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 Single : A 19 THR OG1 : rot -73:sc= 0.356 USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= -1.48 (180deg=-1.89) USER MOD Single : A 21 THR OG1 : rot 40:sc= 0.168 USER MOD Single : A 26 TYR OH : rot 94:sc= 0.167 USER MOD Single : A 30 THR OG1 : rot -145:sc= 1.45 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 28:sc= -0.872 USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= -0.0694 (180deg=-0.758) USER MOD Single : A 49 ASN : amide:sc= -0.284 K(o=-0.28,f=-8.2!) 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= -0.0836 X(o=-0.084,f=-0.085) USER MOD Single : A 61 CYS SG : rot -135:sc= -0.538 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-2.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 8 9.982 -6.061 1.586 1.00 0.00 N ATOM 69 CA LEU A 8 9.410 -4.786 2.002 1.00 0.00 C ATOM 70 C LEU A 8 8.883 -4.867 3.430 1.00 0.00 C ATOM 71 O LEU A 8 7.949 -5.616 3.716 1.00 0.00 O ATOM 72 CB LEU A 8 8.283 -4.374 1.052 1.00 0.00 C ATOM 73 CG LEU A 8 8.667 -4.333 -0.428 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.432 -4.479 -1.305 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.402 -3.041 -0.751 1.00 0.00 C ATOM 0 HA LEU A 8 10.198 -4.034 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.451 -5.067 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.923 -3.388 1.346 1.00 0.00 H new ATOM 0 HG LEU A 8 9.334 -5.170 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.725 -4.447 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.945 -5.431 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.740 -3.663 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.668 -3.028 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.758 -2.190 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.308 -2.977 -0.148 1.00 0.00 H new ATOM 87 N ARG A 9 9.488 -4.091 4.324 1.00 0.00 N ATOM 88 CA ARG A 9 9.081 -4.075 5.724 1.00 0.00 C ATOM 89 C ARG A 9 8.207 -2.860 6.022 1.00 0.00 C ATOM 90 O ARG A 9 8.041 -1.980 5.178 1.00 0.00 O ATOM 91 CB ARG A 9 10.310 -4.069 6.634 1.00 0.00 C ATOM 92 CG ARG A 9 11.275 -2.931 6.344 1.00 0.00 C ATOM 93 CD ARG A 9 12.190 -2.660 7.528 1.00 0.00 C ATOM 94 NE ARG A 9 13.523 -3.222 7.329 1.00 0.00 N ATOM 95 CZ ARG A 9 14.398 -3.419 8.313 1.00 0.00 C ATOM 96 NH1 ARG A 9 14.085 -3.100 9.563 1.00 0.00 N ATOM 97 NH2 ARG A 9 15.590 -3.935 8.047 1.00 0.00 N ATOM 0 H ARG A 9 10.262 -3.465 4.103 1.00 0.00 H new ATOM 0 HA ARG A 9 8.499 -4.976 5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.983 -4.002 7.672 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.836 -5.017 6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.875 -3.176 5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.713 -2.029 6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.270 -1.584 7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.749 -3.083 8.431 1.00 0.00 H new ATOM 0 HE ARG A 9 13.800 -3.478 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.170 -2.702 9.774 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.760 -3.253 10.313 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.837 -4.181 7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.260 -4.086 8.801 1.00 0.00 H new ATOM 111 N LEU A 10 7.650 -2.820 7.228 1.00 0.00 N ATOM 112 CA LEU A 10 6.794 -1.714 7.638 1.00 0.00 C ATOM 113 C LEU A 10 7.603 -0.431 7.804 1.00 0.00 C ATOM 114 O LEU A 10 8.744 -0.461 8.265 1.00 0.00 O ATOM 115 CB LEU A 10 6.080 -2.052 8.949 1.00 0.00 C ATOM 116 CG LEU A 10 5.223 -3.318 8.911 1.00 0.00 C ATOM 117 CD1 LEU A 10 4.587 -3.574 10.269 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.155 -3.206 7.833 1.00 0.00 C ATOM 0 H LEU A 10 7.776 -3.541 7.938 1.00 0.00 H new ATOM 0 HA LEU A 10 6.050 -1.555 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.828 -2.161 9.735 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.446 -1.210 9.227 1.00 0.00 H new ATOM 0 HG LEU A 10 5.868 -4.163 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.981 -4.479 10.222 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.368 -3.699 11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.955 -2.728 10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.554 -4.116 7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.513 -2.350 8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.631 -3.072 6.862 1.00 0.00 H new ATOM 130 N GLY A 11 7.005 0.693 7.424 1.00 0.00 N ATOM 131 CA GLY A 11 7.685 1.970 7.538 1.00 0.00 C ATOM 132 C GLY A 11 8.670 2.206 6.411 1.00 0.00 C ATOM 133 O GLY A 11 9.713 2.830 6.610 1.00 0.00 O ATOM 0 H GLY A 11 6.062 0.743 7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.947 2.772 7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.212 2.014 8.491 1.00 0.00 H new ATOM 137 N ASP A 12 8.341 1.707 5.224 1.00 0.00 N ATOM 138 CA ASP A 12 9.205 1.867 4.060 1.00 0.00 C ATOM 139 C ASP A 12 8.559 2.783 3.027 1.00 0.00 C ATOM 140 O ASP A 12 7.458 2.516 2.546 1.00 0.00 O ATOM 141 CB ASP A 12 9.507 0.505 3.433 1.00 0.00 C ATOM 142 CG ASP A 12 10.645 -0.213 4.132 1.00 0.00 C ATOM 143 OD1 ASP A 12 10.869 0.055 5.331 1.00 0.00 O ATOM 144 OD2 ASP A 12 11.310 -1.045 3.481 1.00 0.00 O ATOM 0 H ASP A 12 7.482 1.188 5.043 1.00 0.00 H new ATOM 0 HA ASP A 12 10.139 2.322 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.612 -0.116 3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.758 0.640 2.381 1.00 0.00 H new ATOM 149 N ARG A 13 9.252 3.866 2.689 1.00 0.00 N ATOM 150 CA ARG A 13 8.747 4.823 1.712 1.00 0.00 C ATOM 151 C ARG A 13 8.789 4.238 0.304 1.00 0.00 C ATOM 152 O ARG A 13 9.861 4.062 -0.275 1.00 0.00 O ATOM 153 CB ARG A 13 9.567 6.113 1.765 1.00 0.00 C ATOM 154 CG ARG A 13 9.090 7.093 2.826 1.00 0.00 C ATOM 155 CD ARG A 13 9.822 6.888 4.142 1.00 0.00 C ATOM 156 NE ARG A 13 9.747 8.068 5.000 1.00 0.00 N ATOM 157 CZ ARG A 13 10.570 8.294 6.022 1.00 0.00 C ATOM 158 NH1 ARG A 13 11.529 7.425 6.317 1.00 0.00 N ATOM 159 NH2 ARG A 13 10.432 9.393 6.752 1.00 0.00 N ATOM 0 H ARG A 13 10.165 4.102 3.078 1.00 0.00 H new ATOM 0 HA ARG A 13 7.710 5.047 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.611 5.863 1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.529 6.599 0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.246 8.114 2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.018 6.970 2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.395 6.032 4.665 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.867 6.651 3.942 1.00 0.00 H new ATOM 0 HE ARG A 13 9.022 8.759 4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.639 6.578 5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.156 7.604 7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.696 10.064 6.530 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.062 9.567 7.535 1.00 0.00 H new ATOM 173 N VAL A 14 7.614 3.940 -0.241 1.00 0.00 N ATOM 174 CA VAL A 14 7.515 3.374 -1.582 1.00 0.00 C ATOM 175 C VAL A 14 6.708 4.281 -2.504 1.00 0.00 C ATOM 176 O VAL A 14 6.102 5.255 -2.056 1.00 0.00 O ATOM 177 CB VAL A 14 6.863 1.979 -1.556 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.748 0.989 -0.816 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.481 2.047 -0.923 1.00 0.00 C ATOM 0 H VAL A 14 6.718 4.081 0.225 1.00 0.00 H new ATOM 0 HA VAL A 14 8.532 3.285 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 14 6.750 1.632 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.270 0.009 -0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.713 0.918 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.896 1.329 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.036 1.052 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.567 2.416 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.849 2.722 -1.501 1.00 0.00 H new ATOM 189 N LEU A 15 6.703 3.954 -3.791 1.00 0.00 N ATOM 190 CA LEU A 15 5.968 4.739 -4.777 1.00 0.00 C ATOM 191 C LEU A 15 4.790 3.945 -5.334 1.00 0.00 C ATOM 192 O LEU A 15 4.968 2.859 -5.886 1.00 0.00 O ATOM 193 CB LEU A 15 6.896 5.165 -5.915 1.00 0.00 C ATOM 194 CG LEU A 15 6.320 6.223 -6.859 1.00 0.00 C ATOM 195 CD1 LEU A 15 5.890 7.456 -6.079 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.338 6.593 -7.926 1.00 0.00 C ATOM 0 H LEU A 15 7.199 3.151 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 15 5.581 5.630 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.821 5.549 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.158 4.283 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 15 5.442 5.806 -7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.483 8.198 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.127 7.179 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.751 7.877 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.913 7.346 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.234 6.992 -7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.598 5.706 -8.504 1.00 0.00 H new ATOM 208 N VAL A 16 3.589 4.493 -5.184 1.00 0.00 N ATOM 209 CA VAL A 16 2.383 3.835 -5.672 1.00 0.00 C ATOM 210 C VAL A 16 2.022 4.318 -7.073 1.00 0.00 C ATOM 211 O VAL A 16 1.822 5.511 -7.297 1.00 0.00 O ATOM 212 CB VAL A 16 1.189 4.081 -4.732 1.00 0.00 C ATOM 213 CG1 VAL A 16 -0.002 3.231 -5.146 1.00 0.00 C ATOM 214 CG2 VAL A 16 1.580 3.799 -3.290 1.00 0.00 C ATOM 0 H VAL A 16 3.425 5.391 -4.729 1.00 0.00 H new ATOM 0 HA VAL A 16 2.596 2.766 -5.703 1.00 0.00 H new ATOM 0 HB VAL A 16 0.900 5.129 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.836 3.419 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.296 3.487 -6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.271 2.177 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.724 3.978 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.897 2.760 -3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.400 4.456 -3.000 1.00 0.00 H new ATOM 224 N GLY A 17 1.939 3.381 -8.012 1.00 0.00 N ATOM 225 CA GLY A 17 1.600 3.730 -9.380 1.00 0.00 C ATOM 226 C GLY A 17 2.619 4.658 -10.013 1.00 0.00 C ATOM 227 O GLY A 17 2.299 5.397 -10.944 1.00 0.00 O ATOM 0 H GLY A 17 2.100 2.387 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.523 2.820 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.620 4.206 -9.398 1.00 0.00 H new ATOM 231 N GLY A 18 3.848 4.620 -9.508 1.00 0.00 N ATOM 232 CA GLY A 18 4.897 5.468 -10.043 1.00 0.00 C ATOM 233 C GLY A 18 4.545 6.941 -9.973 1.00 0.00 C ATOM 234 O GLY A 18 4.847 7.703 -10.893 1.00 0.00 O ATOM 0 H GLY A 18 4.136 4.017 -8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.820 5.292 -9.490 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.089 5.192 -11.080 1.00 0.00 H new ATOM 238 N THR A 19 3.907 7.345 -8.879 1.00 0.00 N ATOM 239 CA THR A 19 3.514 8.737 -8.693 1.00 0.00 C ATOM 240 C THR A 19 3.205 9.025 -7.228 1.00 0.00 C ATOM 241 O THR A 19 3.969 9.704 -6.543 1.00 0.00 O ATOM 242 CB THR A 19 2.295 9.064 -9.557 1.00 0.00 C ATOM 243 OG1 THR A 19 1.396 7.971 -9.591 1.00 0.00 O ATOM 244 CG2 THR A 19 2.651 9.409 -10.987 1.00 0.00 C ATOM 0 H THR A 19 3.651 6.728 -8.108 1.00 0.00 H new ATOM 0 HA THR A 19 4.348 9.368 -9.000 1.00 0.00 H new ATOM 0 HB THR A 19 1.838 9.937 -9.092 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.770 7.257 -10.149 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.741 9.630 -11.545 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.305 10.281 -10.999 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.163 8.565 -11.448 1.00 0.00 H new ATOM 252 N LYS A 20 2.078 8.503 -6.754 1.00 0.00 N ATOM 253 CA LYS A 20 1.666 8.704 -5.369 1.00 0.00 C ATOM 254 C LYS A 20 2.687 8.109 -4.404 1.00 0.00 C ATOM 255 O LYS A 20 2.861 6.892 -4.342 1.00 0.00 O ATOM 256 CB LYS A 20 0.292 8.076 -5.128 1.00 0.00 C ATOM 257 CG LYS A 20 -0.775 8.557 -6.099 1.00 0.00 C ATOM 258 CD LYS A 20 -1.632 7.407 -6.601 1.00 0.00 C ATOM 259 CE LYS A 20 -2.950 7.904 -7.176 1.00 0.00 C ATOM 260 NZ LYS A 20 -3.774 8.603 -6.150 1.00 0.00 N ATOM 0 H LYS A 20 1.434 7.938 -7.308 1.00 0.00 H new ATOM 0 HA LYS A 20 1.605 9.777 -5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.379 6.992 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.027 8.300 -4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.408 9.296 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.301 9.055 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.087 6.852 -7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.829 6.714 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.752 8.582 -8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.511 7.061 -7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.772 8.596 -6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.678 8.116 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.448 9.586 -6.054 1.00 0.00 H new ATOM 274 N THR A 21 3.360 8.975 -3.654 1.00 0.00 N ATOM 275 CA THR A 21 4.364 8.535 -2.693 1.00 0.00 C ATOM 276 C THR A 21 3.718 8.181 -1.357 1.00 0.00 C ATOM 277 O THR A 21 2.983 8.982 -0.779 1.00 0.00 O ATOM 278 CB THR A 21 5.418 9.625 -2.489 1.00 0.00 C ATOM 279 OG1 THR A 21 4.807 10.854 -2.139 1.00 0.00 O ATOM 280 CG2 THR A 21 6.270 9.868 -3.715 1.00 0.00 C ATOM 0 H THR A 21 3.228 9.986 -3.693 1.00 0.00 H new ATOM 0 HA THR A 21 4.847 7.643 -3.092 1.00 0.00 H new ATOM 0 HB THR A 21 6.060 9.261 -1.686 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.064 10.686 -1.523 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.997 10.652 -3.503 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.794 8.950 -3.982 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.634 10.177 -4.545 1.00 0.00 H new ATOM 288 N GLY A 22 3.997 6.976 -0.872 1.00 0.00 N ATOM 289 CA GLY A 22 3.436 6.537 0.392 1.00 0.00 C ATOM 290 C GLY A 22 4.284 5.477 1.066 1.00 0.00 C ATOM 291 O GLY A 22 5.016 4.744 0.403 1.00 0.00 O ATOM 0 H GLY A 22 4.602 6.295 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.334 7.394 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.434 6.143 0.224 1.00 0.00 H new ATOM 295 N VAL A 23 4.185 5.397 2.390 1.00 0.00 N ATOM 296 CA VAL A 23 4.950 4.420 3.155 1.00 0.00 C ATOM 297 C VAL A 23 4.176 3.114 3.306 1.00 0.00 C ATOM 298 O VAL A 23 2.946 3.114 3.363 1.00 0.00 O ATOM 299 CB VAL A 23 5.309 4.957 4.554 1.00 0.00 C ATOM 300 CG1 VAL A 23 6.235 3.992 5.278 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.940 6.338 4.452 1.00 0.00 C ATOM 0 H VAL A 23 3.583 5.997 2.954 1.00 0.00 H new ATOM 0 HA VAL A 23 5.869 4.233 2.600 1.00 0.00 H new ATOM 0 HB VAL A 23 4.390 5.045 5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.476 4.390 6.264 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.741 3.027 5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.152 3.867 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.186 6.700 5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.849 6.280 3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.238 7.025 3.980 1.00 0.00 H new ATOM 311 N VAL A 24 4.904 2.005 3.373 1.00 0.00 N ATOM 312 CA VAL A 24 4.286 0.692 3.518 1.00 0.00 C ATOM 313 C VAL A 24 3.596 0.560 4.872 1.00 0.00 C ATOM 314 O VAL A 24 4.188 0.846 5.913 1.00 0.00 O ATOM 315 CB VAL A 24 5.323 -0.438 3.368 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.641 -1.798 3.385 1.00 0.00 C ATOM 317 CG2 VAL A 24 6.131 -0.257 2.092 1.00 0.00 C ATOM 0 H VAL A 24 5.923 1.989 3.329 1.00 0.00 H new ATOM 0 HA VAL A 24 3.545 0.599 2.724 1.00 0.00 H new ATOM 0 HB VAL A 24 6.007 -0.390 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.390 -2.582 3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.112 -1.928 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.931 -1.859 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.858 -1.065 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.462 -0.276 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.653 0.699 2.125 1.00 0.00 H new ATOM 327 N ARG A 25 2.340 0.124 4.851 1.00 0.00 N ATOM 328 CA ARG A 25 1.569 -0.045 6.077 1.00 0.00 C ATOM 329 C ARG A 25 1.313 -1.522 6.360 1.00 0.00 C ATOM 330 O ARG A 25 1.212 -1.934 7.516 1.00 0.00 O ATOM 331 CB ARG A 25 0.240 0.708 5.975 1.00 0.00 C ATOM 332 CG ARG A 25 0.215 2.006 6.765 1.00 0.00 C ATOM 333 CD ARG A 25 0.247 1.748 8.263 1.00 0.00 C ATOM 334 NE ARG A 25 -0.618 2.668 8.997 1.00 0.00 N ATOM 335 CZ ARG A 25 -1.051 2.450 10.236 1.00 0.00 C ATOM 336 NH1 ARG A 25 -0.702 1.347 10.885 1.00 0.00 N ATOM 337 NH2 ARG A 25 -1.836 3.340 10.830 1.00 0.00 N ATOM 0 H ARG A 25 1.835 -0.118 3.999 1.00 0.00 H new ATOM 0 HA ARG A 25 2.149 0.367 6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.035 0.926 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.563 0.061 6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.069 2.621 6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.682 2.570 6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.065 0.722 8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.270 1.846 8.626 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.907 3.529 8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.098 0.660 10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.038 1.186 11.835 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.107 4.191 10.337 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.168 3.173 11.780 1.00 0.00 H new ATOM 351 N TYR A 26 1.207 -2.316 5.298 1.00 0.00 N ATOM 352 CA TYR A 26 0.962 -3.746 5.436 1.00 0.00 C ATOM 353 C TYR A 26 1.817 -4.544 4.457 1.00 0.00 C ATOM 354 O TYR A 26 2.151 -4.062 3.374 1.00 0.00 O ATOM 355 CB TYR A 26 -0.518 -4.055 5.205 1.00 0.00 C ATOM 356 CG TYR A 26 -0.876 -5.507 5.421 1.00 0.00 C ATOM 357 CD1 TYR A 26 -1.008 -6.027 6.703 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.081 -6.359 4.344 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.333 -7.355 6.905 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.408 -7.688 4.537 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.533 -8.181 5.819 1.00 0.00 C ATOM 362 OH TYR A 26 -1.858 -9.503 6.016 1.00 0.00 O ATOM 0 H TYR A 26 1.287 -1.993 4.334 1.00 0.00 H new ATOM 0 HA TYR A 26 1.235 -4.038 6.450 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.118 -3.439 5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.785 -3.772 4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.854 -5.382 7.556 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.983 -5.977 3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.430 -7.744 7.908 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.565 -8.337 3.688 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.832 -9.606 6.002 1.00 0.00 H new ATOM 372 N VAL A 27 2.170 -5.764 4.847 1.00 0.00 N ATOM 373 CA VAL A 27 2.988 -6.629 4.004 1.00 0.00 C ATOM 374 C VAL A 27 2.648 -8.099 4.233 1.00 0.00 C ATOM 375 O VAL A 27 2.539 -8.551 5.373 1.00 0.00 O ATOM 376 CB VAL A 27 4.489 -6.415 4.271 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.329 -7.188 3.266 1.00 0.00 C ATOM 378 CG2 VAL A 27 4.831 -4.933 4.233 1.00 0.00 C ATOM 0 H VAL A 27 1.903 -6.176 5.741 1.00 0.00 H new ATOM 0 HA VAL A 27 2.768 -6.364 2.970 1.00 0.00 H new ATOM 0 HB VAL A 27 4.718 -6.794 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.386 -7.023 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.105 -8.252 3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.098 -6.844 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.896 -4.800 4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.585 -4.528 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.257 -4.408 4.997 1.00 0.00 H new ATOM 388 N GLY A 28 2.481 -8.839 3.142 1.00 0.00 N ATOM 389 CA GLY A 28 2.156 -10.250 3.246 1.00 0.00 C ATOM 390 C GLY A 28 1.254 -10.722 2.122 1.00 0.00 C ATOM 391 O GLY A 28 0.900 -9.947 1.234 1.00 0.00 O ATOM 0 H GLY A 28 2.565 -8.487 2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.077 -10.833 3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.668 -10.438 4.202 1.00 0.00 H new ATOM 395 N GLU A 29 0.881 -11.998 2.160 1.00 0.00 N ATOM 396 CA GLU A 29 0.016 -12.573 1.137 1.00 0.00 C ATOM 397 C GLU A 29 -1.400 -12.014 1.246 1.00 0.00 C ATOM 398 O GLU A 29 -1.689 -11.194 2.117 1.00 0.00 O ATOM 399 CB GLU A 29 -0.009 -14.099 1.260 1.00 0.00 C ATOM 400 CG GLU A 29 0.427 -14.817 -0.007 1.00 0.00 C ATOM 401 CD GLU A 29 -0.519 -15.937 -0.398 1.00 0.00 C ATOM 402 OE1 GLU A 29 -0.906 -16.724 0.491 1.00 0.00 O ATOM 403 OE2 GLU A 29 -0.871 -16.028 -1.593 1.00 0.00 O ATOM 0 H GLU A 29 1.165 -12.653 2.889 1.00 0.00 H new ATOM 0 HA GLU A 29 0.417 -12.303 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.642 -14.400 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.018 -14.418 1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.490 -14.098 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.427 -15.225 0.137 1.00 0.00 H new ATOM 410 N THR A 30 -2.278 -12.465 0.356 1.00 0.00 N ATOM 411 CA THR A 30 -3.664 -12.010 0.351 1.00 0.00 C ATOM 412 C THR A 30 -4.617 -13.171 0.087 1.00 0.00 C ATOM 413 O THR A 30 -4.190 -14.317 -0.060 1.00 0.00 O ATOM 414 CB THR A 30 -3.861 -10.921 -0.704 1.00 0.00 C ATOM 415 OG1 THR A 30 -3.371 -11.349 -1.962 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.170 -9.620 -0.359 1.00 0.00 C ATOM 0 H THR A 30 -2.055 -13.145 -0.371 1.00 0.00 H new ATOM 0 HA THR A 30 -3.889 -11.597 1.334 1.00 0.00 H new ATOM 0 HB THR A 30 -4.936 -10.743 -0.738 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.991 -10.584 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.351 -8.891 -1.149 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.563 -9.238 0.583 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.098 -9.792 -0.262 1.00 0.00 H new ATOM 424 N ASP A 31 -5.910 -12.867 0.027 1.00 0.00 N ATOM 425 CA ASP A 31 -6.924 -13.885 -0.221 1.00 0.00 C ATOM 426 C ASP A 31 -7.679 -13.597 -1.515 1.00 0.00 C ATOM 427 O ASP A 31 -7.972 -14.508 -2.291 1.00 0.00 O ATOM 428 CB ASP A 31 -7.904 -13.954 0.955 1.00 0.00 C ATOM 429 CG ASP A 31 -7.980 -15.340 1.563 1.00 0.00 C ATOM 430 OD1 ASP A 31 -6.915 -15.905 1.890 1.00 0.00 O ATOM 431 OD2 ASP A 31 -9.105 -15.862 1.713 1.00 0.00 O ATOM 0 H ASP A 31 -6.280 -11.924 0.147 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.422 -14.847 -0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.599 -13.241 1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.896 -13.654 0.616 1.00 0.00 H new ATOM 436 N PHE A 32 -7.991 -12.325 -1.742 1.00 0.00 N ATOM 437 CA PHE A 32 -8.712 -11.918 -2.943 1.00 0.00 C ATOM 438 C PHE A 32 -7.921 -12.270 -4.199 1.00 0.00 C ATOM 439 O PHE A 32 -8.500 -12.556 -5.248 1.00 0.00 O ATOM 440 CB PHE A 32 -8.993 -10.415 -2.908 1.00 0.00 C ATOM 441 CG PHE A 32 -7.800 -9.590 -2.518 1.00 0.00 C ATOM 442 CD1 PHE A 32 -6.816 -9.289 -3.447 1.00 0.00 C ATOM 443 CD2 PHE A 32 -7.662 -9.116 -1.223 1.00 0.00 C ATOM 444 CE1 PHE A 32 -5.717 -8.530 -3.091 1.00 0.00 C ATOM 445 CE2 PHE A 32 -6.565 -8.357 -0.862 1.00 0.00 C ATOM 446 CZ PHE A 32 -5.591 -8.064 -1.797 1.00 0.00 C ATOM 0 H PHE A 32 -7.756 -11.559 -1.111 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.659 -12.458 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.340 -10.096 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.804 -10.221 -2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.909 -9.652 -4.460 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.420 -9.342 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.958 -8.302 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.469 -7.993 0.150 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.733 -7.472 -1.517 1.00 0.00 H new ATOM 456 N ALA A 33 -6.598 -12.245 -4.086 1.00 0.00 N ATOM 457 CA ALA A 33 -5.729 -12.562 -5.212 1.00 0.00 C ATOM 458 C ALA A 33 -4.514 -13.365 -4.762 1.00 0.00 C ATOM 459 O ALA A 33 -4.305 -13.577 -3.567 1.00 0.00 O ATOM 460 CB ALA A 33 -5.290 -11.285 -5.913 1.00 0.00 C ATOM 0 H ALA A 33 -6.104 -12.008 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.295 -13.175 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.641 -11.535 -6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.167 -10.751 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.747 -10.653 -5.211 1.00 0.00 H new ATOM 466 N LYS A 34 -3.715 -13.811 -5.726 1.00 0.00 N ATOM 467 CA LYS A 34 -2.520 -14.592 -5.429 1.00 0.00 C ATOM 468 C LYS A 34 -1.307 -13.684 -5.251 1.00 0.00 C ATOM 469 O LYS A 34 -1.416 -12.461 -5.340 1.00 0.00 O ATOM 470 CB LYS A 34 -2.255 -15.603 -6.545 1.00 0.00 C ATOM 471 CG LYS A 34 -3.219 -16.778 -6.544 1.00 0.00 C ATOM 472 CD LYS A 34 -2.501 -18.092 -6.817 1.00 0.00 C ATOM 473 CE LYS A 34 -3.273 -18.957 -7.800 1.00 0.00 C ATOM 474 NZ LYS A 34 -2.714 -18.869 -9.177 1.00 0.00 N ATOM 0 H LYS A 34 -3.874 -13.645 -6.720 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.690 -15.129 -4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.317 -15.094 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.237 -15.979 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.726 -16.833 -5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.988 -16.619 -7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.506 -17.888 -7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.366 -18.635 -5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.251 -19.994 -7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.318 -18.648 -7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.269 -19.473 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.758 -17.884 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.724 -19.188 -9.171 1.00 0.00 H new ATOM 488 N GLY A 35 -0.152 -14.291 -5.000 1.00 0.00 N ATOM 489 CA GLY A 35 1.064 -13.523 -4.814 1.00 0.00 C ATOM 490 C GLY A 35 1.057 -12.729 -3.522 1.00 0.00 C ATOM 491 O GLY A 35 0.170 -12.899 -2.687 1.00 0.00 O ATOM 0 H GLY A 35 -0.037 -15.301 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.920 -14.198 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.192 -12.841 -5.655 1.00 0.00 H new ATOM 495 N GLU A 36 2.050 -11.861 -3.359 1.00 0.00 N ATOM 496 CA GLU A 36 2.156 -11.038 -2.160 1.00 0.00 C ATOM 497 C GLU A 36 1.925 -9.567 -2.487 1.00 0.00 C ATOM 498 O GLU A 36 2.619 -8.990 -3.323 1.00 0.00 O ATOM 499 CB GLU A 36 3.531 -11.218 -1.513 1.00 0.00 C ATOM 500 CG GLU A 36 3.770 -12.617 -0.969 1.00 0.00 C ATOM 501 CD GLU A 36 4.439 -13.528 -1.979 1.00 0.00 C ATOM 502 OE1 GLU A 36 5.670 -13.411 -2.159 1.00 0.00 O ATOM 503 OE2 GLU A 36 3.734 -14.358 -2.589 1.00 0.00 O ATOM 0 H GLU A 36 2.792 -11.709 -4.042 1.00 0.00 H new ATOM 0 HA GLU A 36 1.386 -11.361 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.302 -10.987 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.638 -10.499 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.390 -12.554 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.818 -13.053 -0.667 1.00 0.00 H new ATOM 510 N TRP A 37 0.945 -8.964 -1.821 1.00 0.00 N ATOM 511 CA TRP A 37 0.623 -7.559 -2.041 1.00 0.00 C ATOM 512 C TRP A 37 1.161 -6.695 -0.906 1.00 0.00 C ATOM 513 O TRP A 37 1.607 -7.208 0.121 1.00 0.00 O ATOM 514 CB TRP A 37 -0.891 -7.374 -2.165 1.00 0.00 C ATOM 515 CG TRP A 37 -1.500 -8.182 -3.270 1.00 0.00 C ATOM 516 CD1 TRP A 37 -1.451 -9.538 -3.417 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.251 -7.684 -4.383 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.124 -9.914 -4.553 1.00 0.00 N ATOM 519 CE2 TRP A 37 -2.625 -8.794 -5.164 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.644 -6.408 -4.796 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.373 -8.666 -6.332 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.386 -6.281 -5.955 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.744 -7.404 -6.711 1.00 0.00 C ATOM 0 H TRP A 37 0.360 -9.427 -1.125 1.00 0.00 H new ATOM 0 HA TRP A 37 1.097 -7.244 -2.970 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.362 -7.649 -1.221 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.108 -6.319 -2.334 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.955 -10.216 -2.739 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.233 -10.871 -4.888 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.373 -5.536 -4.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.650 -9.531 -6.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.695 -5.299 -6.283 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.325 -7.272 -7.612 1.00 0.00 H new ATOM 534 N CYS A 38 1.117 -5.381 -1.097 1.00 0.00 N ATOM 535 CA CYS A 38 1.601 -4.445 -0.089 1.00 0.00 C ATOM 536 C CYS A 38 0.709 -3.209 -0.019 1.00 0.00 C ATOM 537 O CYS A 38 0.437 -2.570 -1.036 1.00 0.00 O ATOM 538 CB CYS A 38 3.041 -4.032 -0.395 1.00 0.00 C ATOM 539 SG CYS A 38 4.291 -5.041 0.436 1.00 0.00 S ATOM 0 H CYS A 38 0.751 -4.940 -1.941 1.00 0.00 H new ATOM 0 HA CYS A 38 1.572 -4.946 0.878 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.202 -4.087 -1.472 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.178 -2.990 -0.105 1.00 0.00 H new ATOM 0 HG CYS A 38 3.813 -6.230 0.655 1.00 0.00 H new ATOM 545 N GLY A 39 0.256 -2.879 1.186 1.00 0.00 N ATOM 546 CA GLY A 39 -0.599 -1.720 1.365 1.00 0.00 C ATOM 547 C GLY A 39 0.189 -0.454 1.637 1.00 0.00 C ATOM 548 O GLY A 39 0.947 -0.383 2.604 1.00 0.00 O ATOM 0 H GLY A 39 0.466 -3.393 2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.208 -1.580 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.284 -1.902 2.193 1.00 0.00 H new ATOM 552 N VAL A 40 0.009 0.547 0.782 1.00 0.00 N ATOM 553 CA VAL A 40 0.710 1.816 0.934 1.00 0.00 C ATOM 554 C VAL A 40 -0.213 2.891 1.498 1.00 0.00 C ATOM 555 O VAL A 40 -1.394 2.950 1.156 1.00 0.00 O ATOM 556 CB VAL A 40 1.287 2.304 -0.407 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.179 3.518 -0.196 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.051 1.186 -1.099 1.00 0.00 C ATOM 0 H VAL A 40 -0.616 0.504 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 40 1.529 1.642 1.632 1.00 0.00 H new ATOM 0 HB VAL A 40 0.458 2.599 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.577 3.848 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.597 4.324 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.003 3.253 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.451 1.550 -2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.871 0.856 -0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.379 0.349 -1.288 1.00 0.00 H new ATOM 568 N GLU A 41 0.334 3.738 2.364 1.00 0.00 N ATOM 569 CA GLU A 41 -0.440 4.813 2.975 1.00 0.00 C ATOM 570 C GLU A 41 -0.009 6.170 2.431 1.00 0.00 C ATOM 571 O GLU A 41 1.155 6.556 2.551 1.00 0.00 O ATOM 572 CB GLU A 41 -0.279 4.784 4.496 1.00 0.00 C ATOM 573 CG GLU A 41 -1.143 5.804 5.219 1.00 0.00 C ATOM 574 CD GLU A 41 -0.379 7.061 5.584 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.494 7.476 4.793 1.00 0.00 O ATOM 576 OE2 GLU A 41 -0.654 7.632 6.660 1.00 0.00 O ATOM 0 H GLU A 41 1.310 3.701 2.658 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.490 4.659 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.527 3.787 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.767 4.964 4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.991 6.069 4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.549 5.354 6.125 1.00 0.00 H new ATOM 583 N LEU A 42 -0.952 6.890 1.832 1.00 0.00 N ATOM 584 CA LEU A 42 -0.667 8.205 1.269 1.00 0.00 C ATOM 585 C LEU A 42 -1.010 9.309 2.263 1.00 0.00 C ATOM 586 O LEU A 42 -2.043 9.258 2.932 1.00 0.00 O ATOM 587 CB LEU A 42 -1.454 8.407 -0.027 1.00 0.00 C ATOM 588 CG LEU A 42 -1.159 7.389 -1.130 1.00 0.00 C ATOM 589 CD1 LEU A 42 -2.044 7.641 -2.340 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.311 7.441 -1.521 1.00 0.00 C ATOM 0 H LEU A 42 -1.919 6.585 1.724 1.00 0.00 H new ATOM 0 HA LEU A 42 0.400 8.257 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.519 8.372 0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.244 9.406 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.379 6.392 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.820 6.907 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.091 7.554 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.857 8.643 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.505 6.711 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.556 8.439 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.927 7.211 -0.652 1.00 0.00 H new ATOM 602 N ASP A 43 -0.137 10.308 2.355 1.00 0.00 N ATOM 603 CA ASP A 43 -0.347 11.426 3.267 1.00 0.00 C ATOM 604 C ASP A 43 -1.568 12.243 2.857 1.00 0.00 C ATOM 605 O ASP A 43 -2.229 12.854 3.695 1.00 0.00 O ATOM 606 CB ASP A 43 0.893 12.321 3.302 1.00 0.00 C ATOM 607 CG ASP A 43 1.858 11.929 4.404 1.00 0.00 C ATOM 608 OD1 ASP A 43 1.411 11.785 5.561 1.00 0.00 O ATOM 609 OD2 ASP A 43 3.061 11.765 4.110 1.00 0.00 O ATOM 0 H ASP A 43 0.722 10.365 1.809 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.523 11.021 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.403 12.268 2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.586 13.357 3.443 1.00 0.00 H new ATOM 614 N GLU A 44 -1.861 12.250 1.560 1.00 0.00 N ATOM 615 CA GLU A 44 -3.004 12.992 1.039 1.00 0.00 C ATOM 616 C GLU A 44 -4.164 12.052 0.722 1.00 0.00 C ATOM 617 O GLU A 44 -3.958 10.869 0.448 1.00 0.00 O ATOM 618 CB GLU A 44 -2.604 13.770 -0.216 1.00 0.00 C ATOM 619 CG GLU A 44 -1.303 14.542 -0.065 1.00 0.00 C ATOM 620 CD GLU A 44 -1.186 15.685 -1.054 1.00 0.00 C ATOM 621 OE1 GLU A 44 -1.165 15.416 -2.273 1.00 0.00 O ATOM 622 OE2 GLU A 44 -1.116 16.850 -0.610 1.00 0.00 O ATOM 0 H GLU A 44 -1.323 11.751 0.851 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.329 13.695 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.509 13.074 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.403 14.467 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.234 14.935 0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.463 13.861 -0.201 1.00 0.00 H new ATOM 629 N PRO A 45 -5.406 12.567 0.754 1.00 0.00 N ATOM 630 CA PRO A 45 -6.601 11.767 0.469 1.00 0.00 C ATOM 631 C PRO A 45 -6.683 11.353 -0.997 1.00 0.00 C ATOM 632 O PRO A 45 -7.455 11.920 -1.771 1.00 0.00 O ATOM 633 CB PRO A 45 -7.754 12.706 0.826 1.00 0.00 C ATOM 634 CG PRO A 45 -7.188 14.076 0.682 1.00 0.00 C ATOM 635 CD PRO A 45 -5.740 13.969 1.071 1.00 0.00 C ATOM 0 HA PRO A 45 -6.609 10.832 1.030 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.605 12.558 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.108 12.529 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.291 14.435 -0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.713 14.784 1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.120 14.667 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.590 14.189 2.128 1.00 0.00 H new ATOM 643 N LEU A 46 -5.880 10.362 -1.372 1.00 0.00 N ATOM 644 CA LEU A 46 -5.862 9.872 -2.745 1.00 0.00 C ATOM 645 C LEU A 46 -5.853 8.347 -2.779 1.00 0.00 C ATOM 646 O LEU A 46 -5.293 7.739 -3.691 1.00 0.00 O ATOM 647 CB LEU A 46 -4.639 10.416 -3.486 1.00 0.00 C ATOM 648 CG LEU A 46 -4.562 11.942 -3.578 1.00 0.00 C ATOM 649 CD1 LEU A 46 -3.204 12.377 -4.105 1.00 0.00 C ATOM 650 CD2 LEU A 46 -5.677 12.478 -4.463 1.00 0.00 C ATOM 0 H LEU A 46 -5.234 9.883 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.767 10.223 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.740 10.052 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.633 10.006 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.689 12.355 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.168 13.465 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.422 12.024 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.047 11.955 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.608 13.564 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.581 12.057 -5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.642 12.197 -4.042 1.00 0.00 H new ATOM 662 N GLY A 47 -6.477 7.735 -1.777 1.00 0.00 N ATOM 663 CA GLY A 47 -6.528 6.287 -1.711 1.00 0.00 C ATOM 664 C GLY A 47 -7.834 5.728 -2.240 1.00 0.00 C ATOM 665 O GLY A 47 -8.685 6.473 -2.726 1.00 0.00 O ATOM 0 H GLY A 47 -6.948 8.216 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.700 5.871 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.392 5.968 -0.677 1.00 0.00 H new ATOM 669 N LYS A 48 -7.994 4.411 -2.146 1.00 0.00 N ATOM 670 CA LYS A 48 -9.205 3.753 -2.621 1.00 0.00 C ATOM 671 C LYS A 48 -10.077 3.311 -1.450 1.00 0.00 C ATOM 672 O LYS A 48 -11.299 3.451 -1.485 1.00 0.00 O ATOM 673 CB LYS A 48 -8.849 2.545 -3.490 1.00 0.00 C ATOM 674 CG LYS A 48 -7.731 2.819 -4.484 1.00 0.00 C ATOM 675 CD LYS A 48 -7.995 2.145 -5.822 1.00 0.00 C ATOM 676 CE LYS A 48 -8.412 3.151 -6.882 1.00 0.00 C ATOM 677 NZ LYS A 48 -9.430 4.110 -6.370 1.00 0.00 N ATOM 0 H LYS A 48 -7.300 3.780 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.766 4.470 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.555 1.717 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.737 2.225 -4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.629 3.894 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.785 2.462 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.097 1.621 -6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.777 1.395 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.536 3.701 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.814 2.622 -7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.031 4.430 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.019 3.641 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.952 4.929 -5.944 1.00 0.00 H new ATOM 691 N ASN A 49 -9.440 2.775 -0.414 1.00 0.00 N ATOM 692 CA ASN A 49 -10.157 2.312 0.769 1.00 0.00 C ATOM 693 C ASN A 49 -9.372 2.622 2.039 1.00 0.00 C ATOM 694 O ASN A 49 -8.315 3.251 1.988 1.00 0.00 O ATOM 695 CB ASN A 49 -10.423 0.808 0.673 1.00 0.00 C ATOM 696 CG ASN A 49 -9.145 0.003 0.550 1.00 0.00 C ATOM 697 OD1 ASN A 49 -8.117 0.355 1.130 1.00 0.00 O ATOM 698 ND2 ASN A 49 -9.201 -1.084 -0.210 1.00 0.00 N ATOM 0 H ASN A 49 -8.429 2.650 -0.370 1.00 0.00 H new ATOM 0 HA ASN A 49 -11.109 2.841 0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.971 0.481 1.557 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.060 0.608 -0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.371 -1.665 -0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.074 -1.339 -0.672 1.00 0.00 H new ATOM 705 N ASP A 50 -9.896 2.177 3.176 1.00 0.00 N ATOM 706 CA ASP A 50 -9.243 2.406 4.459 1.00 0.00 C ATOM 707 C ASP A 50 -8.398 1.202 4.862 1.00 0.00 C ATOM 708 O ASP A 50 -8.401 0.787 6.022 1.00 0.00 O ATOM 709 CB ASP A 50 -10.285 2.700 5.540 1.00 0.00 C ATOM 710 CG ASP A 50 -11.402 1.676 5.559 1.00 0.00 C ATOM 711 OD1 ASP A 50 -12.054 1.488 4.511 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.628 1.064 6.625 1.00 0.00 O ATOM 0 H ASP A 50 -10.771 1.656 3.235 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.585 3.269 4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.798 2.720 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.707 3.691 5.374 1.00 0.00 H new ATOM 717 N GLY A 51 -7.675 0.643 3.897 1.00 0.00 N ATOM 718 CA GLY A 51 -6.836 -0.509 4.171 1.00 0.00 C ATOM 719 C GLY A 51 -7.637 -1.726 4.588 1.00 0.00 C ATOM 720 O GLY A 51 -7.132 -2.598 5.294 1.00 0.00 O ATOM 0 H GLY A 51 -7.655 0.967 2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.253 -0.749 3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.126 -0.258 4.959 1.00 0.00 H new ATOM 724 N ALA A 52 -8.891 -1.786 4.151 1.00 0.00 N ATOM 725 CA ALA A 52 -9.764 -2.905 4.484 1.00 0.00 C ATOM 726 C ALA A 52 -10.378 -3.514 3.228 1.00 0.00 C ATOM 727 O ALA A 52 -10.804 -2.797 2.322 1.00 0.00 O ATOM 728 CB ALA A 52 -10.855 -2.456 5.443 1.00 0.00 C ATOM 0 H ALA A 52 -9.325 -1.072 3.565 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.161 -3.672 4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.499 -3.302 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.401 -2.075 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.448 -1.669 4.977 1.00 0.00 H new ATOM 734 N VAL A 53 -10.423 -4.841 3.182 1.00 0.00 N ATOM 735 CA VAL A 53 -10.985 -5.548 2.038 1.00 0.00 C ATOM 736 C VAL A 53 -12.025 -6.572 2.481 1.00 0.00 C ATOM 737 O VAL A 53 -11.743 -7.441 3.306 1.00 0.00 O ATOM 738 CB VAL A 53 -9.890 -6.265 1.226 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.463 -6.823 -0.068 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.733 -5.320 0.940 1.00 0.00 C ATOM 0 H VAL A 53 -10.077 -5.449 3.924 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.462 -4.798 1.407 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.512 -7.098 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.675 -7.326 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.255 -7.535 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.870 -6.008 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.969 -5.844 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.094 -4.465 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.305 -4.973 1.881 1.00 0.00 H new ATOM 750 N ALA A 54 -13.229 -6.462 1.928 1.00 0.00 N ATOM 751 CA ALA A 54 -14.311 -7.379 2.265 1.00 0.00 C ATOM 752 C ALA A 54 -14.656 -7.303 3.749 1.00 0.00 C ATOM 753 O ALA A 54 -15.115 -8.281 4.340 1.00 0.00 O ATOM 754 CB ALA A 54 -13.936 -8.802 1.881 1.00 0.00 C ATOM 0 H ALA A 54 -13.479 -5.747 1.245 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.194 -7.082 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.753 -9.476 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.749 -8.852 0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.037 -9.100 2.421 1.00 0.00 H new ATOM 760 N GLY A 55 -14.433 -6.135 4.346 1.00 0.00 N ATOM 761 CA GLY A 55 -14.728 -5.955 5.755 1.00 0.00 C ATOM 762 C GLY A 55 -13.509 -6.159 6.634 1.00 0.00 C ATOM 763 O GLY A 55 -13.397 -5.554 7.701 1.00 0.00 O ATOM 0 H GLY A 55 -14.054 -5.312 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.124 -4.952 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.508 -6.656 6.052 1.00 0.00 H new ATOM 767 N THR A 56 -12.594 -7.014 6.188 1.00 0.00 N ATOM 768 CA THR A 56 -11.379 -7.296 6.943 1.00 0.00 C ATOM 769 C THR A 56 -10.369 -6.165 6.792 1.00 0.00 C ATOM 770 O THR A 56 -9.929 -5.856 5.684 1.00 0.00 O ATOM 771 CB THR A 56 -10.760 -8.615 6.476 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.750 -9.623 6.367 1.00 0.00 O ATOM 773 CG2 THR A 56 -9.681 -9.131 7.404 1.00 0.00 C ATOM 0 H THR A 56 -12.671 -7.523 5.308 1.00 0.00 H new ATOM 0 HA THR A 56 -11.646 -7.380 7.996 1.00 0.00 H new ATOM 0 HB THR A 56 -10.311 -8.396 5.507 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.335 -10.458 6.066 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.284 -10.069 7.015 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.878 -8.397 7.472 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.103 -9.299 8.395 1.00 0.00 H new ATOM 781 N ARG A 57 -10.005 -5.547 7.911 1.00 0.00 N ATOM 782 CA ARG A 57 -9.046 -4.449 7.902 1.00 0.00 C ATOM 783 C ARG A 57 -7.707 -4.888 8.486 1.00 0.00 C ATOM 784 O ARG A 57 -7.620 -5.249 9.660 1.00 0.00 O ATOM 785 CB ARG A 57 -9.597 -3.258 8.690 1.00 0.00 C ATOM 786 CG ARG A 57 -8.908 -1.943 8.362 1.00 0.00 C ATOM 787 CD ARG A 57 -9.571 -0.771 9.070 1.00 0.00 C ATOM 788 NE ARG A 57 -11.027 -0.796 8.934 1.00 0.00 N ATOM 789 CZ ARG A 57 -11.843 -1.434 9.771 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.354 -2.115 10.801 1.00 0.00 N ATOM 791 NH2 ARG A 57 -13.154 -1.393 9.575 1.00 0.00 N ATOM 0 H ARG A 57 -10.360 -5.788 8.836 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.886 -4.148 6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.664 -3.161 8.487 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.492 -3.458 9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.859 -1.999 8.653 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.931 -1.778 7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.306 -0.790 10.127 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.186 0.163 8.662 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.443 -0.294 8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.346 -2.152 10.956 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.986 -2.601 11.437 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.535 -0.874 8.784 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.781 -1.881 10.215 1.00 0.00 H new ATOM 805 N TYR A 58 -6.668 -4.854 7.658 1.00 0.00 N ATOM 806 CA TYR A 58 -5.332 -5.249 8.091 1.00 0.00 C ATOM 807 C TYR A 58 -4.682 -4.149 8.925 1.00 0.00 C ATOM 808 O TYR A 58 -4.326 -4.364 10.083 1.00 0.00 O ATOM 809 CB TYR A 58 -4.457 -5.571 6.878 1.00 0.00 C ATOM 810 CG TYR A 58 -5.073 -6.580 5.935 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.994 -6.187 4.972 1.00 0.00 C ATOM 812 CD2 TYR A 58 -4.735 -7.926 6.011 1.00 0.00 C ATOM 813 CE1 TYR A 58 -6.559 -7.108 4.109 1.00 0.00 C ATOM 814 CE2 TYR A 58 -5.296 -8.851 5.151 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.207 -8.437 4.203 1.00 0.00 C ATOM 816 OH TYR A 58 -6.768 -9.355 3.346 1.00 0.00 O ATOM 0 H TYR A 58 -6.725 -4.557 6.684 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.426 -6.141 8.711 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.257 -4.650 6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.496 -5.951 7.225 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.273 -5.146 4.896 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.023 -8.254 6.754 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.273 -6.787 3.365 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.022 -9.893 5.221 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.413 -10.247 3.544 1.00 0.00 H new ATOM 826 N PHE A 59 -4.530 -2.972 8.327 1.00 0.00 N ATOM 827 CA PHE A 59 -3.923 -1.837 9.013 1.00 0.00 C ATOM 828 C PHE A 59 -4.925 -0.699 9.175 1.00 0.00 C ATOM 829 O PHE A 59 -5.504 -0.226 8.197 1.00 0.00 O ATOM 830 CB PHE A 59 -2.695 -1.347 8.244 1.00 0.00 C ATOM 831 CG PHE A 59 -2.993 -0.953 6.825 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.134 -1.917 5.840 1.00 0.00 C ATOM 833 CD2 PHE A 59 -3.132 0.381 6.478 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.408 -1.558 4.534 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.406 0.746 5.173 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.545 -0.225 4.201 1.00 0.00 C ATOM 0 H PHE A 59 -4.819 -2.779 7.368 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.614 -2.167 10.005 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.266 -0.493 8.767 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.939 -2.133 8.243 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.029 -2.961 6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.025 1.144 7.235 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.515 -2.319 3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.511 1.789 4.914 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.761 0.058 3.181 1.00 0.00 H new ATOM 846 N GLN A 60 -5.125 -0.265 10.414 1.00 0.00 N ATOM 847 CA GLN A 60 -6.059 0.817 10.704 1.00 0.00 C ATOM 848 C GLN A 60 -5.608 2.117 10.045 1.00 0.00 C ATOM 849 O GLN A 60 -4.450 2.518 10.167 1.00 0.00 O ATOM 850 CB GLN A 60 -6.189 1.016 12.215 1.00 0.00 C ATOM 851 CG GLN A 60 -7.174 2.109 12.602 1.00 0.00 C ATOM 852 CD GLN A 60 -8.563 1.865 12.044 1.00 0.00 C ATOM 853 OE1 GLN A 60 -9.174 0.829 12.300 1.00 0.00 O ATOM 854 NE2 GLN A 60 -9.068 2.823 11.276 1.00 0.00 N ATOM 0 H GLN A 60 -4.653 -0.646 11.234 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.032 0.542 10.296 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.503 0.077 12.671 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.209 1.259 12.627 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.229 2.175 13.689 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.805 3.070 12.242 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.526 3.667 11.090 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.998 2.716 10.872 1.00 0.00 H new ATOM 863 N CYS A 61 -6.530 2.771 9.348 1.00 0.00 N ATOM 864 CA CYS A 61 -6.230 4.027 8.671 1.00 0.00 C ATOM 865 C CYS A 61 -7.512 4.697 8.180 1.00 0.00 C ATOM 866 O CYS A 61 -8.394 4.036 7.632 1.00 0.00 O ATOM 867 CB CYS A 61 -5.280 3.782 7.495 1.00 0.00 C ATOM 868 SG CYS A 61 -3.798 4.817 7.517 1.00 0.00 S ATOM 0 H CYS A 61 -7.492 2.452 9.237 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.745 4.693 9.385 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.979 2.734 7.497 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.819 3.957 6.564 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.590 5.303 6.329 1.00 0.00 H new ATOM 874 N PRO A 62 -7.636 6.024 8.368 1.00 0.00 N ATOM 875 CA PRO A 62 -8.823 6.772 7.937 1.00 0.00 C ATOM 876 C PRO A 62 -9.138 6.556 6.459 1.00 0.00 C ATOM 877 O PRO A 62 -8.341 5.973 5.725 1.00 0.00 O ATOM 878 CB PRO A 62 -8.441 8.232 8.195 1.00 0.00 C ATOM 879 CG PRO A 62 -7.394 8.173 9.252 1.00 0.00 C ATOM 880 CD PRO A 62 -6.637 6.897 9.012 1.00 0.00 C ATOM 0 HA PRO A 62 -9.719 6.454 8.469 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.062 8.707 7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.302 8.814 8.524 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.732 9.037 9.194 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.842 8.180 10.246 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.771 7.058 8.370 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.268 6.467 9.943 1.00 0.00 H new ATOM 888 N PRO A 63 -10.312 7.027 6.003 1.00 0.00 N ATOM 889 CA PRO A 63 -10.732 6.882 4.605 1.00 0.00 C ATOM 890 C PRO A 63 -9.796 7.607 3.643 1.00 0.00 C ATOM 891 O PRO A 63 -9.353 8.723 3.914 1.00 0.00 O ATOM 892 CB PRO A 63 -12.127 7.520 4.571 1.00 0.00 C ATOM 893 CG PRO A 63 -12.571 7.567 5.995 1.00 0.00 C ATOM 894 CD PRO A 63 -11.322 7.729 6.809 1.00 0.00 C ATOM 0 HA PRO A 63 -10.722 5.839 4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.093 8.519 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.814 6.931 3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -13.257 8.397 6.163 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.101 6.655 6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -11.066 8.779 6.952 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.426 7.288 7.800 1.00 0.00 H new ATOM 902 N LYS A 64 -9.500 6.966 2.516 1.00 0.00 N ATOM 903 CA LYS A 64 -8.618 7.550 1.510 1.00 0.00 C ATOM 904 C LYS A 64 -7.206 7.733 2.061 1.00 0.00 C ATOM 905 O LYS A 64 -6.548 8.737 1.792 1.00 0.00 O ATOM 906 CB LYS A 64 -9.175 8.894 1.030 1.00 0.00 C ATOM 907 CG LYS A 64 -9.975 8.793 -0.259 1.00 0.00 C ATOM 908 CD LYS A 64 -11.471 8.862 0.003 1.00 0.00 C ATOM 909 CE LYS A 64 -12.062 7.480 0.226 1.00 0.00 C ATOM 910 NZ LYS A 64 -13.549 7.514 0.289 1.00 0.00 N ATOM 0 H LYS A 64 -9.858 6.042 2.276 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.569 6.864 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.809 9.315 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.348 9.589 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.685 9.600 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.736 7.857 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.660 9.485 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.968 9.339 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.748 6.817 -0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.669 7.063 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.912 6.552 0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.849 8.126 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.926 7.888 -0.605 1.00 0.00 H new ATOM 924 N PHE A 65 -6.745 6.752 2.830 1.00 0.00 N ATOM 925 CA PHE A 65 -5.409 6.804 3.416 1.00 0.00 C ATOM 926 C PHE A 65 -4.739 5.435 3.358 1.00 0.00 C ATOM 927 O PHE A 65 -3.947 5.083 4.233 1.00 0.00 O ATOM 928 CB PHE A 65 -5.480 7.288 4.864 1.00 0.00 C ATOM 929 CG PHE A 65 -5.550 8.782 4.997 1.00 0.00 C ATOM 930 CD1 PHE A 65 -4.409 9.557 4.866 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.757 9.413 5.252 1.00 0.00 C ATOM 932 CE1 PHE A 65 -4.470 10.932 4.988 1.00 0.00 C ATOM 933 CE2 PHE A 65 -6.825 10.787 5.375 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.680 11.549 5.243 1.00 0.00 C ATOM 0 H PHE A 65 -7.275 5.912 3.062 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.812 7.508 2.836 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.355 6.848 5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.605 6.924 5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.461 9.081 4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.656 8.823 5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.573 11.524 4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.773 11.265 5.574 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.730 12.624 5.339 1.00 0.00 H new ATOM 944 N GLY A 66 -5.060 4.667 2.322 1.00 0.00 N ATOM 945 CA GLY A 66 -4.480 3.347 2.169 1.00 0.00 C ATOM 946 C GLY A 66 -4.817 2.717 0.832 1.00 0.00 C ATOM 947 O GLY A 66 -5.962 2.332 0.590 1.00 0.00 O ATOM 0 H GLY A 66 -5.712 4.936 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.397 3.415 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.837 2.701 2.972 1.00 0.00 H new ATOM 951 N LEU A 67 -3.819 2.613 -0.040 1.00 0.00 N ATOM 952 CA LEU A 67 -4.016 2.028 -1.361 1.00 0.00 C ATOM 953 C LEU A 67 -3.247 0.717 -1.496 1.00 0.00 C ATOM 954 O LEU A 67 -2.037 0.669 -1.270 1.00 0.00 O ATOM 955 CB LEU A 67 -3.569 3.008 -2.448 1.00 0.00 C ATOM 956 CG LEU A 67 -4.084 2.694 -3.854 1.00 0.00 C ATOM 957 CD1 LEU A 67 -4.629 3.949 -4.520 1.00 0.00 C ATOM 958 CD2 LEU A 67 -2.979 2.078 -4.701 1.00 0.00 C ATOM 0 H LEU A 67 -2.866 2.926 0.145 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.079 1.820 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.900 4.009 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.479 3.028 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.896 1.973 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.990 3.703 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.450 4.349 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.838 4.695 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.363 1.861 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.146 2.777 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.636 1.154 -4.235 1.00 0.00 H new ATOM 970 N PHE A 68 -3.957 -0.344 -1.865 1.00 0.00 N ATOM 971 CA PHE A 68 -3.342 -1.656 -2.031 1.00 0.00 C ATOM 972 C PHE A 68 -2.742 -1.802 -3.425 1.00 0.00 C ATOM 973 O PHE A 68 -3.333 -1.372 -4.415 1.00 0.00 O ATOM 974 CB PHE A 68 -4.373 -2.760 -1.789 1.00 0.00 C ATOM 975 CG PHE A 68 -4.468 -3.191 -0.354 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.525 -4.048 0.190 1.00 0.00 C ATOM 977 CD2 PHE A 68 -5.500 -2.737 0.453 1.00 0.00 C ATOM 978 CE1 PHE A 68 -3.610 -4.447 1.510 1.00 0.00 C ATOM 979 CE2 PHE A 68 -5.590 -3.133 1.774 1.00 0.00 C ATOM 980 CZ PHE A 68 -4.644 -3.989 2.303 1.00 0.00 C ATOM 0 H PHE A 68 -4.959 -0.321 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.541 -1.750 -1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.351 -2.411 -2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.118 -3.624 -2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.714 -4.408 -0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.242 -2.066 0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.869 -5.116 1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.399 -2.773 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.713 -4.300 3.335 1.00 0.00 H new ATOM 990 N ALA A 69 -1.565 -2.414 -3.496 1.00 0.00 N ATOM 991 CA ALA A 69 -0.886 -2.619 -4.769 1.00 0.00 C ATOM 992 C ALA A 69 0.053 -3.821 -4.704 1.00 0.00 C ATOM 993 O ALA A 69 0.685 -4.068 -3.676 1.00 0.00 O ATOM 994 CB ALA A 69 -0.117 -1.368 -5.164 1.00 0.00 C ATOM 0 H ALA A 69 -1.062 -2.777 -2.686 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.642 -2.822 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.385 -1.535 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.809 -0.531 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.624 -1.140 -4.398 1.00 0.00 H new ATOM 1000 N PRO A 70 0.161 -4.589 -5.802 1.00 0.00 N ATOM 1001 CA PRO A 70 1.031 -5.769 -5.857 1.00 0.00 C ATOM 1002 C PRO A 70 2.471 -5.441 -5.477 1.00 0.00 C ATOM 1003 O PRO A 70 2.921 -4.307 -5.635 1.00 0.00 O ATOM 1004 CB PRO A 70 0.952 -6.208 -7.322 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.341 -5.658 -7.818 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.555 -4.370 -7.073 1.00 0.00 C ATOM 0 HA PRO A 70 0.716 -6.539 -5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.793 -5.820 -7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.979 -7.294 -7.411 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.305 -5.485 -8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.158 -6.356 -7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.152 -3.518 -7.620 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.614 -4.172 -6.909 1.00 0.00 H new ATOM 1014 N ILE A 71 3.188 -6.441 -4.975 1.00 0.00 N ATOM 1015 CA ILE A 71 4.577 -6.258 -4.572 1.00 0.00 C ATOM 1016 C ILE A 71 5.435 -5.797 -5.747 1.00 0.00 C ATOM 1017 O ILE A 71 6.226 -4.861 -5.621 1.00 0.00 O ATOM 1018 CB ILE A 71 5.169 -7.556 -3.985 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.594 -7.315 -3.482 1.00 0.00 C ATOM 1020 CG2 ILE A 71 5.149 -8.669 -5.022 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.961 -8.159 -2.280 1.00 0.00 C ATOM 0 H ILE A 71 2.830 -7.386 -4.838 1.00 0.00 H new ATOM 0 HA ILE A 71 4.585 -5.488 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 71 4.553 -7.864 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.296 -7.523 -4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.707 -6.262 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.570 -9.577 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.122 -8.858 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.741 -8.371 -5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.984 -7.936 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.282 -7.935 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.881 -9.215 -2.539 1.00 0.00 H new ATOM 1033 N HIS A 72 5.273 -6.456 -6.889 1.00 0.00 N ATOM 1034 CA HIS A 72 6.034 -6.110 -8.084 1.00 0.00 C ATOM 1035 C HIS A 72 5.701 -4.697 -8.560 1.00 0.00 C ATOM 1036 O HIS A 72 6.463 -4.091 -9.312 1.00 0.00 O ATOM 1037 CB HIS A 72 5.760 -7.117 -9.204 1.00 0.00 C ATOM 1038 CG HIS A 72 4.307 -7.430 -9.390 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.633 -8.396 -8.676 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.397 -6.883 -10.235 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.362 -8.407 -9.101 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.167 -7.507 -10.046 1.00 0.00 N ATOM 0 H HIS A 72 4.622 -7.232 -7.013 1.00 0.00 H new ATOM 0 HA HIS A 72 7.093 -6.144 -7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.161 -6.725 -10.139 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.297 -8.041 -8.989 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.595 -6.090 -10.941 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.597 -9.067 -8.720 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.295 -7.309 -10.537 1.00 0.00 H new ATOM 1050 N LYS A 73 4.559 -4.176 -8.116 1.00 0.00 N ATOM 1051 CA LYS A 73 4.135 -2.835 -8.499 1.00 0.00 C ATOM 1052 C LYS A 73 4.520 -1.812 -7.433 1.00 0.00 C ATOM 1053 O LYS A 73 3.902 -0.751 -7.328 1.00 0.00 O ATOM 1054 CB LYS A 73 2.622 -2.803 -8.728 1.00 0.00 C ATOM 1055 CG LYS A 73 2.162 -3.689 -9.874 1.00 0.00 C ATOM 1056 CD LYS A 73 1.950 -2.888 -11.148 1.00 0.00 C ATOM 1057 CE LYS A 73 1.757 -3.796 -12.352 1.00 0.00 C ATOM 1058 NZ LYS A 73 0.917 -3.156 -13.403 1.00 0.00 N ATOM 0 H LYS A 73 3.914 -4.662 -7.493 1.00 0.00 H new ATOM 0 HA LYS A 73 4.644 -2.573 -9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.118 -3.115 -7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.315 -1.776 -8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.903 -4.469 -10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.233 -4.189 -9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.078 -2.244 -11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.807 -2.236 -11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.729 -4.054 -12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.291 -4.728 -12.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.810 -3.808 -14.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.020 -2.933 -13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.374 -2.280 -13.727 1.00 0.00 H new ATOM 1072 N VAL A 74 5.541 -2.134 -6.645 1.00 0.00 N ATOM 1073 CA VAL A 74 6.005 -1.239 -5.592 1.00 0.00 C ATOM 1074 C VAL A 74 7.445 -0.803 -5.835 1.00 0.00 C ATOM 1075 O VAL A 74 8.296 -1.614 -6.202 1.00 0.00 O ATOM 1076 CB VAL A 74 5.909 -1.905 -4.206 1.00 0.00 C ATOM 1077 CG1 VAL A 74 6.214 -0.899 -3.106 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.534 -2.525 -4.006 1.00 0.00 C ATOM 0 H VAL A 74 6.062 -3.008 -6.716 1.00 0.00 H new ATOM 0 HA VAL A 74 5.355 -0.364 -5.613 1.00 0.00 H new ATOM 0 HB VAL A 74 6.652 -2.701 -4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.141 -1.388 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.222 -0.508 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.497 -0.079 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.485 -2.991 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.771 -1.750 -4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.360 -3.279 -4.773 1.00 0.00 H new ATOM 1088 N ILE A 75 7.712 0.482 -5.629 1.00 0.00 N ATOM 1089 CA ILE A 75 9.051 1.026 -5.827 1.00 0.00 C ATOM 1090 C ILE A 75 9.538 1.755 -4.579 1.00 0.00 C ATOM 1091 O ILE A 75 8.987 2.786 -4.195 1.00 0.00 O ATOM 1092 CB ILE A 75 9.092 1.997 -7.024 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.448 1.356 -8.253 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.526 2.408 -7.324 1.00 0.00 C ATOM 1095 CD1 ILE A 75 7.973 2.360 -9.281 1.00 0.00 C ATOM 0 H ILE A 75 7.019 1.166 -5.325 1.00 0.00 H new ATOM 0 HA ILE A 75 9.709 0.181 -6.031 1.00 0.00 H new ATOM 0 HB ILE A 75 8.524 2.891 -6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.167 0.683 -8.720 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.602 0.747 -7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.538 3.093 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.953 2.902 -6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.115 1.523 -7.564 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.527 1.833 -10.125 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.230 3.018 -8.831 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.819 2.952 -9.629 1.00 0.00 H new ATOM 1107 N ARG A 76 10.574 1.210 -3.950 1.00 0.00 N ATOM 1108 CA ARG A 76 11.137 1.807 -2.745 1.00 0.00 C ATOM 1109 C ARG A 76 11.805 3.143 -3.060 1.00 0.00 C ATOM 1110 O ARG A 76 12.284 3.361 -4.173 1.00 0.00 O ATOM 1111 CB ARG A 76 12.147 0.854 -2.102 1.00 0.00 C ATOM 1112 CG ARG A 76 11.876 0.580 -0.633 1.00 0.00 C ATOM 1113 CD ARG A 76 12.389 -0.789 -0.217 1.00 0.00 C ATOM 1114 NE ARG A 76 13.839 -0.898 -0.361 1.00 0.00 N ATOM 1115 CZ ARG A 76 14.711 -0.397 0.511 1.00 0.00 C ATOM 1116 NH1 ARG A 76 14.285 0.247 1.590 1.00 0.00 N ATOM 1117 NH2 ARG A 76 16.012 -0.542 0.304 1.00 0.00 N ATOM 0 H ARG A 76 11.041 0.356 -4.255 1.00 0.00 H new ATOM 0 HA ARG A 76 10.322 1.987 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.140 -0.090 -2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.147 1.274 -2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.353 1.349 -0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.805 0.642 -0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.112 -0.980 0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.906 -1.556 -0.822 1.00 0.00 H new ATOM 0 HE ARG A 76 14.205 -1.387 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.285 0.360 1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.958 0.629 2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.345 -1.037 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.681 -0.158 0.972 1.00 0.00 H new ATOM 1131 N ILE A 77 11.831 4.033 -2.073 1.00 0.00 N ATOM 1132 CA ILE A 77 12.440 5.347 -2.246 1.00 0.00 C ATOM 1133 C ILE A 77 13.292 5.720 -1.038 1.00 0.00 C ATOM 1134 O ILE A 77 13.406 6.894 -0.683 1.00 0.00 O ATOM 1135 CB ILE A 77 11.373 6.438 -2.465 1.00 0.00 C ATOM 1136 CG1 ILE A 77 10.350 5.981 -3.507 1.00 0.00 C ATOM 1137 CG2 ILE A 77 12.030 7.741 -2.895 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.237 6.979 -3.738 1.00 0.00 C ATOM 0 H ILE A 77 11.438 3.869 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 77 13.074 5.288 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 77 10.851 6.610 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.863 5.796 -4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.917 5.033 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.264 8.502 -3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.723 8.072 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.574 7.584 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.549 6.590 -4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.699 7.147 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.660 7.921 -4.087 1.00 0.00 H new