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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 ASN : amide:sc= -2.59 K(o=-2.6,f=-1.6) USER MOD Single : A 19 THR OG1 : rot -31:sc= 0.568 USER MOD Single : A 20 LYS NZ :NH3+ -134:sc= 0.164 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 47:sc= 0.0623 USER MOD Single : A 26 TYR OH : rot 102:sc= 0.308 USER MOD Single : A 30 THR OG1 : rot -154:sc= 1.31 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 61:sc= -1.86 USER MOD Single : A 56 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.743 K(o=-0.74,f=-0.2) USER MOD Single : A 61 CYS SG : rot 134:sc= 0.137 USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= -1.34 (180deg=-2.19!) USER MOD Single : A 72 HIS : no HD1:sc= -3.81! K(o=-3.8!,f=-1.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 8 9.392 -5.849 0.995 1.00 0.00 N ATOM 69 CA LEU A 8 9.665 -4.530 1.554 1.00 0.00 C ATOM 70 C LEU A 8 9.667 -4.576 3.079 1.00 0.00 C ATOM 71 O LEU A 8 9.314 -5.590 3.680 1.00 0.00 O ATOM 72 CB LEU A 8 8.626 -3.519 1.065 1.00 0.00 C ATOM 73 CG LEU A 8 8.252 -3.640 -0.413 1.00 0.00 C ATOM 74 CD1 LEU A 8 6.963 -2.886 -0.701 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.381 -3.125 -1.292 1.00 0.00 C ATOM 0 HA LEU A 8 10.653 -4.217 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.722 -3.632 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.006 -2.514 1.247 1.00 0.00 H new ATOM 0 HG LEU A 8 8.091 -4.693 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.713 -2.983 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.156 -3.301 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.095 -1.832 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.098 -3.219 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.574 -2.077 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.282 -3.709 -1.106 1.00 0.00 H new ATOM 87 N ARG A 9 10.067 -3.471 3.699 1.00 0.00 N ATOM 88 CA ARG A 9 10.114 -3.384 5.154 1.00 0.00 C ATOM 89 C ARG A 9 8.862 -2.704 5.699 1.00 0.00 C ATOM 90 O ARG A 9 8.328 -1.781 5.085 1.00 0.00 O ATOM 91 CB ARG A 9 11.363 -2.619 5.600 1.00 0.00 C ATOM 92 CG ARG A 9 12.504 -3.523 6.040 1.00 0.00 C ATOM 93 CD ARG A 9 13.208 -2.975 7.271 1.00 0.00 C ATOM 94 NE ARG A 9 14.463 -3.672 7.540 1.00 0.00 N ATOM 95 CZ ARG A 9 14.534 -4.915 8.009 1.00 0.00 C ATOM 96 NH1 ARG A 9 13.426 -5.602 8.261 1.00 0.00 N ATOM 97 NH2 ARG A 9 15.717 -5.475 8.227 1.00 0.00 N ATOM 0 H ARG A 9 10.363 -2.623 3.216 1.00 0.00 H new ATOM 0 HA ARG A 9 10.157 -4.397 5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.705 -1.989 4.779 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.098 -1.955 6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.118 -4.520 6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.221 -3.627 5.226 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.406 -1.912 7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.550 -3.066 8.135 1.00 0.00 H new ATOM 0 HE ARG A 9 15.336 -3.177 7.358 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.514 -5.177 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.487 -6.555 8.620 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.572 -4.953 8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.772 -6.428 8.587 1.00 0.00 H new ATOM 111 N LEU A 10 8.401 -3.166 6.856 1.00 0.00 N ATOM 112 CA LEU A 10 7.212 -2.602 7.485 1.00 0.00 C ATOM 113 C LEU A 10 7.443 -1.147 7.878 1.00 0.00 C ATOM 114 O LEU A 10 8.133 -0.859 8.856 1.00 0.00 O ATOM 115 CB LEU A 10 6.826 -3.419 8.719 1.00 0.00 C ATOM 116 CG LEU A 10 5.962 -4.650 8.435 1.00 0.00 C ATOM 117 CD1 LEU A 10 5.906 -5.554 9.657 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.562 -4.232 8.014 1.00 0.00 C ATOM 0 H LEU A 10 8.832 -3.929 7.377 1.00 0.00 H new ATOM 0 HA LEU A 10 6.397 -2.640 6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.737 -3.742 9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.291 -2.771 9.413 1.00 0.00 H new ATOM 0 HG LEU A 10 6.414 -5.208 7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.288 -6.424 9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.914 -5.880 9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.477 -5.006 10.496 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.961 -5.120 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.100 -3.652 8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.620 -3.624 7.111 1.00 0.00 H new ATOM 130 N GLY A 11 6.862 -0.232 7.107 1.00 0.00 N ATOM 131 CA GLY A 11 7.017 1.183 7.391 1.00 0.00 C ATOM 132 C GLY A 11 8.115 1.823 6.565 1.00 0.00 C ATOM 133 O GLY A 11 8.984 2.511 7.102 1.00 0.00 O ATOM 0 H GLY A 11 6.287 -0.445 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.075 1.695 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.239 1.316 8.450 1.00 0.00 H new ATOM 137 N ASP A 12 8.077 1.596 5.256 1.00 0.00 N ATOM 138 CA ASP A 12 9.077 2.155 4.354 1.00 0.00 C ATOM 139 C ASP A 12 8.418 3.014 3.277 1.00 0.00 C ATOM 140 O ASP A 12 7.303 2.731 2.840 1.00 0.00 O ATOM 141 CB ASP A 12 9.891 1.034 3.704 1.00 0.00 C ATOM 142 CG ASP A 12 11.385 1.234 3.869 1.00 0.00 C ATOM 143 OD1 ASP A 12 11.822 1.538 4.998 1.00 0.00 O ATOM 144 OD2 ASP A 12 12.117 1.085 2.869 1.00 0.00 O ATOM 0 H ASP A 12 7.365 1.029 4.796 1.00 0.00 H new ATOM 0 HA ASP A 12 9.746 2.787 4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.604 0.079 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.649 0.982 2.642 1.00 0.00 H new ATOM 149 N ARG A 13 9.116 4.064 2.856 1.00 0.00 N ATOM 150 CA ARG A 13 8.600 4.963 1.832 1.00 0.00 C ATOM 151 C ARG A 13 8.644 4.305 0.457 1.00 0.00 C ATOM 152 O ARG A 13 9.719 4.004 -0.065 1.00 0.00 O ATOM 153 CB ARG A 13 9.404 6.264 1.813 1.00 0.00 C ATOM 154 CG ARG A 13 8.562 7.497 1.526 1.00 0.00 C ATOM 155 CD ARG A 13 9.367 8.774 1.698 1.00 0.00 C ATOM 156 NE ARG A 13 8.585 9.963 1.365 1.00 0.00 N ATOM 157 CZ ARG A 13 9.116 11.168 1.166 1.00 0.00 C ATOM 158 NH1 ARG A 13 10.427 11.347 1.265 1.00 0.00 N ATOM 159 NH2 ARG A 13 8.333 12.195 0.868 1.00 0.00 N ATOM 0 H ARG A 13 10.040 4.312 3.209 1.00 0.00 H new ATOM 0 HA ARG A 13 7.561 5.189 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.899 6.389 2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.187 6.186 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.174 7.445 0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.702 7.515 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.716 8.846 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.252 8.733 1.063 1.00 0.00 H new ATOM 0 HE ARG A 13 7.573 9.864 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.033 10.560 1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.828 12.272 1.112 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.325 12.062 0.791 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.739 13.118 0.715 1.00 0.00 H new ATOM 173 N VAL A 14 7.471 4.082 -0.126 1.00 0.00 N ATOM 174 CA VAL A 14 7.375 3.458 -1.441 1.00 0.00 C ATOM 175 C VAL A 14 6.577 4.330 -2.404 1.00 0.00 C ATOM 176 O VAL A 14 5.999 5.342 -2.009 1.00 0.00 O ATOM 177 CB VAL A 14 6.716 2.069 -1.357 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.629 1.085 -0.643 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.368 2.159 -0.659 1.00 0.00 C ATOM 0 H VAL A 14 6.573 4.324 0.292 1.00 0.00 H new ATOM 0 HA VAL A 14 8.393 3.346 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 14 6.551 1.705 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.145 0.109 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.568 0.997 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.829 1.442 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.917 1.168 -0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.506 2.546 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.713 2.828 -1.218 1.00 0.00 H new ATOM 189 N LEU A 15 6.550 3.929 -3.671 1.00 0.00 N ATOM 190 CA LEU A 15 5.823 4.673 -4.693 1.00 0.00 C ATOM 191 C LEU A 15 4.840 3.768 -5.430 1.00 0.00 C ATOM 192 O LEU A 15 5.243 2.855 -6.150 1.00 0.00 O ATOM 193 CB LEU A 15 6.799 5.301 -5.689 1.00 0.00 C ATOM 194 CG LEU A 15 6.200 6.379 -6.594 1.00 0.00 C ATOM 195 CD1 LEU A 15 5.526 7.459 -5.762 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.273 6.982 -7.487 1.00 0.00 C ATOM 0 H LEU A 15 7.023 3.093 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 15 5.260 5.464 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.630 5.736 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.212 4.511 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 15 5.446 5.915 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.106 8.218 -6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.729 7.015 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.260 7.920 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.829 7.747 -8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.051 7.431 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.710 6.201 -8.109 1.00 0.00 H new ATOM 208 N VAL A 16 3.550 4.027 -5.243 1.00 0.00 N ATOM 209 CA VAL A 16 2.511 3.237 -5.889 1.00 0.00 C ATOM 210 C VAL A 16 2.051 3.890 -7.188 1.00 0.00 C ATOM 211 O VAL A 16 1.363 4.910 -7.172 1.00 0.00 O ATOM 212 CB VAL A 16 1.293 3.046 -4.965 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.313 2.054 -5.571 1.00 0.00 C ATOM 214 CG2 VAL A 16 1.738 2.593 -3.583 1.00 0.00 C ATOM 0 H VAL A 16 3.200 4.779 -4.649 1.00 0.00 H new ATOM 0 HA VAL A 16 2.947 2.263 -6.109 1.00 0.00 H new ATOM 0 HB VAL A 16 0.784 4.004 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.541 1.932 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.031 2.426 -6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.807 1.092 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.865 2.463 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.272 1.646 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.397 3.345 -3.148 1.00 0.00 H new ATOM 224 N GLY A 17 2.437 3.294 -8.312 1.00 0.00 N ATOM 225 CA GLY A 17 2.055 3.832 -9.605 1.00 0.00 C ATOM 226 C GLY A 17 3.140 4.695 -10.218 1.00 0.00 C ATOM 227 O GLY A 17 3.274 4.762 -11.440 1.00 0.00 O ATOM 0 H GLY A 17 3.007 2.449 -8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.823 3.010 -10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.145 4.422 -9.495 1.00 0.00 H new ATOM 231 N GLY A 18 3.919 5.357 -9.368 1.00 0.00 N ATOM 232 CA GLY A 18 4.988 6.210 -9.851 1.00 0.00 C ATOM 233 C GLY A 18 4.680 7.684 -9.675 1.00 0.00 C ATOM 234 O GLY A 18 5.108 8.515 -10.476 1.00 0.00 O ATOM 0 H GLY A 18 3.828 5.317 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.909 5.969 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.165 6.003 -10.906 1.00 0.00 H new ATOM 238 N THR A 19 3.934 8.009 -8.623 1.00 0.00 N ATOM 239 CA THR A 19 3.569 9.393 -8.344 1.00 0.00 C ATOM 240 C THR A 19 3.074 9.545 -6.908 1.00 0.00 C ATOM 241 O THR A 19 3.454 10.484 -6.207 1.00 0.00 O ATOM 242 CB THR A 19 2.490 9.864 -9.321 1.00 0.00 C ATOM 243 OG1 THR A 19 2.878 9.604 -10.658 1.00 0.00 O ATOM 244 CG2 THR A 19 2.186 11.342 -9.210 1.00 0.00 C ATOM 0 H THR A 19 3.571 7.333 -7.951 1.00 0.00 H new ATOM 0 HA THR A 19 4.458 10.011 -8.470 1.00 0.00 H new ATOM 0 HB THR A 19 1.593 9.305 -9.054 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.854 9.652 -10.730 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.413 11.610 -9.930 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.837 11.567 -8.202 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.089 11.916 -9.417 1.00 0.00 H new ATOM 252 N LYS A 20 2.226 8.617 -6.479 1.00 0.00 N ATOM 253 CA LYS A 20 1.680 8.648 -5.128 1.00 0.00 C ATOM 254 C LYS A 20 2.689 8.108 -4.120 1.00 0.00 C ATOM 255 O LYS A 20 2.854 6.896 -3.981 1.00 0.00 O ATOM 256 CB LYS A 20 0.387 7.832 -5.060 1.00 0.00 C ATOM 257 CG LYS A 20 -0.587 8.142 -6.186 1.00 0.00 C ATOM 258 CD LYS A 20 -1.174 6.873 -6.786 1.00 0.00 C ATOM 259 CE LYS A 20 -2.607 6.651 -6.329 1.00 0.00 C ATOM 260 NZ LYS A 20 -3.558 7.560 -7.027 1.00 0.00 N ATOM 0 H LYS A 20 1.902 7.834 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 20 1.461 9.685 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.635 6.771 -5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.103 8.021 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.392 8.772 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.076 8.710 -6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.144 6.936 -7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.563 6.017 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.891 5.615 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.674 6.812 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.209 7.980 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.028 8.316 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.102 7.020 -7.730 1.00 0.00 H new ATOM 274 N THR A 21 3.362 9.016 -3.421 1.00 0.00 N ATOM 275 CA THR A 21 4.356 8.630 -2.426 1.00 0.00 C ATOM 276 C THR A 21 3.692 8.294 -1.094 1.00 0.00 C ATOM 277 O THR A 21 2.905 9.079 -0.565 1.00 0.00 O ATOM 278 CB THR A 21 5.374 9.755 -2.231 1.00 0.00 C ATOM 279 OG1 THR A 21 4.774 11.019 -2.454 1.00 0.00 O ATOM 280 CG2 THR A 21 6.571 9.646 -3.151 1.00 0.00 C ATOM 0 H THR A 21 3.237 10.023 -3.525 1.00 0.00 H new ATOM 0 HA THR A 21 4.871 7.740 -2.789 1.00 0.00 H new ATOM 0 HB THR A 21 5.718 9.657 -1.201 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.917 11.062 -1.980 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.253 10.475 -2.960 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.086 8.703 -2.968 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.237 9.682 -4.188 1.00 0.00 H new ATOM 288 N GLY A 22 4.013 7.121 -0.558 1.00 0.00 N ATOM 289 CA GLY A 22 3.439 6.700 0.706 1.00 0.00 C ATOM 290 C GLY A 22 4.272 5.639 1.397 1.00 0.00 C ATOM 291 O GLY A 22 5.093 4.975 0.764 1.00 0.00 O ATOM 0 H GLY A 22 4.661 6.454 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.340 7.565 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.434 6.314 0.534 1.00 0.00 H new ATOM 295 N VAL A 23 4.059 5.478 2.699 1.00 0.00 N ATOM 296 CA VAL A 23 4.797 4.490 3.476 1.00 0.00 C ATOM 297 C VAL A 23 4.075 3.147 3.487 1.00 0.00 C ATOM 298 O VAL A 23 2.850 3.088 3.374 1.00 0.00 O ATOM 299 CB VAL A 23 5.005 4.959 4.929 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.941 4.015 5.668 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.539 6.383 4.959 1.00 0.00 C ATOM 0 H VAL A 23 3.382 6.019 3.237 1.00 0.00 H new ATOM 0 HA VAL A 23 5.769 4.373 2.996 1.00 0.00 H new ATOM 0 HB VAL A 23 4.040 4.946 5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.075 4.363 6.692 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.513 3.013 5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.907 3.991 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.680 6.697 5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.493 6.425 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.827 7.049 4.471 1.00 0.00 H new ATOM 311 N VAL A 24 4.842 2.070 3.625 1.00 0.00 N ATOM 312 CA VAL A 24 4.276 0.727 3.651 1.00 0.00 C ATOM 313 C VAL A 24 3.587 0.449 4.982 1.00 0.00 C ATOM 314 O VAL A 24 4.159 0.678 6.048 1.00 0.00 O ATOM 315 CB VAL A 24 5.357 -0.344 3.411 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.728 -1.723 3.286 1.00 0.00 C ATOM 317 CG2 VAL A 24 6.175 -0.010 2.170 1.00 0.00 C ATOM 0 H VAL A 24 5.857 2.102 3.720 1.00 0.00 H new ATOM 0 HA VAL A 24 3.542 0.677 2.847 1.00 0.00 H new ATOM 0 HB VAL A 24 6.028 -0.353 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.508 -2.465 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.192 -1.963 4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.032 -1.731 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.933 -0.778 2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.518 0.030 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.660 0.957 2.303 1.00 0.00 H new ATOM 327 N ARG A 25 2.356 -0.046 4.914 1.00 0.00 N ATOM 328 CA ARG A 25 1.588 -0.355 6.115 1.00 0.00 C ATOM 329 C ARG A 25 1.366 -1.858 6.251 1.00 0.00 C ATOM 330 O ARG A 25 1.319 -2.391 7.359 1.00 0.00 O ATOM 331 CB ARG A 25 0.241 0.370 6.084 1.00 0.00 C ATOM 332 CG ARG A 25 0.349 1.867 6.322 1.00 0.00 C ATOM 333 CD ARG A 25 0.742 2.176 7.757 1.00 0.00 C ATOM 334 NE ARG A 25 1.044 3.591 7.951 1.00 0.00 N ATOM 335 CZ ARG A 25 1.742 4.068 8.979 1.00 0.00 C ATOM 336 NH1 ARG A 25 2.211 3.246 9.909 1.00 0.00 N ATOM 337 NH2 ARG A 25 1.972 5.370 9.078 1.00 0.00 N ATOM 0 H ARG A 25 1.868 -0.242 4.040 1.00 0.00 H new ATOM 0 HA ARG A 25 2.159 -0.012 6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.232 0.198 5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.413 -0.063 6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.087 2.292 5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.605 2.342 6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.068 1.884 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.612 1.579 8.031 1.00 0.00 H new ATOM 0 HE ARG A 25 0.699 4.254 7.257 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.037 2.243 9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.745 3.617 10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.614 6.007 8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.507 5.735 9.866 1.00 0.00 H new ATOM 351 N TYR A 26 1.232 -2.537 5.116 1.00 0.00 N ATOM 352 CA TYR A 26 1.016 -3.980 5.110 1.00 0.00 C ATOM 353 C TYR A 26 2.000 -4.675 4.174 1.00 0.00 C ATOM 354 O TYR A 26 2.320 -4.163 3.102 1.00 0.00 O ATOM 355 CB TYR A 26 -0.420 -4.298 4.688 1.00 0.00 C ATOM 356 CG TYR A 26 -0.801 -5.750 4.881 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.667 -6.363 6.120 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.296 -6.504 3.825 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.015 -7.688 6.301 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.646 -7.829 3.998 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.504 -8.417 5.237 1.00 0.00 C ATOM 362 OH TYR A 26 -1.851 -9.736 5.413 1.00 0.00 O ATOM 0 H TYR A 26 1.269 -2.112 4.190 1.00 0.00 H new ATOM 0 HA TYR A 26 1.182 -4.352 6.121 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.105 -3.672 5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.548 -4.034 3.638 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.285 -5.795 6.955 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.409 -6.047 2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.905 -8.150 7.271 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.029 -8.402 3.166 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.825 -9.811 5.487 1.00 0.00 H new ATOM 372 N VAL A 27 2.474 -5.846 4.588 1.00 0.00 N ATOM 373 CA VAL A 27 3.421 -6.612 3.787 1.00 0.00 C ATOM 374 C VAL A 27 3.206 -8.111 3.970 1.00 0.00 C ATOM 375 O VAL A 27 3.432 -8.653 5.052 1.00 0.00 O ATOM 376 CB VAL A 27 4.876 -6.263 4.152 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.845 -6.944 3.197 1.00 0.00 C ATOM 378 CG2 VAL A 27 5.080 -4.756 4.143 1.00 0.00 C ATOM 0 H VAL A 27 2.218 -6.284 5.473 1.00 0.00 H new ATOM 0 HA VAL A 27 3.244 -6.347 2.745 1.00 0.00 H new ATOM 0 HB VAL A 27 5.077 -6.629 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.868 -6.685 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.716 -8.025 3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.647 -6.610 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.113 -4.527 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.861 -4.365 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.412 -4.294 4.870 1.00 0.00 H new ATOM 388 N GLY A 28 2.771 -8.774 2.905 1.00 0.00 N ATOM 389 CA GLY A 28 2.532 -10.205 2.967 1.00 0.00 C ATOM 390 C GLY A 28 1.526 -10.670 1.934 1.00 0.00 C ATOM 391 O GLY A 28 1.302 -9.996 0.928 1.00 0.00 O ATOM 0 H GLY A 28 2.579 -8.347 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.473 -10.734 2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.174 -10.468 3.962 1.00 0.00 H new ATOM 395 N GLU A 29 0.917 -11.825 2.181 1.00 0.00 N ATOM 396 CA GLU A 29 -0.072 -12.380 1.264 1.00 0.00 C ATOM 397 C GLU A 29 -1.464 -11.840 1.574 1.00 0.00 C ATOM 398 O GLU A 29 -1.628 -10.977 2.437 1.00 0.00 O ATOM 399 CB GLU A 29 -0.073 -13.907 1.344 1.00 0.00 C ATOM 400 CG GLU A 29 1.297 -14.529 1.134 1.00 0.00 C ATOM 401 CD GLU A 29 1.293 -16.032 1.334 1.00 0.00 C ATOM 402 OE1 GLU A 29 1.075 -16.478 2.480 1.00 0.00 O ATOM 403 OE2 GLU A 29 1.507 -16.763 0.344 1.00 0.00 O ATOM 0 H GLU A 29 1.091 -12.395 3.009 1.00 0.00 H new ATOM 0 HA GLU A 29 0.197 -12.078 0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.455 -14.211 2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.760 -14.301 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.644 -14.301 0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.007 -14.076 1.826 1.00 0.00 H new ATOM 410 N THR A 30 -2.464 -12.355 0.865 1.00 0.00 N ATOM 411 CA THR A 30 -3.843 -11.925 1.066 1.00 0.00 C ATOM 412 C THR A 30 -4.805 -13.099 0.924 1.00 0.00 C ATOM 413 O THR A 30 -4.388 -14.231 0.680 1.00 0.00 O ATOM 414 CB THR A 30 -4.207 -10.828 0.064 1.00 0.00 C ATOM 415 OG1 THR A 30 -3.825 -11.201 -1.248 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.556 -9.497 0.371 1.00 0.00 C ATOM 0 H THR A 30 -2.345 -13.070 0.147 1.00 0.00 H new ATOM 0 HA THR A 30 -3.930 -11.528 2.077 1.00 0.00 H new ATOM 0 HB THR A 30 -5.288 -10.712 0.143 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.670 -10.396 -1.785 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.856 -8.764 -0.378 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.870 -9.157 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.472 -9.610 0.354 1.00 0.00 H new ATOM 424 N ASP A 31 -6.097 -12.822 1.079 1.00 0.00 N ATOM 425 CA ASP A 31 -7.118 -13.858 0.968 1.00 0.00 C ATOM 426 C ASP A 31 -8.272 -13.393 0.084 1.00 0.00 C ATOM 427 O ASP A 31 -9.413 -13.819 0.261 1.00 0.00 O ATOM 428 CB ASP A 31 -7.643 -14.234 2.354 1.00 0.00 C ATOM 429 CG ASP A 31 -6.749 -15.234 3.060 1.00 0.00 C ATOM 430 OD1 ASP A 31 -6.072 -16.020 2.363 1.00 0.00 O ATOM 431 OD2 ASP A 31 -6.724 -15.231 4.309 1.00 0.00 O ATOM 0 H ASP A 31 -6.460 -11.891 1.281 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.662 -14.735 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.729 -13.334 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.645 -14.651 2.259 1.00 0.00 H new ATOM 436 N PHE A 32 -7.967 -12.518 -0.870 1.00 0.00 N ATOM 437 CA PHE A 32 -8.978 -11.998 -1.782 1.00 0.00 C ATOM 438 C PHE A 32 -8.460 -11.979 -3.217 1.00 0.00 C ATOM 439 O PHE A 32 -9.158 -12.389 -4.144 1.00 0.00 O ATOM 440 CB PHE A 32 -9.403 -10.591 -1.359 1.00 0.00 C ATOM 441 CG PHE A 32 -8.252 -9.640 -1.186 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.748 -8.937 -2.268 1.00 0.00 C ATOM 443 CD2 PHE A 32 -7.675 -9.451 0.059 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.691 -8.062 -2.112 1.00 0.00 C ATOM 445 CE2 PHE A 32 -6.617 -8.576 0.222 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.124 -7.882 -0.865 1.00 0.00 C ATOM 0 H PHE A 32 -7.027 -12.155 -1.031 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.844 -12.658 -1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.087 -10.188 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.955 -10.654 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.187 -9.075 -3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.056 -9.993 0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.308 -7.519 -2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.177 -8.436 1.198 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.296 -7.199 -0.741 1.00 0.00 H new ATOM 456 N ALA A 33 -7.233 -11.499 -3.392 1.00 0.00 N ATOM 457 CA ALA A 33 -6.623 -11.427 -4.715 1.00 0.00 C ATOM 458 C ALA A 33 -5.412 -12.354 -4.826 1.00 0.00 C ATOM 459 O ALA A 33 -4.724 -12.365 -5.846 1.00 0.00 O ATOM 460 CB ALA A 33 -6.220 -9.995 -5.029 1.00 0.00 C ATOM 0 H ALA A 33 -6.642 -11.154 -2.635 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.363 -11.759 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.766 -9.954 -6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.103 -9.356 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.502 -9.648 -4.286 1.00 0.00 H new ATOM 466 N LYS A 34 -5.156 -13.131 -3.776 1.00 0.00 N ATOM 467 CA LYS A 34 -4.028 -14.056 -3.767 1.00 0.00 C ATOM 468 C LYS A 34 -2.713 -13.315 -3.989 1.00 0.00 C ATOM 469 O LYS A 34 -2.693 -12.091 -4.117 1.00 0.00 O ATOM 470 CB LYS A 34 -4.213 -15.129 -4.843 1.00 0.00 C ATOM 471 CG LYS A 34 -3.987 -16.544 -4.336 1.00 0.00 C ATOM 472 CD LYS A 34 -4.569 -17.576 -5.288 1.00 0.00 C ATOM 473 CE LYS A 34 -4.565 -18.965 -4.673 1.00 0.00 C ATOM 474 NZ LYS A 34 -4.503 -20.032 -5.710 1.00 0.00 N ATOM 0 H LYS A 34 -5.714 -13.138 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.991 -14.535 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.222 -15.054 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.523 -14.931 -5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.919 -16.722 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.443 -16.657 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.589 -17.296 -5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.993 -17.585 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.712 -19.062 -4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.463 -19.097 -4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.502 -20.964 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.330 -19.956 -6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.634 -19.922 -6.270 1.00 0.00 H new ATOM 488 N GLY A 35 -1.616 -14.065 -4.034 1.00 0.00 N ATOM 489 CA GLY A 35 -0.313 -13.460 -4.242 1.00 0.00 C ATOM 490 C GLY A 35 0.121 -12.600 -3.072 1.00 0.00 C ATOM 491 O GLY A 35 -0.462 -12.670 -1.990 1.00 0.00 O ATOM 0 H GLY A 35 -1.606 -15.080 -3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.426 -14.244 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.339 -12.852 -5.146 1.00 0.00 H new ATOM 495 N GLU A 36 1.149 -11.784 -3.289 1.00 0.00 N ATOM 496 CA GLU A 36 1.661 -10.907 -2.243 1.00 0.00 C ATOM 497 C GLU A 36 1.276 -9.455 -2.515 1.00 0.00 C ATOM 498 O GLU A 36 1.688 -8.870 -3.516 1.00 0.00 O ATOM 499 CB GLU A 36 3.183 -11.032 -2.145 1.00 0.00 C ATOM 500 CG GLU A 36 3.642 -12.107 -1.171 1.00 0.00 C ATOM 501 CD GLU A 36 4.193 -13.333 -1.874 1.00 0.00 C ATOM 502 OE1 GLU A 36 3.875 -13.527 -3.066 1.00 0.00 O ATOM 503 OE2 GLU A 36 4.940 -14.099 -1.231 1.00 0.00 O ATOM 0 H GLU A 36 1.642 -11.713 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 36 1.216 -11.212 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.586 -11.252 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.599 -10.073 -1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.408 -11.694 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.804 -12.401 -0.539 1.00 0.00 H new ATOM 510 N TRP A 37 0.483 -8.882 -1.616 1.00 0.00 N ATOM 511 CA TRP A 37 0.041 -7.499 -1.757 1.00 0.00 C ATOM 512 C TRP A 37 0.662 -6.615 -0.681 1.00 0.00 C ATOM 513 O TRP A 37 1.031 -7.092 0.392 1.00 0.00 O ATOM 514 CB TRP A 37 -1.484 -7.419 -1.680 1.00 0.00 C ATOM 515 CG TRP A 37 -2.173 -8.011 -2.871 1.00 0.00 C ATOM 516 CD1 TRP A 37 -2.379 -9.337 -3.124 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.745 -7.299 -3.973 1.00 0.00 C ATOM 518 NE1 TRP A 37 -3.044 -9.493 -4.316 1.00 0.00 N ATOM 519 CE2 TRP A 37 -3.280 -8.256 -4.857 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.857 -5.944 -4.299 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.918 -7.901 -6.043 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.490 -5.593 -5.478 1.00 0.00 C ATOM 523 CH2 TRP A 37 -4.013 -6.567 -6.336 1.00 0.00 C ATOM 0 H TRP A 37 0.133 -9.354 -0.782 1.00 0.00 H new ATOM 0 HA TRP A 37 0.369 -7.138 -2.732 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.822 -7.934 -0.781 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.781 -6.375 -1.580 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.065 -10.146 -2.481 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.317 -10.384 -4.731 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.457 -5.185 -3.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.323 -8.650 -6.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.582 -4.549 -5.741 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.502 -6.260 -7.249 1.00 0.00 H new ATOM 534 N CYS A 38 0.776 -5.324 -0.976 1.00 0.00 N ATOM 535 CA CYS A 38 1.353 -4.372 -0.033 1.00 0.00 C ATOM 536 C CYS A 38 0.531 -3.089 0.015 1.00 0.00 C ATOM 537 O CYS A 38 0.207 -2.508 -1.021 1.00 0.00 O ATOM 538 CB CYS A 38 2.797 -4.052 -0.419 1.00 0.00 C ATOM 539 SG CYS A 38 4.019 -5.183 0.287 1.00 0.00 S ATOM 0 H CYS A 38 0.477 -4.913 -1.860 1.00 0.00 H new ATOM 0 HA CYS A 38 1.342 -4.827 0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.884 -4.072 -1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.031 -3.036 -0.099 1.00 0.00 H new ATOM 0 HG CYS A 38 3.786 -6.391 -0.134 1.00 0.00 H new ATOM 545 N GLY A 39 0.195 -2.652 1.225 1.00 0.00 N ATOM 546 CA GLY A 39 -0.587 -1.440 1.384 1.00 0.00 C ATOM 547 C GLY A 39 0.276 -0.227 1.674 1.00 0.00 C ATOM 548 O GLY A 39 1.169 -0.280 2.518 1.00 0.00 O ATOM 0 H GLY A 39 0.450 -3.115 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.165 -1.262 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.302 -1.576 2.196 1.00 0.00 H new ATOM 552 N VAL A 40 0.007 0.869 0.972 1.00 0.00 N ATOM 553 CA VAL A 40 0.765 2.101 1.158 1.00 0.00 C ATOM 554 C VAL A 40 -0.122 3.214 1.706 1.00 0.00 C ATOM 555 O VAL A 40 -1.288 3.335 1.330 1.00 0.00 O ATOM 556 CB VAL A 40 1.403 2.573 -0.162 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.352 3.735 0.087 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.125 1.422 -0.848 1.00 0.00 C ATOM 0 H VAL A 40 -0.730 0.929 0.269 1.00 0.00 H new ATOM 0 HA VAL A 40 1.555 1.881 1.876 1.00 0.00 H new ATOM 0 HB VAL A 40 0.609 2.920 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.792 4.054 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.802 4.565 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.143 3.420 0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.569 1.774 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.909 1.042 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.415 0.624 -1.064 1.00 0.00 H new ATOM 568 N GLU A 41 0.439 4.025 2.598 1.00 0.00 N ATOM 569 CA GLU A 41 -0.301 5.128 3.199 1.00 0.00 C ATOM 570 C GLU A 41 0.157 6.466 2.625 1.00 0.00 C ATOM 571 O GLU A 41 1.292 6.888 2.840 1.00 0.00 O ATOM 572 CB GLU A 41 -0.123 5.124 4.717 1.00 0.00 C ATOM 573 CG GLU A 41 -1.013 6.123 5.438 1.00 0.00 C ATOM 574 CD GLU A 41 -0.327 7.455 5.667 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.921 7.489 5.659 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.038 8.465 5.855 1.00 0.00 O ATOM 0 H GLU A 41 1.403 3.939 2.920 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.357 4.994 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.333 4.124 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.919 5.342 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.921 6.281 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.318 5.706 6.398 1.00 0.00 H new ATOM 583 N LEU A 42 -0.735 7.125 1.893 1.00 0.00 N ATOM 584 CA LEU A 42 -0.422 8.415 1.287 1.00 0.00 C ATOM 585 C LEU A 42 -0.818 9.561 2.213 1.00 0.00 C ATOM 586 O LEU A 42 -1.750 9.438 3.006 1.00 0.00 O ATOM 587 CB LEU A 42 -1.140 8.558 -0.056 1.00 0.00 C ATOM 588 CG LEU A 42 -0.938 7.391 -1.025 1.00 0.00 C ATOM 589 CD1 LEU A 42 -1.913 7.488 -2.189 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.497 7.360 -1.529 1.00 0.00 C ATOM 0 H LEU A 42 -1.679 6.788 1.705 1.00 0.00 H new ATOM 0 HA LEU A 42 0.655 8.460 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.208 8.675 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.798 9.474 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.135 6.461 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.754 6.650 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.935 7.460 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.749 8.424 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.623 6.524 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.721 8.293 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.177 7.241 -0.685 1.00 0.00 H new ATOM 602 N ASP A 43 -0.101 10.676 2.106 1.00 0.00 N ATOM 603 CA ASP A 43 -0.376 11.844 2.935 1.00 0.00 C ATOM 604 C ASP A 43 -1.551 12.642 2.378 1.00 0.00 C ATOM 605 O ASP A 43 -2.390 13.138 3.130 1.00 0.00 O ATOM 606 CB ASP A 43 0.863 12.734 3.026 1.00 0.00 C ATOM 607 CG ASP A 43 1.854 12.243 4.062 1.00 0.00 C ATOM 608 OD1 ASP A 43 1.435 11.512 4.983 1.00 0.00 O ATOM 609 OD2 ASP A 43 3.048 12.590 3.952 1.00 0.00 O ATOM 0 H ASP A 43 0.674 10.795 1.454 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.638 11.496 3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.350 12.774 2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.559 13.751 3.272 1.00 0.00 H new ATOM 614 N GLU A 44 -1.605 12.764 1.055 1.00 0.00 N ATOM 615 CA GLU A 44 -2.677 13.503 0.400 1.00 0.00 C ATOM 616 C GLU A 44 -3.755 12.554 -0.120 1.00 0.00 C ATOM 617 O GLU A 44 -3.454 11.447 -0.566 1.00 0.00 O ATOM 618 CB GLU A 44 -2.117 14.338 -0.754 1.00 0.00 C ATOM 619 CG GLU A 44 -1.032 15.312 -0.330 1.00 0.00 C ATOM 620 CD GLU A 44 -1.171 16.667 -0.996 1.00 0.00 C ATOM 621 OE1 GLU A 44 -2.308 17.184 -1.058 1.00 0.00 O ATOM 622 OE2 GLU A 44 -0.146 17.213 -1.455 1.00 0.00 O ATOM 0 H GLU A 44 -0.919 12.361 0.417 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.129 14.168 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.715 13.668 -1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.932 14.894 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.065 15.438 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.056 14.891 -0.572 1.00 0.00 H new ATOM 629 N PRO A 45 -5.031 12.976 -0.072 1.00 0.00 N ATOM 630 CA PRO A 45 -6.152 12.155 -0.542 1.00 0.00 C ATOM 631 C PRO A 45 -5.955 11.678 -1.978 1.00 0.00 C ATOM 632 O PRO A 45 -6.364 12.348 -2.926 1.00 0.00 O ATOM 633 CB PRO A 45 -7.353 13.101 -0.454 1.00 0.00 C ATOM 634 CG PRO A 45 -6.969 14.111 0.570 1.00 0.00 C ATOM 635 CD PRO A 45 -5.481 14.282 0.444 1.00 0.00 C ATOM 0 HA PRO A 45 -6.267 11.247 0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.557 13.571 -1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.257 12.566 -0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.486 15.055 0.400 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.240 13.775 1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.226 15.093 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.020 14.515 1.404 1.00 0.00 H new ATOM 643 N LEU A 46 -5.326 10.517 -2.130 1.00 0.00 N ATOM 644 CA LEU A 46 -5.075 9.952 -3.450 1.00 0.00 C ATOM 645 C LEU A 46 -5.152 8.429 -3.415 1.00 0.00 C ATOM 646 O LEU A 46 -4.468 7.745 -4.176 1.00 0.00 O ATOM 647 CB LEU A 46 -3.703 10.393 -3.965 1.00 0.00 C ATOM 648 CG LEU A 46 -3.566 11.892 -4.242 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.100 12.283 -4.341 1.00 0.00 C ATOM 650 CD2 LEU A 46 -4.307 12.266 -5.517 1.00 0.00 C ATOM 0 H LEU A 46 -4.981 9.950 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.846 10.321 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.947 10.103 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.484 9.848 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.012 12.440 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.021 13.352 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.597 12.049 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.630 11.729 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.200 13.335 -5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.889 11.711 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.364 12.020 -5.409 1.00 0.00 H new ATOM 662 N GLY A 47 -5.990 7.903 -2.527 1.00 0.00 N ATOM 663 CA GLY A 47 -6.140 6.464 -2.409 1.00 0.00 C ATOM 664 C GLY A 47 -7.502 5.983 -2.870 1.00 0.00 C ATOM 665 O GLY A 47 -8.299 6.763 -3.392 1.00 0.00 O ATOM 0 H GLY A 47 -6.568 8.448 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.366 5.972 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.986 6.170 -1.371 1.00 0.00 H new ATOM 669 N LYS A 48 -7.769 4.695 -2.677 1.00 0.00 N ATOM 670 CA LYS A 48 -9.045 4.110 -3.076 1.00 0.00 C ATOM 671 C LYS A 48 -9.567 3.146 -2.014 1.00 0.00 C ATOM 672 O LYS A 48 -10.410 2.295 -2.296 1.00 0.00 O ATOM 673 CB LYS A 48 -8.897 3.381 -4.413 1.00 0.00 C ATOM 674 CG LYS A 48 -7.758 2.373 -4.431 1.00 0.00 C ATOM 675 CD LYS A 48 -8.237 0.996 -4.862 1.00 0.00 C ATOM 676 CE LYS A 48 -7.104 -0.019 -4.843 1.00 0.00 C ATOM 677 NZ LYS A 48 -7.558 -1.348 -4.346 1.00 0.00 N ATOM 0 H LYS A 48 -7.119 4.037 -2.247 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.766 4.920 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.830 2.867 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.735 4.115 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.978 2.717 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.312 2.310 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.036 0.664 -4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.659 1.054 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.696 -0.127 -5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.297 0.349 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.757 -2.012 -4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.924 -1.250 -3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.311 -1.712 -4.965 1.00 0.00 H new ATOM 691 N ASN A 49 -9.062 3.284 -0.791 1.00 0.00 N ATOM 692 CA ASN A 49 -9.481 2.422 0.311 1.00 0.00 C ATOM 693 C ASN A 49 -8.901 2.912 1.634 1.00 0.00 C ATOM 694 O ASN A 49 -8.123 3.865 1.667 1.00 0.00 O ATOM 695 CB ASN A 49 -9.044 0.979 0.052 1.00 0.00 C ATOM 696 CG ASN A 49 -10.133 0.154 -0.605 1.00 0.00 C ATOM 697 OD1 ASN A 49 -11.154 -0.151 0.010 1.00 0.00 O ATOM 698 ND2 ASN A 49 -9.919 -0.211 -1.864 1.00 0.00 N ATOM 0 H ASN A 49 -8.363 3.983 -0.538 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.568 2.458 0.376 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.159 0.979 -0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.759 0.514 0.996 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.616 -0.767 -2.359 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.057 0.064 -2.335 1.00 0.00 H new ATOM 705 N ASP A 50 -9.283 2.251 2.721 1.00 0.00 N ATOM 706 CA ASP A 50 -8.801 2.616 4.048 1.00 0.00 C ATOM 707 C ASP A 50 -8.096 1.438 4.713 1.00 0.00 C ATOM 708 O ASP A 50 -8.114 1.301 5.936 1.00 0.00 O ATOM 709 CB ASP A 50 -9.961 3.092 4.923 1.00 0.00 C ATOM 710 CG ASP A 50 -11.152 2.154 4.865 1.00 0.00 C ATOM 711 OD1 ASP A 50 -11.784 2.063 3.792 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.451 1.512 5.894 1.00 0.00 O ATOM 0 H ASP A 50 -9.926 1.459 2.709 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.084 3.429 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.622 3.180 5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.270 4.087 4.603 1.00 0.00 H new ATOM 717 N GLY A 51 -7.477 0.589 3.899 1.00 0.00 N ATOM 718 CA GLY A 51 -6.776 -0.567 4.425 1.00 0.00 C ATOM 719 C GLY A 51 -7.713 -1.708 4.767 1.00 0.00 C ATOM 720 O GLY A 51 -7.422 -2.514 5.652 1.00 0.00 O ATOM 0 H GLY A 51 -7.449 0.681 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.045 -0.909 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.221 -0.277 5.317 1.00 0.00 H new ATOM 724 N ALA A 52 -8.839 -1.778 4.066 1.00 0.00 N ATOM 725 CA ALA A 52 -9.822 -2.830 4.301 1.00 0.00 C ATOM 726 C ALA A 52 -10.248 -3.484 2.991 1.00 0.00 C ATOM 727 O ALA A 52 -10.357 -2.820 1.961 1.00 0.00 O ATOM 728 CB ALA A 52 -11.031 -2.268 5.032 1.00 0.00 C ATOM 0 H ALA A 52 -9.094 -1.119 3.330 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.359 -3.595 4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.756 -3.064 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.717 -1.854 5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.488 -1.483 4.430 1.00 0.00 H new ATOM 734 N VAL A 53 -10.489 -4.791 3.039 1.00 0.00 N ATOM 735 CA VAL A 53 -10.904 -5.535 1.855 1.00 0.00 C ATOM 736 C VAL A 53 -11.879 -6.649 2.220 1.00 0.00 C ATOM 737 O VAL A 53 -11.500 -7.640 2.843 1.00 0.00 O ATOM 738 CB VAL A 53 -9.695 -6.147 1.124 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.122 -6.745 -0.207 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.607 -5.102 0.923 1.00 0.00 C ATOM 0 H VAL A 53 -10.404 -5.356 3.884 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.399 -4.825 1.193 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.288 -6.948 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.254 -7.173 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.863 -7.526 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.556 -5.966 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.761 -5.553 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.000 -4.278 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.280 -4.726 1.892 1.00 0.00 H new ATOM 750 N ALA A 54 -13.137 -6.479 1.826 1.00 0.00 N ATOM 751 CA ALA A 54 -14.168 -7.470 2.111 1.00 0.00 C ATOM 752 C ALA A 54 -14.315 -7.697 3.613 1.00 0.00 C ATOM 753 O ALA A 54 -14.380 -8.835 4.077 1.00 0.00 O ATOM 754 CB ALA A 54 -13.848 -8.781 1.406 1.00 0.00 C ATOM 0 H ALA A 54 -13.467 -5.664 1.308 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.117 -7.088 1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.626 -9.512 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.803 -8.614 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.886 -9.157 1.756 1.00 0.00 H new ATOM 760 N GLY A 55 -14.367 -6.604 4.368 1.00 0.00 N ATOM 761 CA GLY A 55 -14.505 -6.704 5.808 1.00 0.00 C ATOM 762 C GLY A 55 -13.240 -7.198 6.481 1.00 0.00 C ATOM 763 O GLY A 55 -13.294 -7.808 7.549 1.00 0.00 O ATOM 0 H GLY A 55 -14.316 -5.651 4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.770 -5.727 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.326 -7.381 6.045 1.00 0.00 H new ATOM 767 N THR A 56 -12.097 -6.933 5.855 1.00 0.00 N ATOM 768 CA THR A 56 -10.812 -7.354 6.400 1.00 0.00 C ATOM 769 C THR A 56 -9.831 -6.187 6.441 1.00 0.00 C ATOM 770 O THR A 56 -9.227 -5.836 5.428 1.00 0.00 O ATOM 771 CB THR A 56 -10.230 -8.496 5.565 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.260 -9.202 4.896 1.00 0.00 O ATOM 773 CG2 THR A 56 -9.444 -9.496 6.385 1.00 0.00 C ATOM 0 H THR A 56 -12.035 -6.429 4.970 1.00 0.00 H new ATOM 0 HA THR A 56 -10.974 -7.705 7.419 1.00 0.00 H new ATOM 0 HB THR A 56 -9.552 -8.021 4.856 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.305 -8.908 3.962 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.059 -10.279 5.732 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.612 -8.991 6.875 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.094 -9.939 7.139 1.00 0.00 H new ATOM 781 N ARG A 57 -9.678 -5.590 7.618 1.00 0.00 N ATOM 782 CA ARG A 57 -8.771 -4.462 7.790 1.00 0.00 C ATOM 783 C ARG A 57 -7.458 -4.911 8.425 1.00 0.00 C ATOM 784 O ARG A 57 -7.443 -5.437 9.536 1.00 0.00 O ATOM 785 CB ARG A 57 -9.425 -3.381 8.653 1.00 0.00 C ATOM 786 CG ARG A 57 -8.704 -2.043 8.601 1.00 0.00 C ATOM 787 CD ARG A 57 -9.678 -0.888 8.434 1.00 0.00 C ATOM 788 NE ARG A 57 -10.579 -0.763 9.577 1.00 0.00 N ATOM 789 CZ ARG A 57 -11.620 0.067 9.613 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.893 0.845 8.574 1.00 0.00 N ATOM 791 NH2 ARG A 57 -12.388 0.118 10.693 1.00 0.00 N ATOM 0 H ARG A 57 -10.170 -5.869 8.467 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.555 -4.049 6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.456 -3.242 8.327 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.461 -3.725 9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.128 -1.904 9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.994 -2.044 7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.121 0.041 8.308 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.263 -1.035 7.526 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.400 -1.345 10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.304 0.810 7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.692 1.479 8.607 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.181 -0.478 11.495 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.186 0.753 10.722 1.00 0.00 H new ATOM 805 N TYR A 58 -6.358 -4.699 7.709 1.00 0.00 N ATOM 806 CA TYR A 58 -5.040 -5.082 8.202 1.00 0.00 C ATOM 807 C TYR A 58 -4.406 -3.946 8.997 1.00 0.00 C ATOM 808 O TYR A 58 -3.888 -4.156 10.095 1.00 0.00 O ATOM 809 CB TYR A 58 -4.131 -5.473 7.036 1.00 0.00 C ATOM 810 CG TYR A 58 -4.741 -6.499 6.110 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.541 -6.111 5.042 1.00 0.00 C ATOM 812 CD2 TYR A 58 -4.517 -7.857 6.301 1.00 0.00 C ATOM 813 CE1 TYR A 58 -6.101 -7.046 4.192 1.00 0.00 C ATOM 814 CE2 TYR A 58 -5.073 -8.798 5.456 1.00 0.00 C ATOM 815 CZ TYR A 58 -5.863 -8.388 4.404 1.00 0.00 C ATOM 816 OH TYR A 58 -6.419 -9.322 3.560 1.00 0.00 O ATOM 0 H TYR A 58 -6.353 -4.264 6.786 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.162 -5.940 8.863 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.885 -4.579 6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.194 -5.865 7.432 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.728 -5.061 4.873 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.898 -8.182 7.124 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.721 -6.728 3.367 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.889 -9.850 5.619 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.153 -10.221 3.846 1.00 0.00 H new ATOM 826 N PHE A 59 -4.451 -2.741 8.437 1.00 0.00 N ATOM 827 CA PHE A 59 -3.880 -1.571 9.093 1.00 0.00 C ATOM 828 C PHE A 59 -4.921 -0.464 9.230 1.00 0.00 C ATOM 829 O PHE A 59 -5.552 -0.067 8.250 1.00 0.00 O ATOM 830 CB PHE A 59 -2.674 -1.056 8.307 1.00 0.00 C ATOM 831 CG PHE A 59 -3.003 -0.655 6.897 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.415 0.635 6.608 1.00 0.00 C ATOM 833 CD2 PHE A 59 -2.900 -1.570 5.861 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.718 1.006 5.311 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.202 -1.205 4.563 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.612 0.085 4.288 1.00 0.00 C ATOM 0 H PHE A 59 -4.877 -2.550 7.530 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.555 -1.867 10.090 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.249 -0.199 8.830 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.907 -1.830 8.286 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.501 1.359 7.404 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.580 -2.580 6.071 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.037 2.016 5.098 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.118 -1.927 3.765 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.849 0.373 3.274 1.00 0.00 H new ATOM 846 N GLN A 60 -5.095 0.029 10.452 1.00 0.00 N ATOM 847 CA GLN A 60 -6.061 1.091 10.716 1.00 0.00 C ATOM 848 C GLN A 60 -5.657 2.382 10.013 1.00 0.00 C ATOM 849 O GLN A 60 -4.612 2.961 10.309 1.00 0.00 O ATOM 850 CB GLN A 60 -6.185 1.333 12.222 1.00 0.00 C ATOM 851 CG GLN A 60 -7.354 2.227 12.599 1.00 0.00 C ATOM 852 CD GLN A 60 -8.691 1.646 12.183 1.00 0.00 C ATOM 853 OE1 GLN A 60 -9.288 0.850 12.907 1.00 0.00 O ATOM 854 NE2 GLN A 60 -9.170 2.044 11.009 1.00 0.00 N ATOM 0 H GLN A 60 -4.581 -0.289 11.274 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.028 0.774 10.325 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.294 0.374 12.728 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.262 1.783 12.587 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.351 2.387 13.677 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.225 3.203 12.132 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.642 2.706 10.440 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.066 1.688 10.676 1.00 0.00 H new ATOM 863 N CYS A 61 -6.493 2.829 9.081 1.00 0.00 N ATOM 864 CA CYS A 61 -6.222 4.053 8.336 1.00 0.00 C ATOM 865 C CYS A 61 -7.525 4.737 7.923 1.00 0.00 C ATOM 866 O CYS A 61 -8.534 4.074 7.684 1.00 0.00 O ATOM 867 CB CYS A 61 -5.377 3.746 7.098 1.00 0.00 C ATOM 868 SG CYS A 61 -3.615 4.100 7.302 1.00 0.00 S ATOM 0 H CYS A 61 -7.363 2.362 8.824 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.667 4.730 8.985 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.498 2.694 6.840 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.758 4.326 6.258 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.917 3.099 6.853 1.00 0.00 H new ATOM 874 N PRO A 62 -7.518 6.079 7.834 1.00 0.00 N ATOM 875 CA PRO A 62 -8.704 6.850 7.449 1.00 0.00 C ATOM 876 C PRO A 62 -9.052 6.679 5.972 1.00 0.00 C ATOM 877 O PRO A 62 -8.245 6.180 5.189 1.00 0.00 O ATOM 878 CB PRO A 62 -8.296 8.295 7.739 1.00 0.00 C ATOM 879 CG PRO A 62 -6.811 8.299 7.626 1.00 0.00 C ATOM 880 CD PRO A 62 -6.356 6.947 8.103 1.00 0.00 C ATOM 0 HA PRO A 62 -9.594 6.528 7.990 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.749 8.985 7.027 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.618 8.606 8.733 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.498 8.475 6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.376 9.094 8.232 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.470 6.609 7.566 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.101 6.960 9.163 1.00 0.00 H new ATOM 888 N PRO A 63 -10.267 7.095 5.572 1.00 0.00 N ATOM 889 CA PRO A 63 -10.722 6.985 4.181 1.00 0.00 C ATOM 890 C PRO A 63 -9.812 7.739 3.215 1.00 0.00 C ATOM 891 O PRO A 63 -9.444 8.886 3.463 1.00 0.00 O ATOM 892 CB PRO A 63 -12.118 7.617 4.203 1.00 0.00 C ATOM 893 CG PRO A 63 -12.546 7.558 5.629 1.00 0.00 C ATOM 894 CD PRO A 63 -11.291 7.698 6.441 1.00 0.00 C ATOM 0 HA PRO A 63 -10.717 5.952 3.834 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.092 8.645 3.841 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.809 7.071 3.561 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -13.251 8.357 5.859 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.049 6.616 5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -11.068 8.742 6.663 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.368 7.178 7.396 1.00 0.00 H new ATOM 902 N LYS A 64 -9.456 7.086 2.114 1.00 0.00 N ATOM 903 CA LYS A 64 -8.591 7.694 1.107 1.00 0.00 C ATOM 904 C LYS A 64 -7.194 7.943 1.669 1.00 0.00 C ATOM 905 O LYS A 64 -6.579 8.974 1.394 1.00 0.00 O ATOM 906 CB LYS A 64 -9.196 9.008 0.606 1.00 0.00 C ATOM 907 CG LYS A 64 -10.666 8.899 0.236 1.00 0.00 C ATOM 908 CD LYS A 64 -10.846 8.510 -1.222 1.00 0.00 C ATOM 909 CE LYS A 64 -10.698 7.010 -1.419 1.00 0.00 C ATOM 910 NZ LYS A 64 -11.359 6.547 -2.671 1.00 0.00 N ATOM 0 H LYS A 64 -9.753 6.135 1.895 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.508 7.001 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.080 9.769 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.635 9.348 -0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.149 8.158 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.161 9.852 0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.830 8.828 -1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.110 9.033 -1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.640 6.750 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.130 6.487 -0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.629 5.548 -2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.209 7.120 -2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.701 6.650 -3.470 1.00 0.00 H new ATOM 924 N PHE A 65 -6.699 6.992 2.453 1.00 0.00 N ATOM 925 CA PHE A 65 -5.374 7.108 3.052 1.00 0.00 C ATOM 926 C PHE A 65 -4.682 5.749 3.107 1.00 0.00 C ATOM 927 O PHE A 65 -3.884 5.483 4.005 1.00 0.00 O ATOM 928 CB PHE A 65 -5.475 7.699 4.459 1.00 0.00 C ATOM 929 CG PHE A 65 -5.378 9.197 4.489 1.00 0.00 C ATOM 930 CD1 PHE A 65 -4.146 9.824 4.593 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.520 9.980 4.414 1.00 0.00 C ATOM 932 CE1 PHE A 65 -4.055 11.202 4.620 1.00 0.00 C ATOM 933 CE2 PHE A 65 -6.434 11.359 4.441 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.200 11.971 4.545 1.00 0.00 C ATOM 0 H PHE A 65 -7.195 6.132 2.689 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.779 7.775 2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.422 7.395 4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.682 7.279 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.247 9.228 4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.487 9.507 4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.089 11.678 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.331 11.958 4.381 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.131 13.049 4.568 1.00 0.00 H new ATOM 944 N GLY A 66 -4.996 4.893 2.140 1.00 0.00 N ATOM 945 CA GLY A 66 -4.397 3.572 2.095 1.00 0.00 C ATOM 946 C GLY A 66 -4.684 2.849 0.793 1.00 0.00 C ATOM 947 O GLY A 66 -5.838 2.557 0.479 1.00 0.00 O ATOM 0 H GLY A 66 -5.655 5.091 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.319 3.661 2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.773 2.977 2.928 1.00 0.00 H new ATOM 951 N LEU A 67 -3.633 2.561 0.033 1.00 0.00 N ATOM 952 CA LEU A 67 -3.778 1.871 -1.243 1.00 0.00 C ATOM 953 C LEU A 67 -3.455 0.387 -1.097 1.00 0.00 C ATOM 954 O LEU A 67 -2.947 -0.050 -0.064 1.00 0.00 O ATOM 955 CB LEU A 67 -2.867 2.505 -2.296 1.00 0.00 C ATOM 956 CG LEU A 67 -3.500 2.678 -3.679 1.00 0.00 C ATOM 957 CD1 LEU A 67 -3.137 4.033 -4.268 1.00 0.00 C ATOM 958 CD2 LEU A 67 -3.062 1.556 -4.612 1.00 0.00 C ATOM 0 H LEU A 67 -2.671 2.795 0.279 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.814 1.968 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.545 3.482 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.972 1.892 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.583 2.631 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.596 4.137 -5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.500 4.824 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.054 4.110 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.522 1.696 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.977 1.572 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.373 0.597 -4.199 1.00 0.00 H new ATOM 970 N PHE A 68 -3.754 -0.383 -2.139 1.00 0.00 N ATOM 971 CA PHE A 68 -3.496 -1.819 -2.127 1.00 0.00 C ATOM 972 C PHE A 68 -3.019 -2.297 -3.495 1.00 0.00 C ATOM 973 O PHE A 68 -3.815 -2.467 -4.416 1.00 0.00 O ATOM 974 CB PHE A 68 -4.759 -2.582 -1.721 1.00 0.00 C ATOM 975 CG PHE A 68 -4.906 -2.752 -0.236 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.842 -3.197 0.532 1.00 0.00 C ATOM 977 CD2 PHE A 68 -6.108 -2.468 0.392 1.00 0.00 C ATOM 978 CE1 PHE A 68 -3.974 -3.355 1.899 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.246 -2.624 1.757 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.179 -3.069 2.512 1.00 0.00 C ATOM 0 H PHE A 68 -4.175 -0.037 -3.001 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.710 -2.015 -1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.632 -2.055 -2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.747 -3.565 -2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.899 -3.423 0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.947 -2.121 -0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.137 -3.701 2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.188 -2.398 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.286 -3.193 3.579 1.00 0.00 H new ATOM 990 N ALA A 69 -1.713 -2.511 -3.618 1.00 0.00 N ATOM 991 CA ALA A 69 -1.129 -2.970 -4.873 1.00 0.00 C ATOM 992 C ALA A 69 -0.142 -4.109 -4.635 1.00 0.00 C ATOM 993 O ALA A 69 0.427 -4.232 -3.549 1.00 0.00 O ATOM 994 CB ALA A 69 -0.444 -1.815 -5.589 1.00 0.00 C ATOM 0 H ALA A 69 -1.039 -2.374 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.934 -3.348 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.012 -2.171 -6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.174 -1.034 -5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.346 -1.411 -4.955 1.00 0.00 H new ATOM 1000 N PRO A 70 0.078 -4.961 -5.651 1.00 0.00 N ATOM 1001 CA PRO A 70 1.004 -6.093 -5.546 1.00 0.00 C ATOM 1002 C PRO A 70 2.405 -5.655 -5.134 1.00 0.00 C ATOM 1003 O PRO A 70 2.859 -4.570 -5.498 1.00 0.00 O ATOM 1004 CB PRO A 70 1.022 -6.680 -6.961 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.258 -6.232 -7.577 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.556 -4.886 -6.980 1.00 0.00 C ATOM 0 HA PRO A 70 0.689 -6.805 -4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.881 -6.320 -7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.090 -7.768 -6.937 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.167 -6.166 -8.661 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.061 -6.939 -7.366 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.139 -4.078 -7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.629 -4.707 -6.905 1.00 0.00 H new ATOM 1014 N ILE A 71 3.088 -6.505 -4.374 1.00 0.00 N ATOM 1015 CA ILE A 71 4.438 -6.204 -3.913 1.00 0.00 C ATOM 1016 C ILE A 71 5.378 -5.951 -5.089 1.00 0.00 C ATOM 1017 O ILE A 71 6.150 -4.992 -5.085 1.00 0.00 O ATOM 1018 CB ILE A 71 5.004 -7.346 -3.044 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.378 -6.965 -2.487 1.00 0.00 C ATOM 1020 CG2 ILE A 71 5.089 -8.636 -3.847 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.576 -7.369 -1.042 1.00 0.00 C ATOM 0 H ILE A 71 2.728 -7.408 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 71 4.372 -5.300 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 71 4.327 -7.509 -2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.151 -7.433 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.511 -5.887 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.490 -9.430 -3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.094 -8.915 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.744 -8.488 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.571 -7.068 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.825 -6.880 -0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.475 -8.450 -0.949 1.00 0.00 H new ATOM 1033 N HIS A 72 5.306 -6.815 -6.096 1.00 0.00 N ATOM 1034 CA HIS A 72 6.150 -6.683 -7.278 1.00 0.00 C ATOM 1035 C HIS A 72 5.845 -5.389 -8.029 1.00 0.00 C ATOM 1036 O HIS A 72 6.665 -4.909 -8.812 1.00 0.00 O ATOM 1037 CB HIS A 72 5.956 -7.883 -8.207 1.00 0.00 C ATOM 1038 CG HIS A 72 4.548 -8.050 -8.686 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.597 -8.800 -8.030 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.932 -7.545 -9.786 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.459 -8.730 -8.736 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.610 -7.980 -9.810 1.00 0.00 N ATOM 0 H HIS A 72 4.672 -7.614 -6.117 1.00 0.00 H new ATOM 0 HA HIS A 72 7.188 -6.652 -6.947 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.614 -7.774 -9.069 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.263 -8.789 -7.685 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.394 -6.907 -10.525 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.539 -9.224 -8.461 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.904 -7.763 -10.513 1.00 0.00 H new ATOM 1050 N LYS A 73 4.662 -4.828 -7.789 1.00 0.00 N ATOM 1051 CA LYS A 73 4.257 -3.591 -8.446 1.00 0.00 C ATOM 1052 C LYS A 73 4.536 -2.379 -7.560 1.00 0.00 C ATOM 1053 O LYS A 73 3.898 -1.336 -7.703 1.00 0.00 O ATOM 1054 CB LYS A 73 2.770 -3.643 -8.802 1.00 0.00 C ATOM 1055 CG LYS A 73 2.484 -4.348 -10.118 1.00 0.00 C ATOM 1056 CD LYS A 73 2.755 -3.442 -11.309 1.00 0.00 C ATOM 1057 CE LYS A 73 4.023 -3.850 -12.044 1.00 0.00 C ATOM 1058 NZ LYS A 73 3.750 -4.857 -13.106 1.00 0.00 N ATOM 0 H LYS A 73 3.969 -5.211 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 73 4.843 -3.489 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.231 -4.151 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.381 -2.626 -8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.101 -5.243 -10.193 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.444 -4.675 -10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.908 -3.478 -11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.846 -2.410 -10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.484 -2.968 -12.490 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.740 -4.259 -11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.639 -5.108 -13.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.334 -5.709 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.086 -4.458 -13.800 1.00 0.00 H new ATOM 1072 N VAL A 74 5.491 -2.521 -6.644 1.00 0.00 N ATOM 1073 CA VAL A 74 5.849 -1.434 -5.741 1.00 0.00 C ATOM 1074 C VAL A 74 7.295 -0.999 -5.953 1.00 0.00 C ATOM 1075 O VAL A 74 8.222 -1.794 -5.804 1.00 0.00 O ATOM 1076 CB VAL A 74 5.656 -1.842 -4.266 1.00 0.00 C ATOM 1077 CG1 VAL A 74 5.910 -0.658 -3.345 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.261 -2.409 -4.047 1.00 0.00 C ATOM 0 H VAL A 74 6.029 -3.377 -6.509 1.00 0.00 H new ATOM 0 HA VAL A 74 5.185 -0.600 -5.968 1.00 0.00 H new ATOM 0 HB VAL A 74 6.381 -2.620 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.769 -0.966 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.931 -0.303 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.212 0.145 -3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.143 -2.691 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.517 -1.655 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.122 -3.287 -4.678 1.00 0.00 H new ATOM 1088 N ILE A 75 7.480 0.271 -6.301 1.00 0.00 N ATOM 1089 CA ILE A 75 8.812 0.813 -6.534 1.00 0.00 C ATOM 1090 C ILE A 75 9.342 1.519 -5.290 1.00 0.00 C ATOM 1091 O ILE A 75 8.729 2.461 -4.790 1.00 0.00 O ATOM 1092 CB ILE A 75 8.818 1.804 -7.714 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.125 1.188 -8.931 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.243 2.209 -8.059 1.00 0.00 C ATOM 1095 CD1 ILE A 75 7.644 2.213 -9.936 1.00 0.00 C ATOM 0 H ILE A 75 6.723 0.943 -6.428 1.00 0.00 H new ATOM 0 HA ILE A 75 9.459 -0.030 -6.775 1.00 0.00 H new ATOM 0 HB ILE A 75 8.268 2.698 -7.420 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.815 0.504 -9.424 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.275 0.595 -8.594 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.230 2.909 -8.894 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.706 2.684 -7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.816 1.324 -8.336 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.163 1.705 -10.772 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.929 2.883 -9.459 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.493 2.790 -10.302 1.00 0.00 H new ATOM 1107 N ARG A 76 10.486 1.056 -4.797 1.00 0.00 N ATOM 1108 CA ARG A 76 11.100 1.642 -3.610 1.00 0.00 C ATOM 1109 C ARG A 76 11.900 2.890 -3.974 1.00 0.00 C ATOM 1110 O ARG A 76 12.763 2.852 -4.849 1.00 0.00 O ATOM 1111 CB ARG A 76 12.005 0.619 -2.921 1.00 0.00 C ATOM 1112 CG ARG A 76 11.784 0.526 -1.419 1.00 0.00 C ATOM 1113 CD ARG A 76 13.097 0.360 -0.670 1.00 0.00 C ATOM 1114 NE ARG A 76 12.979 -0.585 0.438 1.00 0.00 N ATOM 1115 CZ ARG A 76 13.001 -1.908 0.291 1.00 0.00 C ATOM 1116 NH1 ARG A 76 13.132 -2.447 -0.915 1.00 0.00 N ATOM 1117 NH2 ARG A 76 12.888 -2.695 1.352 1.00 0.00 N ATOM 0 H ARG A 76 11.007 0.277 -5.200 1.00 0.00 H new ATOM 0 HA ARG A 76 10.305 1.931 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.836 -0.361 -3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.046 0.880 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.276 1.424 -1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.129 -0.317 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.867 0.015 -1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.421 1.328 -0.288 1.00 0.00 H new ATOM 0 HE ARG A 76 12.873 -0.209 1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.216 -1.847 -1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.148 -3.461 -1.021 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.784 -2.287 2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.905 -3.709 1.239 1.00 0.00 H new ATOM 1131 N ILE A 77 11.606 3.994 -3.293 1.00 0.00 N ATOM 1132 CA ILE A 77 12.298 5.252 -3.543 1.00 0.00 C ATOM 1133 C ILE A 77 12.989 5.760 -2.283 1.00 0.00 C ATOM 1134 O ILE A 77 13.117 6.967 -2.075 1.00 0.00 O ATOM 1135 CB ILE A 77 11.328 6.335 -4.054 1.00 0.00 C ATOM 1136 CG1 ILE A 77 10.085 6.398 -3.165 1.00 0.00 C ATOM 1137 CG2 ILE A 77 10.940 6.060 -5.499 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.564 7.803 -2.953 1.00 0.00 C ATOM 0 H ILE A 77 10.894 4.042 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 77 13.047 5.053 -4.310 1.00 0.00 H new ATOM 0 HB ILE A 77 11.831 7.301 -4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.298 5.791 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.318 5.956 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.255 6.834 -5.845 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.834 6.062 -6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.453 5.087 -5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.682 7.771 -2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.335 8.409 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.299 8.242 -3.915 1.00 0.00 H new