USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 545 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 19 THR OG1 : rot 180:sc= -0.0589 USER MOD Set 1.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 25:sc= 0.114 USER MOD Single : A 26 TYR OH : rot 94:sc= 0.0628 USER MOD Single : A 30 THR OG1 : rot 155:sc= 0.956 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 22:sc= -3.18! USER MOD Single : A 48 LYS NZ :NH3+ -156:sc= 0.241 (180deg=0.0751) USER MOD Single : A 49 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.6) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.64 K(o=-0.64,f=-0.11) USER MOD Single : A 61 CYS SG : rot 128:sc= 0.159 USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0.152 (180deg=0.141) USER MOD Single : A 72 HIS : no HD1:sc= -2.89! K(o=-2.9!,f=-2.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 8 9.843 -5.309 0.816 1.00 0.00 N ATOM 69 CA LEU A 8 9.626 -3.977 1.371 1.00 0.00 C ATOM 70 C LEU A 8 9.356 -4.050 2.871 1.00 0.00 C ATOM 71 O LEU A 8 8.475 -4.784 3.319 1.00 0.00 O ATOM 72 CB LEU A 8 8.457 -3.288 0.664 1.00 0.00 C ATOM 73 CG LEU A 8 8.512 -3.327 -0.864 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.110 -3.417 -1.447 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.235 -2.101 -1.402 1.00 0.00 C ATOM 0 HA LEU A 8 10.532 -3.393 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.528 -3.755 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.421 -2.247 0.985 1.00 0.00 H new ATOM 0 HG LEU A 8 9.067 -4.215 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.169 -3.444 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.624 -4.324 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.530 -2.548 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.265 -2.145 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.706 -1.201 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.252 -2.078 -1.012 1.00 0.00 H new ATOM 87 N ARG A 9 10.122 -3.285 3.643 1.00 0.00 N ATOM 88 CA ARG A 9 9.965 -3.263 5.092 1.00 0.00 C ATOM 89 C ARG A 9 8.598 -2.709 5.484 1.00 0.00 C ATOM 90 O ARG A 9 7.986 -1.951 4.732 1.00 0.00 O ATOM 91 CB ARG A 9 11.071 -2.422 5.733 1.00 0.00 C ATOM 92 CG ARG A 9 12.418 -3.125 5.783 1.00 0.00 C ATOM 93 CD ARG A 9 13.346 -2.479 6.799 1.00 0.00 C ATOM 94 NE ARG A 9 12.734 -2.394 8.123 1.00 0.00 N ATOM 95 CZ ARG A 9 13.251 -1.703 9.135 1.00 0.00 C ATOM 96 NH1 ARG A 9 14.388 -1.034 8.979 1.00 0.00 N ATOM 97 NH2 ARG A 9 12.630 -1.677 10.306 1.00 0.00 N ATOM 0 H ARG A 9 10.857 -2.673 3.289 1.00 0.00 H new ATOM 0 HA ARG A 9 10.039 -4.288 5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.177 -1.491 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.772 -2.155 6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.272 -4.175 6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.881 -3.097 4.797 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.270 -3.054 6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.616 -1.479 6.459 1.00 0.00 H new ATOM 0 HE ARG A 9 11.859 -2.894 8.280 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.869 -1.049 8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.780 -0.506 9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.756 -2.187 10.431 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.027 -1.147 11.082 1.00 0.00 H new ATOM 111 N LEU A 10 8.126 -3.095 6.665 1.00 0.00 N ATOM 112 CA LEU A 10 6.831 -2.638 7.157 1.00 0.00 C ATOM 113 C LEU A 10 6.944 -1.250 7.779 1.00 0.00 C ATOM 114 O LEU A 10 7.010 -1.109 9.000 1.00 0.00 O ATOM 115 CB LEU A 10 6.274 -3.626 8.183 1.00 0.00 C ATOM 116 CG LEU A 10 5.629 -4.880 7.589 1.00 0.00 C ATOM 117 CD1 LEU A 10 6.000 -6.110 8.404 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.118 -4.721 7.521 1.00 0.00 C ATOM 0 H LEU A 10 8.620 -3.723 7.299 1.00 0.00 H new ATOM 0 HA LEU A 10 6.148 -2.582 6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.083 -3.931 8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.535 -3.111 8.797 1.00 0.00 H new ATOM 0 HG LEU A 10 6.007 -5.013 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.532 -6.992 7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.083 -6.235 8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.651 -5.986 9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.676 -5.622 7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.723 -4.562 8.525 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.870 -3.865 6.894 1.00 0.00 H new ATOM 130 N GLY A 11 6.965 -0.226 6.931 1.00 0.00 N ATOM 131 CA GLY A 11 7.071 1.138 7.416 1.00 0.00 C ATOM 132 C GLY A 11 8.122 1.937 6.675 1.00 0.00 C ATOM 133 O GLY A 11 8.919 2.648 7.289 1.00 0.00 O ATOM 0 H GLY A 11 6.910 -0.317 5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.105 1.632 7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.312 1.125 8.479 1.00 0.00 H new ATOM 137 N ASP A 12 8.128 1.821 5.351 1.00 0.00 N ATOM 138 CA ASP A 12 9.090 2.540 4.524 1.00 0.00 C ATOM 139 C ASP A 12 8.387 3.291 3.398 1.00 0.00 C ATOM 140 O ASP A 12 7.376 2.830 2.867 1.00 0.00 O ATOM 141 CB ASP A 12 10.121 1.568 3.944 1.00 0.00 C ATOM 142 CG ASP A 12 11.511 1.796 4.504 1.00 0.00 C ATOM 143 OD1 ASP A 12 11.618 2.314 5.636 1.00 0.00 O ATOM 144 OD2 ASP A 12 12.494 1.457 3.811 1.00 0.00 O ATOM 0 H ASP A 12 7.477 1.236 4.828 1.00 0.00 H new ATOM 0 HA ASP A 12 9.602 3.268 5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.811 0.545 4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.147 1.675 2.860 1.00 0.00 H new ATOM 149 N ARG A 13 8.928 4.451 3.039 1.00 0.00 N ATOM 150 CA ARG A 13 8.352 5.265 1.975 1.00 0.00 C ATOM 151 C ARG A 13 8.611 4.639 0.609 1.00 0.00 C ATOM 152 O ARG A 13 9.753 4.568 0.154 1.00 0.00 O ATOM 153 CB ARG A 13 8.931 6.680 2.019 1.00 0.00 C ATOM 154 CG ARG A 13 8.005 7.735 1.437 1.00 0.00 C ATOM 155 CD ARG A 13 8.376 9.129 1.920 1.00 0.00 C ATOM 156 NE ARG A 13 9.750 9.481 1.571 1.00 0.00 N ATOM 157 CZ ARG A 13 10.214 10.728 1.555 1.00 0.00 C ATOM 158 NH1 ARG A 13 9.419 11.744 1.866 1.00 0.00 N ATOM 159 NH2 ARG A 13 11.478 10.961 1.228 1.00 0.00 N ATOM 0 H ARG A 13 9.764 4.848 3.469 1.00 0.00 H new ATOM 0 HA ARG A 13 7.275 5.315 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.158 6.939 3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.874 6.695 1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.052 7.701 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.976 7.513 1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.693 9.858 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.251 9.183 3.001 1.00 0.00 H new ATOM 0 HE ARG A 13 10.391 8.727 1.325 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.446 11.571 2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.781 12.698 1.852 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.094 10.184 0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.834 11.917 1.216 1.00 0.00 H new ATOM 173 N VAL A 14 7.544 4.186 -0.041 1.00 0.00 N ATOM 174 CA VAL A 14 7.656 3.567 -1.356 1.00 0.00 C ATOM 175 C VAL A 14 6.816 4.311 -2.388 1.00 0.00 C ATOM 176 O VAL A 14 5.835 4.970 -2.046 1.00 0.00 O ATOM 177 CB VAL A 14 7.216 2.091 -1.321 1.00 0.00 C ATOM 178 CG1 VAL A 14 8.163 1.271 -0.459 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.786 1.972 -0.817 1.00 0.00 C ATOM 0 H VAL A 14 6.592 4.236 0.322 1.00 0.00 H new ATOM 0 HA VAL A 14 8.707 3.619 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 14 7.253 1.696 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.836 0.231 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.171 1.329 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.162 1.664 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.493 0.922 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.720 2.385 0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.119 2.524 -1.480 1.00 0.00 H new ATOM 189 N LEU A 15 7.209 4.201 -3.652 1.00 0.00 N ATOM 190 CA LEU A 15 6.493 4.865 -4.736 1.00 0.00 C ATOM 191 C LEU A 15 5.393 3.966 -5.293 1.00 0.00 C ATOM 192 O LEU A 15 5.637 2.809 -5.634 1.00 0.00 O ATOM 193 CB LEU A 15 7.463 5.255 -5.853 1.00 0.00 C ATOM 194 CG LEU A 15 7.049 6.479 -6.672 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.796 7.670 -5.761 1.00 0.00 C ATOM 196 CD2 LEU A 15 8.115 6.812 -7.705 1.00 0.00 C ATOM 0 H LEU A 15 8.019 3.659 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 15 6.032 5.767 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.442 5.445 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.576 4.407 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 15 6.122 6.246 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.503 8.531 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.998 7.428 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.706 7.906 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.805 7.685 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.057 7.026 -7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.248 5.964 -8.377 1.00 0.00 H new ATOM 208 N VAL A 16 4.182 4.508 -5.381 1.00 0.00 N ATOM 209 CA VAL A 16 3.044 3.755 -5.898 1.00 0.00 C ATOM 210 C VAL A 16 2.493 4.395 -7.167 1.00 0.00 C ATOM 211 O VAL A 16 1.870 5.455 -7.118 1.00 0.00 O ATOM 212 CB VAL A 16 1.916 3.656 -4.855 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.829 2.704 -5.330 1.00 0.00 C ATOM 214 CG2 VAL A 16 2.470 3.215 -3.508 1.00 0.00 C ATOM 0 H VAL A 16 3.964 5.464 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 16 3.406 2.753 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 16 1.472 4.644 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.041 2.648 -4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.411 3.068 -6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.255 1.713 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.658 3.151 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.942 2.238 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.207 3.940 -3.163 1.00 0.00 H new ATOM 224 N GLY A 17 2.726 3.743 -8.301 1.00 0.00 N ATOM 225 CA GLY A 17 2.244 4.264 -9.567 1.00 0.00 C ATOM 226 C GLY A 17 3.312 5.031 -10.322 1.00 0.00 C ATOM 227 O GLY A 17 3.338 5.024 -11.553 1.00 0.00 O ATOM 0 H GLY A 17 3.239 2.864 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.888 3.439 -10.184 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.391 4.918 -9.386 1.00 0.00 H new ATOM 231 N GLY A 18 4.194 5.697 -9.583 1.00 0.00 N ATOM 232 CA GLY A 18 5.257 6.463 -10.208 1.00 0.00 C ATOM 233 C GLY A 18 5.102 7.955 -9.988 1.00 0.00 C ATOM 234 O GLY A 18 5.490 8.757 -10.838 1.00 0.00 O ATOM 0 H GLY A 18 4.192 5.720 -8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.218 6.138 -9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.269 6.256 -11.278 1.00 0.00 H new ATOM 238 N THR A 19 4.532 8.327 -8.847 1.00 0.00 N ATOM 239 CA THR A 19 4.325 9.732 -8.518 1.00 0.00 C ATOM 240 C THR A 19 3.805 9.887 -7.093 1.00 0.00 C ATOM 241 O THR A 19 4.256 10.755 -6.347 1.00 0.00 O ATOM 242 CB THR A 19 3.345 10.369 -9.505 1.00 0.00 C ATOM 243 OG1 THR A 19 2.492 9.389 -10.068 1.00 0.00 O ATOM 244 CG2 THR A 19 4.028 11.092 -10.646 1.00 0.00 C ATOM 0 H THR A 19 4.205 7.675 -8.134 1.00 0.00 H new ATOM 0 HA THR A 19 5.286 10.242 -8.591 1.00 0.00 H new ATOM 0 HB THR A 19 2.781 11.096 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.872 9.816 -10.695 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.275 11.520 -11.308 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.656 11.889 -10.248 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.645 10.389 -11.205 1.00 0.00 H new ATOM 252 N LYS A 20 2.852 9.037 -6.722 1.00 0.00 N ATOM 253 CA LYS A 20 2.269 9.078 -5.386 1.00 0.00 C ATOM 254 C LYS A 20 3.166 8.364 -4.379 1.00 0.00 C ATOM 255 O LYS A 20 3.344 7.148 -4.445 1.00 0.00 O ATOM 256 CB LYS A 20 0.880 8.437 -5.394 1.00 0.00 C ATOM 257 CG LYS A 20 -0.068 9.055 -6.409 1.00 0.00 C ATOM 258 CD LYS A 20 -0.701 7.997 -7.301 1.00 0.00 C ATOM 259 CE LYS A 20 -1.786 8.590 -8.184 1.00 0.00 C ATOM 260 NZ LYS A 20 -1.291 8.871 -9.561 1.00 0.00 N ATOM 0 H LYS A 20 2.468 8.312 -7.328 1.00 0.00 H new ATOM 0 HA LYS A 20 2.178 10.122 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.981 7.372 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.442 8.525 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.850 9.608 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.474 9.773 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.067 7.538 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.125 7.205 -6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.629 7.901 -8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.155 9.513 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.061 9.274 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.503 9.548 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.963 7.987 -9.999 1.00 0.00 H new ATOM 274 N THR A 21 3.727 9.129 -3.449 1.00 0.00 N ATOM 275 CA THR A 21 4.605 8.569 -2.427 1.00 0.00 C ATOM 276 C THR A 21 3.809 8.145 -1.198 1.00 0.00 C ATOM 277 O THR A 21 2.986 8.904 -0.687 1.00 0.00 O ATOM 278 CB THR A 21 5.675 9.587 -2.031 1.00 0.00 C ATOM 279 OG1 THR A 21 5.080 10.756 -1.496 1.00 0.00 O ATOM 280 CG2 THR A 21 6.557 10.008 -3.185 1.00 0.00 C ATOM 0 H THR A 21 3.590 10.137 -3.381 1.00 0.00 H new ATOM 0 HA THR A 21 5.090 7.687 -2.844 1.00 0.00 H new ATOM 0 HB THR A 21 6.293 9.083 -1.288 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.198 10.536 -1.131 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.294 10.731 -2.835 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.069 9.135 -3.589 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.945 10.462 -3.964 1.00 0.00 H new ATOM 288 N GLY A 22 4.058 6.926 -0.729 1.00 0.00 N ATOM 289 CA GLY A 22 3.356 6.422 0.437 1.00 0.00 C ATOM 290 C GLY A 22 4.178 5.419 1.221 1.00 0.00 C ATOM 291 O GLY A 22 4.994 4.694 0.651 1.00 0.00 O ATOM 0 H GLY A 22 4.733 6.279 -1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.091 7.256 1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.423 5.955 0.122 1.00 0.00 H new ATOM 295 N VAL A 23 3.964 5.376 2.531 1.00 0.00 N ATOM 296 CA VAL A 23 4.691 4.453 3.395 1.00 0.00 C ATOM 297 C VAL A 23 3.960 3.120 3.513 1.00 0.00 C ATOM 298 O VAL A 23 2.735 3.081 3.631 1.00 0.00 O ATOM 299 CB VAL A 23 4.893 5.042 4.805 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.786 4.138 5.641 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.476 6.446 4.720 1.00 0.00 C ATOM 0 H VAL A 23 3.293 5.970 3.018 1.00 0.00 H new ATOM 0 HA VAL A 23 5.666 4.291 2.935 1.00 0.00 H new ATOM 0 HB VAL A 23 3.920 5.105 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.916 4.571 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.325 3.155 5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.758 4.039 5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.611 6.845 5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.439 6.410 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.795 7.090 4.163 1.00 0.00 H new ATOM 311 N VAL A 24 4.719 2.030 3.483 1.00 0.00 N ATOM 312 CA VAL A 24 4.143 0.694 3.587 1.00 0.00 C ATOM 313 C VAL A 24 3.520 0.471 4.961 1.00 0.00 C ATOM 314 O VAL A 24 4.163 0.692 5.987 1.00 0.00 O ATOM 315 CB VAL A 24 5.201 -0.397 3.331 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.552 -1.772 3.289 1.00 0.00 C ATOM 317 CG2 VAL A 24 5.957 -0.117 2.040 1.00 0.00 C ATOM 0 H VAL A 24 5.734 2.045 3.388 1.00 0.00 H new ATOM 0 HA VAL A 24 3.369 0.623 2.823 1.00 0.00 H new ATOM 0 HB VAL A 24 5.916 -0.383 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.315 -2.529 3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.062 -1.972 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.814 -1.801 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.700 -0.898 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.257 -0.101 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.457 0.849 2.113 1.00 0.00 H new ATOM 327 N ARG A 25 2.266 0.033 4.972 1.00 0.00 N ATOM 328 CA ARG A 25 1.555 -0.221 6.221 1.00 0.00 C ATOM 329 C ARG A 25 1.327 -1.716 6.422 1.00 0.00 C ATOM 330 O ARG A 25 1.314 -2.205 7.553 1.00 0.00 O ATOM 331 CB ARG A 25 0.216 0.519 6.229 1.00 0.00 C ATOM 332 CG ARG A 25 0.246 1.818 7.019 1.00 0.00 C ATOM 333 CD ARG A 25 -0.045 1.580 8.492 1.00 0.00 C ATOM 334 NE ARG A 25 -0.386 2.817 9.189 1.00 0.00 N ATOM 335 CZ ARG A 25 0.511 3.710 9.599 1.00 0.00 C ATOM 336 NH1 ARG A 25 1.805 3.507 9.383 1.00 0.00 N ATOM 337 NH2 ARG A 25 0.116 4.808 10.227 1.00 0.00 N ATOM 0 H ARG A 25 1.720 -0.154 4.131 1.00 0.00 H new ATOM 0 HA ARG A 25 2.169 0.147 7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.077 0.734 5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.549 -0.135 6.648 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.223 2.288 6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.488 2.512 6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.867 0.871 8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.826 1.126 8.965 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.371 3.008 9.373 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.115 2.663 8.901 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.489 4.195 9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.877 4.969 10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.805 5.492 10.541 1.00 0.00 H new ATOM 351 N TYR A 26 1.147 -2.436 5.321 1.00 0.00 N ATOM 352 CA TYR A 26 0.918 -3.875 5.378 1.00 0.00 C ATOM 353 C TYR A 26 1.662 -4.589 4.253 1.00 0.00 C ATOM 354 O TYR A 26 1.824 -4.047 3.160 1.00 0.00 O ATOM 355 CB TYR A 26 -0.579 -4.178 5.288 1.00 0.00 C ATOM 356 CG TYR A 26 -0.908 -5.648 5.418 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.723 -6.317 6.622 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.405 -6.366 4.338 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.023 -7.660 6.745 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.707 -7.711 4.454 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.515 -8.352 5.658 1.00 0.00 C ATOM 362 OH TYR A 26 -1.814 -9.690 5.776 1.00 0.00 O ATOM 0 H TYR A 26 1.155 -2.047 4.378 1.00 0.00 H new ATOM 0 HA TYR A 26 1.299 -4.241 6.331 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.100 -3.627 6.071 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.958 -3.812 4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.338 -5.778 7.475 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.558 -5.866 3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.873 -8.165 7.688 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.092 -8.256 3.605 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.763 -9.795 5.996 1.00 0.00 H new ATOM 372 N VAL A 27 2.110 -5.809 4.530 1.00 0.00 N ATOM 373 CA VAL A 27 2.837 -6.598 3.543 1.00 0.00 C ATOM 374 C VAL A 27 2.522 -8.083 3.687 1.00 0.00 C ATOM 375 O VAL A 27 2.772 -8.682 4.734 1.00 0.00 O ATOM 376 CB VAL A 27 4.358 -6.393 3.668 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.087 -7.074 2.519 1.00 0.00 C ATOM 378 CG2 VAL A 27 4.695 -4.910 3.717 1.00 0.00 C ATOM 0 H VAL A 27 1.982 -6.272 5.430 1.00 0.00 H new ATOM 0 HA VAL A 27 2.512 -6.253 2.561 1.00 0.00 H new ATOM 0 HB VAL A 27 4.691 -6.850 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.160 -6.918 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.873 -8.143 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.751 -6.650 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.774 -4.785 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.347 -4.428 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.205 -4.454 4.577 1.00 0.00 H new ATOM 388 N GLY A 28 1.973 -8.673 2.632 1.00 0.00 N ATOM 389 CA GLY A 28 1.633 -10.084 2.662 1.00 0.00 C ATOM 390 C GLY A 28 0.470 -10.421 1.750 1.00 0.00 C ATOM 391 O GLY A 28 -0.044 -9.555 1.042 1.00 0.00 O ATOM 0 H GLY A 28 1.757 -8.199 1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.503 -10.670 2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.385 -10.373 3.683 1.00 0.00 H new ATOM 395 N GLU A 29 0.053 -11.683 1.769 1.00 0.00 N ATOM 396 CA GLU A 29 -1.058 -12.133 0.938 1.00 0.00 C ATOM 397 C GLU A 29 -2.368 -11.498 1.391 1.00 0.00 C ATOM 398 O GLU A 29 -2.470 -10.991 2.508 1.00 0.00 O ATOM 399 CB GLU A 29 -1.174 -13.658 0.986 1.00 0.00 C ATOM 400 CG GLU A 29 0.084 -14.378 0.530 1.00 0.00 C ATOM 401 CD GLU A 29 -0.205 -15.755 -0.036 1.00 0.00 C ATOM 402 OE1 GLU A 29 -1.154 -15.880 -0.837 1.00 0.00 O ATOM 403 OE2 GLU A 29 0.518 -16.708 0.323 1.00 0.00 O ATOM 0 H GLU A 29 0.467 -12.412 2.350 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.860 -11.823 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.409 -13.964 2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.009 -13.971 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.588 -13.777 -0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.770 -14.472 1.372 1.00 0.00 H new ATOM 410 N THR A 30 -3.368 -11.527 0.516 1.00 0.00 N ATOM 411 CA THR A 30 -4.672 -10.955 0.826 1.00 0.00 C ATOM 412 C THR A 30 -5.754 -12.030 0.814 1.00 0.00 C ATOM 413 O THR A 30 -5.458 -13.221 0.730 1.00 0.00 O ATOM 414 CB THR A 30 -5.021 -9.854 -0.176 1.00 0.00 C ATOM 415 OG1 THR A 30 -5.313 -10.407 -1.447 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.913 -8.839 -0.361 1.00 0.00 C ATOM 0 H THR A 30 -3.300 -11.941 -0.414 1.00 0.00 H new ATOM 0 HA THR A 30 -4.623 -10.524 1.826 1.00 0.00 H new ATOM 0 HB THR A 30 -5.890 -9.347 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.901 -9.799 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.226 -8.086 -1.085 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.697 -8.358 0.593 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.017 -9.341 -0.725 1.00 0.00 H new ATOM 424 N ASP A 31 -7.010 -11.600 0.901 1.00 0.00 N ATOM 425 CA ASP A 31 -8.135 -12.527 0.901 1.00 0.00 C ATOM 426 C ASP A 31 -9.118 -12.189 -0.216 1.00 0.00 C ATOM 427 O ASP A 31 -10.322 -12.409 -0.085 1.00 0.00 O ATOM 428 CB ASP A 31 -8.851 -12.492 2.252 1.00 0.00 C ATOM 429 CG ASP A 31 -8.062 -13.191 3.343 1.00 0.00 C ATOM 430 OD1 ASP A 31 -7.579 -14.316 3.097 1.00 0.00 O ATOM 431 OD2 ASP A 31 -7.926 -12.612 4.441 1.00 0.00 O ATOM 0 H ASP A 31 -7.273 -10.617 0.972 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.747 -13.531 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.026 -11.456 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.828 -12.965 2.155 1.00 0.00 H new ATOM 436 N PHE A 32 -8.597 -11.656 -1.316 1.00 0.00 N ATOM 437 CA PHE A 32 -9.428 -11.289 -2.456 1.00 0.00 C ATOM 438 C PHE A 32 -8.742 -11.650 -3.769 1.00 0.00 C ATOM 439 O PHE A 32 -9.356 -12.237 -4.661 1.00 0.00 O ATOM 440 CB PHE A 32 -9.742 -9.793 -2.426 1.00 0.00 C ATOM 441 CG PHE A 32 -8.526 -8.920 -2.552 1.00 0.00 C ATOM 442 CD1 PHE A 32 -8.073 -8.516 -3.797 1.00 0.00 C ATOM 443 CD2 PHE A 32 -7.835 -8.504 -1.425 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.955 -7.712 -3.918 1.00 0.00 C ATOM 445 CE2 PHE A 32 -6.716 -7.701 -1.538 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.275 -7.306 -2.786 1.00 0.00 C ATOM 0 H PHE A 32 -7.602 -11.469 -1.442 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.360 -11.850 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.432 -9.559 -3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.254 -9.556 -1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.600 -8.833 -4.685 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.175 -8.811 -0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.614 -7.402 -4.895 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.187 -7.383 -0.652 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.399 -6.680 -2.877 1.00 0.00 H new ATOM 456 N ALA A 33 -7.465 -11.298 -3.882 1.00 0.00 N ATOM 457 CA ALA A 33 -6.696 -11.585 -5.086 1.00 0.00 C ATOM 458 C ALA A 33 -5.513 -12.496 -4.778 1.00 0.00 C ATOM 459 O ALA A 33 -4.901 -12.396 -3.714 1.00 0.00 O ATOM 460 CB ALA A 33 -6.216 -10.292 -5.728 1.00 0.00 C ATOM 0 H ALA A 33 -6.941 -10.813 -3.153 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.348 -12.105 -5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.643 -10.523 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.076 -9.677 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.585 -9.749 -5.025 1.00 0.00 H new ATOM 466 N LYS A 34 -5.195 -13.383 -5.714 1.00 0.00 N ATOM 467 CA LYS A 34 -4.084 -14.312 -5.543 1.00 0.00 C ATOM 468 C LYS A 34 -2.748 -13.578 -5.600 1.00 0.00 C ATOM 469 O LYS A 34 -2.584 -12.622 -6.358 1.00 0.00 O ATOM 470 CB LYS A 34 -4.131 -15.400 -6.619 1.00 0.00 C ATOM 471 CG LYS A 34 -3.812 -16.790 -6.092 1.00 0.00 C ATOM 472 CD LYS A 34 -4.443 -17.871 -6.956 1.00 0.00 C ATOM 473 CE LYS A 34 -3.568 -19.112 -7.022 1.00 0.00 C ATOM 474 NZ LYS A 34 -4.074 -20.195 -6.134 1.00 0.00 N ATOM 0 H LYS A 34 -5.691 -13.478 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.179 -14.778 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.123 -15.410 -7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.424 -15.149 -7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.731 -16.930 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.173 -16.884 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.421 -18.135 -6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.606 -17.485 -7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.528 -19.474 -8.049 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.549 -18.853 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.450 -21.024 -6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.089 -19.859 -5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.037 -20.460 -6.424 1.00 0.00 H new ATOM 488 N GLY A 35 -1.794 -14.033 -4.793 1.00 0.00 N ATOM 489 CA GLY A 35 -0.485 -13.408 -4.768 1.00 0.00 C ATOM 490 C GLY A 35 -0.274 -12.553 -3.534 1.00 0.00 C ATOM 491 O GLY A 35 -1.120 -12.521 -2.641 1.00 0.00 O ATOM 0 H GLY A 35 -1.905 -14.823 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.284 -14.180 -4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.363 -12.791 -5.659 1.00 0.00 H new ATOM 495 N GLU A 36 0.859 -11.859 -3.484 1.00 0.00 N ATOM 496 CA GLU A 36 1.178 -10.999 -2.351 1.00 0.00 C ATOM 497 C GLU A 36 0.963 -9.530 -2.702 1.00 0.00 C ATOM 498 O GLU A 36 1.404 -9.063 -3.753 1.00 0.00 O ATOM 499 CB GLU A 36 2.627 -11.225 -1.906 1.00 0.00 C ATOM 500 CG GLU A 36 2.752 -12.092 -0.663 1.00 0.00 C ATOM 501 CD GLU A 36 4.100 -11.945 0.014 1.00 0.00 C ATOM 502 OE1 GLU A 36 4.257 -11.013 0.831 1.00 0.00 O ATOM 503 OE2 GLU A 36 5.001 -12.763 -0.271 1.00 0.00 O ATOM 0 H GLU A 36 1.571 -11.876 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 36 0.508 -11.257 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.181 -11.691 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.095 -10.259 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.964 -11.827 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.598 -13.136 -0.935 1.00 0.00 H new ATOM 510 N TRP A 37 0.282 -8.809 -1.817 1.00 0.00 N ATOM 511 CA TRP A 37 0.008 -7.393 -2.033 1.00 0.00 C ATOM 512 C TRP A 37 0.632 -6.544 -0.930 1.00 0.00 C ATOM 513 O TRP A 37 0.929 -7.042 0.156 1.00 0.00 O ATOM 514 CB TRP A 37 -1.500 -7.147 -2.092 1.00 0.00 C ATOM 515 CG TRP A 37 -2.167 -7.813 -3.256 1.00 0.00 C ATOM 516 CD1 TRP A 37 -2.295 -9.155 -3.471 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.796 -7.165 -4.369 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.966 -9.382 -4.649 1.00 0.00 N ATOM 519 CE2 TRP A 37 -3.284 -8.177 -5.218 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.995 -5.830 -4.729 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.959 -7.893 -6.403 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.665 -5.549 -5.905 1.00 0.00 C ATOM 523 CH2 TRP A 37 -4.139 -6.577 -6.730 1.00 0.00 C ATOM 0 H TRP A 37 -0.090 -9.182 -0.944 1.00 0.00 H new ATOM 0 HA TRP A 37 0.453 -7.103 -2.985 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.955 -7.505 -1.169 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.684 -6.074 -2.143 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.923 -9.926 -2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.191 -10.298 -5.036 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.632 -5.031 -4.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.327 -8.683 -7.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.826 -4.520 -6.192 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.657 -6.325 -7.643 1.00 0.00 H new ATOM 534 N CYS A 38 0.827 -5.261 -1.216 1.00 0.00 N ATOM 535 CA CYS A 38 1.415 -4.343 -0.246 1.00 0.00 C ATOM 536 C CYS A 38 0.536 -3.111 -0.060 1.00 0.00 C ATOM 537 O CYS A 38 0.265 -2.379 -1.012 1.00 0.00 O ATOM 538 CB CYS A 38 2.814 -3.921 -0.698 1.00 0.00 C ATOM 539 SG CYS A 38 4.118 -5.093 -0.253 1.00 0.00 S ATOM 0 H CYS A 38 0.587 -4.833 -2.110 1.00 0.00 H new ATOM 0 HA CYS A 38 1.489 -4.862 0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.811 -3.791 -1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.048 -2.950 -0.261 1.00 0.00 H new ATOM 0 HG CYS A 38 3.596 -6.266 -0.049 1.00 0.00 H new ATOM 545 N GLY A 39 0.091 -2.889 1.173 1.00 0.00 N ATOM 546 CA GLY A 39 -0.752 -1.744 1.462 1.00 0.00 C ATOM 547 C GLY A 39 0.048 -0.476 1.685 1.00 0.00 C ATOM 548 O GLY A 39 0.645 -0.289 2.745 1.00 0.00 O ATOM 0 H GLY A 39 0.299 -3.482 1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.447 -1.591 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.351 -1.952 2.348 1.00 0.00 H new ATOM 552 N VAL A 40 0.061 0.396 0.683 1.00 0.00 N ATOM 553 CA VAL A 40 0.794 1.653 0.774 1.00 0.00 C ATOM 554 C VAL A 40 -0.127 2.799 1.177 1.00 0.00 C ATOM 555 O VAL A 40 -1.166 3.023 0.555 1.00 0.00 O ATOM 556 CB VAL A 40 1.475 2.004 -0.563 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.393 3.205 -0.396 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.243 0.806 -1.101 1.00 0.00 C ATOM 0 H VAL A 40 -0.428 0.256 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 40 1.558 1.518 1.539 1.00 0.00 H new ATOM 0 HB VAL A 40 0.702 2.265 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.865 3.438 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.812 4.063 -0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.161 2.976 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.717 1.072 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.007 0.511 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.556 -0.025 -1.262 1.00 0.00 H new ATOM 568 N GLU A 41 0.260 3.524 2.221 1.00 0.00 N ATOM 569 CA GLU A 41 -0.531 4.649 2.707 1.00 0.00 C ATOM 570 C GLU A 41 0.020 5.969 2.179 1.00 0.00 C ATOM 571 O GLU A 41 1.202 6.272 2.345 1.00 0.00 O ATOM 572 CB GLU A 41 -0.546 4.664 4.238 1.00 0.00 C ATOM 573 CG GLU A 41 -1.661 5.514 4.825 1.00 0.00 C ATOM 574 CD GLU A 41 -1.177 6.422 5.940 1.00 0.00 C ATOM 575 OE1 GLU A 41 -0.117 7.060 5.768 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.859 6.494 6.984 1.00 0.00 O ATOM 0 H GLU A 41 1.117 3.353 2.747 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.551 4.530 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.649 3.642 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.413 5.036 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.105 6.120 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.447 4.862 5.207 1.00 0.00 H new ATOM 583 N LEU A 42 -0.844 6.752 1.542 1.00 0.00 N ATOM 584 CA LEU A 42 -0.444 8.040 0.988 1.00 0.00 C ATOM 585 C LEU A 42 -0.659 9.161 2.000 1.00 0.00 C ATOM 586 O LEU A 42 -1.277 8.955 3.046 1.00 0.00 O ATOM 587 CB LEU A 42 -1.232 8.335 -0.291 1.00 0.00 C ATOM 588 CG LEU A 42 -0.926 7.406 -1.468 1.00 0.00 C ATOM 589 CD1 LEU A 42 -1.868 7.689 -2.628 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.523 7.561 -1.904 1.00 0.00 C ATOM 0 H LEU A 42 -1.826 6.517 1.397 1.00 0.00 H new ATOM 0 HA LEU A 42 0.619 7.990 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.297 8.273 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.030 9.362 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.079 6.376 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.636 7.020 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.898 7.528 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.746 8.723 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.724 6.893 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.703 8.592 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.182 7.309 -1.073 1.00 0.00 H new ATOM 602 N ASP A 43 -0.146 10.344 1.683 1.00 0.00 N ATOM 603 CA ASP A 43 -0.281 11.498 2.565 1.00 0.00 C ATOM 604 C ASP A 43 -1.547 12.285 2.241 1.00 0.00 C ATOM 605 O ASP A 43 -2.141 12.912 3.118 1.00 0.00 O ATOM 606 CB ASP A 43 0.944 12.406 2.443 1.00 0.00 C ATOM 607 CG ASP A 43 1.253 12.770 1.004 1.00 0.00 C ATOM 608 OD1 ASP A 43 0.397 13.407 0.356 1.00 0.00 O ATOM 609 OD2 ASP A 43 2.352 12.418 0.525 1.00 0.00 O ATOM 0 H ASP A 43 0.368 10.530 0.822 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.354 11.134 3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.776 13.317 3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.808 11.907 2.882 1.00 0.00 H new ATOM 614 N GLU A 44 -1.952 12.251 0.975 1.00 0.00 N ATOM 615 CA GLU A 44 -3.148 12.962 0.537 1.00 0.00 C ATOM 616 C GLU A 44 -4.286 11.987 0.247 1.00 0.00 C ATOM 617 O GLU A 44 -4.058 10.792 0.058 1.00 0.00 O ATOM 618 CB GLU A 44 -2.843 13.794 -0.711 1.00 0.00 C ATOM 619 CG GLU A 44 -2.316 15.185 -0.400 1.00 0.00 C ATOM 620 CD GLU A 44 -3.425 16.208 -0.247 1.00 0.00 C ATOM 621 OE1 GLU A 44 -4.083 16.525 -1.260 1.00 0.00 O ATOM 622 OE2 GLU A 44 -3.635 16.691 0.886 1.00 0.00 O ATOM 0 H GLU A 44 -1.470 11.739 0.236 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.460 13.627 1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.110 13.265 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.750 13.883 -1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.729 15.150 0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.643 15.501 -1.197 1.00 0.00 H new ATOM 629 N PRO A 45 -5.533 12.486 0.204 1.00 0.00 N ATOM 630 CA PRO A 45 -6.709 11.651 -0.065 1.00 0.00 C ATOM 631 C PRO A 45 -6.750 11.159 -1.508 1.00 0.00 C ATOM 632 O PRO A 45 -7.662 11.494 -2.265 1.00 0.00 O ATOM 633 CB PRO A 45 -7.885 12.591 0.215 1.00 0.00 C ATOM 634 CG PRO A 45 -7.337 13.959 -0.004 1.00 0.00 C ATOM 635 CD PRO A 45 -5.894 13.900 0.417 1.00 0.00 C ATOM 0 HA PRO A 45 -6.716 10.747 0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.722 12.388 -0.453 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.254 12.471 1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.427 14.252 -1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.885 14.697 0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.273 14.568 -0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.767 14.195 1.459 1.00 0.00 H new ATOM 643 N LEU A 46 -5.756 10.360 -1.883 1.00 0.00 N ATOM 644 CA LEU A 46 -5.677 9.820 -3.236 1.00 0.00 C ATOM 645 C LEU A 46 -5.701 8.295 -3.216 1.00 0.00 C ATOM 646 O LEU A 46 -5.106 7.643 -4.075 1.00 0.00 O ATOM 647 CB LEU A 46 -4.407 10.313 -3.931 1.00 0.00 C ATOM 648 CG LEU A 46 -4.463 11.756 -4.434 1.00 0.00 C ATOM 649 CD1 LEU A 46 -3.081 12.226 -4.859 1.00 0.00 C ATOM 650 CD2 LEU A 46 -5.449 11.880 -5.585 1.00 0.00 C ATOM 0 H LEU A 46 -4.994 10.072 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.546 10.171 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.571 10.218 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.196 9.658 -4.776 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.806 12.393 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.140 13.255 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.401 12.174 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.709 11.587 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.476 12.913 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.136 11.232 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.442 11.584 -5.247 1.00 0.00 H new ATOM 662 N GLY A 47 -6.390 7.731 -2.229 1.00 0.00 N ATOM 663 CA GLY A 47 -6.476 6.287 -2.116 1.00 0.00 C ATOM 664 C GLY A 47 -7.839 5.755 -2.513 1.00 0.00 C ATOM 665 O GLY A 47 -8.726 6.519 -2.893 1.00 0.00 O ATOM 0 H GLY A 47 -6.890 8.248 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.713 5.830 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.259 5.992 -1.089 1.00 0.00 H new ATOM 669 N LYS A 48 -8.008 4.439 -2.424 1.00 0.00 N ATOM 670 CA LYS A 48 -9.272 3.805 -2.776 1.00 0.00 C ATOM 671 C LYS A 48 -9.962 3.242 -1.538 1.00 0.00 C ATOM 672 O LYS A 48 -11.190 3.241 -1.446 1.00 0.00 O ATOM 673 CB LYS A 48 -9.039 2.688 -3.795 1.00 0.00 C ATOM 674 CG LYS A 48 -7.950 1.708 -3.387 1.00 0.00 C ATOM 675 CD LYS A 48 -8.019 0.427 -4.201 1.00 0.00 C ATOM 676 CE LYS A 48 -6.633 -0.095 -4.539 1.00 0.00 C ATOM 677 NZ LYS A 48 -6.689 -1.384 -5.281 1.00 0.00 N ATOM 0 H LYS A 48 -7.285 3.792 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.919 4.563 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.971 2.142 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.775 3.132 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.973 2.172 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.049 1.473 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.568 -0.331 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.574 0.609 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.103 0.645 -5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.062 -0.230 -3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.798 -1.903 -5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.481 -1.956 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.827 -1.195 -6.294 1.00 0.00 H new ATOM 691 N ASN A 49 -9.165 2.764 -0.588 1.00 0.00 N ATOM 692 CA ASN A 49 -9.700 2.198 0.645 1.00 0.00 C ATOM 693 C ASN A 49 -8.875 2.643 1.849 1.00 0.00 C ATOM 694 O ASN A 49 -7.971 3.469 1.725 1.00 0.00 O ATOM 695 CB ASN A 49 -9.721 0.671 0.564 1.00 0.00 C ATOM 696 CG ASN A 49 -10.469 0.169 -0.656 1.00 0.00 C ATOM 697 OD1 ASN A 49 -11.691 0.294 -0.744 1.00 0.00 O ATOM 698 ND2 ASN A 49 -9.737 -0.405 -1.605 1.00 0.00 N ATOM 0 H ASN A 49 -8.147 2.757 -0.648 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.720 2.562 0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.698 0.297 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.186 0.268 1.464 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.185 -0.763 -2.448 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.727 -0.487 -1.490 1.00 0.00 H new ATOM 705 N ASP A 50 -9.194 2.089 3.015 1.00 0.00 N ATOM 706 CA ASP A 50 -8.484 2.429 4.242 1.00 0.00 C ATOM 707 C ASP A 50 -7.847 1.189 4.863 1.00 0.00 C ATOM 708 O ASP A 50 -7.820 1.036 6.084 1.00 0.00 O ATOM 709 CB ASP A 50 -9.437 3.081 5.245 1.00 0.00 C ATOM 710 CG ASP A 50 -10.731 2.305 5.402 1.00 0.00 C ATOM 711 OD1 ASP A 50 -11.645 2.500 4.574 1.00 0.00 O ATOM 712 OD2 ASP A 50 -10.830 1.503 6.354 1.00 0.00 O ATOM 0 H ASP A 50 -9.939 1.403 3.135 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.694 3.136 3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.943 3.158 6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.663 4.097 4.920 1.00 0.00 H new ATOM 717 N GLY A 51 -7.334 0.306 4.012 1.00 0.00 N ATOM 718 CA GLY A 51 -6.704 -0.909 4.496 1.00 0.00 C ATOM 719 C GLY A 51 -7.712 -1.932 4.978 1.00 0.00 C ATOM 720 O GLY A 51 -7.412 -2.744 5.853 1.00 0.00 O ATOM 0 H GLY A 51 -7.343 0.410 2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.102 -1.345 3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.024 -0.662 5.311 1.00 0.00 H new ATOM 724 N ALA A 52 -8.912 -1.894 4.408 1.00 0.00 N ATOM 725 CA ALA A 52 -9.968 -2.825 4.784 1.00 0.00 C ATOM 726 C ALA A 52 -10.592 -3.476 3.554 1.00 0.00 C ATOM 727 O ALA A 52 -11.206 -2.801 2.728 1.00 0.00 O ATOM 728 CB ALA A 52 -11.032 -2.111 5.603 1.00 0.00 C ATOM 0 H ALA A 52 -9.177 -1.227 3.683 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.524 -3.613 5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.815 -2.818 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.581 -1.700 6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.464 -1.302 5.013 1.00 0.00 H new ATOM 734 N VAL A 53 -10.430 -4.789 3.440 1.00 0.00 N ATOM 735 CA VAL A 53 -10.977 -5.532 2.310 1.00 0.00 C ATOM 736 C VAL A 53 -12.121 -6.438 2.750 1.00 0.00 C ATOM 737 O VAL A 53 -11.898 -7.490 3.351 1.00 0.00 O ATOM 738 CB VAL A 53 -9.896 -6.387 1.623 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.432 -6.993 0.335 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.651 -5.557 1.352 1.00 0.00 C ATOM 0 H VAL A 53 -9.924 -5.361 4.116 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.353 -4.795 1.600 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.623 -7.201 2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.654 -7.594 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.291 -7.625 0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.735 -6.196 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.898 -6.178 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.906 -4.720 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.255 -5.177 2.294 1.00 0.00 H new ATOM 750 N ALA A 54 -13.347 -6.024 2.449 1.00 0.00 N ATOM 751 CA ALA A 54 -14.526 -6.798 2.813 1.00 0.00 C ATOM 752 C ALA A 54 -14.618 -6.981 4.324 1.00 0.00 C ATOM 753 O ALA A 54 -15.026 -8.036 4.808 1.00 0.00 O ATOM 754 CB ALA A 54 -14.506 -8.150 2.116 1.00 0.00 C ATOM 0 H ALA A 54 -13.549 -5.156 1.953 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.407 -6.246 2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -15.393 -8.718 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.497 -8.003 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.614 -8.700 2.414 1.00 0.00 H new ATOM 760 N GLY A 55 -14.234 -5.946 5.064 1.00 0.00 N ATOM 761 CA GLY A 55 -14.281 -6.012 6.513 1.00 0.00 C ATOM 762 C GLY A 55 -12.942 -6.383 7.120 1.00 0.00 C ATOM 763 O GLY A 55 -12.635 -5.995 8.247 1.00 0.00 O ATOM 0 H GLY A 55 -13.891 -5.063 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.601 -5.047 6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.029 -6.744 6.816 1.00 0.00 H new ATOM 767 N THR A 56 -12.142 -7.136 6.370 1.00 0.00 N ATOM 768 CA THR A 56 -10.830 -7.558 6.841 1.00 0.00 C ATOM 769 C THR A 56 -9.854 -6.386 6.858 1.00 0.00 C ATOM 770 O THR A 56 -9.392 -5.936 5.809 1.00 0.00 O ATOM 771 CB THR A 56 -10.283 -8.679 5.956 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.199 -9.758 5.888 1.00 0.00 O ATOM 773 CG2 THR A 56 -8.958 -9.231 6.437 1.00 0.00 C ATOM 0 H THR A 56 -12.381 -7.465 5.435 1.00 0.00 H new ATOM 0 HA THR A 56 -10.941 -7.930 7.860 1.00 0.00 H new ATOM 0 HB THR A 56 -10.134 -8.225 4.976 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.831 -10.464 5.316 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.628 -10.022 5.764 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.215 -8.433 6.452 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.076 -9.635 7.442 1.00 0.00 H new ATOM 781 N ARG A 57 -9.544 -5.896 8.054 1.00 0.00 N ATOM 782 CA ARG A 57 -8.623 -4.777 8.207 1.00 0.00 C ATOM 783 C ARG A 57 -7.278 -5.249 8.749 1.00 0.00 C ATOM 784 O ARG A 57 -7.177 -5.674 9.900 1.00 0.00 O ATOM 785 CB ARG A 57 -9.220 -3.722 9.139 1.00 0.00 C ATOM 786 CG ARG A 57 -8.360 -2.475 9.277 1.00 0.00 C ATOM 787 CD ARG A 57 -9.183 -1.206 9.116 1.00 0.00 C ATOM 788 NE ARG A 57 -10.345 -1.190 10.002 1.00 0.00 N ATOM 789 CZ ARG A 57 -11.230 -0.197 10.045 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.091 0.860 9.255 1.00 0.00 N ATOM 791 NH2 ARG A 57 -12.257 -0.262 10.881 1.00 0.00 N ATOM 0 H ARG A 57 -9.918 -6.257 8.932 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.462 -4.334 7.224 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.204 -3.435 8.767 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.368 -4.162 10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.875 -2.473 10.253 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.569 -2.493 8.528 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.556 -0.339 9.325 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.515 -1.118 8.081 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.486 -1.986 10.624 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.303 0.915 8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.773 1.618 9.293 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.368 -1.072 11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.936 0.498 10.915 1.00 0.00 H new ATOM 805 N TYR A 58 -6.248 -5.172 7.912 1.00 0.00 N ATOM 806 CA TYR A 58 -4.909 -5.592 8.308 1.00 0.00 C ATOM 807 C TYR A 58 -4.200 -4.488 9.085 1.00 0.00 C ATOM 808 O TYR A 58 -3.384 -4.760 9.966 1.00 0.00 O ATOM 809 CB TYR A 58 -4.087 -5.973 7.076 1.00 0.00 C ATOM 810 CG TYR A 58 -4.826 -6.871 6.108 1.00 0.00 C ATOM 811 CD1 TYR A 58 -4.856 -8.247 6.293 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.494 -6.342 5.011 1.00 0.00 C ATOM 813 CE1 TYR A 58 -5.531 -9.071 5.412 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.171 -7.159 4.126 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.185 -8.522 4.331 1.00 0.00 C ATOM 816 OH TYR A 58 -6.858 -9.339 3.451 1.00 0.00 O ATOM 0 H TYR A 58 -6.315 -4.823 6.956 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.005 -6.463 8.956 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.784 -5.064 6.556 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.175 -6.474 7.399 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.344 -8.680 7.139 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.484 -5.275 4.847 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.546 -10.139 5.570 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.686 -6.732 3.278 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.266 -8.794 2.745 1.00 0.00 H new ATOM 826 N PHE A 59 -4.516 -3.241 8.752 1.00 0.00 N ATOM 827 CA PHE A 59 -3.909 -2.094 9.419 1.00 0.00 C ATOM 828 C PHE A 59 -4.902 -0.942 9.532 1.00 0.00 C ATOM 829 O PHE A 59 -5.584 -0.600 8.565 1.00 0.00 O ATOM 830 CB PHE A 59 -2.663 -1.637 8.658 1.00 0.00 C ATOM 831 CG PHE A 59 -2.944 -1.215 7.244 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.094 -2.161 6.242 1.00 0.00 C ATOM 833 CD2 PHE A 59 -3.060 0.125 6.916 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.353 -1.777 4.941 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.320 0.516 5.616 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.467 -0.437 4.627 1.00 0.00 C ATOM 0 H PHE A 59 -5.189 -2.999 8.025 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.620 -2.400 10.425 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.206 -0.805 9.193 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.935 -2.448 8.649 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.007 -3.211 6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.946 0.874 7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.466 -2.524 4.170 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.408 1.565 5.374 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.671 -0.135 3.610 1.00 0.00 H new ATOM 846 N GLN A 60 -4.977 -0.346 10.717 1.00 0.00 N ATOM 847 CA GLN A 60 -5.887 0.768 10.955 1.00 0.00 C ATOM 848 C GLN A 60 -5.420 2.019 10.218 1.00 0.00 C ATOM 849 O GLN A 60 -4.319 2.515 10.452 1.00 0.00 O ATOM 850 CB GLN A 60 -5.992 1.056 12.455 1.00 0.00 C ATOM 851 CG GLN A 60 -7.079 2.058 12.806 1.00 0.00 C ATOM 852 CD GLN A 60 -8.462 1.584 12.403 1.00 0.00 C ATOM 853 OE1 GLN A 60 -9.066 0.749 13.077 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.971 2.117 11.298 1.00 0.00 N ATOM 0 H GLN A 60 -4.419 -0.616 11.527 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.870 0.489 10.575 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.185 0.122 12.983 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.033 1.432 12.813 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.062 2.246 13.880 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.866 3.007 12.313 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.435 2.806 10.770 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.898 1.837 10.977 1.00 0.00 H new ATOM 863 N CYS A 61 -6.266 2.523 9.325 1.00 0.00 N ATOM 864 CA CYS A 61 -5.940 3.717 8.553 1.00 0.00 C ATOM 865 C CYS A 61 -7.192 4.545 8.273 1.00 0.00 C ATOM 866 O CYS A 61 -8.293 4.005 8.170 1.00 0.00 O ATOM 867 CB CYS A 61 -5.264 3.328 7.236 1.00 0.00 C ATOM 868 SG CYS A 61 -3.461 3.467 7.262 1.00 0.00 S ATOM 0 H CYS A 61 -7.182 2.124 9.118 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.252 4.324 9.142 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.535 2.301 6.990 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.655 3.960 6.439 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.934 2.353 6.849 1.00 0.00 H new ATOM 874 N PRO A 62 -7.038 5.873 8.147 1.00 0.00 N ATOM 875 CA PRO A 62 -8.162 6.778 7.879 1.00 0.00 C ATOM 876 C PRO A 62 -8.736 6.587 6.477 1.00 0.00 C ATOM 877 O PRO A 62 -8.030 6.171 5.559 1.00 0.00 O ATOM 878 CB PRO A 62 -7.543 8.170 8.019 1.00 0.00 C ATOM 879 CG PRO A 62 -6.092 7.974 7.750 1.00 0.00 C ATOM 880 CD PRO A 62 -5.758 6.598 8.256 1.00 0.00 C ATOM 0 HA PRO A 62 -8.998 6.601 8.556 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.985 8.872 7.311 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.708 8.577 9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.878 8.061 6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.495 8.732 8.258 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.978 6.128 7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.398 6.625 9.284 1.00 0.00 H new ATOM 888 N PRO A 63 -10.035 6.889 6.292 1.00 0.00 N ATOM 889 CA PRO A 63 -10.702 6.748 4.993 1.00 0.00 C ATOM 890 C PRO A 63 -9.987 7.512 3.886 1.00 0.00 C ATOM 891 O PRO A 63 -9.584 8.662 4.071 1.00 0.00 O ATOM 892 CB PRO A 63 -12.094 7.339 5.236 1.00 0.00 C ATOM 893 CG PRO A 63 -12.307 7.226 6.705 1.00 0.00 C ATOM 894 CD PRO A 63 -10.951 7.390 7.333 1.00 0.00 C ATOM 0 HA PRO A 63 -10.718 5.711 4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.145 8.377 4.908 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.858 6.792 4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.997 7.992 7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.743 6.261 6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.746 8.431 7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.863 6.818 8.256 1.00 0.00 H new ATOM 902 N LYS A 64 -9.833 6.868 2.733 1.00 0.00 N ATOM 903 CA LYS A 64 -9.167 7.488 1.592 1.00 0.00 C ATOM 904 C LYS A 64 -7.721 7.839 1.928 1.00 0.00 C ATOM 905 O LYS A 64 -7.370 9.012 2.060 1.00 0.00 O ATOM 906 CB LYS A 64 -9.924 8.745 1.156 1.00 0.00 C ATOM 907 CG LYS A 64 -11.409 8.515 0.934 1.00 0.00 C ATOM 908 CD LYS A 64 -11.706 8.145 -0.509 1.00 0.00 C ATOM 909 CE LYS A 64 -11.430 6.674 -0.776 1.00 0.00 C ATOM 910 NZ LYS A 64 -12.065 6.209 -2.040 1.00 0.00 N ATOM 0 H LYS A 64 -10.160 5.917 2.564 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.164 6.771 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.794 9.518 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.482 9.124 0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.758 7.720 1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.962 9.416 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.749 8.367 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.098 8.757 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.354 6.511 -0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.802 6.078 0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.925 5.184 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.083 6.418 -2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.631 6.700 -2.848 1.00 0.00 H new ATOM 924 N PHE A 65 -6.886 6.815 2.064 1.00 0.00 N ATOM 925 CA PHE A 65 -5.477 7.015 2.383 1.00 0.00 C ATOM 926 C PHE A 65 -4.654 5.787 2.003 1.00 0.00 C ATOM 927 O PHE A 65 -3.583 5.906 1.407 1.00 0.00 O ATOM 928 CB PHE A 65 -5.307 7.317 3.872 1.00 0.00 C ATOM 929 CG PHE A 65 -5.429 8.777 4.206 1.00 0.00 C ATOM 930 CD1 PHE A 65 -4.350 9.631 4.045 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.625 9.296 4.678 1.00 0.00 C ATOM 932 CE1 PHE A 65 -4.459 10.974 4.351 1.00 0.00 C ATOM 933 CE2 PHE A 65 -6.740 10.638 4.986 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.656 11.479 4.822 1.00 0.00 C ATOM 0 H PHE A 65 -7.160 5.838 1.958 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.116 7.865 1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.056 6.760 4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.331 6.958 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.412 9.242 3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.476 8.644 4.806 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.610 11.628 4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.677 11.029 5.355 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.744 12.528 5.061 1.00 0.00 H new ATOM 944 N GLY A 66 -5.162 4.609 2.352 1.00 0.00 N ATOM 945 CA GLY A 66 -4.461 3.378 2.039 1.00 0.00 C ATOM 946 C GLY A 66 -4.838 2.828 0.677 1.00 0.00 C ATOM 947 O GLY A 66 -6.011 2.829 0.303 1.00 0.00 O ATOM 0 H GLY A 66 -6.046 4.485 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.386 3.557 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.683 2.633 2.803 1.00 0.00 H new ATOM 951 N LEU A 67 -3.842 2.355 -0.065 1.00 0.00 N ATOM 952 CA LEU A 67 -4.076 1.799 -1.393 1.00 0.00 C ATOM 953 C LEU A 67 -3.373 0.456 -1.553 1.00 0.00 C ATOM 954 O LEU A 67 -2.146 0.376 -1.506 1.00 0.00 O ATOM 955 CB LEU A 67 -3.592 2.774 -2.468 1.00 0.00 C ATOM 956 CG LEU A 67 -3.802 2.303 -3.911 1.00 0.00 C ATOM 957 CD1 LEU A 67 -4.474 3.390 -4.737 1.00 0.00 C ATOM 958 CD2 LEU A 67 -2.477 1.898 -4.539 1.00 0.00 C ATOM 0 H LEU A 67 -2.866 2.346 0.230 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.148 1.642 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.107 3.725 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.530 2.963 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.456 1.431 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.614 3.036 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.443 3.632 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.847 4.281 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.646 1.566 -5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.799 2.752 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.035 1.085 -3.963 1.00 0.00 H new ATOM 970 N PHE A 68 -4.160 -0.599 -1.742 1.00 0.00 N ATOM 971 CA PHE A 68 -3.613 -1.941 -1.909 1.00 0.00 C ATOM 972 C PHE A 68 -3.092 -2.143 -3.329 1.00 0.00 C ATOM 973 O PHE A 68 -3.844 -2.038 -4.297 1.00 0.00 O ATOM 974 CB PHE A 68 -4.678 -2.991 -1.591 1.00 0.00 C ATOM 975 CG PHE A 68 -4.928 -3.166 -0.119 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.905 -3.561 0.727 1.00 0.00 C ATOM 977 CD2 PHE A 68 -6.184 -2.935 0.416 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.131 -3.723 2.081 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.417 -3.095 1.768 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.389 -3.490 2.602 1.00 0.00 C ATOM 0 H PHE A 68 -5.178 -0.550 -1.783 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.780 -2.056 -1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.611 -2.710 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.372 -3.947 -2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.920 -3.744 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.991 -2.626 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.325 -4.031 2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.401 -2.912 2.173 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.569 -3.616 3.659 1.00 0.00 H new ATOM 990 N ALA A 69 -1.800 -2.435 -3.444 1.00 0.00 N ATOM 991 CA ALA A 69 -1.180 -2.653 -4.745 1.00 0.00 C ATOM 992 C ALA A 69 -0.198 -3.821 -4.695 1.00 0.00 C ATOM 993 O ALA A 69 0.427 -4.072 -3.666 1.00 0.00 O ATOM 994 CB ALA A 69 -0.476 -1.388 -5.211 1.00 0.00 C ATOM 0 H ALA A 69 -1.163 -2.526 -2.652 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.965 -2.902 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.017 -1.564 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.200 -0.578 -5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.295 -1.114 -4.491 1.00 0.00 H new ATOM 1000 N PRO A 70 -0.049 -4.552 -5.814 1.00 0.00 N ATOM 1001 CA PRO A 70 0.865 -5.697 -5.891 1.00 0.00 C ATOM 1002 C PRO A 70 2.283 -5.334 -5.465 1.00 0.00 C ATOM 1003 O PRO A 70 2.750 -4.222 -5.715 1.00 0.00 O ATOM 1004 CB PRO A 70 0.833 -6.083 -7.372 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.473 -5.571 -7.872 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.755 -4.321 -7.088 1.00 0.00 C ATOM 0 HA PRO A 70 0.564 -6.503 -5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.666 -5.637 -7.915 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.910 -7.163 -7.501 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.426 -5.359 -8.940 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.262 -6.309 -7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.382 -3.433 -7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.824 -4.175 -6.935 1.00 0.00 H new ATOM 1014 N ILE A 71 2.964 -6.277 -4.822 1.00 0.00 N ATOM 1015 CA ILE A 71 4.328 -6.053 -4.361 1.00 0.00 C ATOM 1016 C ILE A 71 5.256 -5.714 -5.526 1.00 0.00 C ATOM 1017 O ILE A 71 6.044 -4.772 -5.448 1.00 0.00 O ATOM 1018 CB ILE A 71 4.878 -7.286 -3.612 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.271 -6.994 -3.050 1.00 0.00 C ATOM 1020 CG2 ILE A 71 4.913 -8.498 -4.531 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.500 -7.573 -1.671 1.00 0.00 C ATOM 0 H ILE A 71 2.593 -7.203 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 71 4.296 -5.208 -3.674 1.00 0.00 H new ATOM 0 HB ILE A 71 4.212 -7.509 -2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.021 -7.395 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.419 -5.915 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.303 -9.357 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.905 -8.718 -4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.556 -8.288 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.508 -7.327 -1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.774 -7.154 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.384 -8.656 -1.707 1.00 0.00 H new ATOM 1033 N HIS A 72 5.156 -6.487 -6.603 1.00 0.00 N ATOM 1034 CA HIS A 72 5.988 -6.262 -7.779 1.00 0.00 C ATOM 1035 C HIS A 72 5.685 -4.908 -8.416 1.00 0.00 C ATOM 1036 O HIS A 72 6.493 -4.378 -9.181 1.00 0.00 O ATOM 1037 CB HIS A 72 5.779 -7.379 -8.803 1.00 0.00 C ATOM 1038 CG HIS A 72 4.338 -7.687 -9.072 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.592 -8.577 -8.332 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.505 -7.205 -10.029 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.357 -8.608 -8.851 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.252 -7.793 -9.882 1.00 0.00 N ATOM 0 H HIS A 72 4.510 -7.272 -6.685 1.00 0.00 H new ATOM 0 HA HIS A 72 7.029 -6.265 -7.457 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.262 -7.097 -9.739 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.274 -8.283 -8.448 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.772 -6.481 -10.784 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.552 -9.221 -8.474 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.424 -7.628 -10.454 1.00 0.00 H new ATOM 1050 N LYS A 73 4.521 -4.349 -8.098 1.00 0.00 N ATOM 1051 CA LYS A 73 4.121 -3.056 -8.641 1.00 0.00 C ATOM 1052 C LYS A 73 4.448 -1.927 -7.668 1.00 0.00 C ATOM 1053 O LYS A 73 3.835 -0.859 -7.713 1.00 0.00 O ATOM 1054 CB LYS A 73 2.624 -3.053 -8.955 1.00 0.00 C ATOM 1055 CG LYS A 73 2.240 -3.974 -10.102 1.00 0.00 C ATOM 1056 CD LYS A 73 2.125 -3.214 -11.414 1.00 0.00 C ATOM 1057 CE LYS A 73 0.958 -3.715 -12.248 1.00 0.00 C ATOM 1058 NZ LYS A 73 0.821 -2.958 -13.523 1.00 0.00 N ATOM 0 H LYS A 73 3.839 -4.771 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 73 4.681 -2.890 -9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.074 -3.350 -8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.314 -2.036 -9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.986 -4.763 -10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.290 -4.460 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.998 -2.151 -11.210 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.050 -3.321 -11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.097 -4.774 -12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.036 -3.627 -11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.014 -3.330 -14.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.663 -1.952 -13.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.690 -3.063 -14.084 1.00 0.00 H new ATOM 1072 N VAL A 74 5.417 -2.166 -6.788 1.00 0.00 N ATOM 1073 CA VAL A 74 5.821 -1.164 -5.807 1.00 0.00 C ATOM 1074 C VAL A 74 7.309 -0.853 -5.922 1.00 0.00 C ATOM 1075 O VAL A 74 8.138 -1.759 -6.011 1.00 0.00 O ATOM 1076 CB VAL A 74 5.515 -1.628 -4.371 1.00 0.00 C ATOM 1077 CG1 VAL A 74 5.749 -0.495 -3.383 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.088 -2.151 -4.269 1.00 0.00 C ATOM 0 H VAL A 74 5.936 -3.043 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 74 5.246 -0.263 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 74 6.193 -2.444 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.528 -0.841 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.789 -0.174 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.098 0.343 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.891 -2.474 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.390 -1.359 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.960 -2.995 -4.947 1.00 0.00 H new ATOM 1088 N ILE A 75 7.642 0.434 -5.920 1.00 0.00 N ATOM 1089 CA ILE A 75 9.032 0.864 -6.023 1.00 0.00 C ATOM 1090 C ILE A 75 9.527 1.443 -4.703 1.00 0.00 C ATOM 1091 O ILE A 75 8.787 2.131 -3.999 1.00 0.00 O ATOM 1092 CB ILE A 75 9.212 1.917 -7.132 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.541 1.449 -8.424 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.690 2.193 -7.365 1.00 0.00 C ATOM 1095 CD1 ILE A 75 8.581 2.477 -9.533 1.00 0.00 C ATOM 0 H ILE A 75 6.969 1.197 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 75 9.620 -0.020 -6.272 1.00 0.00 H new ATOM 0 HB ILE A 75 8.735 2.844 -6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.029 0.537 -8.767 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.502 1.195 -8.213 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.801 2.939 -8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.140 2.566 -6.445 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.189 1.272 -7.666 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.087 2.077 -10.418 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.067 3.382 -9.209 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.618 2.714 -9.772 1.00 0.00 H new ATOM 1107 N ARG A 76 10.784 1.161 -4.373 1.00 0.00 N ATOM 1108 CA ARG A 76 11.378 1.656 -3.137 1.00 0.00 C ATOM 1109 C ARG A 76 12.166 2.938 -3.387 1.00 0.00 C ATOM 1110 O ARG A 76 12.761 3.116 -4.449 1.00 0.00 O ATOM 1111 CB ARG A 76 12.291 0.591 -2.525 1.00 0.00 C ATOM 1112 CG ARG A 76 12.160 0.472 -1.015 1.00 0.00 C ATOM 1113 CD ARG A 76 13.232 -0.434 -0.433 1.00 0.00 C ATOM 1114 NE ARG A 76 12.824 -1.838 -0.437 1.00 0.00 N ATOM 1115 CZ ARG A 76 13.485 -2.804 0.196 1.00 0.00 C ATOM 1116 NH1 ARG A 76 14.586 -2.524 0.885 1.00 0.00 N ATOM 1117 NH2 ARG A 76 13.045 -4.054 0.141 1.00 0.00 N ATOM 0 H ARG A 76 11.410 0.593 -4.944 1.00 0.00 H new ATOM 0 HA ARG A 76 10.572 1.879 -2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.064 -0.374 -2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.326 0.825 -2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.234 1.461 -0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.175 0.079 -0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.152 -0.322 -1.007 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.454 -0.124 0.588 1.00 0.00 H new ATOM 0 HE ARG A 76 11.983 -2.092 -0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.929 -1.564 0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.088 -3.269 1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.200 -4.275 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.551 -4.795 0.626 1.00 0.00 H new ATOM 1131 N ILE A 77 12.165 3.829 -2.400 1.00 0.00 N ATOM 1132 CA ILE A 77 12.879 5.094 -2.512 1.00 0.00 C ATOM 1133 C ILE A 77 14.177 5.065 -1.713 1.00 0.00 C ATOM 1134 O ILE A 77 15.157 5.713 -2.077 1.00 0.00 O ATOM 1135 CB ILE A 77 12.015 6.272 -2.024 1.00 0.00 C ATOM 1136 CG1 ILE A 77 10.626 6.213 -2.662 1.00 0.00 C ATOM 1137 CG2 ILE A 77 12.695 7.595 -2.343 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.700 7.316 -2.197 1.00 0.00 C ATOM 0 H ILE A 77 11.677 3.697 -1.514 1.00 0.00 H new ATOM 0 HA ILE A 77 13.109 5.235 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 77 11.901 6.196 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.730 6.270 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.172 5.248 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 77 12.072 8.418 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 77 13.664 7.635 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.837 7.681 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.734 7.212 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.566 7.247 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.133 8.284 -2.448 1.00 0.00 H new