USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=9 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 180:sc= -0.83 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 19:sc= 0.745 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -113:sc= 0.556 USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0752) USER MOD Single : A 38 CYS SG : rot -16:sc= -2.94! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.54) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.4) USER MOD Single : A 61 CYS SG : rot 129:sc= 0.819 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.163 (180deg=-0.163) USER MOD Single : A 72 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-2.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 8 9.813 -5.766 1.484 1.00 0.00 N ATOM 69 CA LEU A 8 9.546 -4.433 2.012 1.00 0.00 C ATOM 70 C LEU A 8 9.128 -4.502 3.478 1.00 0.00 C ATOM 71 O LEU A 8 8.159 -5.175 3.827 1.00 0.00 O ATOM 72 CB LEU A 8 8.454 -3.746 1.189 1.00 0.00 C ATOM 73 CG LEU A 8 8.723 -3.682 -0.316 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.423 -3.806 -1.096 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.440 -2.390 -0.673 1.00 0.00 C ATOM 0 HA LEU A 8 10.465 -3.850 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.513 -4.270 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.323 -2.731 1.563 1.00 0.00 H new ATOM 0 HG LEU A 8 9.367 -4.519 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.634 -3.758 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.948 -4.759 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.755 -2.990 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.624 -2.361 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.821 -1.539 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.390 -2.342 -0.141 1.00 0.00 H new ATOM 87 N ARG A 9 9.868 -3.800 4.331 1.00 0.00 N ATOM 88 CA ARG A 9 9.576 -3.781 5.759 1.00 0.00 C ATOM 89 C ARG A 9 8.545 -2.707 6.091 1.00 0.00 C ATOM 90 O ARG A 9 8.368 -1.749 5.339 1.00 0.00 O ATOM 91 CB ARG A 9 10.858 -3.536 6.559 1.00 0.00 C ATOM 92 CG ARG A 9 11.850 -4.686 6.483 1.00 0.00 C ATOM 93 CD ARG A 9 13.212 -4.285 7.029 1.00 0.00 C ATOM 94 NE ARG A 9 14.179 -4.041 5.962 1.00 0.00 N ATOM 95 CZ ARG A 9 15.497 -4.026 6.146 1.00 0.00 C ATOM 96 NH1 ARG A 9 16.009 -4.240 7.352 1.00 0.00 N ATOM 97 NH2 ARG A 9 16.306 -3.797 5.121 1.00 0.00 N ATOM 0 H ARG A 9 10.674 -3.237 4.058 1.00 0.00 H new ATOM 0 HA ARG A 9 9.163 -4.752 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.338 -2.628 6.193 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.597 -3.360 7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.467 -5.536 7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.953 -5.011 5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.109 -3.386 7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.586 -5.072 7.684 1.00 0.00 H new ATOM 0 HE ARG A 9 13.823 -3.872 5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.391 -4.417 8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.020 -4.227 7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.918 -3.632 4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.316 -3.785 5.261 1.00 0.00 H new ATOM 111 N LEU A 10 7.867 -2.875 7.222 1.00 0.00 N ATOM 112 CA LEU A 10 6.852 -1.920 7.654 1.00 0.00 C ATOM 113 C LEU A 10 7.485 -0.578 8.007 1.00 0.00 C ATOM 114 O LEU A 10 8.544 -0.524 8.632 1.00 0.00 O ATOM 115 CB LEU A 10 6.086 -2.469 8.860 1.00 0.00 C ATOM 116 CG LEU A 10 5.327 -3.772 8.606 1.00 0.00 C ATOM 117 CD1 LEU A 10 4.998 -4.462 9.921 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.057 -3.502 7.813 1.00 0.00 C ATOM 0 H LEU A 10 8.002 -3.663 7.856 1.00 0.00 H new ATOM 0 HA LEU A 10 6.156 -1.768 6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.790 -2.630 9.676 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.377 -1.713 9.196 1.00 0.00 H new ATOM 0 HG LEU A 10 5.965 -4.434 8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.458 -5.387 9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.921 -4.689 10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.379 -3.805 10.532 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.529 -4.440 7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.416 -2.822 8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.315 -3.050 6.855 1.00 0.00 H new ATOM 130 N GLY A 11 6.828 0.504 7.603 1.00 0.00 N ATOM 131 CA GLY A 11 7.339 1.832 7.886 1.00 0.00 C ATOM 132 C GLY A 11 8.359 2.291 6.863 1.00 0.00 C ATOM 133 O GLY A 11 9.269 3.056 7.184 1.00 0.00 O ATOM 0 H GLY A 11 5.950 0.485 7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.510 2.539 7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.794 1.839 8.877 1.00 0.00 H new ATOM 137 N ASP A 12 8.209 1.823 5.629 1.00 0.00 N ATOM 138 CA ASP A 12 9.124 2.191 4.554 1.00 0.00 C ATOM 139 C ASP A 12 8.404 2.999 3.479 1.00 0.00 C ATOM 140 O ASP A 12 7.263 2.704 3.125 1.00 0.00 O ATOM 141 CB ASP A 12 9.746 0.937 3.935 1.00 0.00 C ATOM 142 CG ASP A 12 11.091 0.596 4.550 1.00 0.00 C ATOM 143 OD1 ASP A 12 11.111 -0.122 5.571 1.00 0.00 O ATOM 144 OD2 ASP A 12 12.122 1.046 4.009 1.00 0.00 O ATOM 0 H ASP A 12 7.462 1.188 5.348 1.00 0.00 H new ATOM 0 HA ASP A 12 9.915 2.809 4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.066 0.095 4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.867 1.086 2.862 1.00 0.00 H new ATOM 149 N ARG A 13 9.079 4.022 2.964 1.00 0.00 N ATOM 150 CA ARG A 13 8.505 4.874 1.929 1.00 0.00 C ATOM 151 C ARG A 13 8.653 4.232 0.554 1.00 0.00 C ATOM 152 O ARG A 13 9.762 3.918 0.120 1.00 0.00 O ATOM 153 CB ARG A 13 9.176 6.249 1.941 1.00 0.00 C ATOM 154 CG ARG A 13 8.440 7.277 2.786 1.00 0.00 C ATOM 155 CD ARG A 13 9.394 8.070 3.667 1.00 0.00 C ATOM 156 NE ARG A 13 9.580 9.436 3.182 1.00 0.00 N ATOM 157 CZ ARG A 13 10.409 9.767 2.195 1.00 0.00 C ATOM 158 NH1 ARG A 13 11.132 8.837 1.583 1.00 0.00 N ATOM 159 NH2 ARG A 13 10.517 11.034 1.818 1.00 0.00 N ATOM 0 H ARG A 13 10.024 4.281 3.247 1.00 0.00 H new ATOM 0 HA ARG A 13 7.443 4.996 2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.194 6.144 2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.250 6.617 0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.894 7.960 2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.702 6.773 3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.009 8.097 4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.359 7.564 3.704 1.00 0.00 H new ATOM 0 HE ARG A 13 9.042 10.180 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.054 7.861 1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.765 9.099 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.965 11.754 2.284 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.152 11.289 1.062 1.00 0.00 H new ATOM 173 N VAL A 14 7.529 4.040 -0.129 1.00 0.00 N ATOM 174 CA VAL A 14 7.535 3.436 -1.456 1.00 0.00 C ATOM 175 C VAL A 14 6.732 4.275 -2.445 1.00 0.00 C ATOM 176 O VAL A 14 6.066 5.235 -2.063 1.00 0.00 O ATOM 177 CB VAL A 14 6.956 2.009 -1.424 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.864 1.081 -0.631 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.551 2.015 -0.844 1.00 0.00 C ATOM 0 H VAL A 14 6.603 4.294 0.215 1.00 0.00 H new ATOM 0 HA VAL A 14 8.575 3.393 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 14 6.900 1.637 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.438 0.078 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.850 1.052 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.956 1.448 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.159 0.998 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.579 2.408 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.906 2.644 -1.458 1.00 0.00 H new ATOM 189 N LEU A 15 6.801 3.902 -3.719 1.00 0.00 N ATOM 190 CA LEU A 15 6.082 4.618 -4.766 1.00 0.00 C ATOM 191 C LEU A 15 5.084 3.700 -5.465 1.00 0.00 C ATOM 192 O LEU A 15 5.449 2.636 -5.963 1.00 0.00 O ATOM 193 CB LEU A 15 7.064 5.194 -5.787 1.00 0.00 C ATOM 194 CG LEU A 15 6.575 6.441 -6.524 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.190 7.530 -5.534 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.643 6.944 -7.485 1.00 0.00 C ATOM 0 H LEU A 15 7.348 3.108 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 15 5.532 5.436 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.996 5.435 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.294 4.423 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 15 5.690 6.175 -7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.844 8.410 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.392 7.167 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.057 7.795 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.279 7.832 -8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.546 7.193 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.870 6.167 -8.215 1.00 0.00 H new ATOM 208 N VAL A 16 3.823 4.119 -5.496 1.00 0.00 N ATOM 209 CA VAL A 16 2.773 3.334 -6.133 1.00 0.00 C ATOM 210 C VAL A 16 2.402 3.913 -7.494 1.00 0.00 C ATOM 211 O VAL A 16 1.701 4.920 -7.581 1.00 0.00 O ATOM 212 CB VAL A 16 1.510 3.266 -5.254 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.505 2.286 -5.838 1.00 0.00 C ATOM 214 CG2 VAL A 16 1.871 2.885 -3.828 1.00 0.00 C ATOM 0 H VAL A 16 3.504 4.997 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 16 3.168 2.327 -6.266 1.00 0.00 H new ATOM 0 HB VAL A 16 1.050 4.254 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.381 2.251 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.221 2.609 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.953 1.294 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.966 2.842 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.357 1.909 -3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.550 3.630 -3.413 1.00 0.00 H new ATOM 224 N GLY A 17 2.878 3.268 -8.554 1.00 0.00 N ATOM 225 CA GLY A 17 2.585 3.733 -9.898 1.00 0.00 C ATOM 226 C GLY A 17 3.688 4.607 -10.462 1.00 0.00 C ATOM 227 O GLY A 17 3.869 4.682 -11.678 1.00 0.00 O ATOM 0 H GLY A 17 3.461 2.432 -8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.436 2.874 -10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.650 4.293 -9.890 1.00 0.00 H new ATOM 231 N GLY A 18 4.426 5.270 -9.578 1.00 0.00 N ATOM 232 CA GLY A 18 5.507 6.136 -10.013 1.00 0.00 C ATOM 233 C GLY A 18 5.230 7.599 -9.731 1.00 0.00 C ATOM 234 O GLY A 18 5.750 8.479 -10.415 1.00 0.00 O ATOM 0 H GLY A 18 4.295 5.223 -8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.428 5.841 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.669 6.000 -11.082 1.00 0.00 H new ATOM 238 N THR A 19 4.405 7.859 -8.721 1.00 0.00 N ATOM 239 CA THR A 19 4.059 9.227 -8.350 1.00 0.00 C ATOM 240 C THR A 19 3.471 9.276 -6.943 1.00 0.00 C ATOM 241 O THR A 19 3.834 10.133 -6.137 1.00 0.00 O ATOM 242 CB THR A 19 3.063 9.815 -9.352 1.00 0.00 C ATOM 243 OG1 THR A 19 3.105 9.105 -10.577 1.00 0.00 O ATOM 244 CG2 THR A 19 3.316 11.275 -9.660 1.00 0.00 C ATOM 0 H THR A 19 3.964 7.141 -8.146 1.00 0.00 H new ATOM 0 HA THR A 19 4.972 9.822 -8.365 1.00 0.00 H new ATOM 0 HB THR A 19 2.087 9.724 -8.876 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.460 9.495 -11.203 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.575 11.629 -10.376 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.242 11.859 -8.742 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.314 11.390 -10.083 1.00 0.00 H new ATOM 252 N LYS A 20 2.561 8.350 -6.655 1.00 0.00 N ATOM 253 CA LYS A 20 1.922 8.288 -5.346 1.00 0.00 C ATOM 254 C LYS A 20 2.924 7.884 -4.270 1.00 0.00 C ATOM 255 O LYS A 20 3.241 6.705 -4.113 1.00 0.00 O ATOM 256 CB LYS A 20 0.758 7.295 -5.372 1.00 0.00 C ATOM 257 CG LYS A 20 -0.526 7.878 -5.941 1.00 0.00 C ATOM 258 CD LYS A 20 -0.695 7.524 -7.409 1.00 0.00 C ATOM 259 CE LYS A 20 -1.410 8.629 -8.171 1.00 0.00 C ATOM 260 NZ LYS A 20 -2.854 8.704 -7.815 1.00 0.00 N ATOM 0 H LYS A 20 2.250 7.633 -7.311 1.00 0.00 H new ATOM 0 HA LYS A 20 1.541 9.281 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.046 6.426 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.569 6.942 -4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.379 7.504 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.517 8.962 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.283 7.346 -7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.259 6.596 -7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.933 9.585 -7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.309 8.456 -9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.306 9.469 -8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.315 7.800 -8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.951 8.895 -6.797 1.00 0.00 H new ATOM 274 N THR A 21 3.421 8.871 -3.531 1.00 0.00 N ATOM 275 CA THR A 21 4.388 8.619 -2.469 1.00 0.00 C ATOM 276 C THR A 21 3.682 8.308 -1.153 1.00 0.00 C ATOM 277 O THR A 21 2.937 9.133 -0.627 1.00 0.00 O ATOM 278 CB THR A 21 5.309 9.826 -2.294 1.00 0.00 C ATOM 279 OG1 THR A 21 4.609 10.913 -1.716 1.00 0.00 O ATOM 280 CG2 THR A 21 5.916 10.311 -3.593 1.00 0.00 C ATOM 0 H THR A 21 3.170 9.853 -3.648 1.00 0.00 H new ATOM 0 HA THR A 21 4.985 7.753 -2.753 1.00 0.00 H new ATOM 0 HB THR A 21 6.112 9.482 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.799 10.583 -1.274 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.558 11.169 -3.396 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.506 9.511 -4.040 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.121 10.603 -4.280 1.00 0.00 H new ATOM 288 N GLY A 22 3.923 7.111 -0.628 1.00 0.00 N ATOM 289 CA GLY A 22 3.304 6.712 0.622 1.00 0.00 C ATOM 290 C GLY A 22 4.115 5.667 1.364 1.00 0.00 C ATOM 291 O GLY A 22 4.955 4.989 0.773 1.00 0.00 O ATOM 0 H GLY A 22 4.536 6.411 -1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.178 7.589 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.308 6.319 0.421 1.00 0.00 H new ATOM 295 N VAL A 23 3.863 5.538 2.663 1.00 0.00 N ATOM 296 CA VAL A 23 4.576 4.571 3.487 1.00 0.00 C ATOM 297 C VAL A 23 3.854 3.227 3.506 1.00 0.00 C ATOM 298 O VAL A 23 2.626 3.170 3.433 1.00 0.00 O ATOM 299 CB VAL A 23 4.737 5.073 4.934 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.632 4.137 5.730 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.289 6.491 4.950 1.00 0.00 C ATOM 0 H VAL A 23 3.170 6.092 3.167 1.00 0.00 H new ATOM 0 HA VAL A 23 5.563 4.446 3.042 1.00 0.00 H new ATOM 0 HB VAL A 23 3.754 5.084 5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.733 4.510 6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.190 3.141 5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.615 4.089 5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.396 6.828 5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.263 6.508 4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.605 7.154 4.420 1.00 0.00 H new ATOM 311 N VAL A 24 4.624 2.149 3.605 1.00 0.00 N ATOM 312 CA VAL A 24 4.058 0.806 3.634 1.00 0.00 C ATOM 313 C VAL A 24 3.429 0.505 4.991 1.00 0.00 C ATOM 314 O VAL A 24 4.068 0.661 6.031 1.00 0.00 O ATOM 315 CB VAL A 24 5.125 -0.263 3.328 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.487 -1.636 3.197 1.00 0.00 C ATOM 317 CG2 VAL A 24 5.895 0.098 2.066 1.00 0.00 C ATOM 0 H VAL A 24 5.642 2.179 3.667 1.00 0.00 H new ATOM 0 HA VAL A 24 3.289 0.771 2.862 1.00 0.00 H new ATOM 0 HB VAL A 24 5.829 -0.295 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.257 -2.376 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.986 -1.895 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.759 -1.623 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.644 -0.668 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.205 0.160 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.388 1.060 2.203 1.00 0.00 H new ATOM 327 N ARG A 25 2.171 0.074 4.972 1.00 0.00 N ATOM 328 CA ARG A 25 1.455 -0.248 6.201 1.00 0.00 C ATOM 329 C ARG A 25 1.235 -1.753 6.326 1.00 0.00 C ATOM 330 O ARG A 25 1.154 -2.287 7.433 1.00 0.00 O ATOM 331 CB ARG A 25 0.111 0.481 6.238 1.00 0.00 C ATOM 332 CG ARG A 25 0.166 1.824 6.948 1.00 0.00 C ATOM 333 CD ARG A 25 0.155 1.655 8.458 1.00 0.00 C ATOM 334 NE ARG A 25 0.035 2.936 9.151 1.00 0.00 N ATOM 335 CZ ARG A 25 -0.301 3.057 10.433 1.00 0.00 C ATOM 336 NH1 ARG A 25 -0.551 1.978 11.166 1.00 0.00 N ATOM 337 NH2 ARG A 25 -0.387 4.259 10.985 1.00 0.00 N ATOM 0 H ARG A 25 1.627 -0.060 4.119 1.00 0.00 H new ATOM 0 HA ARG A 25 2.063 0.082 7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.238 0.633 5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.623 -0.153 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.066 2.359 6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.684 2.434 6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.675 1.009 8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.071 1.156 8.774 1.00 0.00 H new ATOM 0 HE ARG A 25 0.220 3.788 8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.486 1.050 10.747 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.808 2.077 12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.196 5.091 10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.645 4.352 11.968 1.00 0.00 H new ATOM 351 N TYR A 26 1.140 -2.430 5.187 1.00 0.00 N ATOM 352 CA TYR A 26 0.929 -3.873 5.172 1.00 0.00 C ATOM 353 C TYR A 26 1.816 -4.541 4.125 1.00 0.00 C ATOM 354 O TYR A 26 2.010 -4.009 3.032 1.00 0.00 O ATOM 355 CB TYR A 26 -0.539 -4.191 4.891 1.00 0.00 C ATOM 356 CG TYR A 26 -0.906 -5.638 5.142 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.751 -6.205 6.401 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.405 -6.434 4.120 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.083 -7.526 6.634 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.740 -7.756 4.345 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.578 -8.296 5.602 1.00 0.00 C ATOM 362 OH TYR A 26 -1.910 -9.612 5.831 1.00 0.00 O ATOM 0 H TYR A 26 1.206 -2.003 4.263 1.00 0.00 H new ATOM 0 HA TYR A 26 1.197 -4.265 6.153 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.166 -3.553 5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.763 -3.943 3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.365 -5.604 7.211 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.533 -6.014 3.133 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.956 -7.953 7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.127 -8.363 3.539 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.244 -10.014 5.002 1.00 0.00 H new ATOM 372 N VAL A 27 2.352 -5.707 4.467 1.00 0.00 N ATOM 373 CA VAL A 27 3.218 -6.447 3.558 1.00 0.00 C ATOM 374 C VAL A 27 2.948 -7.946 3.639 1.00 0.00 C ATOM 375 O VAL A 27 3.198 -8.577 4.666 1.00 0.00 O ATOM 376 CB VAL A 27 4.705 -6.186 3.863 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.589 -6.826 2.803 1.00 0.00 C ATOM 378 CG2 VAL A 27 4.974 -4.691 3.962 1.00 0.00 C ATOM 0 H VAL A 27 2.202 -6.160 5.368 1.00 0.00 H new ATOM 0 HA VAL A 27 2.994 -6.095 2.551 1.00 0.00 H new ATOM 0 HB VAL A 27 4.946 -6.640 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.636 -6.631 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.416 -7.902 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.350 -6.404 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.029 -4.525 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.717 -4.212 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.368 -4.265 4.762 1.00 0.00 H new ATOM 388 N GLY A 28 2.435 -8.509 2.550 1.00 0.00 N ATOM 389 CA GLY A 28 2.139 -9.930 2.519 1.00 0.00 C ATOM 390 C GLY A 28 1.171 -10.295 1.411 1.00 0.00 C ATOM 391 O GLY A 28 0.942 -9.508 0.493 1.00 0.00 O ATOM 0 H GLY A 28 2.219 -8.007 1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.066 -10.488 2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.719 -10.232 3.479 1.00 0.00 H new ATOM 395 N GLU A 29 0.602 -11.494 1.496 1.00 0.00 N ATOM 396 CA GLU A 29 -0.346 -11.963 0.492 1.00 0.00 C ATOM 397 C GLU A 29 -1.773 -11.577 0.870 1.00 0.00 C ATOM 398 O GLU A 29 -2.003 -10.934 1.893 1.00 0.00 O ATOM 399 CB GLU A 29 -0.242 -13.480 0.332 1.00 0.00 C ATOM 400 CG GLU A 29 1.077 -13.939 -0.267 1.00 0.00 C ATOM 401 CD GLU A 29 1.318 -15.424 -0.078 1.00 0.00 C ATOM 402 OE1 GLU A 29 1.326 -15.880 1.085 1.00 0.00 O ATOM 403 OE2 GLU A 29 1.498 -16.130 -1.092 1.00 0.00 O ATOM 0 H GLU A 29 0.781 -12.158 2.250 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.098 -11.487 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.372 -13.950 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.059 -13.827 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.089 -13.705 -1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.894 -13.381 0.191 1.00 0.00 H new ATOM 410 N THR A 30 -2.728 -11.976 0.035 1.00 0.00 N ATOM 411 CA THR A 30 -4.132 -11.673 0.280 1.00 0.00 C ATOM 412 C THR A 30 -5.017 -12.857 -0.092 1.00 0.00 C ATOM 413 O THR A 30 -4.540 -13.857 -0.628 1.00 0.00 O ATOM 414 CB THR A 30 -4.556 -10.436 -0.513 1.00 0.00 C ATOM 415 OG1 THR A 30 -4.548 -10.706 -1.904 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.664 -9.236 -0.274 1.00 0.00 C ATOM 0 H THR A 30 -2.554 -12.510 -0.817 1.00 0.00 H new ATOM 0 HA THR A 30 -4.253 -11.472 1.344 1.00 0.00 H new ATOM 0 HB THR A 30 -5.560 -10.198 -0.162 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.844 -10.178 -2.336 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.021 -8.394 -0.867 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.686 -8.971 0.783 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.642 -9.478 -0.566 1.00 0.00 H new ATOM 424 N ASP A 31 -6.310 -12.738 0.195 1.00 0.00 N ATOM 425 CA ASP A 31 -7.262 -13.800 -0.111 1.00 0.00 C ATOM 426 C ASP A 31 -8.199 -13.381 -1.239 1.00 0.00 C ATOM 427 O ASP A 31 -8.636 -14.211 -2.036 1.00 0.00 O ATOM 428 CB ASP A 31 -8.073 -14.159 1.134 1.00 0.00 C ATOM 429 CG ASP A 31 -7.436 -15.276 1.937 1.00 0.00 C ATOM 430 OD1 ASP A 31 -6.312 -15.077 2.443 1.00 0.00 O ATOM 431 OD2 ASP A 31 -8.061 -16.350 2.061 1.00 0.00 O ATOM 0 H ASP A 31 -6.722 -11.917 0.639 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.700 -14.676 -0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.176 -13.276 1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.078 -14.457 0.836 1.00 0.00 H new ATOM 436 N PHE A 32 -8.502 -12.089 -1.301 1.00 0.00 N ATOM 437 CA PHE A 32 -9.388 -11.561 -2.333 1.00 0.00 C ATOM 438 C PHE A 32 -8.692 -11.545 -3.690 1.00 0.00 C ATOM 439 O PHE A 32 -9.288 -11.895 -4.709 1.00 0.00 O ATOM 440 CB PHE A 32 -9.847 -10.149 -1.966 1.00 0.00 C ATOM 441 CG PHE A 32 -8.715 -9.205 -1.678 1.00 0.00 C ATOM 442 CD1 PHE A 32 -8.081 -8.528 -2.709 1.00 0.00 C ATOM 443 CD2 PHE A 32 -8.284 -8.995 -0.378 1.00 0.00 C ATOM 444 CE1 PHE A 32 -7.039 -7.659 -2.447 1.00 0.00 C ATOM 445 CE2 PHE A 32 -7.241 -8.128 -0.111 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.619 -7.458 -1.147 1.00 0.00 C ATOM 0 H PHE A 32 -8.148 -11.388 -0.650 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.259 -12.213 -2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.446 -9.747 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.496 -10.203 -1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.405 -8.682 -3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.768 -9.514 0.436 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.553 -7.137 -3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.913 -7.974 0.906 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.806 -6.778 -0.940 1.00 0.00 H new ATOM 456 N ALA A 33 -7.427 -11.137 -3.696 1.00 0.00 N ATOM 457 CA ALA A 33 -6.649 -11.075 -4.928 1.00 0.00 C ATOM 458 C ALA A 33 -5.576 -12.157 -4.954 1.00 0.00 C ATOM 459 O ALA A 33 -5.197 -12.696 -3.914 1.00 0.00 O ATOM 460 CB ALA A 33 -6.017 -9.700 -5.084 1.00 0.00 C ATOM 0 H ALA A 33 -6.919 -10.844 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.325 -11.250 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.439 -9.668 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.799 -8.942 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.359 -9.504 -4.237 1.00 0.00 H new ATOM 466 N LYS A 34 -5.090 -12.472 -6.151 1.00 0.00 N ATOM 467 CA LYS A 34 -4.061 -13.492 -6.313 1.00 0.00 C ATOM 468 C LYS A 34 -2.674 -12.860 -6.367 1.00 0.00 C ATOM 469 O LYS A 34 -2.463 -11.856 -7.050 1.00 0.00 O ATOM 470 CB LYS A 34 -4.313 -14.304 -7.584 1.00 0.00 C ATOM 471 CG LYS A 34 -5.602 -15.109 -7.545 1.00 0.00 C ATOM 472 CD LYS A 34 -5.594 -16.222 -8.581 1.00 0.00 C ATOM 473 CE LYS A 34 -4.701 -17.375 -8.153 1.00 0.00 C ATOM 474 NZ LYS A 34 -5.314 -18.177 -7.058 1.00 0.00 N ATOM 0 H LYS A 34 -5.392 -12.036 -7.022 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.105 -14.157 -5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.343 -13.627 -8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.475 -14.983 -7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.736 -15.536 -6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.450 -14.449 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.610 -16.585 -8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.249 -15.828 -9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.506 -18.020 -9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.739 -16.985 -7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.780 -19.061 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.291 -17.631 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.300 -18.400 -7.301 1.00 0.00 H new ATOM 488 N GLY A 35 -1.729 -13.453 -5.643 1.00 0.00 N ATOM 489 CA GLY A 35 -0.374 -12.934 -5.623 1.00 0.00 C ATOM 490 C GLY A 35 -0.062 -12.178 -4.347 1.00 0.00 C ATOM 491 O GLY A 35 -0.890 -12.109 -3.439 1.00 0.00 O ATOM 0 H GLY A 35 -1.878 -14.284 -5.070 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.330 -13.759 -5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.228 -12.274 -6.478 1.00 0.00 H new ATOM 495 N GLU A 36 1.137 -11.609 -4.277 1.00 0.00 N ATOM 496 CA GLU A 36 1.559 -10.854 -3.103 1.00 0.00 C ATOM 497 C GLU A 36 1.267 -9.367 -3.279 1.00 0.00 C ATOM 498 O GLU A 36 1.650 -8.763 -4.281 1.00 0.00 O ATOM 499 CB GLU A 36 3.051 -11.067 -2.843 1.00 0.00 C ATOM 500 CG GLU A 36 3.395 -11.234 -1.372 1.00 0.00 C ATOM 501 CD GLU A 36 4.889 -11.317 -1.128 1.00 0.00 C ATOM 502 OE1 GLU A 36 5.459 -12.415 -1.301 1.00 0.00 O ATOM 503 OE2 GLU A 36 5.489 -10.284 -0.764 1.00 0.00 O ATOM 0 H GLU A 36 1.834 -11.657 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 36 0.993 -11.217 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.384 -11.951 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.606 -10.218 -3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.985 -10.395 -0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.918 -12.137 -0.991 1.00 0.00 H new ATOM 510 N TRP A 37 0.586 -8.782 -2.299 1.00 0.00 N ATOM 511 CA TRP A 37 0.244 -7.365 -2.345 1.00 0.00 C ATOM 512 C TRP A 37 0.936 -6.600 -1.222 1.00 0.00 C ATOM 513 O TRP A 37 1.469 -7.198 -0.287 1.00 0.00 O ATOM 514 CB TRP A 37 -1.272 -7.183 -2.243 1.00 0.00 C ATOM 515 CG TRP A 37 -2.020 -7.773 -3.400 1.00 0.00 C ATOM 516 CD1 TRP A 37 -2.216 -9.099 -3.657 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.669 -7.057 -4.457 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.948 -9.252 -4.810 1.00 0.00 N ATOM 519 CE2 TRP A 37 -3.239 -8.013 -5.318 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.826 -5.701 -4.756 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.952 -7.655 -6.460 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.533 -5.347 -5.890 1.00 0.00 C ATOM 523 CH2 TRP A 37 -4.090 -6.320 -6.729 1.00 0.00 C ATOM 0 H TRP A 37 0.260 -9.267 -1.463 1.00 0.00 H new ATOM 0 HA TRP A 37 0.589 -6.964 -3.298 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.625 -7.642 -1.319 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.499 -6.119 -2.177 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.850 -9.909 -3.044 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.229 -10.142 -5.221 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.403 -4.943 -4.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.380 -8.404 -7.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.658 -4.302 -6.133 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.639 -6.011 -7.606 1.00 0.00 H new ATOM 534 N CYS A 38 0.923 -5.275 -1.319 1.00 0.00 N ATOM 535 CA CYS A 38 1.551 -4.428 -0.312 1.00 0.00 C ATOM 536 C CYS A 38 0.792 -3.114 -0.155 1.00 0.00 C ATOM 537 O CYS A 38 0.701 -2.323 -1.095 1.00 0.00 O ATOM 538 CB CYS A 38 3.008 -4.149 -0.685 1.00 0.00 C ATOM 539 SG CYS A 38 4.142 -4.140 0.724 1.00 0.00 S ATOM 0 H CYS A 38 0.484 -4.764 -2.085 1.00 0.00 H new ATOM 0 HA CYS A 38 1.523 -4.958 0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.340 -4.902 -1.400 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.064 -3.184 -1.189 1.00 0.00 H new ATOM 0 HG CYS A 38 3.462 -4.042 1.828 1.00 0.00 H new ATOM 545 N GLY A 39 0.252 -2.887 1.037 1.00 0.00 N ATOM 546 CA GLY A 39 -0.491 -1.667 1.295 1.00 0.00 C ATOM 547 C GLY A 39 0.415 -0.468 1.496 1.00 0.00 C ATOM 548 O GLY A 39 1.480 -0.582 2.102 1.00 0.00 O ATOM 0 H GLY A 39 0.315 -3.526 1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.166 -1.473 0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.111 -1.803 2.181 1.00 0.00 H new ATOM 552 N VAL A 40 -0.009 0.684 0.985 1.00 0.00 N ATOM 553 CA VAL A 40 0.771 1.908 1.111 1.00 0.00 C ATOM 554 C VAL A 40 -0.121 3.094 1.463 1.00 0.00 C ATOM 555 O VAL A 40 -1.008 3.466 0.695 1.00 0.00 O ATOM 556 CB VAL A 40 1.536 2.224 -0.188 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.493 3.386 0.023 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.279 0.993 -0.682 1.00 0.00 C ATOM 0 H VAL A 40 -0.888 0.794 0.480 1.00 0.00 H new ATOM 0 HA VAL A 40 1.488 1.744 1.915 1.00 0.00 H new ATOM 0 HB VAL A 40 0.814 2.515 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.024 3.594 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.931 4.270 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.211 3.129 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.814 1.235 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.990 0.668 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.566 0.192 -0.877 1.00 0.00 H new ATOM 568 N GLU A 41 0.120 3.685 2.629 1.00 0.00 N ATOM 569 CA GLU A 41 -0.662 4.828 3.083 1.00 0.00 C ATOM 570 C GLU A 41 -0.112 6.128 2.505 1.00 0.00 C ATOM 571 O GLU A 41 0.998 6.545 2.837 1.00 0.00 O ATOM 572 CB GLU A 41 -0.665 4.898 4.612 1.00 0.00 C ATOM 573 CG GLU A 41 -1.520 6.024 5.168 1.00 0.00 C ATOM 574 CD GLU A 41 -0.691 7.199 5.654 1.00 0.00 C ATOM 575 OE1 GLU A 41 -0.089 7.891 4.807 1.00 0.00 O ATOM 576 OE2 GLU A 41 -0.646 7.426 6.882 1.00 0.00 O ATOM 0 H GLU A 41 0.851 3.391 3.276 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.685 4.698 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.025 3.949 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.359 5.023 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.211 6.365 4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.124 5.644 5.992 1.00 0.00 H new ATOM 583 N LEU A 42 -0.894 6.764 1.640 1.00 0.00 N ATOM 584 CA LEU A 42 -0.485 8.016 1.015 1.00 0.00 C ATOM 585 C LEU A 42 -0.622 9.180 1.991 1.00 0.00 C ATOM 586 O LEU A 42 -1.323 9.080 2.998 1.00 0.00 O ATOM 587 CB LEU A 42 -1.321 8.284 -0.237 1.00 0.00 C ATOM 588 CG LEU A 42 -1.023 7.365 -1.423 1.00 0.00 C ATOM 589 CD1 LEU A 42 -2.073 7.539 -2.510 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.367 7.642 -1.975 1.00 0.00 C ATOM 0 H LEU A 42 -1.816 6.433 1.355 1.00 0.00 H new ATOM 0 HA LEU A 42 0.563 7.925 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.376 8.188 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.161 9.316 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.056 6.332 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.845 6.877 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.056 7.292 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.072 8.573 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.562 6.979 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.427 8.679 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.109 7.467 -1.196 1.00 0.00 H new ATOM 602 N ASP A 43 0.054 10.284 1.687 1.00 0.00 N ATOM 603 CA ASP A 43 0.008 11.467 2.538 1.00 0.00 C ATOM 604 C ASP A 43 -1.131 12.393 2.122 1.00 0.00 C ATOM 605 O ASP A 43 -1.722 13.078 2.956 1.00 0.00 O ATOM 606 CB ASP A 43 1.340 12.217 2.476 1.00 0.00 C ATOM 607 CG ASP A 43 2.437 11.511 3.249 1.00 0.00 C ATOM 608 OD1 ASP A 43 2.526 11.720 4.477 1.00 0.00 O ATOM 609 OD2 ASP A 43 3.207 10.751 2.625 1.00 0.00 O ATOM 0 H ASP A 43 0.640 10.383 0.858 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.170 11.141 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.645 12.325 1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.207 13.222 2.876 1.00 0.00 H new ATOM 614 N GLU A 44 -1.431 12.409 0.827 1.00 0.00 N ATOM 615 CA GLU A 44 -2.499 13.252 0.302 1.00 0.00 C ATOM 616 C GLU A 44 -3.714 12.412 -0.088 1.00 0.00 C ATOM 617 O GLU A 44 -3.570 11.292 -0.579 1.00 0.00 O ATOM 618 CB GLU A 44 -2.002 14.045 -0.908 1.00 0.00 C ATOM 619 CG GLU A 44 -0.684 14.762 -0.667 1.00 0.00 C ATOM 620 CD GLU A 44 0.092 15.001 -1.947 1.00 0.00 C ATOM 621 OE1 GLU A 44 -0.491 15.562 -2.899 1.00 0.00 O ATOM 622 OE2 GLU A 44 1.283 14.626 -1.999 1.00 0.00 O ATOM 0 H GLU A 44 -0.950 11.849 0.123 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.798 13.948 1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.888 13.367 -1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.759 14.778 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.878 15.718 -0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.074 14.173 0.019 1.00 0.00 H new ATOM 629 N PRO A 45 -4.931 12.943 0.124 1.00 0.00 N ATOM 630 CA PRO A 45 -6.171 12.232 -0.212 1.00 0.00 C ATOM 631 C PRO A 45 -6.198 11.773 -1.666 1.00 0.00 C ATOM 632 O PRO A 45 -6.617 12.516 -2.554 1.00 0.00 O ATOM 633 CB PRO A 45 -7.263 13.274 0.039 1.00 0.00 C ATOM 634 CG PRO A 45 -6.667 14.226 1.017 1.00 0.00 C ATOM 635 CD PRO A 45 -5.198 14.272 0.704 1.00 0.00 C ATOM 0 HA PRO A 45 -6.290 11.323 0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.545 13.781 -0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.166 12.812 0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.117 15.214 0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.838 13.893 2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.961 15.072 0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.602 14.447 1.599 1.00 0.00 H new ATOM 643 N LEU A 46 -5.751 10.544 -1.902 1.00 0.00 N ATOM 644 CA LEU A 46 -5.726 9.987 -3.249 1.00 0.00 C ATOM 645 C LEU A 46 -5.856 8.467 -3.212 1.00 0.00 C ATOM 646 O LEU A 46 -5.319 7.767 -4.070 1.00 0.00 O ATOM 647 CB LEU A 46 -4.432 10.382 -3.964 1.00 0.00 C ATOM 648 CG LEU A 46 -4.290 11.874 -4.268 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.872 12.194 -4.715 1.00 0.00 C ATOM 650 CD2 LEU A 46 -5.294 12.299 -5.328 1.00 0.00 C ATOM 0 H LEU A 46 -5.402 9.916 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.575 10.394 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.586 10.070 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.369 9.828 -4.901 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.496 12.433 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.789 13.260 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.172 11.926 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.637 11.626 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.179 13.364 -5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.119 11.733 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.305 12.105 -4.970 1.00 0.00 H new ATOM 662 N GLY A 47 -6.573 7.964 -2.212 1.00 0.00 N ATOM 663 CA GLY A 47 -6.761 6.531 -2.081 1.00 0.00 C ATOM 664 C GLY A 47 -8.196 6.110 -2.326 1.00 0.00 C ATOM 665 O GLY A 47 -9.106 6.939 -2.306 1.00 0.00 O ATOM 0 H GLY A 47 -7.027 8.523 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.109 6.016 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.459 6.218 -1.081 1.00 0.00 H new ATOM 669 N LYS A 48 -8.401 4.817 -2.557 1.00 0.00 N ATOM 670 CA LYS A 48 -9.736 4.287 -2.806 1.00 0.00 C ATOM 671 C LYS A 48 -10.229 3.468 -1.617 1.00 0.00 C ATOM 672 O LYS A 48 -11.432 3.377 -1.370 1.00 0.00 O ATOM 673 CB LYS A 48 -9.736 3.423 -4.069 1.00 0.00 C ATOM 674 CG LYS A 48 -8.845 2.197 -3.968 1.00 0.00 C ATOM 675 CD LYS A 48 -9.305 1.095 -4.909 1.00 0.00 C ATOM 676 CE LYS A 48 -8.126 0.378 -5.546 1.00 0.00 C ATOM 677 NZ LYS A 48 -8.548 -0.478 -6.690 1.00 0.00 N ATOM 0 H LYS A 48 -7.659 4.117 -2.577 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.413 5.130 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.756 3.104 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.410 4.030 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.817 2.473 -4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.849 1.827 -2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.915 0.378 -4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.937 1.521 -5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.398 1.112 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.627 -0.237 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.715 -0.949 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.223 -1.195 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.001 0.112 -7.417 1.00 0.00 H new ATOM 691 N ASN A 49 -9.293 2.874 -0.882 1.00 0.00 N ATOM 692 CA ASN A 49 -9.635 2.064 0.282 1.00 0.00 C ATOM 693 C ASN A 49 -8.994 2.629 1.545 1.00 0.00 C ATOM 694 O ASN A 49 -8.369 3.690 1.515 1.00 0.00 O ATOM 695 CB ASN A 49 -9.186 0.617 0.071 1.00 0.00 C ATOM 696 CG ASN A 49 -9.756 0.014 -1.197 1.00 0.00 C ATOM 697 OD1 ASN A 49 -10.972 -0.046 -1.379 1.00 0.00 O ATOM 698 ND2 ASN A 49 -8.876 -0.439 -2.085 1.00 0.00 N ATOM 0 H ASN A 49 -8.293 2.939 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.718 2.087 0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.097 0.580 0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.494 0.016 0.926 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.200 -0.856 -2.957 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.877 -0.369 -1.894 1.00 0.00 H new ATOM 705 N ASP A 50 -9.153 1.914 2.654 1.00 0.00 N ATOM 706 CA ASP A 50 -8.590 2.345 3.928 1.00 0.00 C ATOM 707 C ASP A 50 -7.920 1.178 4.648 1.00 0.00 C ATOM 708 O ASP A 50 -8.013 1.054 5.869 1.00 0.00 O ATOM 709 CB ASP A 50 -9.681 2.950 4.813 1.00 0.00 C ATOM 710 CG ASP A 50 -10.778 1.955 5.139 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.997 1.027 4.332 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.418 2.104 6.202 1.00 0.00 O ATOM 0 H ASP A 50 -9.667 1.034 2.696 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.835 3.105 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.235 3.311 5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.115 3.814 4.310 1.00 0.00 H new ATOM 717 N GLY A 51 -7.247 0.326 3.882 1.00 0.00 N ATOM 718 CA GLY A 51 -6.572 -0.819 4.464 1.00 0.00 C ATOM 719 C GLY A 51 -7.543 -1.873 4.960 1.00 0.00 C ATOM 720 O GLY A 51 -7.237 -2.620 5.889 1.00 0.00 O ATOM 0 H GLY A 51 -7.157 0.408 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.908 -1.262 3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.947 -0.486 5.293 1.00 0.00 H new ATOM 724 N ALA A 52 -8.717 -1.933 4.340 1.00 0.00 N ATOM 725 CA ALA A 52 -9.736 -2.903 4.723 1.00 0.00 C ATOM 726 C ALA A 52 -10.405 -3.510 3.495 1.00 0.00 C ATOM 727 O ALA A 52 -11.201 -2.856 2.822 1.00 0.00 O ATOM 728 CB ALA A 52 -10.774 -2.248 5.623 1.00 0.00 C ATOM 0 H ALA A 52 -8.986 -1.321 3.570 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.249 -3.708 5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.529 -2.983 5.902 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.288 -1.868 6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.249 -1.424 5.091 1.00 0.00 H new ATOM 734 N VAL A 53 -10.075 -4.765 3.209 1.00 0.00 N ATOM 735 CA VAL A 53 -10.644 -5.461 2.060 1.00 0.00 C ATOM 736 C VAL A 53 -11.627 -6.539 2.502 1.00 0.00 C ATOM 737 O VAL A 53 -11.341 -7.322 3.409 1.00 0.00 O ATOM 738 CB VAL A 53 -9.546 -6.107 1.195 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.135 -6.652 -0.097 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.436 -5.108 0.904 1.00 0.00 C ATOM 0 H VAL A 53 -9.417 -5.321 3.756 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.171 -4.714 1.467 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.116 -6.940 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.344 -7.105 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.889 -7.404 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.594 -5.839 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.670 -5.584 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.848 -4.252 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.994 -4.772 1.842 1.00 0.00 H new ATOM 750 N ALA A 54 -12.787 -6.575 1.855 1.00 0.00 N ATOM 751 CA ALA A 54 -13.815 -7.557 2.179 1.00 0.00 C ATOM 752 C ALA A 54 -14.254 -7.436 3.636 1.00 0.00 C ATOM 753 O ALA A 54 -14.739 -8.401 4.228 1.00 0.00 O ATOM 754 CB ALA A 54 -13.307 -8.962 1.895 1.00 0.00 C ATOM 0 H ALA A 54 -13.039 -5.935 1.102 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.682 -7.359 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.084 -9.686 2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.050 -9.050 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.423 -9.159 2.501 1.00 0.00 H new ATOM 760 N GLY A 55 -14.086 -6.248 4.209 1.00 0.00 N ATOM 761 CA GLY A 55 -14.474 -6.029 5.589 1.00 0.00 C ATOM 762 C GLY A 55 -13.317 -6.203 6.554 1.00 0.00 C ATOM 763 O GLY A 55 -13.277 -5.567 7.607 1.00 0.00 O ATOM 0 H GLY A 55 -13.688 -5.434 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.881 -5.023 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.271 -6.724 5.853 1.00 0.00 H new ATOM 767 N THR A 56 -12.373 -7.067 6.195 1.00 0.00 N ATOM 768 CA THR A 56 -11.211 -7.322 7.039 1.00 0.00 C ATOM 769 C THR A 56 -10.222 -6.162 6.969 1.00 0.00 C ATOM 770 O THR A 56 -9.765 -5.788 5.889 1.00 0.00 O ATOM 771 CB THR A 56 -10.522 -8.620 6.616 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.475 -9.644 6.393 1.00 0.00 O ATOM 773 CG2 THR A 56 -9.530 -9.132 7.637 1.00 0.00 C ATOM 0 H THR A 56 -12.390 -7.602 5.327 1.00 0.00 H new ATOM 0 HA THR A 56 -11.556 -7.420 8.068 1.00 0.00 H new ATOM 0 HB THR A 56 -9.983 -8.375 5.701 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.015 -10.466 6.122 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.078 -10.055 7.274 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.752 -8.385 7.795 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.044 -9.326 8.578 1.00 0.00 H new ATOM 781 N ARG A 57 -9.899 -5.597 8.127 1.00 0.00 N ATOM 782 CA ARG A 57 -8.964 -4.478 8.197 1.00 0.00 C ATOM 783 C ARG A 57 -7.594 -4.943 8.681 1.00 0.00 C ATOM 784 O ARG A 57 -7.399 -5.198 9.869 1.00 0.00 O ATOM 785 CB ARG A 57 -9.506 -3.393 9.128 1.00 0.00 C ATOM 786 CG ARG A 57 -8.602 -2.174 9.231 1.00 0.00 C ATOM 787 CD ARG A 57 -9.396 -0.880 9.143 1.00 0.00 C ATOM 788 NE ARG A 57 -10.127 -0.600 10.377 1.00 0.00 N ATOM 789 CZ ARG A 57 -10.710 0.566 10.644 1.00 0.00 C ATOM 790 NH1 ARG A 57 -10.649 1.563 9.769 1.00 0.00 N ATOM 791 NH2 ARG A 57 -11.355 0.737 11.790 1.00 0.00 N ATOM 0 H ARG A 57 -10.270 -5.894 9.030 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.853 -4.065 7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.488 -3.078 8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.647 -3.816 10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.056 -2.203 10.174 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.860 -2.202 8.433 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.719 -0.053 8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.098 -0.942 8.312 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.194 -1.341 11.074 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.153 1.437 8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.098 2.454 9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.404 -0.025 12.466 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.802 1.631 11.995 1.00 0.00 H new ATOM 805 N TYR A 58 -6.650 -5.051 7.752 1.00 0.00 N ATOM 806 CA TYR A 58 -5.298 -5.485 8.084 1.00 0.00 C ATOM 807 C TYR A 58 -4.581 -4.433 8.923 1.00 0.00 C ATOM 808 O TYR A 58 -3.812 -4.762 9.826 1.00 0.00 O ATOM 809 CB TYR A 58 -4.503 -5.766 6.808 1.00 0.00 C ATOM 810 CG TYR A 58 -5.210 -6.692 5.844 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.223 -8.065 6.054 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.865 -6.193 4.726 1.00 0.00 C ATOM 813 CE1 TYR A 58 -5.868 -8.915 5.176 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.513 -7.036 3.843 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.511 -8.396 4.073 1.00 0.00 C ATOM 816 OH TYR A 58 -7.156 -9.239 3.196 1.00 0.00 O ATOM 0 H TYR A 58 -6.796 -4.844 6.764 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.370 -6.403 8.668 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.295 -4.822 6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.541 -6.202 7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.721 -8.475 6.918 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.868 -5.129 4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.868 -9.980 5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.018 -6.632 2.978 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.751 -8.717 2.618 1.00 0.00 H new ATOM 826 N PHE A 59 -4.837 -3.164 8.619 1.00 0.00 N ATOM 827 CA PHE A 59 -4.216 -2.064 9.346 1.00 0.00 C ATOM 828 C PHE A 59 -5.185 -0.894 9.494 1.00 0.00 C ATOM 829 O PHE A 59 -6.103 -0.729 8.691 1.00 0.00 O ATOM 830 CB PHE A 59 -2.946 -1.603 8.629 1.00 0.00 C ATOM 831 CG PHE A 59 -3.162 -1.264 7.181 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.169 -2.258 6.217 1.00 0.00 C ATOM 833 CD2 PHE A 59 -3.358 0.050 6.786 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.366 -1.949 4.885 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.557 0.365 5.455 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.560 -0.636 4.503 1.00 0.00 C ATOM 0 H PHE A 59 -5.470 -2.873 7.874 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.952 -2.422 10.341 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.546 -0.729 9.142 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.193 -2.388 8.701 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.019 -3.287 6.510 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.355 0.836 7.526 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.368 -2.734 4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.710 1.392 5.160 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.714 -0.392 3.462 1.00 0.00 H new ATOM 846 N GLN A 60 -4.973 -0.085 10.528 1.00 0.00 N ATOM 847 CA GLN A 60 -5.827 1.070 10.783 1.00 0.00 C ATOM 848 C GLN A 60 -5.440 2.242 9.886 1.00 0.00 C ATOM 849 O GLN A 60 -4.305 2.715 9.922 1.00 0.00 O ATOM 850 CB GLN A 60 -5.734 1.484 12.252 1.00 0.00 C ATOM 851 CG GLN A 60 -6.657 2.632 12.622 1.00 0.00 C ATOM 852 CD GLN A 60 -8.123 2.264 12.495 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.572 1.257 13.042 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.878 3.082 11.770 1.00 0.00 N ATOM 0 H GLN A 60 -4.218 -0.208 11.202 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.855 0.788 10.557 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.970 0.624 12.878 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.706 1.769 12.476 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.451 2.943 13.646 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.444 3.487 11.980 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.464 3.906 11.334 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.872 2.886 11.649 1.00 0.00 H new ATOM 863 N CYS A 61 -6.393 2.706 9.083 1.00 0.00 N ATOM 864 CA CYS A 61 -6.151 3.823 8.178 1.00 0.00 C ATOM 865 C CYS A 61 -7.456 4.544 7.842 1.00 0.00 C ATOM 866 O CYS A 61 -8.515 3.922 7.765 1.00 0.00 O ATOM 867 CB CYS A 61 -5.482 3.331 6.893 1.00 0.00 C ATOM 868 SG CYS A 61 -3.676 3.424 6.920 1.00 0.00 S ATOM 0 H CYS A 61 -7.339 2.326 9.041 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.486 4.526 8.679 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.779 2.298 6.714 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.853 3.920 6.054 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.177 2.273 6.579 1.00 0.00 H new ATOM 874 N PRO A 62 -7.395 5.872 7.639 1.00 0.00 N ATOM 875 CA PRO A 62 -8.577 6.674 7.312 1.00 0.00 C ATOM 876 C PRO A 62 -9.051 6.453 5.877 1.00 0.00 C ATOM 877 O PRO A 62 -8.295 5.972 5.033 1.00 0.00 O ATOM 878 CB PRO A 62 -8.088 8.111 7.497 1.00 0.00 C ATOM 879 CG PRO A 62 -6.625 8.045 7.228 1.00 0.00 C ATOM 880 CD PRO A 62 -6.171 6.694 7.713 1.00 0.00 C ATOM 0 HA PRO A 62 -9.432 6.414 7.936 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.588 8.792 6.808 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.290 8.472 8.505 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.419 8.167 6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.097 8.844 7.749 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.377 6.289 7.086 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.781 6.743 8.730 1.00 0.00 H new ATOM 888 N PRO A 63 -10.315 6.803 5.580 1.00 0.00 N ATOM 889 CA PRO A 63 -10.887 6.640 4.239 1.00 0.00 C ATOM 890 C PRO A 63 -10.126 7.439 3.186 1.00 0.00 C ATOM 891 O PRO A 63 -9.721 8.576 3.427 1.00 0.00 O ATOM 892 CB PRO A 63 -12.317 7.176 4.382 1.00 0.00 C ATOM 893 CG PRO A 63 -12.601 7.144 5.845 1.00 0.00 C ATOM 894 CD PRO A 63 -11.284 7.381 6.525 1.00 0.00 C ATOM 0 HA PRO A 63 -10.841 5.603 3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.400 8.188 3.987 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.026 6.559 3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -13.326 7.911 6.119 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.026 6.184 6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -11.101 8.443 6.692 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.239 6.893 7.499 1.00 0.00 H new ATOM 902 N LYS A 64 -9.937 6.836 2.016 1.00 0.00 N ATOM 903 CA LYS A 64 -9.226 7.492 0.924 1.00 0.00 C ATOM 904 C LYS A 64 -7.786 7.806 1.320 1.00 0.00 C ATOM 905 O LYS A 64 -7.313 8.930 1.148 1.00 0.00 O ATOM 906 CB LYS A 64 -9.949 8.778 0.515 1.00 0.00 C ATOM 907 CG LYS A 64 -11.446 8.599 0.321 1.00 0.00 C ATOM 908 CD LYS A 64 -11.777 8.204 -1.110 1.00 0.00 C ATOM 909 CE LYS A 64 -11.943 6.700 -1.247 1.00 0.00 C ATOM 910 NZ LYS A 64 -12.661 6.332 -2.498 1.00 0.00 N ATOM 0 H LYS A 64 -10.266 5.895 1.800 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.208 6.809 0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.778 9.539 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.513 9.151 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.814 7.835 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.960 9.527 0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.694 8.703 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.985 8.546 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.962 6.224 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.492 6.316 -0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.754 5.298 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.607 6.765 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.125 6.676 -3.320 1.00 0.00 H new ATOM 924 N PHE A 65 -7.093 6.805 1.852 1.00 0.00 N ATOM 925 CA PHE A 65 -5.706 6.974 2.271 1.00 0.00 C ATOM 926 C PHE A 65 -4.920 5.680 2.084 1.00 0.00 C ATOM 927 O PHE A 65 -3.810 5.689 1.553 1.00 0.00 O ATOM 928 CB PHE A 65 -5.645 7.417 3.734 1.00 0.00 C ATOM 929 CG PHE A 65 -5.584 8.907 3.909 1.00 0.00 C ATOM 930 CD1 PHE A 65 -4.372 9.577 3.843 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.738 9.639 4.138 1.00 0.00 C ATOM 932 CE1 PHE A 65 -4.313 10.947 4.002 1.00 0.00 C ATOM 933 CE2 PHE A 65 -6.685 11.010 4.299 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.470 11.665 4.231 1.00 0.00 C ATOM 0 H PHE A 65 -7.468 5.869 2.003 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.254 7.745 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.521 7.034 4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.770 6.968 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.464 9.021 3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.690 9.132 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.363 11.457 3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.592 11.569 4.478 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.426 12.737 4.357 1.00 0.00 H new ATOM 944 N GLY A 66 -5.505 4.570 2.523 1.00 0.00 N ATOM 945 CA GLY A 66 -4.843 3.285 2.395 1.00 0.00 C ATOM 946 C GLY A 66 -5.050 2.662 1.028 1.00 0.00 C ATOM 947 O GLY A 66 -6.176 2.337 0.651 1.00 0.00 O ATOM 0 H GLY A 66 -6.424 4.537 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.775 3.410 2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.220 2.607 3.161 1.00 0.00 H new ATOM 951 N LEU A 67 -3.962 2.497 0.285 1.00 0.00 N ATOM 952 CA LEU A 67 -4.027 1.909 -1.048 1.00 0.00 C ATOM 953 C LEU A 67 -3.478 0.487 -1.043 1.00 0.00 C ATOM 954 O LEU A 67 -2.635 0.139 -0.215 1.00 0.00 O ATOM 955 CB LEU A 67 -3.249 2.767 -2.046 1.00 0.00 C ATOM 956 CG LEU A 67 -3.412 2.362 -3.512 1.00 0.00 C ATOM 957 CD1 LEU A 67 -4.878 2.393 -3.914 1.00 0.00 C ATOM 958 CD2 LEU A 67 -2.593 3.277 -4.410 1.00 0.00 C ATOM 0 H LEU A 67 -3.023 2.762 0.583 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.073 1.873 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.565 3.804 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.190 2.727 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.045 1.343 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.975 2.102 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.441 1.698 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.271 3.401 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.720 2.975 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.931 4.306 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.540 3.206 -4.138 1.00 0.00 H new ATOM 970 N PHE A 68 -3.960 -0.332 -1.971 1.00 0.00 N ATOM 971 CA PHE A 68 -3.517 -1.718 -2.075 1.00 0.00 C ATOM 972 C PHE A 68 -2.985 -2.017 -3.473 1.00 0.00 C ATOM 973 O PHE A 68 -3.748 -2.076 -4.438 1.00 0.00 O ATOM 974 CB PHE A 68 -4.667 -2.669 -1.740 1.00 0.00 C ATOM 975 CG PHE A 68 -4.850 -2.895 -0.266 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.803 -3.366 0.511 1.00 0.00 C ATOM 977 CD2 PHE A 68 -6.069 -2.638 0.341 1.00 0.00 C ATOM 978 CE1 PHE A 68 -3.969 -3.576 1.866 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.240 -2.847 1.697 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.189 -3.316 2.460 1.00 0.00 C ATOM 0 H PHE A 68 -4.658 -0.060 -2.663 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.709 -1.869 -1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.592 -2.268 -2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.488 -3.628 -2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.847 -3.571 0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.894 -2.271 -0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.146 -3.943 2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.195 -2.644 2.159 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.320 -3.479 3.519 1.00 0.00 H new ATOM 990 N ALA A 69 -1.674 -2.205 -3.575 1.00 0.00 N ATOM 991 CA ALA A 69 -1.042 -2.498 -4.855 1.00 0.00 C ATOM 992 C ALA A 69 -0.104 -3.697 -4.744 1.00 0.00 C ATOM 993 O ALA A 69 0.489 -3.935 -3.691 1.00 0.00 O ATOM 994 CB ALA A 69 -0.286 -1.279 -5.362 1.00 0.00 C ATOM 0 H ALA A 69 -1.029 -2.160 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.826 -2.749 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.181 -1.512 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.980 -0.448 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.483 -1.002 -4.641 1.00 0.00 H new ATOM 1000 N PRO A 70 0.045 -4.471 -5.832 1.00 0.00 N ATOM 1001 CA PRO A 70 0.918 -5.650 -5.850 1.00 0.00 C ATOM 1002 C PRO A 70 2.343 -5.319 -5.417 1.00 0.00 C ATOM 1003 O PRO A 70 2.811 -4.195 -5.595 1.00 0.00 O ATOM 1004 CB PRO A 70 0.894 -6.095 -7.315 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.381 -5.551 -7.858 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.623 -4.259 -7.130 1.00 0.00 C ATOM 0 HA PRO A 70 0.578 -6.418 -5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.754 -5.706 -7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.928 -7.181 -7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.308 -5.386 -8.933 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.203 -6.249 -7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.200 -3.410 -7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.688 -4.060 -7.007 1.00 0.00 H new ATOM 1014 N ILE A 71 3.027 -6.306 -4.845 1.00 0.00 N ATOM 1015 CA ILE A 71 4.397 -6.116 -4.387 1.00 0.00 C ATOM 1016 C ILE A 71 5.316 -5.726 -5.541 1.00 0.00 C ATOM 1017 O ILE A 71 6.115 -4.796 -5.424 1.00 0.00 O ATOM 1018 CB ILE A 71 4.944 -7.389 -3.706 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.343 -7.133 -3.140 1.00 0.00 C ATOM 1020 CG2 ILE A 71 4.967 -8.551 -4.687 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.765 -8.143 -2.096 1.00 0.00 C ATOM 0 H ILE A 71 2.655 -7.243 -4.689 1.00 0.00 H new ATOM 0 HA ILE A 71 4.378 -5.306 -3.658 1.00 0.00 H new ATOM 0 HB ILE A 71 4.282 -7.651 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.064 -7.144 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.372 -6.135 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.355 -9.440 -4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.955 -8.747 -5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.607 -8.300 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.766 -7.901 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.065 -8.117 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.768 -9.141 -2.535 1.00 0.00 H new ATOM 1033 N HIS A 72 5.197 -6.440 -6.656 1.00 0.00 N ATOM 1034 CA HIS A 72 6.018 -6.163 -7.829 1.00 0.00 C ATOM 1035 C HIS A 72 5.738 -4.767 -8.382 1.00 0.00 C ATOM 1036 O HIS A 72 6.536 -4.221 -9.144 1.00 0.00 O ATOM 1037 CB HIS A 72 5.775 -7.214 -8.915 1.00 0.00 C ATOM 1038 CG HIS A 72 4.329 -7.534 -9.134 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.634 -8.479 -8.412 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.443 -7.014 -10.020 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.376 -8.505 -8.874 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.208 -7.634 -9.850 1.00 0.00 N ATOM 0 H HIS A 72 4.542 -7.213 -6.772 1.00 0.00 H new ATOM 0 HA HIS A 72 7.063 -6.206 -7.521 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.205 -6.861 -9.852 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.303 -8.129 -8.647 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.661 -6.242 -10.743 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.601 -9.155 -8.496 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.351 -7.452 -10.372 1.00 0.00 H new ATOM 1050 N LYS A 73 4.602 -4.191 -7.994 1.00 0.00 N ATOM 1051 CA LYS A 73 4.227 -2.858 -8.452 1.00 0.00 C ATOM 1052 C LYS A 73 4.610 -1.797 -7.425 1.00 0.00 C ATOM 1053 O LYS A 73 4.018 -0.718 -7.383 1.00 0.00 O ATOM 1054 CB LYS A 73 2.723 -2.796 -8.728 1.00 0.00 C ATOM 1055 CG LYS A 73 2.257 -3.784 -9.785 1.00 0.00 C ATOM 1056 CD LYS A 73 2.074 -3.113 -11.136 1.00 0.00 C ATOM 1057 CE LYS A 73 1.816 -4.133 -12.234 1.00 0.00 C ATOM 1058 NZ LYS A 73 1.450 -3.481 -13.522 1.00 0.00 N ATOM 0 H LYS A 73 3.928 -4.627 -7.365 1.00 0.00 H new ATOM 0 HA LYS A 73 4.770 -2.654 -9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.184 -2.988 -7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.462 -1.787 -9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.984 -4.591 -9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.316 -4.236 -9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.241 -2.412 -11.086 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.964 -2.533 -11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.706 -4.746 -12.377 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.014 -4.804 -11.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.282 -4.210 -14.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.586 -2.917 -13.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.226 -2.861 -13.830 1.00 0.00 H new ATOM 1072 N VAL A 74 5.604 -2.107 -6.597 1.00 0.00 N ATOM 1073 CA VAL A 74 6.063 -1.177 -5.572 1.00 0.00 C ATOM 1074 C VAL A 74 7.512 -0.769 -5.812 1.00 0.00 C ATOM 1075 O VAL A 74 8.411 -1.610 -5.824 1.00 0.00 O ATOM 1076 CB VAL A 74 5.938 -1.787 -4.162 1.00 0.00 C ATOM 1077 CG1 VAL A 74 6.275 -0.751 -3.099 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.541 -2.350 -3.944 1.00 0.00 C ATOM 0 H VAL A 74 6.106 -2.995 -6.617 1.00 0.00 H new ATOM 0 HA VAL A 74 5.425 -0.296 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 74 6.652 -2.606 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.181 -1.200 -2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.297 -0.401 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.588 0.091 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.473 -2.776 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.806 -1.552 -4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.342 -3.126 -4.683 1.00 0.00 H new ATOM 1088 N ILE A 75 7.733 0.528 -6.000 1.00 0.00 N ATOM 1089 CA ILE A 75 9.074 1.048 -6.240 1.00 0.00 C ATOM 1090 C ILE A 75 9.664 1.651 -4.970 1.00 0.00 C ATOM 1091 O ILE A 75 9.197 2.684 -4.487 1.00 0.00 O ATOM 1092 CB ILE A 75 9.074 2.116 -7.350 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.304 1.615 -8.576 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.500 2.488 -7.727 1.00 0.00 C ATOM 1095 CD1 ILE A 75 7.233 2.572 -9.049 1.00 0.00 C ATOM 0 H ILE A 75 7.001 1.238 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 75 9.687 0.205 -6.559 1.00 0.00 H new ATOM 0 HB ILE A 75 8.574 3.008 -6.973 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.007 1.439 -9.390 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.844 0.656 -8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.483 3.244 -8.512 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.016 2.885 -6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.024 1.602 -8.087 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.729 2.153 -9.920 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.508 2.730 -8.251 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.689 3.525 -9.318 1.00 0.00 H new ATOM 1107 N ARG A 76 10.691 1.001 -4.434 1.00 0.00 N ATOM 1108 CA ARG A 76 11.345 1.475 -3.220 1.00 0.00 C ATOM 1109 C ARG A 76 12.113 2.765 -3.483 1.00 0.00 C ATOM 1110 O ARG A 76 12.762 2.913 -4.519 1.00 0.00 O ATOM 1111 CB ARG A 76 12.293 0.404 -2.676 1.00 0.00 C ATOM 1112 CG ARG A 76 12.317 0.328 -1.159 1.00 0.00 C ATOM 1113 CD ARG A 76 13.502 -0.485 -0.660 1.00 0.00 C ATOM 1114 NE ARG A 76 14.106 0.104 0.533 1.00 0.00 N ATOM 1115 CZ ARG A 76 15.332 -0.187 0.963 1.00 0.00 C ATOM 1116 NH1 ARG A 76 16.086 -1.055 0.301 1.00 0.00 N ATOM 1117 NH2 ARG A 76 15.805 0.394 2.058 1.00 0.00 N ATOM 0 H ARG A 76 11.088 0.145 -4.821 1.00 0.00 H new ATOM 0 HA ARG A 76 10.574 1.679 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.999 -0.567 -3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.301 0.605 -3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.365 1.335 -0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.390 -0.121 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.177 -1.501 -0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.251 -0.556 -1.449 1.00 0.00 H new ATOM 0 HE ARG A 76 13.557 0.777 1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.727 -1.503 -0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.025 -1.274 0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.230 1.063 2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.744 0.172 2.388 1.00 0.00 H new ATOM 1131 N ILE A 77 12.036 3.697 -2.539 1.00 0.00 N ATOM 1132 CA ILE A 77 12.726 4.975 -2.669 1.00 0.00 C ATOM 1133 C ILE A 77 13.388 5.379 -1.357 1.00 0.00 C ATOM 1134 O ILE A 77 12.822 6.142 -0.572 1.00 0.00 O ATOM 1135 CB ILE A 77 11.759 6.093 -3.108 1.00 0.00 C ATOM 1136 CG1 ILE A 77 10.494 6.072 -2.248 1.00 0.00 C ATOM 1137 CG2 ILE A 77 11.408 5.941 -4.580 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.972 7.450 -1.907 1.00 0.00 C ATOM 0 H ILE A 77 11.503 3.591 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 77 13.492 4.844 -3.434 1.00 0.00 H new ATOM 0 HB ILE A 77 12.253 7.055 -2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.716 5.518 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.701 5.532 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.725 6.737 -4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.317 6.002 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.931 4.975 -4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 77 9.074 7.358 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.733 8.001 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.732 7.986 -2.825 1.00 0.00 H new