU A 14 7.150 2.057 4.578 1.00 0.00 H new ATOM 0 HA LEU A 14 4.256 1.584 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.667 2.549 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.913 1.369 2.609 1.00 0.00 H new ATOM 0 HG LEU A 14 4.181 -0.431 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.808 0.195 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.550 0.654 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.245 1.892 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.179 0.100 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.707 1.791 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.915 0.489 0.568 1.00 0.00 H new ATOM 174 N VAL A 15 4.643 -0.672 5.886 1.00 0.00 N ATOM 175 CA VAL A 15 4.797 -2.043 6.341 1.00 0.00 C ATOM 176 C VAL A 15 3.476 -2.791 6.152 1.00 0.00 C ATOM 177 O VAL A 15 2.427 -2.172 5.982 1.00 0.00 O ATOM 178 CB VAL A 15 5.293 -2.061 7.788 1.00 0.00 C ATOM 179 CG1 VAL A 15 6.802 -1.817 7.854 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.534 -1.041 8.640 1.00 0.00 C ATOM 0 H VAL A 15 3.853 -0.173 6.295 1.00 0.00 H new ATOM 0 HA VAL A 15 5.550 -2.560 5.747 1.00 0.00 H new ATOM 0 HB VAL A 15 5.097 -3.052 8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.128 -1.835 8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.321 -2.597 7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.033 -0.845 7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.906 -1.074 9.664 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.684 -0.042 8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.471 -1.280 8.632 1.00 0.00 H new ATOM 190 N ALA A 16 3.570 -4.112 6.188 1.00 0.00 N ATOM 191 CA ALA A 16 2.395 -4.951 6.023 1.00 0.00 C ATOM 192 C ALA A 16 2.362 -5.999 7.137 1.00 0.00 C ATOM 193 O ALA A 16 3.174 -6.923 7.149 1.00 0.00 O ATOM 194 CB ALA A 16 2.410 -5.582 4.629 1.00 0.00 C ATOM 0 H ALA A 16 4.442 -4.622 6.329 1.00 0.00 H new ATOM 0 HA ALA A 16 1.485 -4.357 6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.529 -6.211 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.404 -4.796 3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.308 -6.189 4.514 1.00 0.00 H new ATOM 200 N VAL A 17 1.414 -5.821 8.045 1.00 0.00 N ATOM 201 CA VAL A 17 1.264 -6.740 9.160 1.00 0.00 C ATOM 202 C VAL A 17 0.160 -7.750 8.839 1.00 0.00 C ATOM 203 O VAL A 17 -1.024 -7.439 8.957 1.00 0.00 O ATOM 204 CB VAL A 17 1.003 -5.960 10.450 1.00 0.00 C ATOM 205 CG1 VAL A 17 -0.114 -4.932 10.253 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.678 -6.906 11.608 1.00 0.00 C ATOM 0 H VAL A 17 0.742 -5.054 8.031 1.00 0.00 H new ATOM 0 HA VAL A 17 2.184 -7.303 9.316 1.00 0.00 H new ATOM 0 HB VAL A 17 1.915 -5.420 10.704 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.279 -4.391 11.185 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.173 -4.228 9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.032 -5.443 9.962 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.497 -6.325 12.512 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.212 -7.486 11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.518 -7.581 11.773 1.00 0.00 H new ATOM 216 N ARG A 18 0.587 -8.938 8.439 1.00 0.00 N ATOM 217 CA ARG A 18 -0.350 -9.995 8.099 1.00 0.00 C ATOM 218 C ARG A 18 -1.114 -10.448 9.345 1.00 0.00 C ATOM 219 O ARG A 18 -0.508 -10.777 10.364 1.00 0.00 O ATOM 220 CB ARG A 18 0.373 -11.197 7.489 1.00 0.00 C ATOM 221 CG ARG A 18 -0.452 -11.818 6.360 1.00 0.00 C ATOM 222 CD ARG A 18 -1.317 -12.967 6.881 1.00 0.00 C ATOM 223 NE ARG A 18 -2.206 -13.460 5.806 1.00 0.00 N ATOM 224 CZ ARG A 18 -3.221 -14.314 6.001 1.00 0.00 C ATOM 225 NH1 ARG A 18 -3.481 -14.774 7.233 1.00 0.00 N ATOM 226 NH2 ARG A 18 -3.975 -14.707 4.966 1.00 0.00 N ATOM 0 H ARG A 18 1.570 -9.192 8.343 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.049 -9.594 7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.344 -10.885 7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.560 -11.944 8.261 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.087 -11.056 5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.213 -12.184 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.682 -13.777 7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.912 -12.629 7.730 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.036 -13.129 4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.907 -14.474 8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.253 -15.424 7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.777 -14.357 4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.747 -15.357 5.115 1.00 0.00 H new ATOM 240 N THR A 19 -2.433 -10.450 9.223 1.00 0.00 N ATOM 241 CA THR A 19 -3.286 -10.856 10.327 1.00 0.00 C ATOM 242 C THR A 19 -4.284 -11.920 9.866 1.00 0.00 C ATOM 243 O THR A 19 -4.259 -12.341 8.711 1.00 0.00 O ATOM 244 CB THR A 19 -3.954 -9.602 10.895 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.124 -9.440 10.097 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.142 -8.334 10.628 1.00 0.00 C ATOM 0 H THR A 19 -2.932 -10.177 8.376 1.00 0.00 H new ATOM 0 HA THR A 19 -2.706 -11.322 11.124 1.00 0.00 H new ATOM 0 HB THR A 19 -4.097 -9.722 11.969 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.909 -8.901 9.307 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.661 -7.474 11.052 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.159 -8.428 11.089 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.027 -8.195 9.553 1.00 0.00 H new ATOM 254 N PRO A 20 -5.162 -12.336 10.818 1.00 0.00 N ATOM 255 CA PRO A 20 -6.166 -13.343 10.522 1.00 0.00 C ATOM 256 C PRO A 20 -7.302 -12.755 9.683 1.00 0.00 C ATOM 257 O PRO A 20 -8.146 -13.489 9.171 1.00 0.00 O ATOM 258 CB PRO A 20 -6.629 -13.848 11.878 1.00 0.00 C ATOM 259 CG PRO A 20 -6.211 -12.787 12.883 1.00 0.00 C ATOM 260 CD PRO A 20 -5.220 -11.860 12.197 1.00 0.00 C ATOM 0 HA PRO A 20 -5.774 -14.163 9.919 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.709 -13.995 11.892 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.173 -14.810 12.113 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.079 -12.227 13.231 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.757 -13.249 13.760 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.550 -10.822 12.244 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.241 -11.905 12.673 1.00 0.00 H new ATOM 268 N ARG A 21 -7.287 -11.435 9.568 1.00 0.00 N ATOM 269 CA ARG A 21 -8.305 -10.739 8.800 1.00 0.00 C ATOM 270 C ARG A 21 -7.690 -10.113 7.546 1.00 0.00 C ATOM 271 O ARG A 21 -8.408 -9.645 6.665 1.00 0.00 O ATOM 272 CB ARG A 21 -8.971 -9.643 9.634 1.00 0.00 C ATOM 273 CG ARG A 21 -9.585 -10.222 10.910 1.00 0.00 C ATOM 274 CD ARG A 21 -10.741 -9.351 11.407 1.00 0.00 C ATOM 275 NE ARG A 21 -11.372 -9.975 12.591 1.00 0.00 N ATOM 276 CZ ARG A 21 -12.410 -9.448 13.255 1.00 0.00 C ATOM 277 NH1 ARG A 21 -12.939 -8.283 12.855 1.00 0.00 N ATOM 278 NH2 ARG A 21 -12.918 -10.084 14.319 1.00 0.00 N ATOM 0 H ARG A 21 -6.586 -10.829 9.994 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.060 -11.470 8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.236 -8.881 9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.745 -9.152 9.044 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.943 -11.233 10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.821 -10.295 11.684 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.375 -8.357 11.662 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.479 -9.225 10.615 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.993 -10.862 12.923 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.551 -7.798 12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.729 -7.882 13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.515 -10.970 14.624 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.708 -9.682 14.824 1.00 0.00 H new ATOM 292 N GLY A 22 -6.365 -10.125 7.507 1.00 0.00 N ATOM 293 CA GLY A 22 -5.645 -9.565 6.377 1.00 0.00 C ATOM 294 C GLY A 22 -4.355 -8.881 6.833 1.00 0.00 C ATOM 295 O GLY A 22 -3.970 -8.987 7.997 1.00 0.00 O ATOM 0 H GLY A 22 -5.772 -10.514 8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.409 -10.355 5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.278 -8.846 5.858 1.00 0.00 H new ATOM 299 N VAL A 23 -3.722 -8.194 5.893 1.00 0.00 N ATOM 300 CA VAL A 23 -2.483 -7.493 6.184 1.00 0.00 C ATOM 301 C VAL A 23 -2.759 -5.990 6.263 1.00 0.00 C ATOM 302 O VAL A 23 -3.119 -5.368 5.264 1.00 0.00 O ATOM 303 CB VAL A 23 -1.421 -7.852 5.142 1.00 0.00 C ATOM 304 CG1 VAL A 23 -1.805 -9.125 4.385 1.00 0.00 C ATOM 305 CG2 VAL A 23 -1.185 -6.689 4.177 1.00 0.00 C ATOM 0 H VAL A 23 -4.044 -8.108 4.929 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.087 -7.802 7.151 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.486 -8.045 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.034 -9.358 3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.898 -9.952 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.757 -8.973 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.426 -6.970 3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.115 -6.450 3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.846 -5.816 4.735 1.00 0.00 H new ATOM 315 N LEU A 24 -2.579 -5.450 7.459 1.00 0.00 N ATOM 316 CA LEU A 24 -2.804 -4.031 7.681 1.00 0.00 C ATOM 317 C LEU A 24 -1.553 -3.251 7.274 1.00 0.00 C ATOM 318 O LEU A 24 -0.517 -3.345 7.931 1.00 0.00 O ATOM 319 CB LEU A 24 -3.245 -3.778 9.124 1.00 0.00 C ATOM 320 CG LEU A 24 -4.515 -2.943 9.301 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.938 -2.894 10.770 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.338 -1.544 8.708 1.00 0.00 C ATOM 0 H LEU A 24 -2.280 -5.969 8.285 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.621 -3.672 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.397 -4.741 9.611 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.430 -3.280 9.650 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.322 -3.426 8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.843 -2.294 10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.132 -3.906 11.127 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.140 -2.447 11.364 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.255 -0.971 8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.514 -1.037 9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.119 -1.625 7.643 1.00 0.00 H new ATOM 334 N LEU A 25 -1.689 -2.498 6.192 1.00 0.00 N ATOM 335 CA LEU A 25 -0.582 -1.702 5.690 1.00 0.00 C ATOM 336 C LEU A 25 -0.468 -0.418 6.515 1.00 0.00 C ATOM 337 O LEU A 25 -1.464 0.266 6.747 1.00 0.00 O ATOM 338 CB LEU A 25 -0.737 -1.456 4.188 1.00 0.00 C ATOM 339 CG LEU A 25 -0.390 -2.635 3.277 1.00 0.00 C ATOM 340 CD1 LEU A 25 0.510 -3.640 3.998 1.00 0.00 C ATOM 341 CD2 LEU A 25 -1.657 -3.293 2.725 1.00 0.00 C ATOM 0 H LEU A 25 -2.549 -2.422 5.649 1.00 0.00 H new ATOM 0 HA LEU A 25 0.358 -2.241 5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.768 -1.162 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.107 -0.611 3.911 1.00 0.00 H new ATOM 0 HG LEU A 25 0.173 -2.253 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.741 -4.468 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.435 -3.149 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.004 -4.021 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.382 -4.128 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.267 -3.658 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.225 -2.562 2.149 1.00 0.00 H new ATOM 353 N HIS A 26 0.755 -0.129 6.934 1.00 0.00 N ATOM 354 CA HIS A 26 1.013 1.061 7.728 1.00 0.00 C ATOM 355 C HIS A 26 1.979 1.979 6.977 1.00 0.00 C ATOM 356 O HIS A 26 3.165 1.674 6.857 1.00 0.00 O ATOM 357 CB HIS A 26 1.515 0.685 9.123 1.00 0.00 C ATOM 358 CG HIS A 26 0.746 -0.442 9.770 1.00 0.00 C ATOM 359 ND1 HIS A 26 1.254 -1.193 10.816 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.498 -0.938 9.508 1.00 0.00 C ATOM 361 CE1 HIS A 26 0.348 -2.097 11.160 1.00 0.00 C ATOM 362 NE2 HIS A 26 -0.736 -1.938 10.348 1.00 0.00 N ATOM 0 H HIS A 26 1.579 -0.698 6.739 1.00 0.00 H new ATOM 0 HA HIS A 26 0.084 1.612 7.877 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.566 0.402 9.056 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.462 1.564 9.766 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.170 -1.071 11.248 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.174 -0.578 8.747 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.450 -2.831 11.946 1.00 0.00 H new ATOM 370 N TRP A 27 1.436 3.086 6.491 1.00 0.00 N ATOM 371 CA TRP A 27 2.236 4.051 5.756 1.00 0.00 C ATOM 372 C TRP A 27 2.185 5.381 6.511 1.00 0.00 C ATOM 373 O TRP A 27 1.420 5.529 7.463 1.00 0.00 O ATOM 374 CB TRP A 27 1.758 4.168 4.307 1.00 0.00 C ATOM 375 CG TRP A 27 0.357 4.764 4.159 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.012 6.058 4.110 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.881 4.032 4.043 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.352 6.213 3.971 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.913 4.942 3.929 1.00 0.00 C ATOM 380 CE3 TRP A 27 -1.122 2.647 4.035 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.255 4.566 3.799 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.469 2.288 3.904 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.519 3.192 3.788 1.00 0.00 C ATOM 0 H TRP A 27 0.452 3.336 6.592 1.00 0.00 H new ATOM 0 HA TRP A 27 3.274 3.725 5.695 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.464 4.785 3.751 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.771 3.178 3.850 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.714 6.877 4.172 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.856 7.098 3.910 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.331 1.917 4.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -4.045 5.298 3.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.709 1.235 3.892 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.534 2.835 3.690 1.00 0.00 H new ATOM 394 N ASP A 28 3.009 6.314 6.057 1.00 0.00 N ATOM 395 CA ASP A 28 3.068 7.626 6.678 1.00 0.00 C ATOM 396 C ASP A 28 2.650 8.687 5.658 1.00 0.00 C ATOM 397 O ASP A 28 2.825 8.500 4.455 1.00 0.00 O ATOM 398 CB ASP A 28 4.488 7.952 7.144 1.00 0.00 C ATOM 399 CG ASP A 28 4.684 7.965 8.662 1.00 0.00 C ATOM 400 OD1 ASP A 28 3.809 8.543 9.342 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.704 7.397 9.107 1.00 0.00 O ATOM 0 H ASP A 28 3.641 6.187 5.267 1.00 0.00 H new ATOM 0 HA ASP A 28 2.399 7.622 7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.173 7.223 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.769 8.928 6.748 1.00 0.00 H new ATOM 406 N PRO A 29 2.090 9.807 6.190 1.00 0.00 N ATOM 407 CA PRO A 29 1.646 10.898 5.340 1.00 0.00 C ATOM 408 C PRO A 29 2.836 11.702 4.812 1.00 0.00 C ATOM 409 O PRO A 29 3.853 11.830 5.492 1.00 0.00 O ATOM 410 CB PRO A 29 0.713 11.722 6.212 1.00 0.00 C ATOM 411 CG PRO A 29 1.030 11.331 7.647 1.00 0.00 C ATOM 412 CD PRO A 29 1.867 10.063 7.610 1.00 0.00 C ATOM 0 HA PRO A 29 1.130 10.550 4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.871 12.789 6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.330 11.515 5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.572 12.132 8.150 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.111 11.166 8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.810 10.195 8.141 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.347 9.231 8.085 1.00 0.00 H new ATOM 420 N PRO A 30 2.665 12.236 3.573 1.00 0.00 N ATOM 421 CA PRO A 30 3.713 13.024 2.947 1.00 0.00 C ATOM 422 C PRO A 30 3.800 14.417 3.573 1.00 0.00 C ATOM 423 O PRO A 30 2.822 15.162 3.577 1.00 0.00 O ATOM 424 CB PRO A 30 3.350 13.058 1.471 1.00 0.00 C ATOM 425 CG PRO A 30 1.878 12.687 1.395 1.00 0.00 C ATOM 426 CD PRO A 30 1.474 12.105 2.739 1.00 0.00 C ATOM 0 HA PRO A 30 4.705 12.595 3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.526 14.047 1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.960 12.356 0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.275 13.564 1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.708 11.963 0.599 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.630 12.646 3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.170 11.063 2.644 1.00 0.00 H new ATOM 434 N GLU A 31 4.982 14.726 4.088 1.00 0.00 N ATOM 435 CA GLU A 31 5.210 16.016 4.715 1.00 0.00 C ATOM 436 C GLU A 31 5.437 17.092 3.651 1.00 0.00 C ATOM 437 O GLU A 31 5.418 18.284 3.954 1.00 0.00 O ATOM 438 CB GLU A 31 6.388 15.951 5.690 1.00 0.00 C ATOM 439 CG GLU A 31 6.654 17.320 6.319 1.00 0.00 C ATOM 440 CD GLU A 31 6.924 17.190 7.820 1.00 0.00 C ATOM 441 OE1 GLU A 31 5.928 17.093 8.569 1.00 0.00 O ATOM 442 OE2 GLU A 31 8.120 17.190 8.184 1.00 0.00 O ATOM 0 H GLU A 31 5.791 14.105 4.083 1.00 0.00 H new ATOM 0 HA GLU A 31 4.321 16.282 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.178 15.222 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.280 15.608 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.509 17.789 5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.796 17.972 6.155 1.00 0.00 H new ATOM 449 N LEU A 32 5.648 16.632 2.426 1.00 0.00 N ATOM 450 CA LEU A 32 5.878 17.540 1.316 1.00 0.00 C ATOM 451 C LEU A 32 4.764 17.367 0.282 1.00 0.00 C ATOM 452 O LEU A 32 4.930 16.647 -0.701 1.00 0.00 O ATOM 453 CB LEU A 32 7.283 17.340 0.744 1.00 0.00 C ATOM 454 CG LEU A 32 8.374 18.252 1.310 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.663 18.136 0.496 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.884 19.698 1.406 1.00 0.00 C ATOM 0 H LEU A 32 5.664 15.643 2.178 1.00 0.00 H new ATOM 0 HA LEU A 32 5.840 18.575 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.579 16.305 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.239 17.486 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 32 8.603 17.922 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.421 18.794 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.020 17.106 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.468 18.424 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.678 20.325 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.610 20.056 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.015 19.745 2.062 1.00 0.00 H new ATOM 468 N VAL A 33 3.652 18.041 0.539 1.00 0.00 N ATOM 469 CA VAL A 33 2.510 17.971 -0.357 1.00 0.00 C ATOM 470 C VAL A 33 2.228 19.364 -0.924 1.00 0.00 C ATOM 471 O VAL A 33 2.521 20.371 -0.282 1.00 0.00 O ATOM 472 CB VAL A 33 1.309 17.368 0.373 1.00 0.00 C ATOM 473 CG1 VAL A 33 1.522 17.386 1.888 1.00 0.00 C ATOM 474 CG2 VAL A 33 0.016 18.092 -0.008 1.00 0.00 C ATOM 0 H VAL A 33 3.518 18.638 1.355 1.00 0.00 H new ATOM 0 HA VAL A 33 2.724 17.314 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 33 1.215 16.328 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.653 16.952 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.410 16.805 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.655 18.414 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.823 17.644 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.096 19.145 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.148 18.004 -1.082 1.00 0.00 H new ATOM 484 N PRO A 34 1.646 19.376 -2.153 1.00 0.00 N ATOM 485 CA PRO A 34 1.320 20.628 -2.815 1.00 0.00 C ATOM 486 C PRO A 34 0.085 21.276 -2.185 1.00 0.00 C ATOM 487 O PRO A 34 -0.007 22.500 -2.106 1.00 0.00 O ATOM 488 CB PRO A 34 1.119 20.261 -4.276 1.00 0.00 C ATOM 489 CG PRO A 34 0.881 18.760 -4.299 1.00 0.00 C ATOM 490 CD PRO A 34 1.284 18.203 -2.943 1.00 0.00 C ATOM 0 HA PRO A 34 2.106 21.376 -2.711 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.270 20.798 -4.700 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.994 20.527 -4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.167 18.543 -4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.465 18.293 -5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.464 17.652 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.122 17.512 -3.032 1.00 0.00 H new ATOM 498 N LYS A 35 -0.835 20.425 -1.754 1.00 0.00 N ATOM 499 CA LYS A 35 -2.061 20.899 -1.135 1.00 0.00 C ATOM 500 C LYS A 35 -2.713 19.750 -0.362 1.00 0.00 C ATOM 501 O LYS A 35 -2.286 19.419 0.743 1.00 0.00 O ATOM 502 CB LYS A 35 -2.978 21.536 -2.180 1.00 0.00 C ATOM 503 CG LYS A 35 -2.626 23.009 -2.394 1.00 0.00 C ATOM 504 CD LYS A 35 -3.890 23.863 -2.519 1.00 0.00 C ATOM 505 CE LYS A 35 -3.547 25.290 -2.950 1.00 0.00 C ATOM 506 NZ LYS A 35 -4.179 26.272 -2.040 1.00 0.00 N ATOM 0 H LYS A 35 -0.756 19.410 -1.821 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.844 21.687 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.890 20.997 -3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.016 21.449 -1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.022 23.367 -1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.021 23.115 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.567 23.413 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.415 23.884 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.466 25.427 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.888 25.460 -3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.936 27.236 -2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.212 26.151 -2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.834 26.120 -1.071 1.00 0.00 H new ATOM 520 N ARG A 36 -3.738 19.175 -0.974 1.00 0.00 N ATOM 521 CA ARG A 36 -4.454 18.071 -0.357 1.00 0.00 C ATOM 522 C ARG A 36 -4.206 16.777 -1.135 1.00 0.00 C ATOM 523 O ARG A 36 -4.044 16.803 -2.354 1.00 0.00 O ATOM 524 CB ARG A 36 -5.957 18.348 -0.308 1.00 0.00 C ATOM 525 CG ARG A 36 -6.380 18.836 1.079 1.00 0.00 C ATOM 526 CD ARG A 36 -7.822 18.430 1.388 1.00 0.00 C ATOM 527 NE ARG A 36 -8.200 18.893 2.742 1.00 0.00 N ATOM 528 CZ ARG A 36 -9.368 18.608 3.334 1.00 0.00 C ATOM 529 NH1 ARG A 36 -10.279 17.861 2.696 1.00 0.00 N ATOM 530 NH2 ARG A 36 -9.625 19.071 4.565 1.00 0.00 N ATOM 0 H ARG A 36 -4.090 19.453 -1.890 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.083 17.963 0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.217 19.097 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.506 17.441 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.712 18.421 1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.285 19.921 1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.496 18.859 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.925 17.347 1.323 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.530 19.465 3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.084 17.509 1.759 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.168 17.645 3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.932 19.640 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.514 18.854 5.016 1.00 0.00 H new ATOM 544 N LEU A 37 -4.183 15.676 -0.398 1.00 0.00 N ATOM 545 CA LEU A 37 -3.957 14.375 -1.004 1.00 0.00 C ATOM 546 C LEU A 37 -5.255 13.885 -1.649 1.00 0.00 C ATOM 547 O LEU A 37 -6.286 13.791 -0.984 1.00 0.00 O ATOM 548 CB LEU A 37 -3.375 13.400 0.022 1.00 0.00 C ATOM 549 CG LEU A 37 -2.102 12.663 -0.401 1.00 0.00 C ATOM 550 CD1 LEU A 37 -0.998 12.832 0.644 1.00 0.00 C ATOM 551 CD2 LEU A 37 -2.394 11.190 -0.694 1.00 0.00 C ATOM 0 H LEU A 37 -4.317 15.658 0.613 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.214 14.449 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.165 13.951 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.137 12.659 0.263 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.739 13.110 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.105 12.299 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.766 13.891 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.335 12.427 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.473 10.689 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.793 10.713 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.124 11.117 -1.500 1.00 0.00 H new ATOM 563 N ASP A 38 -5.163 13.586 -2.936 1.00 0.00 N ATOM 564 CA ASP A 38 -6.317 13.109 -3.678 1.00 0.00 C ATOM 565 C ASP A 38 -6.590 11.650 -3.306 1.00 0.00 C ATOM 566 O ASP A 38 -7.715 11.172 -3.438 1.00 0.00 O ATOM 567 CB ASP A 38 -6.068 13.173 -5.187 1.00 0.00 C ATOM 568 CG ASP A 38 -6.690 14.379 -5.894 1.00 0.00 C ATOM 569 OD1 ASP A 38 -6.788 15.436 -5.234 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.054 14.216 -7.079 1.00 0.00 O ATOM 0 H ASP A 38 -4.306 13.665 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.166 13.745 -3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.992 13.183 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.457 12.263 -5.643 1.00 0.00 H new ATOM 575 N GLY A 39 -5.540 10.983 -2.849 1.00 0.00 N ATOM 576 CA GLY A 39 -5.652 9.589 -2.457 1.00 0.00 C ATOM 577 C GLY A 39 -4.440 8.786 -2.935 1.00 0.00 C ATOM 578 O GLY A 39 -3.788 9.160 -3.908 1.00 0.00 O ATOM 0 H GLY A 39 -4.608 11.383 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.735 9.518 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.564 9.162 -2.875 1.00 0.00 H new ATOM 582 N TYR A 40 -4.176 7.697 -2.228 1.00 0.00 N ATOM 583 CA TYR A 40 -3.054 6.838 -2.568 1.00 0.00 C ATOM 584 C TYR A 40 -3.510 5.651 -3.419 1.00 0.00 C ATOM 585 O TYR A 40 -4.698 5.506 -3.701 1.00 0.00 O ATOM 586 CB TYR A 40 -2.505 6.316 -1.239 1.00 0.00 C ATOM 587 CG TYR A 40 -2.119 7.417 -0.249 1.00 0.00 C ATOM 588 CD1 TYR A 40 -3.096 8.060 0.483 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.793 7.767 -0.089 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.732 9.096 1.415 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.430 8.803 0.842 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.417 9.417 1.548 1.00 0.00 C ATOM 593 OH TYR A 40 -1.074 10.396 2.428 1.00 0.00 O ATOM 0 H TYR A 40 -4.719 7.390 -1.421 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.308 7.389 -3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.253 5.672 -0.777 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.630 5.697 -1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.133 7.787 0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.028 7.264 -0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.486 9.607 1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.603 9.086 0.977 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.753 9.990 3.260 1.00 0.00 H new ATOM 603 N VAL A 41 -2.541 4.834 -3.805 1.00 0.00 N ATOM 604 CA VAL A 41 -2.828 3.664 -4.618 1.00 0.00 C ATOM 605 C VAL A 41 -1.982 2.487 -4.128 1.00 0.00 C ATOM 606 O VAL A 41 -0.777 2.443 -4.368 1.00 0.00 O ATOM 607 CB VAL A 41 -2.604 3.988 -6.097 1.00 0.00 C ATOM 608 CG1 VAL A 41 -1.329 4.811 -6.291 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.565 2.710 -6.937 1.00 0.00 C ATOM 0 H VAL A 41 -1.556 4.959 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.874 3.375 -4.517 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.446 4.589 -6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.193 5.028 -7.351 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.412 5.746 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.472 4.246 -5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.405 2.967 -7.984 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.751 2.072 -6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.511 2.178 -6.835 1.00 0.00 H new ATOM 619 N LEU A 42 -2.647 1.563 -3.451 1.00 0.00 N ATOM 620 CA LEU A 42 -1.971 0.389 -2.926 1.00 0.00 C ATOM 621 C LEU A 42 -1.757 -0.620 -4.056 1.00 0.00 C ATOM 622 O LEU A 42 -2.708 -1.013 -4.730 1.00 0.00 O ATOM 623 CB LEU A 42 -2.738 -0.180 -1.730 1.00 0.00 C ATOM 624 CG LEU A 42 -2.020 -1.270 -0.931 1.00 0.00 C ATOM 625 CD1 LEU A 42 -0.597 -0.838 -0.570 1.00 0.00 C ATOM 626 CD2 LEU A 42 -2.830 -1.665 0.306 1.00 0.00 C ATOM 0 H LEU A 42 -3.647 1.603 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.985 0.655 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.978 0.640 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.684 -0.584 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.937 -2.157 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.109 -1.631 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.033 -0.645 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.634 0.070 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.298 -2.441 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.965 -0.793 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.805 -2.042 -0.003 1.00 0.00 H new ATOM 638 N GLU A 43 -0.503 -1.010 -4.228 1.00 0.00 N ATOM 639 CA GLU A 43 -0.152 -1.965 -5.265 1.00 0.00 C ATOM 640 C GLU A 43 0.656 -3.120 -4.671 1.00 0.00 C ATOM 641 O GLU A 43 1.757 -2.915 -4.162 1.00 0.00 O ATOM 642 CB GLU A 43 0.616 -1.285 -6.400 1.00 0.00 C ATOM 643 CG GLU A 43 -0.313 -0.957 -7.571 1.00 0.00 C ATOM 644 CD GLU A 43 0.221 0.227 -8.380 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.859 1.100 -7.754 1.00 0.00 O ATOM 646 OE2 GLU A 43 -0.020 0.231 -9.607 1.00 0.00 O ATOM 0 H GLU A 43 0.283 -0.682 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.073 -2.370 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.081 -0.370 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.421 -1.936 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.411 -1.829 -8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.310 -0.725 -7.195 1.00 0.00 H new ATOM 653 N GLY A 44 0.079 -4.310 -4.757 1.00 0.00 N ATOM 654 CA GLY A 44 0.733 -5.498 -4.234 1.00 0.00 C ATOM 655 C GLY A 44 0.970 -6.525 -5.342 1.00 0.00 C ATOM 656 O GLY A 44 0.634 -6.284 -6.501 1.00 0.00 O ATOM 0 H GLY A 44 -0.834 -4.477 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.684 -5.223 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.119 -5.940 -3.449 1.00 0.00 H new ATOM 660 N ARG A 45 1.549 -7.650 -4.948 1.00 0.00 N ATOM 661 CA ARG A 45 1.835 -8.716 -5.894 1.00 0.00 C ATOM 662 C ARG A 45 2.623 -9.835 -5.210 1.00 0.00 C ATOM 663 O ARG A 45 3.340 -9.591 -4.241 1.00 0.00 O ATOM 664 CB ARG A 45 2.638 -8.192 -7.087 1.00 0.00 C ATOM 665 CG ARG A 45 3.938 -7.531 -6.625 1.00 0.00 C ATOM 666 CD ARG A 45 4.950 -7.454 -7.770 1.00 0.00 C ATOM 667 NE ARG A 45 6.322 -7.344 -7.225 1.00 0.00 N ATOM 668 CZ ARG A 45 7.431 -7.634 -7.919 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.337 -8.052 -9.189 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.635 -7.505 -7.344 1.00 0.00 N ATOM 0 H ARG A 45 1.828 -7.847 -3.987 1.00 0.00 H new ATOM 0 HA ARG A 45 0.882 -9.105 -6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.865 -9.014 -7.766 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.039 -7.473 -7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.728 -6.528 -6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.363 -8.097 -5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.869 -8.341 -8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.731 -6.594 -8.403 1.00 0.00 H new ATOM 0 HE ARG A 45 6.430 -7.028 -6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.421 -8.149 -9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.181 -8.273 -9.717 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.707 -7.186 -6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.479 -7.726 -7.873 1.00 0.00 H new ATOM 684 N GLN A 46 2.463 -11.038 -5.741 1.00 0.00 N ATOM 685 CA GLN A 46 3.150 -12.195 -5.194 1.00 0.00 C ATOM 686 C GLN A 46 4.519 -12.362 -5.856 1.00 0.00 C ATOM 687 O GLN A 46 4.698 -12.004 -7.020 1.00 0.00 O ATOM 688 CB GLN A 46 2.306 -13.461 -5.355 1.00 0.00 C ATOM 689 CG GLN A 46 0.897 -13.256 -4.794 1.00 0.00 C ATOM 690 CD GLN A 46 -0.136 -13.180 -5.921 1.00 0.00 C ATOM 691 OE1 GLN A 46 -1.076 -14.118 -5.856 1.00 0.00 O flip ATOM 692 NE2 GLN A 46 -0.082 -12.326 -6.790 1.00 0.00 N flip ATOM 0 H GLN A 46 1.867 -11.236 -6.545 1.00 0.00 H new ATOM 0 HA GLN A 46 3.301 -12.032 -4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.246 -13.730 -6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.789 -14.292 -4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.647 -14.076 -4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.866 -12.339 -4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.668 -11.635 -6.780 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.787 -12.303 -7.527 1.00 0.00 H new ATOM 736 N GLY A 50 2.532 -9.686 -11.412 1.00 0.00 N ATOM 737 CA GLY A 50 2.182 -8.371 -11.919 1.00 0.00 C ATOM 738 C GLY A 50 1.642 -7.478 -10.800 1.00 0.00 C ATOM 739 O GLY A 50 0.862 -7.929 -9.962 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.059 -7.906 -12.369 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.433 -8.468 -12.705 1.00 0.00 H new ATOM 743 N TRP A 51 2.078 -6.227 -10.822 1.00 0.00 N ATOM 744 CA TRP A 51 1.648 -5.267 -9.820 1.00 0.00 C ATOM 745 C TRP A 51 0.137 -5.075 -9.967 1.00 0.00 C ATOM 746 O TRP A 51 -0.318 -4.362 -10.860 1.00 0.00 O ATOM 747 CB TRP A 51 2.431 -3.958 -9.942 1.00 0.00 C ATOM 748 CG TRP A 51 3.830 -4.010 -9.324 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.012 -3.977 -9.953 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.145 -4.106 -7.919 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.062 -4.045 -9.061 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.519 -4.126 -7.784 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.298 -4.174 -6.799 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.166 -4.213 -6.546 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.961 -4.261 -5.568 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.343 -4.282 -5.416 1.00 0.00 C ATOM 0 H TRP A 51 2.725 -5.856 -11.518 1.00 0.00 H new ATOM 0 HA TRP A 51 1.856 -5.638 -8.817 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.520 -3.697 -10.996 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.863 -3.161 -9.463 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.128 -3.906 -11.024 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.055 -4.037 -9.295 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.221 -4.160 -6.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.243 -4.226 -6.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.357 -4.316 -4.675 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.779 -4.351 -4.431 1.00 0.00 H new ATOM 767 N GLU A 52 -0.599 -5.723 -9.076 1.00 0.00 N ATOM 768 CA GLU A 52 -2.049 -5.633 -9.095 1.00 0.00 C ATOM 769 C GLU A 52 -2.521 -4.489 -8.195 1.00 0.00 C ATOM 770 O GLU A 52 -2.295 -4.513 -6.986 1.00 0.00 O ATOM 771 CB GLU A 52 -2.687 -6.959 -8.677 1.00 0.00 C ATOM 772 CG GLU A 52 -2.547 -7.184 -7.170 1.00 0.00 C ATOM 773 CD GLU A 52 -2.410 -8.673 -6.848 1.00 0.00 C ATOM 774 OE1 GLU A 52 -3.467 -9.308 -6.640 1.00 0.00 O ATOM 775 OE2 GLU A 52 -1.253 -9.143 -6.816 1.00 0.00 O ATOM 0 H GLU A 52 -0.218 -6.313 -8.336 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.367 -5.422 -10.116 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.742 -6.962 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.215 -7.780 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.675 -6.646 -6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.417 -6.776 -6.655 1.00 0.00 H new ATOM 782 N VAL A 53 -3.169 -3.516 -8.819 1.00 0.00 N ATOM 783 CA VAL A 53 -3.675 -2.366 -8.089 1.00 0.00 C ATOM 784 C VAL A 53 -4.732 -2.830 -7.085 1.00 0.00 C ATOM 785 O VAL A 53 -5.856 -3.151 -7.465 1.00 0.00 O ATOM 786 CB VAL A 53 -4.202 -1.315 -9.069 1.00 0.00 C ATOM 787 CG1 VAL A 53 -4.990 -0.229 -8.335 1.00 0.00 C ATOM 788 CG2 VAL A 53 -3.060 -0.708 -9.887 1.00 0.00 C ATOM 0 H VAL A 53 -3.355 -3.500 -9.822 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.875 -1.891 -7.522 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.882 -1.812 -9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.353 0.505 -9.054 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.837 -0.680 -7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.342 0.263 -7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.461 0.036 -10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.344 -0.233 -9.216 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.560 -1.494 -10.453 1.00 0.00 H new ATOM 798 N LEU A 54 -4.332 -2.850 -5.821 1.00 0.00 N ATOM 799 CA LEU A 54 -5.231 -3.269 -4.759 1.00 0.00 C ATOM 800 C LEU A 54 -6.336 -2.225 -4.591 1.00 0.00 C ATOM 801 O LEU A 54 -7.520 -2.560 -4.608 1.00 0.00 O ATOM 802 CB LEU A 54 -4.448 -3.549 -3.475 1.00 0.00 C ATOM 803 CG LEU A 54 -3.163 -4.363 -3.636 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.670 -4.883 -2.284 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.353 -5.493 -4.650 1.00 0.00 C ATOM 0 H LEU A 54 -3.398 -2.583 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.718 -4.209 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.194 -2.595 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.103 -4.075 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.389 -3.704 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.755 -5.458 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.469 -4.041 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.434 -5.521 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.425 -6.056 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.147 -6.158 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.623 -5.071 -5.618 1.00 0.00 H new ATOM 817 N ASP A 55 -5.911 -0.980 -4.431 1.00 0.00 N ATOM 818 CA ASP A 55 -6.850 0.115 -4.260 1.00 0.00 C ATOM 819 C ASP A 55 -6.169 1.430 -4.646 1.00 0.00 C ATOM 820 O ASP A 55 -5.390 1.981 -3.870 1.00 0.00 O ATOM 821 CB ASP A 55 -7.304 0.228 -2.803 1.00 0.00 C ATOM 822 CG ASP A 55 -8.820 0.286 -2.601 1.00 0.00 C ATOM 823 OD1 ASP A 55 -9.448 -0.789 -2.710 1.00 0.00 O ATOM 824 OD2 ASP A 55 -9.316 1.404 -2.343 1.00 0.00 O ATOM 0 H ASP A 55 -4.929 -0.706 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.715 -0.080 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.911 -0.624 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.860 1.123 -2.368 1.00 0.00 H new ATOM 829 N PRO A 56 -6.497 1.907 -5.877 1.00 0.00 N ATOM 830 CA PRO A 56 -5.926 3.146 -6.376 1.00 0.00 C ATOM 831 C PRO A 56 -6.568 4.358 -5.697 1.00 0.00 C ATOM 832 O PRO A 56 -6.000 5.449 -5.699 1.00 0.00 O ATOM 833 CB PRO A 56 -6.161 3.112 -7.877 1.00 0.00 C ATOM 834 CG PRO A 56 -7.258 2.085 -8.103 1.00 0.00 C ATOM 835 CD PRO A 56 -7.415 1.281 -6.823 1.00 0.00 C ATOM 0 HA PRO A 56 -4.862 3.238 -6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.461 4.092 -8.248 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.251 2.835 -8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.195 2.578 -8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.002 1.430 -8.936 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.442 1.313 -6.459 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.166 0.232 -6.981 1.00 0.00 H new ATOM 843 N ALA A 57 -7.745 4.126 -5.134 1.00 0.00 N ATOM 844 CA ALA A 57 -8.471 5.184 -4.454 1.00 0.00 C ATOM 845 C ALA A 57 -8.421 4.942 -2.944 1.00 0.00 C ATOM 846 O ALA A 57 -9.227 4.184 -2.406 1.00 0.00 O ATOM 847 CB ALA A 57 -9.904 5.246 -4.987 1.00 0.00 C ATOM 0 H ALA A 57 -8.214 3.220 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.009 6.152 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.448 6.040 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.885 5.449 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.401 4.292 -4.807 1.00 0.00 H new ATOM 853 N VAL A 58 -7.467 5.601 -2.302 1.00 0.00 N ATOM 854 CA VAL A 58 -7.302 5.467 -0.865 1.00 0.00 C ATOM 855 C VAL A 58 -7.307 6.855 -0.224 1.00 0.00 C ATOM 856 O VAL A 58 -6.463 7.693 -0.540 1.00 0.00 O ATOM 857 CB VAL A 58 -6.032 4.671 -0.557 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.776 4.609 0.951 1.00 0.00 C ATOM 859 CG2 VAL A 58 -6.106 3.266 -1.158 1.00 0.00 C ATOM 0 H VAL A 58 -6.801 6.229 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.133 4.908 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.192 5.189 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.868 4.038 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.658 5.620 1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.620 4.125 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.191 2.722 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.961 2.735 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.219 3.338 -2.240 1.00 0.00 H new ATOM 869 N ALA A 59 -8.268 7.057 0.666 1.00 0.00 N ATOM 870 CA ALA A 59 -8.395 8.331 1.355 1.00 0.00 C ATOM 871 C ALA A 59 -7.022 9.002 1.433 1.00 0.00 C ATOM 872 O ALA A 59 -6.021 8.345 1.716 1.00 0.00 O ATOM 873 CB ALA A 59 -9.013 8.105 2.736 1.00 0.00 C ATOM 0 H ALA A 59 -8.966 6.360 0.926 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.058 9.000 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.108 9.060 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.999 7.653 2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.373 7.441 3.317 1.00 0.00 H new ATOM 879 N GLY A 60 -7.019 10.302 1.178 1.00 0.00 N ATOM 880 CA GLY A 60 -5.785 11.069 1.216 1.00 0.00 C ATOM 881 C GLY A 60 -5.416 11.442 2.653 1.00 0.00 C ATOM 882 O GLY A 60 -4.523 12.258 2.876 1.00 0.00 O ATOM 0 H GLY A 60 -7.851 10.844 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.978 10.489 0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.896 11.974 0.619 1.00 0.00 H new ATOM 886 N THR A 61 -6.122 10.827 3.590 1.00 0.00 N ATOM 887 CA THR A 61 -5.879 11.084 5.000 1.00 0.00 C ATOM 888 C THR A 61 -5.645 9.771 5.749 1.00 0.00 C ATOM 889 O THR A 61 -5.430 9.772 6.960 1.00 0.00 O ATOM 890 CB THR A 61 -7.060 11.891 5.543 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.194 11.068 5.279 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.324 13.161 4.732 1.00 0.00 C ATOM 0 H THR A 61 -6.862 10.151 3.401 1.00 0.00 H new ATOM 0 HA THR A 61 -4.971 11.670 5.145 1.00 0.00 H new ATOM 0 HB THR A 61 -6.870 12.158 6.583 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.005 11.515 5.601 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.172 13.696 5.160 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.441 13.800 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.547 12.893 3.699 1.00 0.00 H new ATOM 900 N GLU A 62 -5.694 8.681 4.997 1.00 0.00 N ATOM 901 CA GLU A 62 -5.490 7.363 5.575 1.00 0.00 C ATOM 902 C GLU A 62 -4.002 7.124 5.838 1.00 0.00 C ATOM 903 O GLU A 62 -3.148 7.700 5.165 1.00 0.00 O ATOM 904 CB GLU A 62 -6.069 6.273 4.671 1.00 0.00 C ATOM 905 CG GLU A 62 -7.593 6.209 4.796 1.00 0.00 C ATOM 906 CD GLU A 62 -8.009 5.561 6.118 1.00 0.00 C ATOM 907 OE1 GLU A 62 -8.056 6.302 7.123 1.00 0.00 O ATOM 908 OE2 GLU A 62 -8.270 4.339 6.093 1.00 0.00 O ATOM 0 H GLU A 62 -5.872 8.683 3.993 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.019 7.319 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.794 6.470 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.638 5.308 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.009 7.215 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.006 5.641 3.963 1.00 0.00 H new ATOM 915 N THR A 63 -3.737 6.274 6.819 1.00 0.00 N ATOM 916 CA THR A 63 -2.366 5.951 7.179 1.00 0.00 C ATOM 917 C THR A 63 -2.152 4.437 7.159 1.00 0.00 C ATOM 918 O THR A 63 -1.060 3.957 7.460 1.00 0.00 O ATOM 919 CB THR A 63 -2.073 6.589 8.539 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.323 6.541 9.222 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.765 8.083 8.431 1.00 0.00 C ATOM 0 H THR A 63 -4.448 5.799 7.376 1.00 0.00 H new ATOM 0 HA THR A 63 -1.660 6.356 6.454 1.00 0.00 H new ATOM 0 HB THR A 63 -1.231 6.078 9.005 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.396 5.695 9.711 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.565 8.486 9.424 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.891 8.229 7.797 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.620 8.600 7.995 1.00 0.00 H new ATOM 929 N GLU A 64 -3.211 3.726 6.802 1.00 0.00 N ATOM 930 CA GLU A 64 -3.153 2.275 6.738 1.00 0.00 C ATOM 931 C GLU A 64 -4.383 1.726 6.013 1.00 0.00 C ATOM 932 O GLU A 64 -5.353 2.449 5.793 1.00 0.00 O ATOM 933 CB GLU A 64 -3.025 1.670 8.138 1.00 0.00 C ATOM 934 CG GLU A 64 -3.882 2.438 9.147 1.00 0.00 C ATOM 935 CD GLU A 64 -3.020 3.006 10.277 1.00 0.00 C ATOM 936 OE1 GLU A 64 -2.235 3.933 9.981 1.00 0.00 O ATOM 937 OE2 GLU A 64 -3.166 2.501 11.411 1.00 0.00 O ATOM 0 H GLU A 64 -4.115 4.128 6.554 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.266 1.990 6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.332 0.624 8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.982 1.689 8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.406 3.249 8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.642 1.776 9.562 1.00 0.00 H new ATOM 944 N LEU A 65 -4.302 0.451 5.662 1.00 0.00 N ATOM 945 CA LEU A 65 -5.397 -0.204 4.966 1.00 0.00 C ATOM 946 C LEU A 65 -5.241 -1.721 5.093 1.00 0.00 C ATOM 947 O LEU A 65 -4.130 -2.224 5.251 1.00 0.00 O ATOM 948 CB LEU A 65 -5.481 0.286 3.519 1.00 0.00 C ATOM 949 CG LEU A 65 -6.396 -0.517 2.591 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.847 -0.051 2.714 1.00 0.00 C ATOM 951 CD2 LEU A 65 -5.896 -0.461 1.146 1.00 0.00 C ATOM 0 H LEU A 65 -3.496 -0.146 5.846 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.351 0.059 5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.822 1.321 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.476 0.284 3.097 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.366 -1.561 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.476 -0.638 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.187 -0.185 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.915 1.003 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.564 -1.039 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.877 0.575 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.891 -0.879 1.092 1.00 0.00 H new ATOM 963 N LEU A 66 -6.372 -2.408 5.021 1.00 0.00 N ATOM 964 CA LEU A 66 -6.376 -3.857 5.126 1.00 0.00 C ATOM 965 C LEU A 66 -6.459 -4.466 3.725 1.00 0.00 C ATOM 966 O LEU A 66 -7.195 -3.971 2.872 1.00 0.00 O ATOM 967 CB LEU A 66 -7.489 -4.323 6.066 1.00 0.00 C ATOM 968 CG LEU A 66 -7.393 -5.770 6.553 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.600 -5.859 7.858 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.783 -6.398 6.683 1.00 0.00 C ATOM 0 H LEU A 66 -7.292 -1.987 4.891 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.446 -4.209 5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.500 -3.667 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.445 -4.194 5.558 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.847 -6.346 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.547 -6.899 8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.592 -5.477 7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.095 -5.265 8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.686 -7.427 7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.375 -5.827 7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.279 -6.388 5.712 1.00 0.00 H new ATOM 982 N VAL A 67 -5.694 -5.530 3.530 1.00 0.00 N ATOM 983 CA VAL A 67 -5.672 -6.211 2.247 1.00 0.00 C ATOM 984 C VAL A 67 -5.671 -7.724 2.477 1.00 0.00 C ATOM 985 O VAL A 67 -4.612 -8.348 2.517 1.00 0.00 O ATOM 986 CB VAL A 67 -4.478 -5.732 1.420 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.400 -6.476 0.086 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.535 -4.219 1.201 1.00 0.00 C ATOM 0 H VAL A 67 -5.085 -5.937 4.239 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.566 -5.970 1.672 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.571 -5.956 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.542 -6.116 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.290 -7.544 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.312 -6.299 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.675 -3.904 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.452 -3.962 0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.519 -3.711 2.165 1.00 0.00 H new ATOM 998 N PRO A 68 -6.901 -8.284 2.627 1.00 0.00 N ATOM 999 CA PRO A 68 -7.052 -9.711 2.853 1.00 0.00 C ATOM 1000 C PRO A 68 -6.813 -10.498 1.563 1.00 0.00 C ATOM 1001 O PRO A 68 -6.509 -11.689 1.605 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.461 -9.877 3.397 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.206 -8.606 3.021 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.177 -7.575 2.586 1.00 0.00 C ATOM 0 HA PRO A 68 -6.319 -10.105 3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.944 -10.755 2.968 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.448 -10.017 4.478 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.914 -8.802 2.216 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.782 -8.236 3.869 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.390 -7.201 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.173 -6.714 3.254 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.959 -9.800 0.446 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.763 -10.419 -0.854 1.00 0.00 C ATOM 1014 C GLY A 69 -5.635 -11.452 -0.805 1.00 0.00 C ATOM 1015 O GLY A 69 -5.763 -12.542 -1.360 1.00 0.00 O ATOM 0 H GLY A 69 -7.211 -8.812 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.687 -10.899 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.528 -9.654 -1.594 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.557 -11.072 -0.136 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.407 -11.951 -0.008 1.00 0.00 C ATOM 1021 C LEU A 70 -3.891 -13.386 0.215 1.00 0.00 C ATOM 1022 O LEU A 70 -5.027 -13.604 0.632 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.464 -11.444 1.084 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.168 -9.943 1.070 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.800 -9.647 1.687 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.295 -9.372 -0.343 1.00 0.00 C ATOM 0 H LEU A 70 -4.455 -10.167 0.323 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.822 -11.950 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.891 -11.701 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.519 -11.981 0.999 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.914 -9.443 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.615 -8.573 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.783 -9.996 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.025 -10.161 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.079 -8.304 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.587 -9.874 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.309 -9.531 -0.710 1.00 0.00 H new ATOM 1038 N ILE A 71 -3.003 -14.327 -0.072 1.00 0.00 N ATOM 1039 CA ILE A 71 -3.325 -15.734 0.093 1.00 0.00 C ATOM 1040 C ILE A 71 -2.434 -16.333 1.183 1.00 0.00 C ATOM 1041 O ILE A 71 -1.983 -15.623 2.080 1.00 0.00 O ATOM 1042 CB ILE A 71 -3.232 -16.465 -1.248 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.504 -15.511 -2.413 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -4.158 -17.682 -1.275 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.995 -15.183 -2.516 1.00 0.00 C ATOM 0 H ILE A 71 -2.061 -14.142 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.357 -15.852 0.424 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.213 -16.834 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.934 -14.592 -2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.162 -15.962 -3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.072 -18.183 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.875 -18.373 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.188 -17.359 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.161 -14.503 -3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.559 -16.101 -2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.328 -14.710 -1.592 1.00 0.00 H new ATOM 1057 N LYS A 72 -2.207 -17.633 1.069 1.00 0.00 N ATOM 1058 CA LYS A 72 -1.378 -18.335 2.034 1.00 0.00 C ATOM 1059 C LYS A 72 -0.299 -19.127 1.292 1.00 0.00 C ATOM 1060 O LYS A 72 -0.578 -19.765 0.278 1.00 0.00 O ATOM 1061 CB LYS A 72 -2.243 -19.193 2.959 1.00 0.00 C ATOM 1062 CG LYS A 72 -2.494 -18.482 4.290 1.00 0.00 C ATOM 1063 CD LYS A 72 -3.775 -18.994 4.952 1.00 0.00 C ATOM 1064 CE LYS A 72 -4.986 -18.168 4.515 1.00 0.00 C ATOM 1065 NZ LYS A 72 -5.728 -17.671 5.695 1.00 0.00 N ATOM 0 H LYS A 72 -2.583 -18.219 0.323 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.864 -17.625 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.194 -19.411 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.751 -20.149 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.647 -18.642 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.571 -17.408 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.931 -20.041 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.671 -18.949 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.659 -17.327 3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.644 -18.776 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.547 -17.112 5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.057 -18.478 6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.102 -17.073 6.272 1.00 0.00 H new ATOM 1079 N ASP A 73 0.912 -19.060 1.826 1.00 0.00 N ATOM 1080 CA ASP A 73 2.034 -19.762 1.228 1.00 0.00 C ATOM 1081 C ASP A 73 2.614 -18.915 0.094 1.00 0.00 C ATOM 1082 O ASP A 73 3.310 -19.432 -0.779 1.00 0.00 O ATOM 1083 CB ASP A 73 1.593 -21.103 0.638 1.00 0.00 C ATOM 1084 CG ASP A 73 2.614 -22.235 0.772 1.00 0.00 C ATOM 1085 OD1 ASP A 73 2.963 -22.551 1.930 1.00 0.00 O ATOM 1086 OD2 ASP A 73 3.022 -22.759 -0.287 1.00 0.00 O ATOM 0 H ASP A 73 1.140 -18.530 2.667 1.00 0.00 H new ATOM 0 HA ASP A 73 2.776 -19.937 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.667 -21.410 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.367 -20.961 -0.419 1.00 0.00 H new ATOM 1091 N VAL A 74 2.306 -17.627 0.143 1.00 0.00 N ATOM 1092 CA VAL A 74 2.789 -16.703 -0.869 1.00 0.00 C ATOM 1093 C VAL A 74 3.274 -15.419 -0.192 1.00 0.00 C ATOM 1094 O VAL A 74 2.864 -15.110 0.925 1.00 0.00 O ATOM 1095 CB VAL A 74 1.697 -16.453 -1.912 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.329 -17.747 -2.641 1.00 0.00 C ATOM 1097 CG2 VAL A 74 0.463 -15.814 -1.272 1.00 0.00 C ATOM 0 H VAL A 74 1.728 -17.202 0.868 1.00 0.00 H new ATOM 0 HA VAL A 74 3.638 -17.130 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 74 2.092 -15.754 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.551 -17.542 -3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.210 -18.143 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.963 -18.479 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.297 -15.647 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.067 -16.478 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.739 -14.861 -0.821 1.00 0.00 H new ATOM 1107 N LEU A 75 4.140 -14.707 -0.898 1.00 0.00 N ATOM 1108 CA LEU A 75 4.686 -13.465 -0.379 1.00 0.00 C ATOM 1109 C LEU A 75 4.180 -12.297 -1.229 1.00 0.00 C ATOM 1110 O LEU A 75 4.761 -11.982 -2.267 1.00 0.00 O ATOM 1111 CB LEU A 75 6.211 -13.545 -0.290 1.00 0.00 C ATOM 1112 CG LEU A 75 6.897 -12.423 0.493 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.058 -11.144 0.466 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.219 -12.869 1.920 1.00 0.00 C ATOM 0 H LEU A 75 4.477 -14.967 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 75 4.340 -13.293 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.479 -14.497 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.614 -13.554 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 75 7.845 -12.195 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.568 -10.363 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.924 -10.819 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.084 -11.338 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.706 -12.054 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.296 -13.140 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.884 -13.732 1.890 1.00 0.00 H new ATOM 1126 N TYR A 76 3.103 -11.686 -0.757 1.00 0.00 N ATOM 1127 CA TYR A 76 2.513 -10.560 -1.460 1.00 0.00 C ATOM 1128 C TYR A 76 3.222 -9.254 -1.097 1.00 0.00 C ATOM 1129 O TYR A 76 3.516 -9.007 0.071 1.00 0.00 O ATOM 1130 CB TYR A 76 1.059 -10.485 -0.990 1.00 0.00 C ATOM 1131 CG TYR A 76 0.051 -11.055 -1.990 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.134 -12.419 -2.082 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.674 -10.204 -2.801 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -1.082 -12.956 -3.023 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.622 -10.741 -3.742 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.780 -12.090 -3.807 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.676 -12.597 -4.696 1.00 0.00 O ATOM 0 H TYR A 76 2.624 -11.950 0.104 1.00 0.00 H new ATOM 0 HA TYR A 76 2.598 -10.694 -2.538 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.964 -11.024 -0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.806 -9.444 -0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.433 -13.084 -1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.530 -9.136 -2.729 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.236 -14.022 -3.105 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.195 -10.087 -4.382 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.363 -13.469 -5.014 1.00 0.00 H new ATOM 1147 N GLU A 77 3.476 -8.452 -2.121 1.00 0.00 N ATOM 1148 CA GLU A 77 4.146 -7.177 -1.924 1.00 0.00 C ATOM 1149 C GLU A 77 3.117 -6.052 -1.794 1.00 0.00 C ATOM 1150 O GLU A 77 1.914 -6.293 -1.878 1.00 0.00 O ATOM 1151 CB GLU A 77 5.128 -6.893 -3.062 1.00 0.00 C ATOM 1152 CG GLU A 77 6.521 -7.433 -2.732 1.00 0.00 C ATOM 1153 CD GLU A 77 7.261 -7.855 -4.003 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.951 -6.983 -4.573 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.119 -9.039 -4.376 1.00 0.00 O ATOM 0 H GLU A 77 3.230 -8.660 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 77 4.719 -7.228 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.765 -7.350 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.183 -5.819 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.096 -6.669 -2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.434 -8.285 -2.058 1.00 0.00 H new ATOM 1162 N PHE A 78 3.628 -4.847 -1.590 1.00 0.00 N ATOM 1163 CA PHE A 78 2.769 -3.684 -1.447 1.00 0.00 C ATOM 1164 C PHE A 78 3.547 -2.392 -1.706 1.00 0.00 C ATOM 1165 O PHE A 78 4.745 -2.321 -1.440 1.00 0.00 O ATOM 1166 CB PHE A 78 2.261 -3.678 -0.004 1.00 0.00 C ATOM 1167 CG PHE A 78 1.184 -4.727 0.281 1.00 0.00 C ATOM 1168 CD1 PHE A 78 -0.116 -4.466 -0.019 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.527 -5.921 0.836 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -1.116 -5.440 0.245 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.528 -6.894 1.100 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.772 -6.633 0.799 1.00 0.00 C ATOM 0 H PHE A 78 4.627 -4.651 -1.520 1.00 0.00 H new ATOM 0 HA PHE A 78 1.952 -3.735 -2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.103 -3.845 0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.861 -2.690 0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.389 -3.518 -0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.559 -6.128 1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.149 -5.233 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.800 -7.842 1.540 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.532 -7.374 1.000 1.00 0.00 H new ATOM 1182 N ARG A 79 2.833 -1.403 -2.223 1.00 0.00 N ATOM 1183 CA ARG A 79 3.441 -0.118 -2.522 1.00 0.00 C ATOM 1184 C ARG A 79 2.367 0.967 -2.626 1.00 0.00 C ATOM 1185 O ARG A 79 1.384 0.805 -3.348 1.00 0.00 O ATOM 1186 CB ARG A 79 4.229 -0.172 -3.832 1.00 0.00 C ATOM 1187 CG ARG A 79 3.287 -0.254 -5.035 1.00 0.00 C ATOM 1188 CD ARG A 79 4.059 -0.588 -6.314 1.00 0.00 C ATOM 1189 NE ARG A 79 3.594 0.273 -7.424 1.00 0.00 N ATOM 1190 CZ ARG A 79 3.999 0.144 -8.695 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.879 -0.811 -9.024 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.524 0.970 -9.637 1.00 0.00 N ATOM 0 H ARG A 79 1.839 -1.466 -2.442 1.00 0.00 H new ATOM 0 HA ARG A 79 4.126 0.121 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.859 0.713 -3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.893 -1.036 -3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.527 -1.015 -4.855 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.765 0.695 -5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.127 -0.442 -6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.916 -1.637 -6.572 1.00 0.00 H new ATOM 0 HE ARG A 79 2.923 1.011 -7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.241 -1.440 -8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.187 -0.909 -9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.854 1.697 -9.387 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.832 0.872 -10.604 1.00 0.00 H new ATOM 1206 N LEU A 80 2.590 2.048 -1.893 1.00 0.00 N ATOM 1207 CA LEU A 80 1.653 3.159 -1.893 1.00 0.00 C ATOM 1208 C LEU A 80 2.213 4.292 -2.755 1.00 0.00 C ATOM 1209 O LEU A 80 3.419 4.532 -2.763 1.00 0.00 O ATOM 1210 CB LEU A 80 1.322 3.581 -0.461 1.00 0.00 C ATOM 1211 CG LEU A 80 -0.158 3.540 -0.074 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.854 2.327 -0.697 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.329 3.581 1.446 1.00 0.00 C ATOM 0 H LEU A 80 3.406 2.178 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 80 0.705 2.858 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.874 2.936 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.689 4.596 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.641 4.431 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.905 2.321 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.778 2.382 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.376 1.413 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.390 3.551 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.172 2.722 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.109 4.500 1.837 1.00 0.00 H new ATOM 1225 N VAL A 81 1.310 4.959 -3.459 1.00 0.00 N ATOM 1226 CA VAL A 81 1.699 6.061 -4.322 1.00 0.00 C ATOM 1227 C VAL A 81 0.803 7.268 -4.036 1.00 0.00 C ATOM 1228 O VAL A 81 -0.360 7.291 -4.437 1.00 0.00 O ATOM 1229 CB VAL A 81 1.658 5.620 -5.786 1.00 0.00 C ATOM 1230 CG1 VAL A 81 2.756 6.310 -6.598 1.00 0.00 C ATOM 1231 CG2 VAL A 81 1.764 4.098 -5.903 1.00 0.00 C ATOM 0 H VAL A 81 0.310 4.757 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 81 2.726 6.362 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 81 0.696 5.922 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.704 5.979 -7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.616 7.390 -6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.731 6.053 -6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.732 3.811 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.704 3.764 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.931 3.634 -5.375 1.00 0.00 H new ATOM 1241 N ALA A 82 1.378 8.241 -3.345 1.00 0.00 N ATOM 1242 CA ALA A 82 0.645 9.448 -3.000 1.00 0.00 C ATOM 1243 C ALA A 82 0.557 10.354 -4.230 1.00 0.00 C ATOM 1244 O ALA A 82 1.559 10.925 -4.658 1.00 0.00 O ATOM 1245 CB ALA A 82 1.325 10.137 -1.815 1.00 0.00 C ATOM 0 H ALA A 82 2.343 8.219 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.373 9.206 -2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.776 11.042 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.336 9.462 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.348 10.398 -2.084 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.651 10.458 -4.763 1.00 0.00 N ATOM 1252 CA PHE A 83 -0.883 11.285 -5.935 1.00 0.00 C ATOM 1253 C PHE A 83 -1.901 12.387 -5.636 1.00 0.00 C ATOM 1254 O PHE A 83 -2.906 12.145 -4.970 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.446 10.370 -7.024 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.767 9.695 -6.648 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -3.914 10.424 -6.603 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -2.794 8.366 -6.360 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.140 9.798 -6.254 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.020 7.740 -6.011 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.167 8.469 -5.965 1.00 0.00 C ATOM 0 H PHE A 83 -1.480 9.983 -4.405 1.00 0.00 H new ATOM 0 HA PHE A 83 0.048 11.761 -6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.593 10.953 -7.933 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.709 9.600 -7.254 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.893 11.479 -6.833 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.883 7.787 -6.397 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.051 10.377 -6.218 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.041 6.685 -5.782 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.099 7.993 -5.699 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.604 13.576 -6.142 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.481 14.716 -5.936 1.00 0.00 C ATOM 1273 C ALA A 84 -2.841 15.328 -7.292 1.00 0.00 C ATOM 1274 O ALA A 84 -2.011 15.981 -7.922 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.800 15.722 -5.005 1.00 0.00 C ATOM 0 H ALA A 84 -0.769 13.774 -6.694 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.409 14.405 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.458 16.577 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.591 15.247 -4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.866 16.059 -5.454 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.079 15.094 -7.700 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.560 15.613 -8.969 1.00 0.00 C ATOM 1283 C GLY A 85 -3.399 15.862 -9.934 1.00 0.00 C ATOM 1284 O GLY A 85 -2.780 16.925 -9.906 1.00 0.00 O ATOM 0 H GLY A 85 -4.764 14.552 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.261 14.906 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.105 16.542 -8.803 1.00 0.00 H new ATOM 1288 N SER A 86 -3.138 14.864 -10.766 1.00 0.00 N ATOM 1289 CA SER A 86 -2.062 14.961 -11.738 1.00 0.00 C ATOM 1290 C SER A 86 -0.744 14.508 -11.107 1.00 0.00 C ATOM 1291 O SER A 86 -0.139 13.536 -11.557 1.00 0.00 O ATOM 1292 CB SER A 86 -1.931 16.389 -12.273 1.00 0.00 C ATOM 1293 OG SER A 86 -1.539 16.411 -13.643 1.00 0.00 O ATOM 0 H SER A 86 -3.653 13.984 -10.787 1.00 0.00 H new ATOM 0 HA SER A 86 -2.299 14.307 -12.577 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.883 16.908 -12.160 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.199 16.934 -11.677 1.00 0.00 H new ATOM 0 HG SER A 86 -1.468 17.340 -13.948 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.338 15.233 -10.075 1.00 0.00 N ATOM 1300 CA PHE A 87 0.897 14.917 -9.378 1.00 0.00 C ATOM 1301 C PHE A 87 0.867 13.489 -8.830 1.00 0.00 C ATOM 1302 O PHE A 87 0.011 13.150 -8.015 1.00 0.00 O ATOM 1303 CB PHE A 87 1.013 15.897 -8.208 1.00 0.00 C ATOM 1304 CG PHE A 87 1.176 17.357 -8.634 1.00 0.00 C ATOM 1305 CD1 PHE A 87 0.078 18.136 -8.827 1.00 0.00 C ATOM 1306 CD2 PHE A 87 2.420 17.877 -8.819 1.00 0.00 C ATOM 1307 CE1 PHE A 87 0.230 19.492 -9.222 1.00 0.00 C ATOM 1308 CE2 PHE A 87 2.571 19.232 -9.214 1.00 0.00 C ATOM 1309 CZ PHE A 87 1.473 20.011 -9.407 1.00 0.00 C ATOM 0 H PHE A 87 -0.843 16.038 -9.705 1.00 0.00 H new ATOM 0 HA PHE A 87 1.742 14.998 -10.062 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.124 15.808 -7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.865 15.612 -7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.909 17.724 -8.680 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.292 17.259 -8.665 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.642 20.111 -9.375 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.558 19.645 -9.361 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.588 21.042 -9.707 1.00 0.00 H new ATOM 1319 N VAL A 88 1.814 12.689 -9.301 1.00 0.00 N ATOM 1320 CA VAL A 88 1.907 11.305 -8.868 1.00 0.00 C ATOM 1321 C VAL A 88 3.265 11.074 -8.203 1.00 0.00 C ATOM 1322 O VAL A 88 4.300 11.113 -8.867 1.00 0.00 O ATOM 1323 CB VAL A 88 1.654 10.369 -10.052 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.346 9.021 -9.842 1.00 0.00 C ATOM 1325 CG2 VAL A 88 0.154 10.184 -10.293 1.00 0.00 C ATOM 0 H VAL A 88 2.523 12.973 -9.977 1.00 0.00 H new ATOM 0 HA VAL A 88 1.140 11.084 -8.126 1.00 0.00 H new ATOM 0 HB VAL A 88 2.082 10.830 -10.942 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.150 8.374 -10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.420 9.175 -9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.961 8.551 -8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.001 9.515 -11.140 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.307 9.755 -9.403 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.302 11.150 -10.508 1.00 0.00 H new ATOM 1335 N SER A 89 3.218 10.838 -6.901 1.00 0.00 N ATOM 1336 CA SER A 89 4.432 10.601 -6.139 1.00 0.00 C ATOM 1337 C SER A 89 4.950 9.186 -6.407 1.00 0.00 C ATOM 1338 O SER A 89 4.239 8.358 -6.973 1.00 0.00 O ATOM 1339 CB SER A 89 4.191 10.802 -4.641 1.00 0.00 C ATOM 1340 OG SER A 89 3.529 9.687 -4.052 1.00 0.00 O ATOM 0 H SER A 89 2.358 10.806 -6.354 1.00 0.00 H new ATOM 0 HA SER A 89 5.183 11.324 -6.459 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.145 10.964 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.594 11.701 -4.487 1.00 0.00 H new ATOM 0 HG SER A 89 2.741 9.455 -4.586 1.00 0.00 H new ATOM 1346 N ASP A 90 6.185 8.953 -5.987 1.00 0.00 N ATOM 1347 CA ASP A 90 6.806 7.653 -6.175 1.00 0.00 C ATOM 1348 C ASP A 90 6.180 6.648 -5.205 1.00 0.00 C ATOM 1349 O ASP A 90 5.650 7.033 -4.164 1.00 0.00 O ATOM 1350 CB ASP A 90 8.308 7.713 -5.889 1.00 0.00 C ATOM 1351 CG ASP A 90 9.174 8.155 -7.070 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.944 9.286 -7.550 1.00 0.00 O ATOM 1353 OD2 ASP A 90 10.046 7.352 -7.466 1.00 0.00 O ATOM 0 H ASP A 90 6.772 9.642 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 90 6.648 7.351 -7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.477 8.397 -5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.640 6.727 -5.563 1.00 0.00 H new ATOM 1358 N PRO A 91 6.264 5.347 -5.592 1.00 0.00 N ATOM 1359 CA PRO A 91 5.712 4.285 -4.768 1.00 0.00 C ATOM 1360 C PRO A 91 6.600 4.017 -3.551 1.00 0.00 C ATOM 1361 O PRO A 91 7.665 3.413 -3.676 1.00 0.00 O ATOM 1362 CB PRO A 91 5.599 3.086 -5.696 1.00 0.00 C ATOM 1363 CG PRO A 91 6.517 3.381 -6.871 1.00 0.00 C ATOM 1364 CD PRO A 91 6.884 4.855 -6.818 1.00 0.00 C ATOM 0 HA PRO A 91 4.739 4.541 -4.348 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.897 2.169 -5.188 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.571 2.945 -6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.413 2.763 -6.820 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.020 3.145 -7.812 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.965 4.994 -6.798 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.510 5.388 -7.692 1.00 0.00 H new ATOM 1372 N SER A 92 6.130 4.479 -2.402 1.00 0.00 N ATOM 1373 CA SER A 92 6.868 4.296 -1.164 1.00 0.00 C ATOM 1374 C SER A 92 7.497 2.902 -1.130 1.00 0.00 C ATOM 1375 O SER A 92 7.118 2.027 -1.907 1.00 0.00 O ATOM 1376 CB SER A 92 5.962 4.500 0.052 1.00 0.00 C ATOM 1377 OG SER A 92 4.764 3.734 -0.040 1.00 0.00 O ATOM 0 H SER A 92 5.247 4.980 -2.302 1.00 0.00 H new ATOM 0 HA SER A 92 7.659 5.045 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.502 4.221 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.711 5.557 0.143 1.00 0.00 H new ATOM 0 HG SER A 92 4.278 3.983 -0.854 1.00 0.00 H new ATOM 1383 N ASN A 93 8.446 2.738 -0.221 1.00 0.00 N ATOM 1384 CA ASN A 93 9.131 1.464 -0.075 1.00 0.00 C ATOM 1385 C ASN A 93 8.134 0.326 -0.298 1.00 0.00 C ATOM 1386 O ASN A 93 6.930 0.506 -0.120 1.00 0.00 O ATOM 1387 CB ASN A 93 9.717 1.311 1.330 1.00 0.00 C ATOM 1388 CG ASN A 93 8.645 1.536 2.398 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.227 2.649 2.671 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.224 0.419 2.986 1.00 0.00 N ATOM 0 H ASN A 93 8.757 3.466 0.422 1.00 0.00 H new ATOM 0 HA ASN A 93 9.938 1.429 -0.807 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.145 0.315 1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.529 2.024 1.469 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.509 0.463 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.616 -0.481 2.710 1.00 0.00 H new ATOM 1397 N THR A 94 8.672 -0.822 -0.685 1.00 0.00 N ATOM 1398 CA THR A 94 7.844 -1.990 -0.935 1.00 0.00 C ATOM 1399 C THR A 94 7.558 -2.730 0.374 1.00 0.00 C ATOM 1400 O THR A 94 8.456 -2.919 1.193 1.00 0.00 O ATOM 1401 CB THR A 94 8.550 -2.855 -1.981 1.00 0.00 C ATOM 1402 OG1 THR A 94 9.041 -1.916 -2.933 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.574 -3.721 -2.780 1.00 0.00 C ATOM 0 H THR A 94 9.671 -0.968 -0.831 1.00 0.00 H new ATOM 0 HA THR A 94 6.869 -1.707 -1.332 1.00 0.00 H new ATOM 0 HB THR A 94 9.283 -3.494 -1.489 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.515 -2.391 -3.647 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.127 -4.315 -3.508 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.038 -4.385 -2.102 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.861 -3.081 -3.300 1.00 0.00 H new ATOM 1411 N ALA A 95 6.304 -3.129 0.529 1.00 0.00 N ATOM 1412 CA ALA A 95 5.889 -3.844 1.723 1.00 0.00 C ATOM 1413 C ALA A 95 5.621 -5.308 1.369 1.00 0.00 C ATOM 1414 O ALA A 95 4.839 -5.598 0.465 1.00 0.00 O ATOM 1415 CB ALA A 95 4.663 -3.157 2.330 1.00 0.00 C ATOM 0 H ALA A 95 5.562 -2.970 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 95 6.678 -3.826 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.352 -3.694 3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.914 -2.129 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.849 -3.158 1.605 1.00 0.00 H new ATOM 1421 N ASN A 96 6.285 -6.192 2.099 1.00 0.00 N ATOM 1422 CA ASN A 96 6.129 -7.618 1.872 1.00 0.00 C ATOM 1423 C ASN A 96 5.427 -8.248 3.078 1.00 0.00 C ATOM 1424 O ASN A 96 5.597 -7.792 4.207 1.00 0.00 O ATOM 1425 CB ASN A 96 7.487 -8.302 1.707 1.00 0.00 C ATOM 1426 CG ASN A 96 8.626 -7.368 2.121 1.00 0.00 C ATOM 1427 OD1 ASN A 96 8.860 -7.114 3.292 1.00 0.00 O ATOM 1428 ND2 ASN A 96 9.318 -6.872 1.100 1.00 0.00 N ATOM 0 H ASN A 96 6.932 -5.948 2.848 1.00 0.00 H new ATOM 0 HA ASN A 96 5.545 -7.752 0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.517 -9.208 2.312 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.621 -8.607 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.098 -6.238 1.273 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.069 -7.126 0.144 1.00 0.00 H new ATOM 1435 N VAL A 97 4.652 -9.285 2.796 1.00 0.00 N ATOM 1436 CA VAL A 97 3.924 -9.981 3.842 1.00 0.00 C ATOM 1437 C VAL A 97 4.342 -11.453 3.857 1.00 0.00 C ATOM 1438 O VAL A 97 4.654 -12.023 2.813 1.00 0.00 O ATOM 1439 CB VAL A 97 2.418 -9.789 3.648 1.00 0.00 C ATOM 1440 CG1 VAL A 97 1.662 -11.097 3.896 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.888 -8.671 4.547 1.00 0.00 C ATOM 0 H VAL A 97 4.513 -9.660 1.858 1.00 0.00 H new ATOM 0 HA VAL A 97 4.168 -9.564 4.819 1.00 0.00 H new ATOM 0 HB VAL A 97 2.248 -9.495 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.594 -10.933 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.010 -11.857 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.843 -11.434 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.816 -8.555 4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.076 -8.923 5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.394 -7.737 4.302 1.00 0.00 H new ATOM 1451 N SER A 98 4.334 -12.026 5.051 1.00 0.00 N ATOM 1452 CA SER A 98 4.708 -13.420 5.215 1.00 0.00 C ATOM 1453 C SER A 98 3.489 -14.244 5.633 1.00 0.00 C ATOM 1454 O SER A 98 2.516 -13.700 6.153 1.00 0.00 O ATOM 1455 CB SER A 98 5.830 -13.572 6.245 1.00 0.00 C ATOM 1456 OG SER A 98 5.913 -14.901 6.752 1.00 0.00 O ATOM 0 H SER A 98 4.074 -11.550 5.915 1.00 0.00 H new ATOM 0 HA SER A 98 5.077 -13.789 4.258 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.781 -13.298 5.788 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.661 -12.879 7.070 1.00 0.00 H new ATOM 0 HG SER A 98 6.642 -14.957 7.405 1.00 0.00 H new