USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 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 29 TYR OH : rot 19:sc= -2.97! USER MOD Set 1.2: A 37 GLN : amide:sc= -3.28! C(o=-6.2!,f=-9.1!) USER MOD Set 2.1: A 8 ASN :FLIP amide:sc= -1.02 F(o=-8.8!,f=-3.1) USER MOD Set 2.2: A 19 GLN :FLIP amide:sc= -2.1! C(o=-8.5!,f=-3.1!) USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= -0.084 (180deg=-1.06) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -35:sc= -0.0185! USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= -0.217 (180deg=-1.07) USER MOD Single : A 25 TYR OH : rot 165:sc= -1.35 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 97:sc= 0.34 USER MOD Single : A 41 SER OG : rot -121:sc= 0.138 USER MOD Single : A 43 LYS NZ :NH3+ -127:sc= -2.91 (180deg=-8.65!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.14 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -2.62! (180deg=-3.36!) USER MOD Single : A 59 SER OG : rot -160:sc= -0.0673 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 13.175 -4.226 11.143 1.00 0.00 N ATOM 63 CA ARG A 6 12.759 -3.220 12.174 1.00 0.00 C ATOM 64 C ARG A 6 12.057 -2.043 11.492 1.00 0.00 C ATOM 65 O ARG A 6 12.076 -1.911 10.285 1.00 0.00 O ATOM 66 CB ARG A 6 14.001 -2.707 12.915 1.00 0.00 C ATOM 67 CG ARG A 6 14.762 -3.888 13.576 1.00 0.00 C ATOM 68 CD ARG A 6 15.161 -3.529 15.012 1.00 0.00 C ATOM 69 NE ARG A 6 16.090 -4.565 15.545 1.00 0.00 N ATOM 70 CZ ARG A 6 16.787 -4.325 16.622 1.00 0.00 C ATOM 71 NH1 ARG A 6 16.667 -3.179 17.235 1.00 0.00 N ATOM 72 NH2 ARG A 6 17.602 -5.231 17.087 1.00 0.00 N ATOM 0 HA ARG A 6 12.076 -3.690 12.881 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.659 -2.186 12.219 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.706 -1.985 13.676 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.133 -4.778 13.578 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.652 -4.127 12.994 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.640 -2.550 15.033 1.00 0.00 H new ATOM 0 HD3 ARG A 6 14.274 -3.463 15.641 1.00 0.00 H new ATOM 0 HE ARG A 6 16.181 -5.462 15.068 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.028 -2.471 16.872 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.212 -2.991 18.077 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.695 -6.127 16.609 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.147 -5.043 17.929 1.00 0.00 H new ATOM 86 N ASP A 7 11.436 -1.187 12.260 1.00 0.00 N ATOM 87 CA ASP A 7 10.730 -0.017 11.661 1.00 0.00 C ATOM 88 C ASP A 7 11.731 1.110 11.397 1.00 0.00 C ATOM 89 O ASP A 7 12.930 0.911 11.432 1.00 0.00 O ATOM 90 CB ASP A 7 9.656 0.480 12.631 1.00 0.00 C ATOM 91 CG ASP A 7 10.320 0.998 13.908 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.489 0.710 14.104 1.00 0.00 O ATOM 93 OD2 ASP A 7 9.648 1.675 14.668 1.00 0.00 O ATOM 0 H ASP A 7 11.387 -1.248 13.277 1.00 0.00 H new ATOM 0 HA ASP A 7 10.267 -0.319 10.722 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.070 1.273 12.166 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.965 -0.328 12.870 1.00 0.00 H new ATOM 98 N ASN A 8 11.246 2.291 11.133 1.00 0.00 N ATOM 99 CA ASN A 8 12.166 3.433 10.865 1.00 0.00 C ATOM 100 C ASN A 8 12.818 3.888 12.174 1.00 0.00 C ATOM 101 O ASN A 8 13.355 4.975 12.262 1.00 0.00 O ATOM 102 CB ASN A 8 11.375 4.594 10.258 1.00 0.00 C ATOM 103 CG ASN A 8 10.311 5.065 11.253 1.00 0.00 C ATOM 104 OD1 ASN A 8 9.991 4.298 12.259 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 9.767 6.141 11.113 1.00 0.00 N flip ATOM 0 H ASN A 8 10.252 2.516 11.091 1.00 0.00 H new ATOM 0 HA ASN A 8 12.941 3.116 10.167 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.047 5.416 10.012 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.903 4.279 9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.017 6.740 10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.060 6.446 11.782 1.00 0.00 H new ATOM 112 N ARG A 9 12.775 3.064 13.193 1.00 0.00 N ATOM 113 CA ARG A 9 13.392 3.436 14.508 1.00 0.00 C ATOM 114 C ARG A 9 14.216 2.257 15.032 1.00 0.00 C ATOM 115 O ARG A 9 15.322 2.017 14.593 1.00 0.00 O ATOM 116 CB ARG A 9 12.285 3.764 15.515 1.00 0.00 C ATOM 117 CG ARG A 9 11.624 5.102 15.148 1.00 0.00 C ATOM 118 CD ARG A 9 12.601 6.273 15.362 1.00 0.00 C ATOM 119 NE ARG A 9 13.317 6.560 14.088 1.00 0.00 N ATOM 120 CZ ARG A 9 13.959 7.686 13.939 1.00 0.00 C ATOM 121 NH1 ARG A 9 13.970 8.564 14.903 1.00 0.00 N ATOM 122 NH2 ARG A 9 14.590 7.933 12.823 1.00 0.00 N ATOM 0 H ARG A 9 12.336 2.143 13.171 1.00 0.00 H new ATOM 0 HA ARG A 9 14.036 4.305 14.375 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.539 2.969 15.520 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.701 3.818 16.521 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.300 5.079 14.108 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.732 5.251 15.757 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.058 7.158 15.694 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.316 6.025 16.146 1.00 0.00 H new ATOM 0 HE ARG A 9 13.305 5.876 13.332 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.476 8.371 15.774 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.472 9.444 14.786 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.581 7.246 12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.092 8.813 12.705 1.00 0.00 H new ATOM 136 N GLY A 10 13.683 1.518 15.970 1.00 0.00 N ATOM 137 CA GLY A 10 14.431 0.350 16.528 1.00 0.00 C ATOM 138 C GLY A 10 13.435 -0.715 16.985 1.00 0.00 C ATOM 139 O GLY A 10 13.787 -1.666 17.655 1.00 0.00 O ATOM 0 H GLY A 10 12.760 1.673 16.375 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.101 -0.062 15.773 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.052 0.667 17.366 1.00 0.00 H new ATOM 143 N ARG A 11 12.191 -0.562 16.623 1.00 0.00 N ATOM 144 CA ARG A 11 11.158 -1.557 17.025 1.00 0.00 C ATOM 145 C ARG A 11 11.179 -2.729 16.039 1.00 0.00 C ATOM 146 O ARG A 11 11.714 -2.623 14.954 1.00 0.00 O ATOM 147 CB ARG A 11 9.784 -0.871 17.006 1.00 0.00 C ATOM 148 CG ARG A 11 9.579 -0.042 18.307 1.00 0.00 C ATOM 149 CD ARG A 11 8.958 1.326 17.983 1.00 0.00 C ATOM 150 NE ARG A 11 7.958 1.180 16.888 1.00 0.00 N ATOM 151 CZ ARG A 11 7.111 2.142 16.648 1.00 0.00 C ATOM 152 NH1 ARG A 11 7.123 3.221 17.381 1.00 0.00 N ATOM 153 NH2 ARG A 11 6.251 2.024 15.675 1.00 0.00 N ATOM 0 H ARG A 11 11.844 0.216 16.062 1.00 0.00 H new ATOM 0 HA ARG A 11 11.361 -1.935 18.027 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.707 -0.220 16.135 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.997 -1.620 16.915 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.933 -0.588 18.994 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.535 0.097 18.811 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.480 1.738 18.872 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.737 2.028 17.685 1.00 0.00 H new ATOM 0 HE ARG A 11 7.936 0.329 16.327 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.795 3.313 18.143 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.460 3.973 17.193 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.241 1.180 15.103 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.588 2.776 15.486 1.00 0.00 H new ATOM 167 N ILE A 12 10.614 -3.851 16.413 1.00 0.00 N ATOM 168 CA ILE A 12 10.612 -5.044 15.506 1.00 0.00 C ATOM 169 C ILE A 12 9.239 -5.205 14.845 1.00 0.00 C ATOM 170 O ILE A 12 8.238 -5.390 15.507 1.00 0.00 O ATOM 171 CB ILE A 12 10.909 -6.302 16.329 1.00 0.00 C ATOM 172 CG1 ILE A 12 12.275 -6.162 17.041 1.00 0.00 C ATOM 173 CG2 ILE A 12 10.903 -7.528 15.408 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.438 -6.545 16.107 1.00 0.00 C ATOM 0 H ILE A 12 10.152 -3.994 17.311 1.00 0.00 H new ATOM 0 HA ILE A 12 11.371 -4.903 14.736 1.00 0.00 H new ATOM 0 HB ILE A 12 10.139 -6.428 17.090 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.405 -5.135 17.384 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.293 -6.798 17.926 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.114 -8.423 15.993 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.925 -7.625 14.937 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.666 -7.409 14.639 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.383 -6.435 16.639 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.321 -7.580 15.785 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.435 -5.891 15.235 1.00 0.00 H new ATOM 186 N LEU A 13 9.191 -5.161 13.538 1.00 0.00 N ATOM 187 CA LEU A 13 7.889 -5.338 12.826 1.00 0.00 C ATOM 188 C LEU A 13 7.690 -6.828 12.531 1.00 0.00 C ATOM 189 O LEU A 13 8.626 -7.533 12.211 1.00 0.00 O ATOM 190 CB LEU A 13 7.914 -4.563 11.505 1.00 0.00 C ATOM 191 CG LEU A 13 7.990 -3.053 11.776 1.00 0.00 C ATOM 192 CD1 LEU A 13 8.350 -2.326 10.474 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.639 -2.530 12.300 1.00 0.00 C ATOM 0 H LEU A 13 9.998 -5.010 12.932 1.00 0.00 H new ATOM 0 HA LEU A 13 7.075 -4.964 13.447 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.770 -4.876 10.908 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.020 -4.791 10.924 1.00 0.00 H new ATOM 0 HG LEU A 13 8.753 -2.866 12.532 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.406 -1.253 10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.315 -2.682 10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.586 -2.525 9.723 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.711 -1.459 12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.863 -2.718 11.557 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.385 -3.043 13.227 1.00 0.00 H new ATOM 205 N LYS A 14 6.483 -7.317 12.637 1.00 0.00 N ATOM 206 CA LYS A 14 6.237 -8.766 12.362 1.00 0.00 C ATOM 207 C LYS A 14 5.921 -8.957 10.876 1.00 0.00 C ATOM 208 O LYS A 14 5.409 -8.070 10.223 1.00 0.00 O ATOM 209 CB LYS A 14 5.049 -9.247 13.204 1.00 0.00 C ATOM 210 CG LYS A 14 5.384 -9.127 14.703 1.00 0.00 C ATOM 211 CD LYS A 14 6.135 -10.387 15.188 1.00 0.00 C ATOM 212 CE LYS A 14 7.064 -10.027 16.353 1.00 0.00 C ATOM 213 NZ LYS A 14 6.390 -9.037 17.239 1.00 0.00 N ATOM 0 H LYS A 14 5.658 -6.779 12.901 1.00 0.00 H new ATOM 0 HA LYS A 14 7.125 -9.343 12.620 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.164 -8.654 12.972 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.813 -10.282 12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.996 -8.242 14.876 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.467 -8.998 15.278 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.421 -11.148 15.503 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.714 -10.813 14.369 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.319 -10.923 16.919 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.998 -9.614 15.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.762 -9.127 18.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.571 -8.076 16.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.366 -9.217 17.244 1.00 0.00 H new ATOM 227 N THR A 15 6.225 -10.107 10.333 1.00 0.00 N ATOM 228 CA THR A 15 5.942 -10.347 8.887 1.00 0.00 C ATOM 229 C THR A 15 4.505 -9.929 8.573 1.00 0.00 C ATOM 230 O THR A 15 3.560 -10.612 8.914 1.00 0.00 O ATOM 231 CB THR A 15 6.120 -11.833 8.563 1.00 0.00 C ATOM 232 OG1 THR A 15 7.465 -12.213 8.820 1.00 0.00 O ATOM 233 CG2 THR A 15 5.789 -12.084 7.087 1.00 0.00 C ATOM 0 H THR A 15 6.656 -10.888 10.827 1.00 0.00 H new ATOM 0 HA THR A 15 6.635 -9.761 8.284 1.00 0.00 H new ATOM 0 HB THR A 15 5.448 -12.423 9.187 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.581 -13.164 8.615 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.917 -13.142 6.860 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.757 -11.793 6.891 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.458 -11.495 6.459 1.00 0.00 H new ATOM 241 N GLY A 16 4.334 -8.808 7.926 1.00 0.00 N ATOM 242 CA GLY A 16 2.959 -8.334 7.589 1.00 0.00 C ATOM 243 C GLY A 16 2.927 -6.807 7.648 1.00 0.00 C ATOM 244 O GLY A 16 2.386 -6.152 6.780 1.00 0.00 O ATOM 0 H GLY A 16 5.089 -8.197 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.676 -8.678 6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.235 -8.752 8.288 1.00 0.00 H new ATOM 248 N GLU A 17 3.504 -6.237 8.671 1.00 0.00 N ATOM 249 CA GLU A 17 3.514 -4.750 8.802 1.00 0.00 C ATOM 250 C GLU A 17 4.770 -4.189 8.135 1.00 0.00 C ATOM 251 O GLU A 17 5.787 -4.848 8.049 1.00 0.00 O ATOM 252 CB GLU A 17 3.521 -4.371 10.284 1.00 0.00 C ATOM 253 CG GLU A 17 2.439 -5.162 11.019 1.00 0.00 C ATOM 254 CD GLU A 17 2.331 -4.661 12.460 1.00 0.00 C ATOM 255 OE1 GLU A 17 3.331 -4.197 12.981 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.250 -4.750 13.018 1.00 0.00 O ATOM 0 H GLU A 17 3.971 -6.739 9.426 1.00 0.00 H new ATOM 0 HA GLU A 17 2.627 -4.337 8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.498 -4.581 10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.344 -3.301 10.397 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.482 -5.048 10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.681 -6.225 11.009 1.00 0.00 H new ATOM 263 N SER A 18 4.708 -2.975 7.663 1.00 0.00 N ATOM 264 CA SER A 18 5.899 -2.371 7.004 1.00 0.00 C ATOM 265 C SER A 18 5.751 -0.849 6.976 1.00 0.00 C ATOM 266 O SER A 18 4.930 -0.284 7.671 1.00 0.00 O ATOM 267 CB SER A 18 6.015 -2.900 5.574 1.00 0.00 C ATOM 268 OG SER A 18 5.765 -4.299 5.569 1.00 0.00 O ATOM 0 H SER A 18 3.884 -2.375 7.705 1.00 0.00 H new ATOM 0 HA SER A 18 6.796 -2.637 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.302 -2.389 4.926 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.010 -2.695 5.178 1.00 0.00 H new ATOM 0 HG SER A 18 6.117 -4.697 6.392 1.00 0.00 H new ATOM 274 N GLN A 19 6.540 -0.180 6.179 1.00 0.00 N ATOM 275 CA GLN A 19 6.448 1.309 6.104 1.00 0.00 C ATOM 276 C GLN A 19 6.787 1.769 4.686 1.00 0.00 C ATOM 277 O GLN A 19 7.819 1.429 4.141 1.00 0.00 O ATOM 278 CB GLN A 19 7.433 1.929 7.098 1.00 0.00 C ATOM 279 CG GLN A 19 7.166 3.429 7.214 1.00 0.00 C ATOM 280 CD GLN A 19 8.248 4.076 8.081 1.00 0.00 C ATOM 281 OE1 GLN A 19 8.127 4.053 9.380 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 9.214 4.607 7.570 1.00 0.00 N flip ATOM 0 H GLN A 19 7.246 -0.600 5.575 1.00 0.00 H new ATOM 0 HA GLN A 19 5.435 1.627 6.353 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.329 1.454 8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.457 1.756 6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.158 3.885 6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.183 3.601 7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.308 4.625 6.555 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.931 5.035 8.156 1.00 0.00 H new ATOM 291 N ARG A 20 5.920 2.536 4.080 1.00 0.00 N ATOM 292 CA ARG A 20 6.185 3.012 2.694 1.00 0.00 C ATOM 293 C ARG A 20 7.165 4.186 2.723 1.00 0.00 C ATOM 294 O ARG A 20 7.845 4.422 3.703 1.00 0.00 O ATOM 295 CB ARG A 20 4.873 3.474 2.045 1.00 0.00 C ATOM 296 CG ARG A 20 3.947 2.271 1.795 1.00 0.00 C ATOM 297 CD ARG A 20 2.951 2.615 0.679 1.00 0.00 C ATOM 298 NE ARG A 20 2.599 4.062 0.756 1.00 0.00 N ATOM 299 CZ ARG A 20 2.011 4.644 -0.253 1.00 0.00 C ATOM 300 NH1 ARG A 20 1.725 3.959 -1.326 1.00 0.00 N ATOM 301 NH2 ARG A 20 1.709 5.912 -0.189 1.00 0.00 N ATOM 0 H ARG A 20 5.040 2.853 4.486 1.00 0.00 H new ATOM 0 HA ARG A 20 6.614 2.192 2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.375 4.197 2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.084 3.981 1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.536 1.397 1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.411 2.015 2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.386 2.387 -0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.053 2.005 0.778 1.00 0.00 H new ATOM 0 HE ARG A 20 2.818 4.596 1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.961 2.968 -1.376 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.265 4.415 -2.114 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.933 6.448 0.650 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.249 6.367 -0.978 1.00 0.00 H new ATOM 315 N LYS A 21 7.245 4.916 1.645 1.00 0.00 N ATOM 316 CA LYS A 21 8.179 6.073 1.578 1.00 0.00 C ATOM 317 C LYS A 21 7.575 7.270 2.316 1.00 0.00 C ATOM 318 O LYS A 21 8.264 8.207 2.667 1.00 0.00 O ATOM 319 CB LYS A 21 8.398 6.441 0.104 1.00 0.00 C ATOM 320 CG LYS A 21 8.868 5.195 -0.707 1.00 0.00 C ATOM 321 CD LYS A 21 8.086 5.074 -2.027 1.00 0.00 C ATOM 322 CE LYS A 21 8.497 6.198 -2.975 1.00 0.00 C ATOM 323 NZ LYS A 21 9.974 6.166 -3.177 1.00 0.00 N ATOM 0 H LYS A 21 6.697 4.758 0.799 1.00 0.00 H new ATOM 0 HA LYS A 21 9.128 5.809 2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.473 6.831 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.142 7.234 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.935 5.274 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.726 4.293 -0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.281 4.106 -2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.015 5.124 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.986 6.086 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.197 7.162 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.209 6.605 -4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.441 6.691 -2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.304 5.180 -3.172 1.00 0.00 H new ATOM 337 N ASP A 22 6.292 7.253 2.546 1.00 0.00 N ATOM 338 CA ASP A 22 5.646 8.398 3.251 1.00 0.00 C ATOM 339 C ASP A 22 5.866 8.272 4.761 1.00 0.00 C ATOM 340 O ASP A 22 5.540 9.164 5.519 1.00 0.00 O ATOM 341 CB ASP A 22 4.148 8.401 2.954 1.00 0.00 C ATOM 342 CG ASP A 22 3.923 8.732 1.477 1.00 0.00 C ATOM 343 OD1 ASP A 22 3.799 9.906 1.167 1.00 0.00 O ATOM 344 OD2 ASP A 22 3.875 7.808 0.684 1.00 0.00 O ATOM 0 H ASP A 22 5.662 6.497 2.277 1.00 0.00 H new ATOM 0 HA ASP A 22 6.090 9.330 2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.717 7.428 3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.643 9.134 3.583 1.00 0.00 H new ATOM 349 N GLY A 23 6.429 7.180 5.207 1.00 0.00 N ATOM 350 CA GLY A 23 6.685 7.011 6.671 1.00 0.00 C ATOM 351 C GLY A 23 5.490 6.337 7.359 1.00 0.00 C ATOM 352 O GLY A 23 5.633 5.742 8.409 1.00 0.00 O ATOM 0 H GLY A 23 6.723 6.397 4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.583 6.411 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.872 7.983 7.127 1.00 0.00 H new ATOM 356 N ARG A 24 4.316 6.420 6.793 1.00 0.00 N ATOM 357 CA ARG A 24 3.141 5.770 7.449 1.00 0.00 C ATOM 358 C ARG A 24 3.320 4.248 7.392 1.00 0.00 C ATOM 359 O ARG A 24 3.987 3.724 6.520 1.00 0.00 O ATOM 360 CB ARG A 24 1.832 6.175 6.732 1.00 0.00 C ATOM 361 CG ARG A 24 2.129 6.560 5.275 1.00 0.00 C ATOM 362 CD ARG A 24 0.852 6.441 4.427 1.00 0.00 C ATOM 363 NE ARG A 24 0.991 7.244 3.165 1.00 0.00 N ATOM 364 CZ ARG A 24 1.168 8.536 3.182 1.00 0.00 C ATOM 365 NH1 ARG A 24 1.119 9.193 4.305 1.00 0.00 N ATOM 366 NH2 ARG A 24 1.358 9.178 2.063 1.00 0.00 N ATOM 0 H ARG A 24 4.119 6.903 5.916 1.00 0.00 H new ATOM 0 HA ARG A 24 3.079 6.097 8.487 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.121 5.349 6.761 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.368 7.014 7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.511 7.580 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.906 5.911 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.665 5.395 4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.007 6.793 4.998 1.00 0.00 H new ATOM 0 HE ARG A 24 0.946 6.764 2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.941 8.697 5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.258 10.203 4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.368 8.670 1.179 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.497 10.188 2.072 1.00 0.00 H new ATOM 380 N TYR A 25 2.732 3.538 8.314 1.00 0.00 N ATOM 381 CA TYR A 25 2.871 2.055 8.314 1.00 0.00 C ATOM 382 C TYR A 25 1.916 1.452 7.279 1.00 0.00 C ATOM 383 O TYR A 25 0.947 2.071 6.879 1.00 0.00 O ATOM 384 CB TYR A 25 2.534 1.512 9.704 1.00 0.00 C ATOM 385 CG TYR A 25 3.602 1.951 10.681 1.00 0.00 C ATOM 386 CD1 TYR A 25 4.896 1.427 10.581 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.300 2.883 11.684 1.00 0.00 C ATOM 388 CE1 TYR A 25 5.888 1.833 11.482 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.293 3.288 12.585 1.00 0.00 C ATOM 390 CZ TYR A 25 5.586 2.763 12.484 1.00 0.00 C ATOM 391 OH TYR A 25 6.565 3.162 13.371 1.00 0.00 O ATOM 0 H TYR A 25 2.161 3.921 9.068 1.00 0.00 H new ATOM 0 HA TYR A 25 3.896 1.785 8.059 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.559 1.878 10.024 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.473 0.424 9.678 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.129 0.709 9.809 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.302 3.288 11.762 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.886 1.429 11.404 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.061 4.006 13.358 1.00 0.00 H new ATOM 0 HH TYR A 25 6.272 3.971 13.840 1.00 0.00 H new ATOM 401 N LEU A 26 2.185 0.248 6.842 1.00 0.00 N ATOM 402 CA LEU A 26 1.304 -0.412 5.828 1.00 0.00 C ATOM 403 C LEU A 26 1.198 -1.902 6.154 1.00 0.00 C ATOM 404 O LEU A 26 2.176 -2.623 6.124 1.00 0.00 O ATOM 405 CB LEU A 26 1.922 -0.229 4.422 1.00 0.00 C ATOM 406 CG LEU A 26 1.313 -1.222 3.408 1.00 0.00 C ATOM 407 CD1 LEU A 26 -0.211 -1.090 3.396 1.00 0.00 C ATOM 408 CD2 LEU A 26 1.852 -0.919 2.007 1.00 0.00 C ATOM 0 H LEU A 26 2.982 -0.311 7.146 1.00 0.00 H new ATOM 0 HA LEU A 26 0.311 0.037 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.755 0.792 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.001 -0.375 4.475 1.00 0.00 H new ATOM 0 HG LEU A 26 1.586 -2.236 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.632 -1.794 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.603 -1.307 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.486 -0.074 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.422 -1.620 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.581 0.099 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.937 -1.019 2.005 1.00 0.00 H new ATOM 420 N TYR A 27 0.010 -2.373 6.435 1.00 0.00 N ATOM 421 CA TYR A 27 -0.184 -3.823 6.729 1.00 0.00 C ATOM 422 C TYR A 27 -0.826 -4.471 5.506 1.00 0.00 C ATOM 423 O TYR A 27 -2.005 -4.307 5.242 1.00 0.00 O ATOM 424 CB TYR A 27 -1.093 -3.988 7.947 1.00 0.00 C ATOM 425 CG TYR A 27 -1.447 -5.448 8.132 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.442 -6.376 8.423 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.779 -5.872 8.021 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.765 -7.726 8.604 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.099 -7.222 8.200 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.093 -8.148 8.492 1.00 0.00 C ATOM 431 OH TYR A 27 -2.412 -9.480 8.672 1.00 0.00 O ATOM 0 H TYR A 27 -0.840 -1.810 6.473 1.00 0.00 H new ATOM 0 HA TYR A 27 0.773 -4.297 6.947 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.593 -3.610 8.839 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.001 -3.398 7.817 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.584 -6.051 8.508 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.557 -5.157 7.798 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.012 -8.441 8.830 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.124 -7.549 8.113 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.378 -9.603 8.561 1.00 0.00 H new ATOM 441 N LYS A 28 -0.042 -5.190 4.749 1.00 0.00 N ATOM 442 CA LYS A 28 -0.560 -5.864 3.523 1.00 0.00 C ATOM 443 C LYS A 28 -0.833 -7.333 3.848 1.00 0.00 C ATOM 444 O LYS A 28 -0.021 -7.999 4.459 1.00 0.00 O ATOM 445 CB LYS A 28 0.503 -5.759 2.420 1.00 0.00 C ATOM 446 CG LYS A 28 -0.125 -5.945 1.032 1.00 0.00 C ATOM 447 CD LYS A 28 0.853 -5.429 -0.033 1.00 0.00 C ATOM 448 CE LYS A 28 0.383 -5.834 -1.439 1.00 0.00 C ATOM 449 NZ LYS A 28 1.012 -7.132 -1.815 1.00 0.00 N ATOM 0 H LYS A 28 0.950 -5.341 4.931 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.482 -5.392 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.993 -4.787 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.273 -6.514 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.350 -6.997 0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.069 -5.403 0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.931 -4.344 0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.849 -5.832 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.703 -5.924 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.653 -5.063 -2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.696 -7.408 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.047 -7.030 -1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.733 -7.864 -1.131 1.00 0.00 H new ATOM 463 N TYR A 29 -1.957 -7.850 3.447 1.00 0.00 N ATOM 464 CA TYR A 29 -2.253 -9.283 3.741 1.00 0.00 C ATOM 465 C TYR A 29 -3.276 -9.829 2.746 1.00 0.00 C ATOM 466 O TYR A 29 -4.139 -9.120 2.268 1.00 0.00 O ATOM 467 CB TYR A 29 -2.790 -9.419 5.168 1.00 0.00 C ATOM 468 CG TYR A 29 -4.116 -8.708 5.294 1.00 0.00 C ATOM 469 CD1 TYR A 29 -4.151 -7.326 5.509 1.00 0.00 C ATOM 470 CD2 TYR A 29 -5.311 -9.434 5.210 1.00 0.00 C ATOM 471 CE1 TYR A 29 -5.380 -6.669 5.639 1.00 0.00 C ATOM 472 CE2 TYR A 29 -6.539 -8.777 5.341 1.00 0.00 C ATOM 473 CZ TYR A 29 -6.574 -7.394 5.555 1.00 0.00 C ATOM 474 OH TYR A 29 -7.786 -6.747 5.687 1.00 0.00 O ATOM 0 H TYR A 29 -2.681 -7.350 2.932 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.332 -9.859 3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.908 -10.473 5.421 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.075 -8.999 5.875 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.230 -6.766 5.575 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.284 -10.501 5.044 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.407 -5.602 5.804 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.460 -9.337 5.277 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.663 -5.787 5.531 1.00 0.00 H new ATOM 484 N ILE A 30 -3.177 -11.091 2.434 1.00 0.00 N ATOM 485 CA ILE A 30 -4.127 -11.714 1.470 1.00 0.00 C ATOM 486 C ILE A 30 -5.414 -12.099 2.209 1.00 0.00 C ATOM 487 O ILE A 30 -5.405 -12.926 3.099 1.00 0.00 O ATOM 488 CB ILE A 30 -3.467 -12.960 0.867 1.00 0.00 C ATOM 489 CG1 ILE A 30 -1.988 -12.665 0.590 1.00 0.00 C ATOM 490 CG2 ILE A 30 -4.162 -13.349 -0.441 1.00 0.00 C ATOM 491 CD1 ILE A 30 -1.848 -11.397 -0.250 1.00 0.00 C ATOM 0 H ILE A 30 -2.471 -11.724 2.810 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.375 -11.014 0.672 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.555 -13.786 1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.451 -12.547 1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.534 -13.507 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.683 -14.235 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.213 -13.563 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.085 -12.527 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.793 -11.200 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.368 -11.530 -1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.284 -10.555 0.287 1.00 0.00 H new ATOM 503 N ASP A 31 -6.519 -11.500 1.853 1.00 0.00 N ATOM 504 CA ASP A 31 -7.799 -11.828 2.544 1.00 0.00 C ATOM 505 C ASP A 31 -8.368 -13.132 1.981 1.00 0.00 C ATOM 506 O ASP A 31 -7.853 -13.692 1.034 1.00 0.00 O ATOM 507 CB ASP A 31 -8.803 -10.695 2.323 1.00 0.00 C ATOM 508 CG ASP A 31 -8.806 -10.294 0.846 1.00 0.00 C ATOM 509 OD1 ASP A 31 -8.308 -11.066 0.042 1.00 0.00 O ATOM 510 OD2 ASP A 31 -9.306 -9.223 0.544 1.00 0.00 O ATOM 0 H ASP A 31 -6.590 -10.799 1.115 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.613 -11.946 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.800 -11.015 2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.541 -9.837 2.943 1.00 0.00 H new ATOM 515 N SER A 32 -9.427 -13.625 2.568 1.00 0.00 N ATOM 516 CA SER A 32 -10.032 -14.900 2.084 1.00 0.00 C ATOM 517 C SER A 32 -10.663 -14.693 0.705 1.00 0.00 C ATOM 518 O SER A 32 -11.417 -15.518 0.229 1.00 0.00 O ATOM 519 CB SER A 32 -11.110 -15.351 3.068 1.00 0.00 C ATOM 520 OG SER A 32 -10.498 -15.728 4.295 1.00 0.00 O ATOM 0 H SER A 32 -9.900 -13.198 3.364 1.00 0.00 H new ATOM 0 HA SER A 32 -9.253 -15.659 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.824 -14.545 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.668 -16.190 2.654 1.00 0.00 H new ATOM 0 HG SER A 32 -11.187 -16.016 4.929 1.00 0.00 H new ATOM 526 N PHE A 33 -10.361 -13.599 0.058 1.00 0.00 N ATOM 527 CA PHE A 33 -10.938 -13.333 -1.292 1.00 0.00 C ATOM 528 C PHE A 33 -9.906 -13.717 -2.354 1.00 0.00 C ATOM 529 O PHE A 33 -10.243 -14.133 -3.445 1.00 0.00 O ATOM 530 CB PHE A 33 -11.261 -11.837 -1.409 1.00 0.00 C ATOM 531 CG PHE A 33 -12.600 -11.549 -0.765 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.777 -11.993 -1.378 1.00 0.00 C ATOM 533 CD2 PHE A 33 -12.666 -10.839 0.441 1.00 0.00 C ATOM 534 CE1 PHE A 33 -15.019 -11.731 -0.787 1.00 0.00 C ATOM 535 CE2 PHE A 33 -13.908 -10.576 1.032 1.00 0.00 C ATOM 536 CZ PHE A 33 -15.084 -11.022 0.418 1.00 0.00 C ATOM 0 H PHE A 33 -9.735 -12.874 0.409 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.848 -13.916 -1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.481 -11.248 -0.926 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.281 -11.541 -2.458 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -13.727 -12.539 -2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.759 -10.494 0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.926 -12.076 -1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.958 -10.029 1.962 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.042 -10.819 0.874 1.00 0.00 H new ATOM 546 N GLY A 34 -8.647 -13.570 -2.039 1.00 0.00 N ATOM 547 CA GLY A 34 -7.568 -13.910 -3.015 1.00 0.00 C ATOM 548 C GLY A 34 -7.017 -12.617 -3.611 1.00 0.00 C ATOM 549 O GLY A 34 -6.513 -12.594 -4.717 1.00 0.00 O ATOM 0 H GLY A 34 -8.316 -13.225 -1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.772 -14.466 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.961 -14.551 -3.804 1.00 0.00 H new ATOM 553 N GLU A 35 -7.114 -11.535 -2.881 1.00 0.00 N ATOM 554 CA GLU A 35 -6.602 -10.224 -3.391 1.00 0.00 C ATOM 555 C GLU A 35 -5.995 -9.437 -2.210 1.00 0.00 C ATOM 556 O GLU A 35 -6.694 -9.123 -1.267 1.00 0.00 O ATOM 557 CB GLU A 35 -7.765 -9.423 -4.003 1.00 0.00 C ATOM 558 CG GLU A 35 -9.056 -9.753 -3.261 1.00 0.00 C ATOM 559 CD GLU A 35 -10.190 -8.871 -3.788 1.00 0.00 C ATOM 560 OE1 GLU A 35 -10.822 -9.268 -4.753 1.00 0.00 O ATOM 561 OE2 GLU A 35 -10.408 -7.815 -3.217 1.00 0.00 O ATOM 0 H GLU A 35 -7.528 -11.502 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.842 -10.391 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.559 -8.355 -3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.869 -9.664 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.307 -10.805 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.924 -9.592 -2.191 1.00 0.00 H new ATOM 568 N PRO A 36 -4.717 -9.112 -2.239 1.00 0.00 N ATOM 569 CA PRO A 36 -4.074 -8.354 -1.129 1.00 0.00 C ATOM 570 C PRO A 36 -4.955 -7.209 -0.618 1.00 0.00 C ATOM 571 O PRO A 36 -5.794 -6.695 -1.332 1.00 0.00 O ATOM 572 CB PRO A 36 -2.784 -7.821 -1.754 1.00 0.00 C ATOM 573 CG PRO A 36 -2.422 -8.828 -2.801 1.00 0.00 C ATOM 574 CD PRO A 36 -3.745 -9.421 -3.310 1.00 0.00 C ATOM 0 HA PRO A 36 -3.900 -8.980 -0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.934 -6.833 -2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.994 -7.724 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.868 -8.360 -3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.782 -9.607 -2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.043 -8.975 -4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.663 -10.495 -3.475 1.00 0.00 H new ATOM 582 N GLN A 37 -4.770 -6.813 0.618 1.00 0.00 N ATOM 583 CA GLN A 37 -5.590 -5.703 1.201 1.00 0.00 C ATOM 584 C GLN A 37 -4.659 -4.684 1.864 1.00 0.00 C ATOM 585 O GLN A 37 -3.730 -5.038 2.564 1.00 0.00 O ATOM 586 CB GLN A 37 -6.552 -6.286 2.241 1.00 0.00 C ATOM 587 CG GLN A 37 -7.592 -5.230 2.635 1.00 0.00 C ATOM 588 CD GLN A 37 -8.735 -5.899 3.401 1.00 0.00 C ATOM 589 OE1 GLN A 37 -9.214 -5.372 4.384 1.00 0.00 O ATOM 590 NE2 GLN A 37 -9.195 -7.049 2.987 1.00 0.00 N ATOM 0 H GLN A 37 -4.080 -7.214 1.254 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.162 -5.208 0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.050 -7.167 1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.997 -6.610 3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.128 -4.460 3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.978 -4.735 1.744 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.792 -7.492 2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.957 -7.504 3.490 1.00 0.00 H new ATOM 599 N PHE A 38 -4.894 -3.417 1.627 1.00 0.00 N ATOM 600 CA PHE A 38 -4.019 -2.350 2.211 1.00 0.00 C ATOM 601 C PHE A 38 -4.673 -1.706 3.442 1.00 0.00 C ATOM 602 O PHE A 38 -5.827 -1.325 3.426 1.00 0.00 O ATOM 603 CB PHE A 38 -3.804 -1.251 1.149 1.00 0.00 C ATOM 604 CG PHE A 38 -2.565 -1.525 0.325 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.462 -2.701 -0.420 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.524 -0.587 0.291 1.00 0.00 C ATOM 607 CE1 PHE A 38 -1.328 -2.936 -1.190 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.385 -0.829 -0.481 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.288 -2.005 -1.224 1.00 0.00 C ATOM 0 H PHE A 38 -5.661 -3.072 1.049 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.075 -2.805 2.511 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.675 -1.197 0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.712 -0.281 1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.261 -3.427 -0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.603 0.326 0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.251 -3.846 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.418 -0.107 -0.502 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.589 -2.195 -1.824 1.00 0.00 H new ATOM 619 N VAL A 39 -3.906 -1.530 4.485 1.00 0.00 N ATOM 620 CA VAL A 39 -4.417 -0.846 5.714 1.00 0.00 C ATOM 621 C VAL A 39 -3.313 0.112 6.178 1.00 0.00 C ATOM 622 O VAL A 39 -2.220 -0.302 6.504 1.00 0.00 O ATOM 623 CB VAL A 39 -4.735 -1.882 6.797 1.00 0.00 C ATOM 624 CG1 VAL A 39 -4.950 -1.180 8.143 1.00 0.00 C ATOM 625 CG2 VAL A 39 -6.011 -2.636 6.407 1.00 0.00 C ATOM 0 H VAL A 39 -2.934 -1.834 4.540 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.337 -0.298 5.511 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.903 -2.580 6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.176 -1.922 8.909 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.046 -0.638 8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.782 -0.480 8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.245 -3.376 7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.838 -1.931 6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.859 -3.138 5.452 1.00 0.00 H new ATOM 635 N TYR A 40 -3.575 1.399 6.158 1.00 0.00 N ATOM 636 CA TYR A 40 -2.520 2.397 6.540 1.00 0.00 C ATOM 637 C TYR A 40 -2.740 2.929 7.959 1.00 0.00 C ATOM 638 O TYR A 40 -3.820 2.858 8.513 1.00 0.00 O ATOM 639 CB TYR A 40 -2.587 3.588 5.573 1.00 0.00 C ATOM 640 CG TYR A 40 -1.967 3.227 4.243 1.00 0.00 C ATOM 641 CD1 TYR A 40 -0.575 3.162 4.116 1.00 0.00 C ATOM 642 CD2 TYR A 40 -2.783 2.978 3.133 1.00 0.00 C ATOM 643 CE1 TYR A 40 0.002 2.848 2.880 1.00 0.00 C ATOM 644 CE2 TYR A 40 -2.205 2.668 1.896 1.00 0.00 C ATOM 645 CZ TYR A 40 -0.814 2.603 1.769 1.00 0.00 C ATOM 646 OH TYR A 40 -0.250 2.301 0.547 1.00 0.00 O ATOM 0 H TYR A 40 -4.474 1.802 5.894 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.552 1.898 6.494 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.625 3.888 5.427 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.066 4.443 6.004 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.055 3.354 4.972 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.858 3.025 3.231 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.076 2.795 2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.834 2.479 1.039 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.243 1.329 0.421 1.00 0.00 H new ATOM 656 N SER A 41 -1.702 3.482 8.531 1.00 0.00 N ATOM 657 CA SER A 41 -1.795 4.056 9.901 1.00 0.00 C ATOM 658 C SER A 41 -0.508 4.834 10.196 1.00 0.00 C ATOM 659 O SER A 41 0.502 4.629 9.553 1.00 0.00 O ATOM 660 CB SER A 41 -1.951 2.928 10.912 1.00 0.00 C ATOM 661 OG SER A 41 -1.872 3.460 12.228 1.00 0.00 O ATOM 0 H SER A 41 -0.782 3.560 8.098 1.00 0.00 H new ATOM 0 HA SER A 41 -2.655 4.722 9.970 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.907 2.425 10.768 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.172 2.180 10.763 1.00 0.00 H new ATOM 0 HG SER A 41 -1.128 3.039 12.707 1.00 0.00 H new ATOM 667 N TRP A 42 -0.528 5.721 11.163 1.00 0.00 N ATOM 668 CA TRP A 42 0.701 6.508 11.499 1.00 0.00 C ATOM 669 C TRP A 42 1.277 5.982 12.813 1.00 0.00 C ATOM 670 O TRP A 42 2.464 6.055 13.060 1.00 0.00 O ATOM 671 CB TRP A 42 0.323 7.983 11.688 1.00 0.00 C ATOM 672 CG TRP A 42 0.043 8.612 10.363 1.00 0.00 C ATOM 673 CD1 TRP A 42 -1.164 9.071 9.963 1.00 0.00 C ATOM 674 CD2 TRP A 42 0.964 8.870 9.265 1.00 0.00 C ATOM 675 NE1 TRP A 42 -1.044 9.597 8.691 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.248 9.493 8.215 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.336 8.623 9.077 1.00 0.00 C ATOM 678 CZ2 TRP A 42 0.872 9.862 7.024 1.00 0.00 C ATOM 679 CZ3 TRP A 42 2.967 8.993 7.878 1.00 0.00 C ATOM 680 CH2 TRP A 42 2.236 9.611 6.853 1.00 0.00 C ATOM 0 H TRP A 42 -1.345 5.934 11.735 1.00 0.00 H new ATOM 0 HA TRP A 42 1.432 6.411 10.696 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.554 8.063 12.330 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.133 8.514 12.188 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.074 9.033 10.543 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.815 10.011 8.168 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.908 8.146 9.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.305 10.339 6.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.021 8.800 7.745 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.727 9.892 5.933 1.00 0.00 H new ATOM 691 N LYS A 43 0.428 5.474 13.673 1.00 0.00 N ATOM 692 CA LYS A 43 0.894 4.961 14.994 1.00 0.00 C ATOM 693 C LYS A 43 0.985 3.434 14.961 1.00 0.00 C ATOM 694 O LYS A 43 0.116 2.763 14.439 1.00 0.00 O ATOM 695 CB LYS A 43 -0.122 5.380 16.063 1.00 0.00 C ATOM 696 CG LYS A 43 -0.332 6.906 16.032 1.00 0.00 C ATOM 697 CD LYS A 43 -1.710 7.271 16.615 1.00 0.00 C ATOM 698 CE LYS A 43 -1.960 6.535 17.941 1.00 0.00 C ATOM 699 NZ LYS A 43 -2.577 5.209 17.660 1.00 0.00 N ATOM 0 H LYS A 43 -0.576 5.393 13.512 1.00 0.00 H new ATOM 0 HA LYS A 43 1.879 5.371 15.220 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.071 4.872 15.892 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.230 5.074 17.048 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.454 7.399 16.604 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.256 7.269 15.007 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.767 8.348 16.776 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.491 7.014 15.900 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.022 6.405 18.481 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.616 7.126 18.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.449 5.107 18.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.803 5.139 16.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.910 4.454 17.919 1.00 0.00 H new ATOM 713 N LEU A 44 2.018 2.875 15.533 1.00 0.00 N ATOM 714 CA LEU A 44 2.146 1.387 15.554 1.00 0.00 C ATOM 715 C LEU A 44 1.352 0.857 16.749 1.00 0.00 C ATOM 716 O LEU A 44 0.914 -0.272 16.770 1.00 0.00 O ATOM 717 CB LEU A 44 3.625 1.004 15.684 1.00 0.00 C ATOM 718 CG LEU A 44 3.774 -0.512 15.883 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.072 -1.266 14.746 1.00 0.00 C ATOM 720 CD2 LEU A 44 5.264 -0.870 15.889 1.00 0.00 C ATOM 0 H LEU A 44 2.778 3.383 15.986 1.00 0.00 H new ATOM 0 HA LEU A 44 1.757 0.954 14.632 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.167 1.314 14.790 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.071 1.533 16.527 1.00 0.00 H new ATOM 0 HG LEU A 44 3.317 -0.798 16.830 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.184 -2.340 14.898 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.013 -1.009 14.739 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.520 -0.985 13.793 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.379 -1.945 16.030 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.712 -0.578 14.939 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.762 -0.342 16.702 1.00 0.00 H new ATOM 732 N VAL A 45 1.149 1.686 17.738 1.00 0.00 N ATOM 733 CA VAL A 45 0.366 1.270 18.940 1.00 0.00 C ATOM 734 C VAL A 45 -0.421 2.487 19.426 1.00 0.00 C ATOM 735 O VAL A 45 -0.090 3.613 19.115 1.00 0.00 O ATOM 736 CB VAL A 45 1.312 0.738 20.029 1.00 0.00 C ATOM 737 CG1 VAL A 45 2.444 -0.056 19.375 1.00 0.00 C ATOM 738 CG2 VAL A 45 1.905 1.898 20.834 1.00 0.00 C ATOM 0 H VAL A 45 1.496 2.645 17.765 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.325 0.464 18.695 1.00 0.00 H new ATOM 0 HB VAL A 45 0.747 0.093 20.702 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.116 -0.434 20.146 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.026 -0.893 18.816 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.998 0.592 18.697 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.572 1.505 21.601 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.465 2.555 20.168 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.101 2.461 21.307 1.00 0.00 H new ATOM 748 N ALA A 46 -1.481 2.275 20.146 1.00 0.00 N ATOM 749 CA ALA A 46 -2.301 3.429 20.598 1.00 0.00 C ATOM 750 C ALA A 46 -1.605 4.186 21.731 1.00 0.00 C ATOM 751 O ALA A 46 -2.124 4.321 22.820 1.00 0.00 O ATOM 752 CB ALA A 46 -3.671 2.920 21.045 1.00 0.00 C ATOM 0 H ALA A 46 -1.815 1.358 20.441 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.426 4.127 19.770 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.280 3.760 21.379 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.165 2.423 20.210 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.547 2.214 21.866 1.00 0.00 H new ATOM 758 N THR A 47 -0.444 4.718 21.458 1.00 0.00 N ATOM 759 CA THR A 47 0.291 5.518 22.483 1.00 0.00 C ATOM 760 C THR A 47 1.065 6.614 21.753 1.00 0.00 C ATOM 761 O THR A 47 1.234 7.711 22.249 1.00 0.00 O ATOM 762 CB THR A 47 1.269 4.650 23.281 1.00 0.00 C ATOM 763 OG1 THR A 47 2.228 4.076 22.407 1.00 0.00 O ATOM 764 CG2 THR A 47 0.513 3.549 24.036 1.00 0.00 C ATOM 0 H THR A 47 0.032 4.632 20.560 1.00 0.00 H new ATOM 0 HA THR A 47 -0.425 5.940 23.188 1.00 0.00 H new ATOM 0 HB THR A 47 1.783 5.277 24.009 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.852 3.524 22.923 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.222 2.941 24.598 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.200 4.003 24.723 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.020 2.919 23.324 1.00 0.00 H new ATOM 772 N ASP A 48 1.525 6.325 20.565 1.00 0.00 N ATOM 773 CA ASP A 48 2.274 7.338 19.778 1.00 0.00 C ATOM 774 C ASP A 48 1.315 8.462 19.374 1.00 0.00 C ATOM 775 O ASP A 48 0.203 8.540 19.858 1.00 0.00 O ATOM 776 CB ASP A 48 2.851 6.666 18.524 1.00 0.00 C ATOM 777 CG ASP A 48 4.136 5.915 18.886 1.00 0.00 C ATOM 778 OD1 ASP A 48 4.988 6.512 19.522 1.00 0.00 O ATOM 779 OD2 ASP A 48 4.245 4.757 18.519 1.00 0.00 O ATOM 0 H ASP A 48 1.411 5.422 20.105 1.00 0.00 H new ATOM 0 HA ASP A 48 3.088 7.754 20.372 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.121 5.975 18.101 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.059 7.416 17.761 1.00 0.00 H new ATOM 784 N ARG A 49 1.735 9.337 18.494 1.00 0.00 N ATOM 785 CA ARG A 49 0.850 10.466 18.057 1.00 0.00 C ATOM 786 C ARG A 49 0.983 10.657 16.539 1.00 0.00 C ATOM 787 O ARG A 49 1.425 9.776 15.832 1.00 0.00 O ATOM 788 CB ARG A 49 1.277 11.752 18.780 1.00 0.00 C ATOM 789 CG ARG A 49 0.860 11.691 20.260 1.00 0.00 C ATOM 790 CD ARG A 49 -0.633 12.047 20.424 1.00 0.00 C ATOM 791 NE ARG A 49 -0.747 13.413 21.008 1.00 0.00 N ATOM 792 CZ ARG A 49 -1.891 14.041 20.987 1.00 0.00 C ATOM 793 NH1 ARG A 49 -2.939 13.471 20.457 1.00 0.00 N ATOM 794 NH2 ARG A 49 -1.988 15.238 21.498 1.00 0.00 N ATOM 0 H ARG A 49 2.656 9.319 18.057 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.187 10.239 18.303 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.357 11.880 18.704 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.819 12.617 18.301 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.046 10.692 20.654 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.469 12.382 20.843 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.137 12.008 19.458 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.124 11.320 21.070 1.00 0.00 H new ATOM 0 HE ARG A 49 0.071 13.858 21.425 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.864 12.535 20.059 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.833 13.962 20.441 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.170 15.683 21.914 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.882 15.729 21.481 1.00 0.00 H new ATOM 808 N VAL A 50 0.605 11.808 16.042 1.00 0.00 N ATOM 809 CA VAL A 50 0.699 12.083 14.575 1.00 0.00 C ATOM 810 C VAL A 50 0.842 13.608 14.393 1.00 0.00 C ATOM 811 O VAL A 50 0.130 14.361 15.028 1.00 0.00 O ATOM 812 CB VAL A 50 -0.592 11.623 13.879 1.00 0.00 C ATOM 813 CG1 VAL A 50 -0.829 10.134 14.144 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.779 12.427 14.420 1.00 0.00 C ATOM 0 H VAL A 50 0.231 12.578 16.597 1.00 0.00 H new ATOM 0 HA VAL A 50 1.549 11.553 14.145 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.494 11.786 12.806 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.746 9.817 13.647 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.011 9.557 13.757 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.921 9.966 15.217 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.695 12.101 13.926 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.869 12.265 15.494 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.619 13.487 14.225 1.00 0.00 H new ATOM 824 N PRO A 51 1.745 14.081 13.557 1.00 0.00 N ATOM 825 CA PRO A 51 1.935 15.546 13.350 1.00 0.00 C ATOM 826 C PRO A 51 0.622 16.325 13.372 1.00 0.00 C ATOM 827 O PRO A 51 -0.424 15.826 13.019 1.00 0.00 O ATOM 828 CB PRO A 51 2.613 15.620 11.984 1.00 0.00 C ATOM 829 CG PRO A 51 3.450 14.381 11.928 1.00 0.00 C ATOM 830 CD PRO A 51 2.682 13.303 12.719 1.00 0.00 C ATOM 0 HA PRO A 51 2.520 16.002 14.149 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.882 15.645 11.176 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.223 16.518 11.889 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.610 14.066 10.897 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.433 14.556 12.364 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.152 12.621 12.054 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.354 12.698 13.327 1.00 0.00 H new ATOM 838 N ALA A 52 0.674 17.543 13.816 1.00 0.00 N ATOM 839 CA ALA A 52 -0.554 18.374 13.884 1.00 0.00 C ATOM 840 C ALA A 52 -1.114 18.597 12.473 1.00 0.00 C ATOM 841 O ALA A 52 -0.416 19.053 11.589 1.00 0.00 O ATOM 842 CB ALA A 52 -0.199 19.716 14.523 1.00 0.00 C ATOM 0 H ALA A 52 1.524 18.005 14.139 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.312 17.868 14.481 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.091 20.339 14.580 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.192 19.549 15.527 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.556 20.218 13.918 1.00 0.00 H new ATOM 848 N GLY A 53 -2.373 18.301 12.260 1.00 0.00 N ATOM 849 CA GLY A 53 -2.991 18.518 10.909 1.00 0.00 C ATOM 850 C GLY A 53 -3.177 17.186 10.176 1.00 0.00 C ATOM 851 O GLY A 53 -3.742 17.139 9.102 1.00 0.00 O ATOM 0 H GLY A 53 -3.003 17.917 12.964 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.955 19.015 11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.358 19.179 10.317 1.00 0.00 H new ATOM 855 N LYS A 54 -2.709 16.103 10.734 1.00 0.00 N ATOM 856 CA LYS A 54 -2.867 14.787 10.052 1.00 0.00 C ATOM 857 C LYS A 54 -4.231 14.198 10.422 1.00 0.00 C ATOM 858 O LYS A 54 -4.861 14.619 11.371 1.00 0.00 O ATOM 859 CB LYS A 54 -1.770 13.821 10.525 1.00 0.00 C ATOM 860 CG LYS A 54 -0.384 14.490 10.478 1.00 0.00 C ATOM 861 CD LYS A 54 0.203 14.467 9.053 1.00 0.00 C ATOM 862 CE LYS A 54 1.075 13.223 8.850 1.00 0.00 C ATOM 863 NZ LYS A 54 0.286 11.997 9.149 1.00 0.00 N ATOM 0 H LYS A 54 -2.225 16.072 11.631 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.791 14.927 8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.984 13.492 11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.769 12.931 9.896 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.464 15.521 10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.293 13.976 11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.604 14.475 8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.796 15.366 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.442 13.189 7.824 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.949 13.271 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.791 11.162 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.159 11.908 10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.645 12.063 8.690 1.00 0.00 H new ATOM 877 N ARG A 55 -4.691 13.218 9.690 1.00 0.00 N ATOM 878 CA ARG A 55 -6.006 12.601 10.019 1.00 0.00 C ATOM 879 C ARG A 55 -5.806 11.632 11.186 1.00 0.00 C ATOM 880 O ARG A 55 -5.140 10.623 11.063 1.00 0.00 O ATOM 881 CB ARG A 55 -6.542 11.841 8.795 1.00 0.00 C ATOM 882 CG ARG A 55 -7.250 12.813 7.829 1.00 0.00 C ATOM 883 CD ARG A 55 -8.717 12.992 8.240 1.00 0.00 C ATOM 884 NE ARG A 55 -9.403 11.670 8.229 1.00 0.00 N ATOM 885 CZ ARG A 55 -10.548 11.525 8.839 1.00 0.00 C ATOM 886 NH1 ARG A 55 -11.087 12.534 9.466 1.00 0.00 N ATOM 887 NH2 ARG A 55 -11.153 10.368 8.825 1.00 0.00 N ATOM 0 H ARG A 55 -4.214 12.820 8.881 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.725 13.373 10.294 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.721 11.340 8.281 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.237 11.065 9.116 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.743 13.778 7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.194 12.430 6.810 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.775 13.435 9.234 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.216 13.678 7.555 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.979 10.879 7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.614 13.437 9.480 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.982 12.419 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.731 9.578 8.338 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.048 10.255 9.302 1.00 0.00 H new ATOM 901 N ASP A 56 -6.362 11.941 12.323 1.00 0.00 N ATOM 902 CA ASP A 56 -6.194 11.053 13.505 1.00 0.00 C ATOM 903 C ASP A 56 -6.719 9.651 13.194 1.00 0.00 C ATOM 904 O ASP A 56 -7.513 9.454 12.295 1.00 0.00 O ATOM 905 CB ASP A 56 -6.963 11.634 14.693 1.00 0.00 C ATOM 906 CG ASP A 56 -6.326 12.959 15.114 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.350 13.884 14.318 1.00 0.00 O ATOM 908 OD2 ASP A 56 -5.824 13.028 16.223 1.00 0.00 O ATOM 0 H ASP A 56 -6.928 12.774 12.485 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.134 10.987 13.750 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.007 11.790 14.423 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.951 10.931 15.526 1.00 0.00 H new ATOM 913 N ALA A 57 -6.276 8.679 13.941 1.00 0.00 N ATOM 914 CA ALA A 57 -6.731 7.280 13.717 1.00 0.00 C ATOM 915 C ALA A 57 -6.232 6.417 14.872 1.00 0.00 C ATOM 916 O ALA A 57 -5.338 6.799 15.601 1.00 0.00 O ATOM 917 CB ALA A 57 -6.145 6.746 12.401 1.00 0.00 C ATOM 0 H ALA A 57 -5.611 8.796 14.705 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.819 7.251 13.662 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.481 5.721 12.242 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.481 7.371 11.573 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.056 6.767 12.453 1.00 0.00 H new ATOM 923 N ILE A 58 -6.775 5.248 15.030 1.00 0.00 N ATOM 924 CA ILE A 58 -6.298 4.363 16.115 1.00 0.00 C ATOM 925 C ILE A 58 -4.910 3.886 15.725 1.00 0.00 C ATOM 926 O ILE A 58 -4.287 4.437 14.839 1.00 0.00 O ATOM 927 CB ILE A 58 -7.234 3.157 16.234 1.00 0.00 C ATOM 928 CG1 ILE A 58 -7.185 2.341 14.929 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.663 3.640 16.479 1.00 0.00 C ATOM 930 CD1 ILE A 58 -8.300 1.276 14.901 1.00 0.00 C ATOM 0 H ILE A 58 -7.527 4.869 14.455 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.277 4.889 17.069 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.916 2.531 17.068 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.293 3.009 14.074 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.213 1.857 14.835 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.328 2.781 16.563 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.698 4.218 17.402 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.983 4.266 15.646 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.243 0.714 13.969 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.175 0.596 15.743 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.272 1.765 14.971 1.00 0.00 H new ATOM 942 N SER A 59 -4.425 2.859 16.353 1.00 0.00 N ATOM 943 CA SER A 59 -3.080 2.339 15.989 1.00 0.00 C ATOM 944 C SER A 59 -3.253 1.178 15.026 1.00 0.00 C ATOM 945 O SER A 59 -4.283 0.535 14.986 1.00 0.00 O ATOM 946 CB SER A 59 -2.365 1.856 17.239 1.00 0.00 C ATOM 947 OG SER A 59 -2.754 0.519 17.520 1.00 0.00 O ATOM 0 H SER A 59 -4.899 2.355 17.103 1.00 0.00 H new ATOM 0 HA SER A 59 -2.490 3.128 15.522 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.286 1.910 17.097 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.608 2.502 18.083 1.00 0.00 H new ATOM 0 HG SER A 59 -2.563 0.313 18.459 1.00 0.00 H new ATOM 953 N LEU A 60 -2.259 0.907 14.244 1.00 0.00 N ATOM 954 CA LEU A 60 -2.371 -0.205 13.276 1.00 0.00 C ATOM 955 C LEU A 60 -2.818 -1.476 14.008 1.00 0.00 C ATOM 956 O LEU A 60 -3.611 -2.247 13.506 1.00 0.00 O ATOM 957 CB LEU A 60 -1.001 -0.442 12.636 1.00 0.00 C ATOM 958 CG LEU A 60 -1.039 -1.654 11.699 1.00 0.00 C ATOM 959 CD1 LEU A 60 -2.207 -1.524 10.705 1.00 0.00 C ATOM 960 CD2 LEU A 60 0.297 -1.743 10.934 1.00 0.00 C ATOM 0 H LEU A 60 -1.371 1.408 14.232 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.102 0.044 12.507 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.697 0.444 12.079 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.254 -0.602 13.414 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.186 -2.560 12.287 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.222 -2.392 10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.147 -1.469 11.254 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.080 -0.619 10.111 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.277 -2.604 10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.444 -0.834 10.351 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.116 -1.855 11.644 1.00 0.00 H new ATOM 972 N ARG A 61 -2.301 -1.705 15.187 1.00 0.00 N ATOM 973 CA ARG A 61 -2.675 -2.928 15.954 1.00 0.00 C ATOM 974 C ARG A 61 -4.187 -2.944 16.229 1.00 0.00 C ATOM 975 O ARG A 61 -4.789 -3.996 16.298 1.00 0.00 O ATOM 976 CB ARG A 61 -1.877 -2.944 17.280 1.00 0.00 C ATOM 977 CG ARG A 61 -0.713 -3.946 17.196 1.00 0.00 C ATOM 978 CD ARG A 61 0.262 -3.528 16.093 1.00 0.00 C ATOM 979 NE ARG A 61 1.576 -4.238 16.270 1.00 0.00 N ATOM 980 CZ ARG A 61 2.291 -4.106 17.358 1.00 0.00 C ATOM 981 NH1 ARG A 61 1.973 -3.219 18.261 1.00 0.00 N ATOM 982 NH2 ARG A 61 3.363 -4.834 17.517 1.00 0.00 N ATOM 0 H ARG A 61 -1.632 -1.093 15.653 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.433 -3.818 15.373 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.492 -1.947 17.491 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.537 -3.212 18.105 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.193 -3.993 18.153 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.097 -4.946 16.993 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.159 -3.764 15.116 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.416 -2.449 16.122 1.00 0.00 H new ATOM 0 HE ARG A 61 1.919 -4.839 15.521 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.159 -2.619 18.123 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.538 -3.125 19.105 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.639 -5.500 16.796 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.925 -4.736 18.363 1.00 0.00 H new ATOM 996 N GLU A 62 -4.817 -1.808 16.381 1.00 0.00 N ATOM 997 CA GLU A 62 -6.283 -1.831 16.640 1.00 0.00 C ATOM 998 C GLU A 62 -6.998 -2.160 15.328 1.00 0.00 C ATOM 999 O GLU A 62 -7.944 -2.923 15.299 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.749 -0.479 17.180 1.00 0.00 C ATOM 1001 CG GLU A 62 -6.085 -0.210 18.535 1.00 0.00 C ATOM 1002 CD GLU A 62 -6.837 0.908 19.264 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -7.900 0.631 19.796 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -6.335 2.020 19.280 1.00 0.00 O ATOM 0 H GLU A 62 -4.388 -0.883 16.338 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.518 -2.587 17.389 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.494 0.313 16.475 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.834 -0.473 17.288 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.088 -1.117 19.139 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.043 0.074 18.390 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.530 -1.622 14.232 1.00 0.00 N ATOM 1012 CA LYS A 63 -7.165 -1.945 12.925 1.00 0.00 C ATOM 1013 C LYS A 63 -6.915 -3.422 12.641 1.00 0.00 C ATOM 1014 O LYS A 63 -7.826 -4.182 12.388 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.544 -1.094 11.811 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.969 0.368 11.979 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.693 1.143 10.688 1.00 0.00 C ATOM 1018 CE LYS A 63 -6.748 2.648 10.970 1.00 0.00 C ATOM 1019 NZ LYS A 63 -6.963 3.383 9.692 1.00 0.00 N ATOM 0 H LYS A 63 -5.741 -0.977 14.187 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.234 -1.734 12.962 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.457 -1.173 11.843 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.862 -1.465 10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.029 0.421 12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.426 0.821 12.808 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.714 0.873 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.429 0.878 9.929 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.554 2.869 11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.820 2.976 11.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.001 4.405 9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.179 3.180 9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.859 3.077 9.262 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.679 -3.832 12.707 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.346 -5.262 12.468 1.00 0.00 C ATOM 1035 C ILE A 64 -6.237 -6.124 13.373 1.00 0.00 C ATOM 1036 O ILE A 64 -6.726 -7.164 12.977 1.00 0.00 O ATOM 1037 CB ILE A 64 -3.845 -5.486 12.787 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -3.007 -5.152 11.541 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.572 -6.943 13.204 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.509 -5.190 11.875 1.00 0.00 C ATOM 0 H ILE A 64 -4.881 -3.233 12.918 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.524 -5.539 11.429 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.571 -4.835 13.617 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.227 -5.865 10.746 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.277 -4.164 11.167 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.511 -7.067 13.421 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.154 -7.182 14.094 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.857 -7.613 12.393 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.931 -4.951 10.982 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.291 -4.460 12.654 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.240 -6.186 12.226 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.441 -5.696 14.590 1.00 0.00 N ATOM 1053 CA ALA A 65 -7.289 -6.483 15.534 1.00 0.00 C ATOM 1054 C ALA A 65 -8.661 -6.749 14.913 1.00 0.00 C ATOM 1055 O ALA A 65 -9.251 -7.789 15.123 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.469 -5.697 16.832 1.00 0.00 C ATOM 0 H ALA A 65 -6.056 -4.833 14.973 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.799 -7.434 15.741 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.088 -6.271 17.522 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.495 -5.514 17.285 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.953 -4.745 16.616 1.00 0.00 H new ATOM 1062 N GLU A 66 -9.181 -5.822 14.156 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.519 -6.038 13.538 1.00 0.00 C ATOM 1064 C GLU A 66 -10.394 -7.063 12.411 1.00 0.00 C ATOM 1065 O GLU A 66 -11.283 -7.854 12.170 1.00 0.00 O ATOM 1066 CB GLU A 66 -11.040 -4.715 12.973 1.00 0.00 C ATOM 1067 CG GLU A 66 -11.064 -3.661 14.083 1.00 0.00 C ATOM 1068 CD GLU A 66 -11.785 -2.408 13.583 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -12.784 -2.557 12.898 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -11.327 -1.322 13.893 1.00 0.00 O ATOM 0 H GLU A 66 -8.739 -4.928 13.940 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.215 -6.407 14.291 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.403 -4.381 12.154 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.041 -4.851 12.564 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.569 -4.057 14.964 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.047 -3.412 14.384 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.289 -7.051 11.723 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.085 -8.019 10.609 1.00 0.00 C ATOM 1079 C LEU A 67 -8.913 -9.422 11.189 1.00 0.00 C ATOM 1080 O LEU A 67 -9.120 -10.414 10.519 1.00 0.00 O ATOM 1081 CB LEU A 67 -7.829 -7.630 9.821 1.00 0.00 C ATOM 1082 CG LEU A 67 -7.816 -6.114 9.590 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -6.533 -5.712 8.856 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.038 -5.714 8.754 1.00 0.00 C ATOM 0 H LEU A 67 -8.513 -6.409 11.884 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.948 -8.003 9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.936 -7.932 10.368 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.810 -8.154 8.865 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.852 -5.602 10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.529 -4.634 8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.667 -5.992 9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.489 -6.223 7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.029 -4.637 8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.006 -6.228 7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.949 -5.993 9.284 1.00 0.00 H new ATOM 1096 N GLN A 68 -8.535 -9.509 12.435 1.00 0.00 N ATOM 1097 CA GLN A 68 -8.346 -10.843 13.071 1.00 0.00 C ATOM 1098 C GLN A 68 -9.708 -11.384 13.516 1.00 0.00 C ATOM 1099 O GLN A 68 -9.798 -12.391 14.189 1.00 0.00 O ATOM 1100 CB GLN A 68 -7.416 -10.698 14.283 1.00 0.00 C ATOM 1101 CG GLN A 68 -5.959 -10.644 13.816 1.00 0.00 C ATOM 1102 CD GLN A 68 -5.040 -10.526 15.034 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -5.277 -11.149 16.049 1.00 0.00 O ATOM 1104 NE2 GLN A 68 -3.995 -9.747 14.976 1.00 0.00 N ATOM 0 H GLN A 68 -8.348 -8.711 13.042 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.899 -11.537 12.359 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.664 -9.792 14.837 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.558 -11.537 14.964 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.714 -11.541 13.247 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.810 -9.794 13.150 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.796 -9.224 14.123 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.377 -9.661 15.783 1.00 0.00 H new