USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 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 56 LYS NZ :NH3+ -179:sc= 0.901 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 79:sc= 2.04 USER MOD Single : A 6 THR OG1 : rot 24:sc= 0.248 USER MOD Single : A 8 GLN : amide:sc= 0.428 X(o=0.43,f=-0.053) USER MOD Single : A 15 GLN : amide:sc= 0.863 K(o=0.86,f=-0.99) USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= -0.0196 (180deg=-0.239) USER MOD Single : A 19 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0877 X(o=-0.088,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0029 (180deg=-0.162) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -27:sc= 0.224 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 10:sc= 0.991 USER MOD Single : A 75 TYR OH : rot 57:sc= 0.136 USER MOD Single : A 80 ASN : amide:sc=-0.00914 K(o=-0.0091,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.0126 (180deg=-0.176) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.183 -6.104 1.615 1.00 0.00 N ATOM 83 CA THR A 6 9.860 -6.845 2.826 1.00 0.00 C ATOM 84 C THR A 6 10.949 -7.883 3.075 1.00 0.00 C ATOM 85 O THR A 6 11.837 -8.056 2.242 1.00 0.00 O ATOM 86 CB THR A 6 8.479 -7.492 2.654 1.00 0.00 C ATOM 87 OG1 THR A 6 7.541 -6.514 2.259 1.00 0.00 O ATOM 88 CG2 THR A 6 7.971 -8.129 3.945 1.00 0.00 C ATOM 0 HA THR A 6 9.820 -6.186 3.693 1.00 0.00 H new ATOM 0 HB THR A 6 8.588 -8.270 1.898 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.008 -5.768 1.829 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.991 -8.573 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.668 -8.903 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.891 -7.367 4.720 1.00 0.00 H new ATOM 96 N ASP A 7 10.892 -8.581 4.214 1.00 0.00 N ATOM 97 CA ASP A 7 11.896 -9.573 4.590 1.00 0.00 C ATOM 98 C ASP A 7 12.084 -10.648 3.518 1.00 0.00 C ATOM 99 O ASP A 7 13.086 -11.358 3.526 1.00 0.00 O ATOM 100 CB ASP A 7 11.496 -10.201 5.924 1.00 0.00 C ATOM 101 CG ASP A 7 10.161 -10.932 5.845 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.151 -12.074 5.334 1.00 0.00 O ATOM 103 OD2 ASP A 7 9.153 -10.342 6.296 1.00 0.00 O ATOM 0 H ASP A 7 10.145 -8.471 4.900 1.00 0.00 H new ATOM 0 HA ASP A 7 12.857 -9.068 4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.271 -10.899 6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.437 -9.423 6.685 1.00 0.00 H new ATOM 108 N GLN A 8 11.132 -10.777 2.592 1.00 0.00 N ATOM 109 CA GLN A 8 11.241 -11.734 1.504 1.00 0.00 C ATOM 110 C GLN A 8 12.386 -11.345 0.570 1.00 0.00 C ATOM 111 O GLN A 8 13.265 -12.159 0.288 1.00 0.00 O ATOM 112 CB GLN A 8 9.912 -11.766 0.747 1.00 0.00 C ATOM 113 CG GLN A 8 9.974 -12.662 -0.495 1.00 0.00 C ATOM 114 CD GLN A 8 10.293 -14.109 -0.143 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.392 -14.923 0.043 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.577 -14.449 -0.049 1.00 0.00 N ATOM 0 H GLN A 8 10.275 -10.225 2.580 1.00 0.00 H new ATOM 0 HA GLN A 8 11.457 -12.726 1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.126 -12.124 1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.641 -10.753 0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.020 -12.619 -1.020 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.732 -12.280 -1.179 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.303 -13.750 -0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.835 -15.408 0.183 1.00 0.00 H new ATOM 125 N VAL A 9 12.379 -10.100 0.090 1.00 0.00 N ATOM 126 CA VAL A 9 13.369 -9.613 -0.863 1.00 0.00 C ATOM 127 C VAL A 9 14.617 -9.117 -0.134 1.00 0.00 C ATOM 128 O VAL A 9 15.703 -9.122 -0.707 1.00 0.00 O ATOM 129 CB VAL A 9 12.729 -8.525 -1.737 1.00 0.00 C ATOM 130 CG1 VAL A 9 12.036 -7.461 -0.887 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.765 -7.845 -2.629 1.00 0.00 C ATOM 0 H VAL A 9 11.684 -9.402 0.354 1.00 0.00 H new ATOM 0 HA VAL A 9 13.693 -10.424 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 9 11.988 -9.025 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.594 -6.707 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.254 -7.927 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.765 -6.990 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.278 -7.080 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.532 -7.382 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.225 -8.586 -3.282 1.00 0.00 H new ATOM 141 N LEU A 10 14.478 -8.694 1.126 1.00 0.00 N ATOM 142 CA LEU A 10 15.621 -8.255 1.909 1.00 0.00 C ATOM 143 C LEU A 10 16.510 -9.432 2.282 1.00 0.00 C ATOM 144 O LEU A 10 17.711 -9.245 2.447 1.00 0.00 O ATOM 145 CB LEU A 10 15.127 -7.520 3.159 1.00 0.00 C ATOM 146 CG LEU A 10 15.066 -6.006 2.937 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.199 -5.619 1.744 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.492 -5.337 4.187 1.00 0.00 C ATOM 0 H LEU A 10 13.586 -8.649 1.618 1.00 0.00 H new ATOM 0 HA LEU A 10 16.223 -7.572 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.138 -7.888 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.790 -7.739 3.996 1.00 0.00 H new ATOM 0 HG LEU A 10 16.083 -5.671 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.193 -4.534 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.603 -6.072 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.181 -5.973 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.446 -4.259 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.489 -5.719 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.131 -5.555 5.043 1.00 0.00 H new ATOM 160 N VAL A 11 15.956 -10.643 2.416 1.00 0.00 N ATOM 161 CA VAL A 11 16.788 -11.805 2.713 1.00 0.00 C ATOM 162 C VAL A 11 17.410 -12.346 1.426 1.00 0.00 C ATOM 163 O VAL A 11 18.486 -12.935 1.462 1.00 0.00 O ATOM 164 CB VAL A 11 15.984 -12.871 3.460 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.791 -14.161 3.594 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.670 -12.367 4.870 1.00 0.00 C ATOM 0 H VAL A 11 14.959 -10.838 2.325 1.00 0.00 H new ATOM 0 HA VAL A 11 17.602 -11.504 3.372 1.00 0.00 H new ATOM 0 HB VAL A 11 15.070 -13.067 2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.201 -14.906 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.040 -14.539 2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.709 -13.960 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.097 -13.123 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.601 -12.171 5.402 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.088 -11.448 4.807 1.00 0.00 H new ATOM 176 N GLU A 12 16.751 -12.155 0.280 1.00 0.00 N ATOM 177 CA GLU A 12 17.331 -12.571 -0.989 1.00 0.00 C ATOM 178 C GLU A 12 18.485 -11.650 -1.377 1.00 0.00 C ATOM 179 O GLU A 12 19.481 -12.106 -1.936 1.00 0.00 O ATOM 180 CB GLU A 12 16.261 -12.538 -2.080 1.00 0.00 C ATOM 181 CG GLU A 12 15.261 -13.676 -1.895 1.00 0.00 C ATOM 182 CD GLU A 12 14.221 -13.673 -3.013 1.00 0.00 C ATOM 183 OE1 GLU A 12 13.189 -12.984 -2.851 1.00 0.00 O ATOM 184 OE2 GLU A 12 14.464 -14.360 -4.031 1.00 0.00 O ATOM 0 H GLU A 12 15.830 -11.722 0.209 1.00 0.00 H new ATOM 0 HA GLU A 12 17.713 -13.586 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.739 -11.582 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.732 -12.618 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.787 -14.630 -1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.764 -13.576 -0.930 1.00 0.00 H new ATOM 191 N ARG A 13 18.362 -10.351 -1.082 1.00 0.00 N ATOM 192 CA ARG A 13 19.370 -9.376 -1.467 1.00 0.00 C ATOM 193 C ARG A 13 20.655 -9.541 -0.660 1.00 0.00 C ATOM 194 O ARG A 13 21.744 -9.363 -1.206 1.00 0.00 O ATOM 195 CB ARG A 13 18.760 -7.978 -1.328 1.00 0.00 C ATOM 196 CG ARG A 13 19.781 -6.901 -1.696 1.00 0.00 C ATOM 197 CD ARG A 13 19.105 -5.547 -1.901 1.00 0.00 C ATOM 198 NE ARG A 13 18.227 -5.545 -3.077 1.00 0.00 N ATOM 199 CZ ARG A 13 18.652 -5.509 -4.341 1.00 0.00 C ATOM 200 NH1 ARG A 13 19.949 -5.482 -4.638 1.00 0.00 N ATOM 201 NH2 ARG A 13 17.766 -5.498 -5.333 1.00 0.00 N ATOM 0 H ARG A 13 17.569 -9.957 -0.576 1.00 0.00 H new ATOM 0 HA ARG A 13 19.663 -9.534 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.886 -7.892 -1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.417 -7.826 -0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.530 -6.821 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.306 -7.190 -2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.524 -5.293 -1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.866 -4.775 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 13 17.220 -5.573 -2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.643 -5.489 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.249 -5.455 -5.613 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.768 -5.517 -5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.085 -5.470 -6.301 1.00 0.00 H new ATOM 215 N VAL A 14 20.555 -9.885 0.625 1.00 0.00 N ATOM 216 CA VAL A 14 21.742 -10.086 1.451 1.00 0.00 C ATOM 217 C VAL A 14 22.444 -11.387 1.083 1.00 0.00 C ATOM 218 O VAL A 14 23.642 -11.527 1.321 1.00 0.00 O ATOM 219 CB VAL A 14 21.378 -10.062 2.934 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.745 -8.724 3.290 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.406 -11.173 3.300 1.00 0.00 C ATOM 0 H VAL A 14 19.670 -10.029 1.112 1.00 0.00 H new ATOM 0 HA VAL A 14 22.434 -9.266 1.259 1.00 0.00 H new ATOM 0 HB VAL A 14 22.300 -10.212 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.488 -8.714 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.451 -7.920 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.843 -8.579 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.175 -11.118 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.489 -11.059 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.857 -12.140 3.076 1.00 0.00 H new ATOM 231 N GLN A 15 21.713 -12.344 0.498 1.00 0.00 N ATOM 232 CA GLN A 15 22.305 -13.577 0.004 1.00 0.00 C ATOM 233 C GLN A 15 23.001 -13.332 -1.335 1.00 0.00 C ATOM 234 O GLN A 15 23.832 -14.135 -1.755 1.00 0.00 O ATOM 235 CB GLN A 15 21.227 -14.652 -0.114 1.00 0.00 C ATOM 236 CG GLN A 15 20.763 -15.103 1.276 1.00 0.00 C ATOM 237 CD GLN A 15 19.617 -16.114 1.193 1.00 0.00 C ATOM 238 OE1 GLN A 15 19.050 -16.350 0.130 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.266 -16.719 2.321 1.00 0.00 N ATOM 0 H GLN A 15 20.705 -12.280 0.358 1.00 0.00 H new ATOM 0 HA GLN A 15 23.060 -13.926 0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.379 -14.264 -0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.616 -15.506 -0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.601 -15.547 1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.441 -14.235 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.755 -16.503 3.189 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.507 -17.400 2.319 1.00 0.00 H new ATOM 248 N LYS A 16 22.668 -12.223 -2.014 1.00 0.00 N ATOM 249 CA LYS A 16 23.361 -11.784 -3.218 1.00 0.00 C ATOM 250 C LYS A 16 24.658 -11.040 -2.890 1.00 0.00 C ATOM 251 O LYS A 16 25.417 -10.703 -3.796 1.00 0.00 O ATOM 252 CB LYS A 16 22.422 -10.900 -4.042 1.00 0.00 C ATOM 253 CG LYS A 16 22.193 -11.529 -5.415 1.00 0.00 C ATOM 254 CD LYS A 16 21.358 -12.812 -5.332 1.00 0.00 C ATOM 255 CE LYS A 16 19.903 -12.520 -4.947 1.00 0.00 C ATOM 256 NZ LYS A 16 19.204 -11.770 -6.008 1.00 0.00 N ATOM 0 H LYS A 16 21.904 -11.607 -1.735 1.00 0.00 H new ATOM 0 HA LYS A 16 23.640 -12.664 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.471 -10.781 -3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.851 -9.904 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.689 -10.811 -6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 16 23.155 -11.753 -5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.384 -13.325 -6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 16 21.800 -13.486 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.380 -13.458 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.879 -11.948 -4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.178 -11.807 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.520 -10.779 -5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.420 -12.194 -6.933 1.00 0.00 H new ATOM 270 N GLY A 17 24.914 -10.788 -1.601 1.00 0.00 N ATOM 271 CA GLY A 17 26.141 -10.154 -1.138 1.00 0.00 C ATOM 272 C GLY A 17 25.945 -8.690 -0.758 1.00 0.00 C ATOM 273 O GLY A 17 26.912 -8.024 -0.387 1.00 0.00 O ATOM 0 H GLY A 17 24.266 -11.023 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.523 -10.700 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.897 -10.223 -1.920 1.00 0.00 H new ATOM 277 N ASP A 18 24.714 -8.175 -0.842 1.00 0.00 N ATOM 278 CA ASP A 18 24.413 -6.808 -0.454 1.00 0.00 C ATOM 279 C ASP A 18 24.132 -6.758 1.047 1.00 0.00 C ATOM 280 O ASP A 18 22.978 -6.809 1.473 1.00 0.00 O ATOM 281 CB ASP A 18 23.209 -6.308 -1.257 1.00 0.00 C ATOM 282 CG ASP A 18 23.558 -5.895 -2.686 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.744 -5.589 -2.941 1.00 0.00 O ATOM 284 OD2 ASP A 18 22.625 -5.889 -3.520 1.00 0.00 O ATOM 0 H ASP A 18 23.906 -8.698 -1.180 1.00 0.00 H new ATOM 0 HA ASP A 18 25.263 -6.160 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.452 -7.092 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.765 -5.457 -0.740 1.00 0.00 H new ATOM 289 N GLN A 19 25.190 -6.663 1.858 1.00 0.00 N ATOM 290 CA GLN A 19 25.060 -6.601 3.305 1.00 0.00 C ATOM 291 C GLN A 19 24.327 -5.326 3.726 1.00 0.00 C ATOM 292 O GLN A 19 23.800 -5.250 4.836 1.00 0.00 O ATOM 293 CB GLN A 19 26.465 -6.712 3.912 1.00 0.00 C ATOM 294 CG GLN A 19 26.445 -6.793 5.443 1.00 0.00 C ATOM 295 CD GLN A 19 26.365 -5.428 6.128 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.542 -4.387 5.496 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.098 -5.421 7.430 1.00 0.00 N ATOM 0 H GLN A 19 26.154 -6.627 1.526 1.00 0.00 H new ATOM 0 HA GLN A 19 24.455 -7.427 3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.960 -7.597 3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 19 27.057 -5.850 3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.593 -7.397 5.755 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.343 -7.309 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 19 25.956 -6.301 7.926 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.035 -4.536 7.933 1.00 0.00 H new ATOM 306 N LYS A 20 24.286 -4.320 2.845 1.00 0.00 N ATOM 307 CA LYS A 20 23.579 -3.072 3.100 1.00 0.00 C ATOM 308 C LYS A 20 22.086 -3.317 3.302 1.00 0.00 C ATOM 309 O LYS A 20 21.419 -2.527 3.967 1.00 0.00 O ATOM 310 CB LYS A 20 23.821 -2.123 1.922 1.00 0.00 C ATOM 311 CG LYS A 20 23.278 -2.704 0.611 1.00 0.00 C ATOM 312 CD LYS A 20 23.629 -1.795 -0.565 1.00 0.00 C ATOM 313 CE LYS A 20 23.073 -2.385 -1.858 1.00 0.00 C ATOM 314 NZ LYS A 20 23.402 -1.536 -3.019 1.00 0.00 N ATOM 0 H LYS A 20 24.745 -4.354 1.935 1.00 0.00 H new ATOM 0 HA LYS A 20 23.958 -2.622 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.343 -1.164 2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.889 -1.931 1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.695 -3.698 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.196 -2.819 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.217 -0.799 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.711 -1.684 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.480 -3.385 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 20 21.991 -2.490 -1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 23.011 -1.963 -3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 22.992 -0.590 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 24.435 -1.456 -3.109 1.00 0.00 H new ATOM 328 N ALA A 21 21.555 -4.405 2.738 1.00 0.00 N ATOM 329 CA ALA A 21 20.151 -4.735 2.891 1.00 0.00 C ATOM 330 C ALA A 21 19.908 -5.463 4.208 1.00 0.00 C ATOM 331 O ALA A 21 18.771 -5.511 4.675 1.00 0.00 O ATOM 332 CB ALA A 21 19.699 -5.580 1.702 1.00 0.00 C ATOM 0 H ALA A 21 22.084 -5.068 2.172 1.00 0.00 H new ATOM 0 HA ALA A 21 19.565 -3.816 2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.644 -5.830 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.843 -5.017 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.287 -6.497 1.663 1.00 0.00 H new ATOM 338 N PHE A 22 20.957 -6.028 4.819 1.00 0.00 N ATOM 339 CA PHE A 22 20.814 -6.678 6.109 1.00 0.00 C ATOM 340 C PHE A 22 20.752 -5.617 7.195 1.00 0.00 C ATOM 341 O PHE A 22 20.027 -5.767 8.174 1.00 0.00 O ATOM 342 CB PHE A 22 21.974 -7.644 6.359 1.00 0.00 C ATOM 343 CG PHE A 22 21.791 -8.423 7.639 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.750 -9.359 7.742 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.650 -8.212 8.727 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.567 -10.075 8.931 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.464 -8.930 9.918 1.00 0.00 C ATOM 348 CZ PHE A 22 21.422 -9.859 10.019 1.00 0.00 C ATOM 0 H PHE A 22 21.903 -6.044 4.437 1.00 0.00 H new ATOM 0 HA PHE A 22 19.892 -7.260 6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.057 -8.336 5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.909 -7.085 6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.090 -9.527 6.904 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.455 -7.496 8.648 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.766 -10.795 9.009 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.125 -8.766 10.756 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.277 -10.410 10.937 1.00 0.00 H new ATOM 358 N ASN A 23 21.512 -4.533 7.027 1.00 0.00 N ATOM 359 CA ASN A 23 21.507 -3.433 7.974 1.00 0.00 C ATOM 360 C ASN A 23 20.111 -2.818 8.036 1.00 0.00 C ATOM 361 O ASN A 23 19.627 -2.482 9.111 1.00 0.00 O ATOM 362 CB ASN A 23 22.537 -2.409 7.503 1.00 0.00 C ATOM 363 CG ASN A 23 22.375 -1.068 8.205 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.859 -0.875 9.314 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.684 -0.139 7.552 1.00 0.00 N ATOM 0 H ASN A 23 22.141 -4.400 6.235 1.00 0.00 H new ATOM 0 HA ASN A 23 21.764 -3.777 8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.540 -2.794 7.686 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.441 -2.268 6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.539 0.779 7.973 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.299 -0.344 6.630 1.00 0.00 H new ATOM 372 N LEU A 24 19.469 -2.676 6.875 1.00 0.00 N ATOM 373 CA LEU A 24 18.121 -2.134 6.807 1.00 0.00 C ATOM 374 C LEU A 24 17.073 -3.162 7.233 1.00 0.00 C ATOM 375 O LEU A 24 15.945 -2.796 7.561 1.00 0.00 O ATOM 376 CB LEU A 24 17.841 -1.642 5.386 1.00 0.00 C ATOM 377 CG LEU A 24 18.814 -0.540 4.950 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.605 -0.255 3.466 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.588 0.741 5.751 1.00 0.00 C ATOM 0 H LEU A 24 19.866 -2.931 5.971 1.00 0.00 H new ATOM 0 HA LEU A 24 18.054 -1.299 7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.911 -2.480 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.820 -1.266 5.329 1.00 0.00 H new ATOM 0 HG LEU A 24 19.833 -0.880 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.292 0.528 3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.794 -1.162 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.579 0.073 3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.292 1.505 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.569 1.094 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.742 0.539 6.811 1.00 0.00 H new ATOM 391 N LEU A 25 17.430 -4.446 7.234 1.00 0.00 N ATOM 392 CA LEU A 25 16.531 -5.503 7.670 1.00 0.00 C ATOM 393 C LEU A 25 16.540 -5.627 9.192 1.00 0.00 C ATOM 394 O LEU A 25 15.483 -5.798 9.795 1.00 0.00 O ATOM 395 CB LEU A 25 16.954 -6.810 6.987 1.00 0.00 C ATOM 396 CG LEU A 25 16.119 -8.024 7.408 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.650 -7.856 7.018 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.673 -9.260 6.704 1.00 0.00 C ATOM 0 H LEU A 25 18.347 -4.777 6.933 1.00 0.00 H new ATOM 0 HA LEU A 25 15.506 -5.268 7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.879 -6.686 5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.002 -7.005 7.213 1.00 0.00 H new ATOM 0 HG LEU A 25 16.177 -8.125 8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.087 -8.735 7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.243 -6.971 7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.571 -7.742 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.090 -10.135 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.611 -9.122 5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.714 -9.407 6.992 1.00 0.00 H new ATOM 410 N VAL A 26 17.708 -5.540 9.834 1.00 0.00 N ATOM 411 CA VAL A 26 17.745 -5.731 11.274 1.00 0.00 C ATOM 412 C VAL A 26 17.135 -4.553 12.018 1.00 0.00 C ATOM 413 O VAL A 26 16.687 -4.745 13.139 1.00 0.00 O ATOM 414 CB VAL A 26 19.157 -6.007 11.792 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.773 -7.218 11.100 1.00 0.00 C ATOM 416 CG2 VAL A 26 20.068 -4.790 11.648 1.00 0.00 C ATOM 0 H VAL A 26 18.607 -5.345 9.393 1.00 0.00 H new ATOM 0 HA VAL A 26 17.139 -6.615 11.473 1.00 0.00 H new ATOM 0 HB VAL A 26 19.064 -6.227 12.856 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.777 -7.388 11.490 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.157 -8.097 11.288 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.827 -7.035 10.027 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.061 -5.031 12.028 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.140 -4.512 10.597 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.655 -3.957 12.216 1.00 0.00 H new ATOM 426 N VAL A 27 17.096 -3.347 11.439 1.00 0.00 N ATOM 427 CA VAL A 27 16.499 -2.211 12.140 1.00 0.00 C ATOM 428 C VAL A 27 14.993 -2.398 12.295 1.00 0.00 C ATOM 429 O VAL A 27 14.403 -1.853 13.226 1.00 0.00 O ATOM 430 CB VAL A 27 16.803 -0.887 11.431 1.00 0.00 C ATOM 431 CG1 VAL A 27 18.297 -0.581 11.490 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.383 -0.924 9.967 1.00 0.00 C ATOM 0 H VAL A 27 17.462 -3.138 10.510 1.00 0.00 H new ATOM 0 HA VAL A 27 16.948 -2.169 13.132 1.00 0.00 H new ATOM 0 HB VAL A 27 16.235 -0.113 11.948 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.495 0.363 10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 27 18.612 -0.506 12.531 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.852 -1.381 11.000 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.614 0.032 9.498 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.922 -1.720 9.454 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.311 -1.111 9.901 1.00 0.00 H new ATOM 442 N ARG A 28 14.365 -3.164 11.395 1.00 0.00 N ATOM 443 CA ARG A 28 12.943 -3.452 11.495 1.00 0.00 C ATOM 444 C ARG A 28 12.690 -4.371 12.682 1.00 0.00 C ATOM 445 O ARG A 28 11.647 -4.300 13.328 1.00 0.00 O ATOM 446 CB ARG A 28 12.456 -4.129 10.213 1.00 0.00 C ATOM 447 CG ARG A 28 12.946 -3.407 8.954 1.00 0.00 C ATOM 448 CD ARG A 28 12.362 -4.051 7.694 1.00 0.00 C ATOM 449 NE ARG A 28 10.918 -3.809 7.575 1.00 0.00 N ATOM 450 CZ ARG A 28 10.255 -3.758 6.414 1.00 0.00 C ATOM 451 NH1 ARG A 28 10.886 -3.932 5.256 1.00 0.00 N ATOM 452 NH2 ARG A 28 8.946 -3.531 6.409 1.00 0.00 N ATOM 0 H ARG A 28 14.826 -3.592 10.592 1.00 0.00 H new ATOM 0 HA ARG A 28 12.400 -2.517 11.635 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.803 -5.162 10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.366 -4.159 10.212 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.659 -2.356 8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.035 -3.438 8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.870 -3.655 6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.550 -5.124 7.714 1.00 0.00 H new ATOM 0 HE ARG A 28 10.386 -3.671 8.434 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.891 -4.108 5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.365 -3.890 4.380 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.448 -3.396 7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.439 -3.492 5.525 1.00 0.00 H new ATOM 466 N TYR A 29 13.666 -5.235 12.964 1.00 0.00 N ATOM 467 CA TYR A 29 13.582 -6.189 14.056 1.00 0.00 C ATOM 468 C TYR A 29 14.333 -5.719 15.298 1.00 0.00 C ATOM 469 O TYR A 29 14.220 -6.332 16.351 1.00 0.00 O ATOM 470 CB TYR A 29 14.095 -7.542 13.567 1.00 0.00 C ATOM 471 CG TYR A 29 13.176 -8.165 12.543 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.195 -7.728 11.210 1.00 0.00 C ATOM 473 CD2 TYR A 29 12.289 -9.176 12.937 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.308 -8.273 10.273 1.00 0.00 C ATOM 475 CE2 TYR A 29 11.407 -9.738 12.005 1.00 0.00 C ATOM 476 CZ TYR A 29 11.409 -9.284 10.670 1.00 0.00 C ATOM 477 OH TYR A 29 10.542 -9.822 9.768 1.00 0.00 O ATOM 0 H TYR A 29 14.537 -5.288 12.436 1.00 0.00 H new ATOM 0 HA TYR A 29 12.539 -6.282 14.360 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.087 -7.417 13.134 1.00 0.00 H new ATOM 0 HB3 TYR A 29 14.201 -8.217 14.416 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.898 -6.967 10.905 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.285 -9.522 13.960 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.313 -7.921 9.252 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.726 -10.519 12.309 1.00 0.00 H new ATOM 0 HH TYR A 29 10.940 -9.792 8.873 1.00 0.00 H new ATOM 487 N GLN A 30 15.106 -4.641 15.208 1.00 0.00 N ATOM 488 CA GLN A 30 15.928 -4.184 16.318 1.00 0.00 C ATOM 489 C GLN A 30 15.059 -3.789 17.507 1.00 0.00 C ATOM 490 O GLN A 30 15.486 -3.920 18.653 1.00 0.00 O ATOM 491 CB GLN A 30 16.782 -3.023 15.804 1.00 0.00 C ATOM 492 CG GLN A 30 17.819 -2.533 16.808 1.00 0.00 C ATOM 493 CD GLN A 30 18.703 -1.483 16.145 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.744 -0.331 16.570 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.409 -1.877 15.089 1.00 0.00 N ATOM 0 H GLN A 30 15.179 -4.065 14.369 1.00 0.00 H new ATOM 0 HA GLN A 30 16.580 -4.979 16.679 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.291 -3.334 14.892 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.128 -2.193 15.537 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.324 -2.110 17.682 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.426 -3.368 17.158 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.348 -2.843 14.766 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.011 -1.213 14.602 1.00 0.00 H new ATOM 504 N HIS A 31 13.841 -3.312 17.239 1.00 0.00 N ATOM 505 CA HIS A 31 12.891 -2.972 18.291 1.00 0.00 C ATOM 506 C HIS A 31 12.060 -4.179 18.720 1.00 0.00 C ATOM 507 O HIS A 31 11.686 -4.283 19.886 1.00 0.00 O ATOM 508 CB HIS A 31 11.984 -1.849 17.787 1.00 0.00 C ATOM 509 CG HIS A 31 12.741 -0.582 17.475 1.00 0.00 C ATOM 510 ND1 HIS A 31 13.087 -0.145 16.193 1.00 0.00 N ATOM 511 CD2 HIS A 31 13.200 0.312 18.398 1.00 0.00 C ATOM 512 CE1 HIS A 31 13.749 1.009 16.381 1.00 0.00 C ATOM 513 NE2 HIS A 31 13.833 1.307 17.692 1.00 0.00 N ATOM 0 H HIS A 31 13.491 -3.153 16.294 1.00 0.00 H new ATOM 0 HA HIS A 31 13.445 -2.642 19.170 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.461 -2.185 16.891 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.224 -1.637 18.539 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.088 0.250 19.470 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.159 1.616 15.587 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.287 2.128 18.091 1.00 0.00 H new ATOM 521 N LYS A 32 11.771 -5.096 17.792 1.00 0.00 N ATOM 522 CA LYS A 32 10.923 -6.248 18.077 1.00 0.00 C ATOM 523 C LYS A 32 11.690 -7.361 18.792 1.00 0.00 C ATOM 524 O LYS A 32 11.143 -8.037 19.658 1.00 0.00 O ATOM 525 CB LYS A 32 10.328 -6.766 16.770 1.00 0.00 C ATOM 526 CG LYS A 32 9.478 -5.695 16.090 1.00 0.00 C ATOM 527 CD LYS A 32 8.834 -6.297 14.843 1.00 0.00 C ATOM 528 CE LYS A 32 7.993 -5.246 14.123 1.00 0.00 C ATOM 529 NZ LYS A 32 6.838 -4.813 14.937 1.00 0.00 N ATOM 0 H LYS A 32 12.116 -5.059 16.833 1.00 0.00 H new ATOM 0 HA LYS A 32 10.126 -5.929 18.748 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.130 -7.078 16.100 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.718 -7.647 16.969 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.710 -5.332 16.773 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.095 -4.838 15.820 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.606 -6.676 14.173 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.209 -7.145 15.121 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.615 -4.383 13.887 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.638 -5.652 13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.176 -4.275 14.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.354 -5.648 15.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.170 -4.211 15.718 1.00 0.00 H new ATOM 543 N VAL A 33 12.961 -7.549 18.431 1.00 0.00 N ATOM 544 CA VAL A 33 13.819 -8.552 19.029 1.00 0.00 C ATOM 545 C VAL A 33 14.162 -8.133 20.450 1.00 0.00 C ATOM 546 O VAL A 33 14.226 -8.965 21.352 1.00 0.00 O ATOM 547 CB VAL A 33 15.096 -8.668 18.193 1.00 0.00 C ATOM 548 CG1 VAL A 33 16.031 -9.721 18.734 1.00 0.00 C ATOM 549 CG2 VAL A 33 14.820 -9.185 16.796 1.00 0.00 C ATOM 0 H VAL A 33 13.421 -6.998 17.706 1.00 0.00 H new ATOM 0 HA VAL A 33 13.313 -9.517 19.055 1.00 0.00 H new ATOM 0 HB VAL A 33 15.511 -7.660 18.211 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.924 -9.770 18.111 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.315 -9.466 19.755 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.531 -10.690 18.728 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.756 -9.250 16.241 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.365 -10.173 16.857 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.141 -8.504 16.284 1.00 0.00 H new ATOM 559 N ALA A 34 14.380 -6.829 20.643 1.00 0.00 N ATOM 560 CA ALA A 34 14.678 -6.286 21.955 1.00 0.00 C ATOM 561 C ALA A 34 13.490 -6.454 22.903 1.00 0.00 C ATOM 562 O ALA A 34 13.674 -6.462 24.120 1.00 0.00 O ATOM 563 CB ALA A 34 15.039 -4.810 21.807 1.00 0.00 C ATOM 0 H ALA A 34 14.354 -6.133 19.898 1.00 0.00 H new ATOM 0 HA ALA A 34 15.519 -6.830 22.385 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.265 -4.391 22.787 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.911 -4.712 21.160 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.199 -4.272 21.367 1.00 0.00 H new ATOM 569 N SER A 35 12.274 -6.589 22.368 1.00 0.00 N ATOM 570 CA SER A 35 11.086 -6.739 23.195 1.00 0.00 C ATOM 571 C SER A 35 11.012 -8.136 23.796 1.00 0.00 C ATOM 572 O SER A 35 10.730 -8.289 24.985 1.00 0.00 O ATOM 573 CB SER A 35 9.846 -6.470 22.344 1.00 0.00 C ATOM 574 OG SER A 35 8.697 -6.471 23.165 1.00 0.00 O ATOM 0 H SER A 35 12.092 -6.597 21.364 1.00 0.00 H new ATOM 0 HA SER A 35 11.135 -6.023 24.015 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.942 -5.510 21.837 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.752 -7.231 21.570 1.00 0.00 H new ATOM 0 HG SER A 35 7.903 -6.297 22.617 1.00 0.00 H new ATOM 580 N LEU A 36 11.265 -9.169 22.983 1.00 0.00 N ATOM 581 CA LEU A 36 11.170 -10.539 23.461 1.00 0.00 C ATOM 582 C LEU A 36 12.444 -10.970 24.178 1.00 0.00 C ATOM 583 O LEU A 36 12.388 -11.840 25.045 1.00 0.00 O ATOM 584 CB LEU A 36 10.808 -11.476 22.303 1.00 0.00 C ATOM 585 CG LEU A 36 11.922 -11.665 21.264 1.00 0.00 C ATOM 586 CD1 LEU A 36 12.885 -12.787 21.653 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.299 -12.065 19.932 1.00 0.00 C ATOM 0 H LEU A 36 11.534 -9.077 22.003 1.00 0.00 H new ATOM 0 HA LEU A 36 10.370 -10.597 24.199 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.540 -12.451 22.711 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.922 -11.087 21.801 1.00 0.00 H new ATOM 0 HG LEU A 36 12.467 -10.723 21.202 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.657 -12.885 20.889 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.350 -12.552 22.610 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.336 -13.725 21.737 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.085 -12.201 19.189 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.749 -12.998 20.053 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.617 -11.282 19.600 1.00 0.00 H new ATOM 599 N VAL A 37 13.591 -10.378 23.834 1.00 0.00 N ATOM 600 CA VAL A 37 14.847 -10.771 24.454 1.00 0.00 C ATOM 601 C VAL A 37 15.073 -10.036 25.776 1.00 0.00 C ATOM 602 O VAL A 37 15.900 -10.457 26.581 1.00 0.00 O ATOM 603 CB VAL A 37 15.990 -10.621 23.450 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.526 -9.199 23.378 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.146 -11.546 23.819 1.00 0.00 C ATOM 0 H VAL A 37 13.670 -9.636 23.139 1.00 0.00 H new ATOM 0 HA VAL A 37 14.807 -11.826 24.726 1.00 0.00 H new ATOM 0 HB VAL A 37 15.576 -10.884 22.477 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.335 -9.152 22.650 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.726 -8.523 23.076 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.901 -8.902 24.357 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.952 -11.428 23.095 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.512 -11.292 24.814 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.801 -12.580 23.812 1.00 0.00 H new ATOM 615 N SER A 38 14.342 -8.942 26.020 1.00 0.00 N ATOM 616 CA SER A 38 14.377 -8.261 27.312 1.00 0.00 C ATOM 617 C SER A 38 13.733 -9.145 28.383 1.00 0.00 C ATOM 618 O SER A 38 13.841 -8.879 29.577 1.00 0.00 O ATOM 619 CB SER A 38 13.648 -6.921 27.204 1.00 0.00 C ATOM 620 OG SER A 38 13.744 -6.211 28.420 1.00 0.00 O ATOM 0 H SER A 38 13.719 -8.512 25.336 1.00 0.00 H new ATOM 0 HA SER A 38 15.412 -8.073 27.599 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.078 -6.330 26.395 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.600 -7.089 26.955 1.00 0.00 H new ATOM 0 HG SER A 38 13.851 -6.844 29.161 1.00 0.00 H new ATOM 626 N ARG A 39 13.056 -10.215 27.950 1.00 0.00 N ATOM 627 CA ARG A 39 12.431 -11.184 28.841 1.00 0.00 C ATOM 628 C ARG A 39 13.425 -12.263 29.274 1.00 0.00 C ATOM 629 O ARG A 39 13.087 -13.096 30.114 1.00 0.00 O ATOM 630 CB ARG A 39 11.217 -11.806 28.148 1.00 0.00 C ATOM 631 CG ARG A 39 10.278 -10.728 27.607 1.00 0.00 C ATOM 632 CD ARG A 39 9.106 -11.370 26.872 1.00 0.00 C ATOM 633 NE ARG A 39 8.279 -10.353 26.209 1.00 0.00 N ATOM 634 CZ ARG A 39 7.165 -10.622 25.523 1.00 0.00 C ATOM 635 NH1 ARG A 39 6.727 -11.871 25.401 1.00 0.00 N ATOM 636 NH2 ARG A 39 6.484 -9.632 24.956 1.00 0.00 N ATOM 0 H ARG A 39 12.929 -10.429 26.961 1.00 0.00 H new ATOM 0 HA ARG A 39 12.102 -10.668 29.743 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.550 -12.446 27.331 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.679 -12.441 28.852 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.909 -10.112 28.427 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.822 -10.067 26.932 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.480 -12.078 26.133 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.497 -11.936 27.576 1.00 0.00 H new ATOM 0 HE ARG A 39 8.574 -9.379 26.277 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.243 -12.637 25.834 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.875 -12.063 24.875 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.812 -8.670 25.045 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.633 -9.834 24.431 1.00 0.00 H new ATOM 650 N TYR A 40 14.637 -12.255 28.711 1.00 0.00 N ATOM 651 CA TYR A 40 15.658 -13.249 29.020 1.00 0.00 C ATOM 652 C TYR A 40 16.949 -12.609 29.540 1.00 0.00 C ATOM 653 O TYR A 40 17.774 -13.309 30.124 1.00 0.00 O ATOM 654 CB TYR A 40 15.919 -14.102 27.778 1.00 0.00 C ATOM 655 CG TYR A 40 14.707 -14.877 27.308 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.292 -16.025 28.002 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.999 -14.450 26.176 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.162 -16.737 27.573 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.873 -15.160 25.734 1.00 0.00 C ATOM 660 CZ TYR A 40 12.446 -16.305 26.436 1.00 0.00 C ATOM 661 OH TYR A 40 11.347 -16.991 26.018 1.00 0.00 O ATOM 0 H TYR A 40 14.934 -11.557 28.029 1.00 0.00 H new ATOM 0 HA TYR A 40 15.290 -13.886 29.825 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.262 -13.456 26.970 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.727 -14.802 27.992 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.844 -16.360 28.868 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.322 -13.569 25.641 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.840 -17.615 28.113 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.335 -14.830 24.858 1.00 0.00 H new ATOM 0 HH TYR A 40 10.974 -16.557 25.222 1.00 0.00 H new ATOM 671 N VAL A 41 17.137 -11.300 29.342 1.00 0.00 N ATOM 672 CA VAL A 41 18.281 -10.558 29.878 1.00 0.00 C ATOM 673 C VAL A 41 17.820 -9.177 30.340 1.00 0.00 C ATOM 674 O VAL A 41 16.826 -8.661 29.824 1.00 0.00 O ATOM 675 CB VAL A 41 19.410 -10.431 28.845 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.133 -11.764 28.667 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.903 -9.961 27.481 1.00 0.00 C ATOM 0 H VAL A 41 16.494 -10.722 28.801 1.00 0.00 H new ATOM 0 HA VAL A 41 18.682 -11.112 30.727 1.00 0.00 H new ATOM 0 HB VAL A 41 20.097 -9.680 29.234 1.00 0.00 H new ATOM 0 HG11 VAL A 41 20.929 -11.651 27.931 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.562 -12.076 29.620 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.425 -12.519 28.323 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.740 -9.888 26.787 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.175 -10.676 27.097 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.431 -8.984 27.585 1.00 0.00 H new ATOM 687 N PRO A 42 18.524 -8.570 31.305 1.00 0.00 N ATOM 688 CA PRO A 42 18.188 -7.264 31.847 1.00 0.00 C ATOM 689 C PRO A 42 18.399 -6.171 30.807 1.00 0.00 C ATOM 690 O PRO A 42 19.053 -6.391 29.786 1.00 0.00 O ATOM 691 CB PRO A 42 19.109 -7.080 33.053 1.00 0.00 C ATOM 692 CG PRO A 42 20.330 -7.914 32.674 1.00 0.00 C ATOM 693 CD PRO A 42 19.707 -9.105 31.951 1.00 0.00 C ATOM 0 HA PRO A 42 17.139 -7.198 32.135 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.367 -6.033 33.209 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.646 -7.435 33.974 1.00 0.00 H new ATOM 0 HG2 PRO A 42 21.014 -7.362 32.030 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.898 -8.224 33.551 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.397 -9.530 31.222 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.450 -9.901 32.650 1.00 0.00 H new ATOM 701 N SER A 43 17.844 -4.983 31.062 1.00 0.00 N ATOM 702 CA SER A 43 17.881 -3.871 30.123 1.00 0.00 C ATOM 703 C SER A 43 19.296 -3.339 29.889 1.00 0.00 C ATOM 704 O SER A 43 19.508 -2.540 28.977 1.00 0.00 O ATOM 705 CB SER A 43 16.968 -2.752 30.629 1.00 0.00 C ATOM 706 OG SER A 43 17.398 -2.318 31.904 1.00 0.00 O ATOM 0 H SER A 43 17.355 -4.770 31.931 1.00 0.00 H new ATOM 0 HA SER A 43 17.527 -4.240 29.160 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.979 -1.917 29.928 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.939 -3.108 30.684 1.00 0.00 H new ATOM 0 HG SER A 43 16.810 -1.601 32.221 1.00 0.00 H new ATOM 712 N GLY A 44 20.270 -3.771 30.697 1.00 0.00 N ATOM 713 CA GLY A 44 21.656 -3.368 30.522 1.00 0.00 C ATOM 714 C GLY A 44 22.408 -4.296 29.570 1.00 0.00 C ATOM 715 O GLY A 44 23.464 -3.922 29.058 1.00 0.00 O ATOM 0 H GLY A 44 20.115 -4.404 31.482 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.691 -2.349 30.137 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.156 -3.360 31.491 1.00 0.00 H new ATOM 719 N ASP A 45 21.878 -5.499 29.326 1.00 0.00 N ATOM 720 CA ASP A 45 22.501 -6.476 28.441 1.00 0.00 C ATOM 721 C ASP A 45 21.623 -6.773 27.227 1.00 0.00 C ATOM 722 O ASP A 45 22.042 -7.491 26.322 1.00 0.00 O ATOM 723 CB ASP A 45 22.797 -7.749 29.229 1.00 0.00 C ATOM 724 CG ASP A 45 23.875 -7.513 30.284 1.00 0.00 C ATOM 725 OD1 ASP A 45 25.070 -7.585 29.912 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.504 -7.264 31.454 1.00 0.00 O ATOM 0 H ASP A 45 21.002 -5.819 29.740 1.00 0.00 H new ATOM 0 HA ASP A 45 23.435 -6.062 28.061 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.885 -8.101 29.711 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.120 -8.535 28.546 1.00 0.00 H new ATOM 731 N VAL A 46 20.406 -6.226 27.193 1.00 0.00 N ATOM 732 CA VAL A 46 19.473 -6.508 26.114 1.00 0.00 C ATOM 733 C VAL A 46 19.914 -5.946 24.752 1.00 0.00 C ATOM 734 O VAL A 46 19.602 -6.577 23.743 1.00 0.00 O ATOM 735 CB VAL A 46 18.065 -6.043 26.516 1.00 0.00 C ATOM 736 CG1 VAL A 46 17.885 -4.530 26.478 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.023 -6.655 25.589 1.00 0.00 C ATOM 0 H VAL A 46 20.049 -5.586 27.903 1.00 0.00 H new ATOM 0 HA VAL A 46 19.458 -7.588 25.966 1.00 0.00 H new ATOM 0 HB VAL A 46 17.934 -6.375 27.546 1.00 0.00 H new ATOM 0 HG11 VAL A 46 16.867 -4.277 26.774 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.589 -4.062 27.166 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.070 -4.167 25.467 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.030 -6.317 25.885 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.221 -6.344 24.563 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.071 -7.742 25.655 1.00 0.00 H new ATOM 747 N PRO A 47 20.626 -4.808 24.651 1.00 0.00 N ATOM 748 CA PRO A 47 20.985 -4.269 23.345 1.00 0.00 C ATOM 749 C PRO A 47 22.171 -5.024 22.746 1.00 0.00 C ATOM 750 O PRO A 47 22.351 -5.028 21.530 1.00 0.00 O ATOM 751 CB PRO A 47 21.353 -2.812 23.612 1.00 0.00 C ATOM 752 CG PRO A 47 21.968 -2.871 25.006 1.00 0.00 C ATOM 753 CD PRO A 47 21.125 -3.935 25.705 1.00 0.00 C ATOM 0 HA PRO A 47 20.170 -4.365 22.627 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.059 -2.431 22.874 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.479 -2.162 23.582 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.022 -3.148 24.972 1.00 0.00 H new ATOM 0 HG3 PRO A 47 21.908 -1.909 25.515 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.722 -4.495 26.425 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.302 -3.480 26.257 1.00 0.00 H new ATOM 761 N ASP A 48 22.980 -5.669 23.590 1.00 0.00 N ATOM 762 CA ASP A 48 24.154 -6.391 23.128 1.00 0.00 C ATOM 763 C ASP A 48 23.769 -7.780 22.631 1.00 0.00 C ATOM 764 O ASP A 48 24.436 -8.336 21.760 1.00 0.00 O ATOM 765 CB ASP A 48 25.158 -6.484 24.276 1.00 0.00 C ATOM 766 CG ASP A 48 26.485 -7.077 23.806 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.202 -6.368 23.063 1.00 0.00 O ATOM 768 OD2 ASP A 48 26.773 -8.230 24.192 1.00 0.00 O ATOM 0 H ASP A 48 22.837 -5.702 24.599 1.00 0.00 H new ATOM 0 HA ASP A 48 24.607 -5.857 22.293 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.328 -5.492 24.694 1.00 0.00 H new ATOM 0 HB3 ASP A 48 24.745 -7.100 25.075 1.00 0.00 H new ATOM 773 N VAL A 49 22.688 -8.341 23.179 1.00 0.00 N ATOM 774 CA VAL A 49 22.208 -9.650 22.767 1.00 0.00 C ATOM 775 C VAL A 49 21.421 -9.531 21.462 1.00 0.00 C ATOM 776 O VAL A 49 21.387 -10.482 20.685 1.00 0.00 O ATOM 777 CB VAL A 49 21.383 -10.267 23.901 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.741 -11.581 23.468 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.296 -10.570 25.089 1.00 0.00 C ATOM 0 H VAL A 49 22.131 -7.902 23.912 1.00 0.00 H new ATOM 0 HA VAL A 49 23.047 -10.318 22.570 1.00 0.00 H new ATOM 0 HB VAL A 49 20.605 -9.552 24.170 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.163 -11.993 24.295 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.082 -11.401 22.618 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.519 -12.289 23.181 1.00 0.00 H new ATOM 0 HG21 VAL A 49 21.709 -11.009 25.896 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.072 -11.271 24.782 1.00 0.00 H new ATOM 0 HG23 VAL A 49 22.758 -9.646 25.437 1.00 0.00 H new ATOM 789 N VAL A 50 20.789 -8.380 21.204 1.00 0.00 N ATOM 790 CA VAL A 50 20.146 -8.136 19.918 1.00 0.00 C ATOM 791 C VAL A 50 21.220 -7.995 18.849 1.00 0.00 C ATOM 792 O VAL A 50 21.027 -8.424 17.716 1.00 0.00 O ATOM 793 CB VAL A 50 19.290 -6.865 19.990 1.00 0.00 C ATOM 794 CG1 VAL A 50 18.804 -6.441 18.603 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.057 -7.123 20.853 1.00 0.00 C ATOM 0 H VAL A 50 20.712 -7.610 21.868 1.00 0.00 H new ATOM 0 HA VAL A 50 19.493 -8.972 19.667 1.00 0.00 H new ATOM 0 HB VAL A 50 19.911 -6.077 20.415 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.200 -5.537 18.689 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.663 -6.244 17.961 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.202 -7.239 18.169 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.451 -6.218 20.902 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.469 -7.930 20.416 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.369 -7.405 21.858 1.00 0.00 H new ATOM 805 N GLN A 51 22.362 -7.392 19.201 1.00 0.00 N ATOM 806 CA GLN A 51 23.450 -7.240 18.255 1.00 0.00 C ATOM 807 C GLN A 51 24.084 -8.596 17.971 1.00 0.00 C ATOM 808 O GLN A 51 24.369 -8.903 16.818 1.00 0.00 O ATOM 809 CB GLN A 51 24.475 -6.244 18.806 1.00 0.00 C ATOM 810 CG GLN A 51 25.580 -5.987 17.782 1.00 0.00 C ATOM 811 CD GLN A 51 26.571 -4.929 18.258 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.444 -4.379 19.346 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.577 -4.633 17.439 1.00 0.00 N ATOM 0 H GLN A 51 22.546 -7.008 20.128 1.00 0.00 H new ATOM 0 HA GLN A 51 23.068 -6.847 17.313 1.00 0.00 H new ATOM 0 HB2 GLN A 51 23.980 -5.306 19.058 1.00 0.00 H new ATOM 0 HB3 GLN A 51 24.909 -6.633 19.727 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.112 -6.917 17.583 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.134 -5.667 16.841 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.658 -5.106 16.539 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.267 -3.933 17.711 1.00 0.00 H new ATOM 822 N GLU A 52 24.308 -9.420 18.999 1.00 0.00 N ATOM 823 CA GLU A 52 24.890 -10.736 18.773 1.00 0.00 C ATOM 824 C GLU A 52 23.897 -11.616 18.023 1.00 0.00 C ATOM 825 O GLU A 52 24.308 -12.505 17.279 1.00 0.00 O ATOM 826 CB GLU A 52 25.292 -11.371 20.107 1.00 0.00 C ATOM 827 CG GLU A 52 26.007 -12.703 19.865 1.00 0.00 C ATOM 828 CD GLU A 52 26.544 -13.318 21.157 1.00 0.00 C ATOM 829 OE1 GLU A 52 27.041 -12.547 22.008 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.450 -14.560 21.281 1.00 0.00 O ATOM 0 H GLU A 52 24.099 -9.202 19.973 1.00 0.00 H new ATOM 0 HA GLU A 52 25.788 -10.635 18.164 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.945 -10.694 20.658 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.407 -11.532 20.723 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.317 -13.402 19.392 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.831 -12.549 19.169 1.00 0.00 H new ATOM 837 N ALA A 53 22.592 -11.384 18.203 1.00 0.00 N ATOM 838 CA ALA A 53 21.583 -12.152 17.496 1.00 0.00 C ATOM 839 C ALA A 53 21.596 -11.798 16.009 1.00 0.00 C ATOM 840 O ALA A 53 21.371 -12.669 15.175 1.00 0.00 O ATOM 841 CB ALA A 53 20.213 -11.880 18.112 1.00 0.00 C ATOM 0 H ALA A 53 22.219 -10.672 18.831 1.00 0.00 H new ATOM 0 HA ALA A 53 21.803 -13.216 17.589 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.455 -12.456 17.582 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.222 -12.172 19.162 1.00 0.00 H new ATOM 0 HB3 ALA A 53 19.983 -10.818 18.032 1.00 0.00 H new ATOM 847 N PHE A 54 21.858 -10.534 15.666 1.00 0.00 N ATOM 848 CA PHE A 54 21.962 -10.122 14.273 1.00 0.00 C ATOM 849 C PHE A 54 23.282 -10.570 13.648 1.00 0.00 C ATOM 850 O PHE A 54 23.311 -10.887 12.459 1.00 0.00 O ATOM 851 CB PHE A 54 21.807 -8.603 14.179 1.00 0.00 C ATOM 852 CG PHE A 54 20.443 -8.072 14.577 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.290 -8.850 14.383 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.327 -6.792 15.134 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.035 -8.349 14.741 1.00 0.00 C ATOM 856 CE2 PHE A 54 19.067 -6.283 15.477 1.00 0.00 C ATOM 857 CZ PHE A 54 17.923 -7.065 15.285 1.00 0.00 C ATOM 0 H PHE A 54 22.001 -9.781 16.339 1.00 0.00 H new ATOM 0 HA PHE A 54 21.162 -10.604 13.711 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.561 -8.136 14.813 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.016 -8.294 13.155 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.373 -9.838 13.956 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.212 -6.195 15.300 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.152 -8.953 14.598 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.979 -5.289 15.889 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.952 -6.677 15.557 1.00 0.00 H new ATOM 867 N ILE A 55 24.368 -10.610 14.421 1.00 0.00 N ATOM 868 CA ILE A 55 25.653 -11.072 13.907 1.00 0.00 C ATOM 869 C ILE A 55 25.581 -12.580 13.684 1.00 0.00 C ATOM 870 O ILE A 55 26.121 -13.096 12.706 1.00 0.00 O ATOM 871 CB ILE A 55 26.767 -10.700 14.900 1.00 0.00 C ATOM 872 CG1 ILE A 55 26.910 -9.172 14.982 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.096 -11.328 14.461 1.00 0.00 C ATOM 874 CD1 ILE A 55 27.862 -8.749 16.100 1.00 0.00 C ATOM 0 H ILE A 55 24.381 -10.329 15.401 1.00 0.00 H new ATOM 0 HA ILE A 55 25.880 -10.592 12.955 1.00 0.00 H new ATOM 0 HB ILE A 55 26.503 -11.085 15.885 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.276 -8.790 14.029 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.931 -8.724 15.150 1.00 0.00 H new ATOM 0 HG21 ILE A 55 28.878 -11.058 15.171 1.00 0.00 H new ATOM 0 HG22 ILE A 55 27.993 -12.413 14.429 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.363 -10.960 13.470 1.00 0.00 H new ATOM 0 HD11 ILE A 55 27.935 -7.662 16.124 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.482 -9.108 17.057 1.00 0.00 H new ATOM 0 HD13 ILE A 55 28.849 -9.175 15.918 1.00 0.00 H new ATOM 886 N LYS A 56 24.904 -13.290 14.593 1.00 0.00 N ATOM 887 CA LYS A 56 24.731 -14.730 14.505 1.00 0.00 C ATOM 888 C LYS A 56 23.695 -15.081 13.445 1.00 0.00 C ATOM 889 O LYS A 56 23.802 -16.120 12.797 1.00 0.00 O ATOM 890 CB LYS A 56 24.310 -15.229 15.887 1.00 0.00 C ATOM 891 CG LYS A 56 24.191 -16.754 15.934 1.00 0.00 C ATOM 892 CD LYS A 56 23.758 -17.196 17.334 1.00 0.00 C ATOM 893 CE LYS A 56 24.818 -16.811 18.365 1.00 0.00 C ATOM 894 NZ LYS A 56 24.398 -17.197 19.724 1.00 0.00 N ATOM 0 H LYS A 56 24.461 -12.873 15.412 1.00 0.00 H new ATOM 0 HA LYS A 56 25.661 -15.213 14.206 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.037 -14.899 16.629 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.353 -14.782 16.158 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.466 -17.095 15.194 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.147 -17.211 15.678 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.806 -16.732 17.591 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.601 -18.275 17.350 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.762 -17.298 18.120 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.994 -15.736 18.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.127 -16.909 20.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.500 -16.726 19.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.270 -18.228 19.768 1.00 0.00 H new ATOM 908 N ALA A 57 22.690 -14.218 13.260 1.00 0.00 N ATOM 909 CA ALA A 57 21.662 -14.462 12.266 1.00 0.00 C ATOM 910 C ALA A 57 22.253 -14.364 10.868 1.00 0.00 C ATOM 911 O ALA A 57 21.956 -15.206 10.033 1.00 0.00 O ATOM 912 CB ALA A 57 20.521 -13.460 12.436 1.00 0.00 C ATOM 0 H ALA A 57 22.575 -13.352 13.786 1.00 0.00 H new ATOM 0 HA ALA A 57 21.265 -15.468 12.405 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.754 -13.651 11.685 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.089 -13.566 13.431 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.905 -12.447 12.313 1.00 0.00 H new ATOM 918 N TYR A 58 23.081 -13.355 10.590 1.00 0.00 N ATOM 919 CA TYR A 58 23.611 -13.163 9.248 1.00 0.00 C ATOM 920 C TYR A 58 24.441 -14.364 8.803 1.00 0.00 C ATOM 921 O TYR A 58 24.397 -14.760 7.637 1.00 0.00 O ATOM 922 CB TYR A 58 24.483 -11.913 9.241 1.00 0.00 C ATOM 923 CG TYR A 58 24.976 -11.544 7.862 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.084 -11.021 6.917 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.327 -11.730 7.530 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.544 -10.649 5.646 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.793 -11.371 6.258 1.00 0.00 C ATOM 928 CZ TYR A 58 25.903 -10.823 5.312 1.00 0.00 C ATOM 929 OH TYR A 58 26.358 -10.463 4.080 1.00 0.00 O ATOM 0 H TYR A 58 23.394 -12.666 11.273 1.00 0.00 H new ATOM 0 HA TYR A 58 22.777 -13.054 8.554 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.915 -11.079 9.653 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.339 -12.071 9.897 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.040 -10.904 7.168 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.008 -12.150 8.255 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.859 -10.230 4.924 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.833 -11.514 6.003 1.00 0.00 H new ATOM 0 HH TYR A 58 27.318 -10.650 4.018 1.00 0.00 H new ATOM 939 N ARG A 59 25.197 -14.947 9.735 1.00 0.00 N ATOM 940 CA ARG A 59 26.049 -16.094 9.453 1.00 0.00 C ATOM 941 C ARG A 59 25.217 -17.353 9.229 1.00 0.00 C ATOM 942 O ARG A 59 25.664 -18.282 8.558 1.00 0.00 O ATOM 943 CB ARG A 59 26.995 -16.284 10.636 1.00 0.00 C ATOM 944 CG ARG A 59 27.940 -15.090 10.761 1.00 0.00 C ATOM 945 CD ARG A 59 28.664 -15.185 12.098 1.00 0.00 C ATOM 946 NE ARG A 59 29.697 -14.148 12.221 1.00 0.00 N ATOM 947 CZ ARG A 59 30.432 -13.950 13.319 1.00 0.00 C ATOM 948 NH1 ARG A 59 30.266 -14.714 14.395 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.343 -12.980 13.339 1.00 0.00 N ATOM 0 H ARG A 59 25.233 -14.634 10.705 1.00 0.00 H new ATOM 0 HA ARG A 59 26.616 -15.914 8.540 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.420 -16.398 11.555 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.572 -17.200 10.505 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.658 -15.088 9.941 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.381 -14.156 10.698 1.00 0.00 H new ATOM 0 HD2 ARG A 59 27.945 -15.083 12.911 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.121 -16.170 12.197 1.00 0.00 H new ATOM 0 HE ARG A 59 29.864 -13.541 11.418 1.00 0.00 H new ATOM 0 HH11 ARG A 59 29.571 -15.461 14.388 1.00 0.00 H new ATOM 0 HH12 ARG A 59 30.833 -14.553 15.227 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.478 -12.390 12.518 1.00 0.00 H new ATOM 0 HH22 ARG A 59 31.906 -12.826 14.176 1.00 0.00 H new ATOM 963 N ALA A 60 24.007 -17.382 9.791 1.00 0.00 N ATOM 964 CA ALA A 60 23.073 -18.483 9.613 1.00 0.00 C ATOM 965 C ALA A 60 22.069 -18.190 8.495 1.00 0.00 C ATOM 966 O ALA A 60 21.348 -19.086 8.063 1.00 0.00 O ATOM 967 CB ALA A 60 22.360 -18.742 10.938 1.00 0.00 C ATOM 0 H ALA A 60 23.650 -16.634 10.386 1.00 0.00 H new ATOM 0 HA ALA A 60 23.624 -19.375 9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.656 -19.566 10.818 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.094 -19.000 11.702 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.820 -17.845 11.242 1.00 0.00 H new ATOM 973 N LEU A 61 22.016 -16.937 8.026 1.00 0.00 N ATOM 974 CA LEU A 61 21.069 -16.505 7.013 1.00 0.00 C ATOM 975 C LEU A 61 21.496 -17.007 5.639 1.00 0.00 C ATOM 976 O LEU A 61 20.671 -17.153 4.742 1.00 0.00 O ATOM 977 CB LEU A 61 21.003 -14.978 7.033 1.00 0.00 C ATOM 978 CG LEU A 61 19.820 -14.440 6.235 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.505 -14.810 6.912 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.921 -12.921 6.179 1.00 0.00 C ATOM 0 H LEU A 61 22.638 -16.195 8.347 1.00 0.00 H new ATOM 0 HA LEU A 61 20.083 -16.918 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.930 -14.633 8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.929 -14.571 6.626 1.00 0.00 H new ATOM 0 HG LEU A 61 19.842 -14.872 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.672 -14.418 6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.422 -15.895 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.479 -14.382 7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.081 -12.521 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.899 -12.517 7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.855 -12.636 5.695 1.00 0.00 H new ATOM 992 N ASP A 62 22.792 -17.277 5.475 1.00 0.00 N ATOM 993 CA ASP A 62 23.314 -17.880 4.262 1.00 0.00 C ATOM 994 C ASP A 62 22.817 -19.324 4.120 1.00 0.00 C ATOM 995 O ASP A 62 22.975 -19.938 3.066 1.00 0.00 O ATOM 996 CB ASP A 62 24.841 -17.828 4.313 1.00 0.00 C ATOM 997 CG ASP A 62 25.471 -18.336 3.017 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.209 -17.711 1.966 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.207 -19.345 3.086 1.00 0.00 O ATOM 0 H ASP A 62 23.502 -17.082 6.181 1.00 0.00 H new ATOM 0 HA ASP A 62 22.960 -17.328 3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.164 -16.803 4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.197 -18.429 5.150 1.00 0.00 H new ATOM 1004 N SER A 63 22.216 -19.868 5.184 1.00 0.00 N ATOM 1005 CA SER A 63 21.672 -21.216 5.203 1.00 0.00 C ATOM 1006 C SER A 63 20.142 -21.207 5.233 1.00 0.00 C ATOM 1007 O SER A 63 19.521 -22.267 5.258 1.00 0.00 O ATOM 1008 CB SER A 63 22.233 -21.966 6.411 1.00 0.00 C ATOM 1009 OG SER A 63 23.646 -21.967 6.371 1.00 0.00 O ATOM 0 H SER A 63 22.096 -19.370 6.066 1.00 0.00 H new ATOM 0 HA SER A 63 21.969 -21.725 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 63 21.888 -21.496 7.332 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.861 -22.991 6.417 1.00 0.00 H new ATOM 0 HG SER A 63 23.995 -22.448 7.150 1.00 0.00 H new ATOM 1015 N PHE A 64 19.527 -20.019 5.233 1.00 0.00 N ATOM 1016 CA PHE A 64 18.079 -19.873 5.218 1.00 0.00 C ATOM 1017 C PHE A 64 17.544 -20.073 3.803 1.00 0.00 C ATOM 1018 O PHE A 64 18.098 -19.525 2.849 1.00 0.00 O ATOM 1019 CB PHE A 64 17.720 -18.491 5.755 1.00 0.00 C ATOM 1020 CG PHE A 64 16.235 -18.213 5.787 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.446 -18.747 6.810 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.652 -17.421 4.789 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.071 -18.481 6.844 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.276 -17.150 4.825 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.484 -17.676 5.856 1.00 0.00 C ATOM 0 H PHE A 64 20.028 -19.131 5.244 1.00 0.00 H new ATOM 0 HA PHE A 64 17.620 -20.631 5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.121 -18.389 6.764 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.208 -17.735 5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.896 -19.364 7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.261 -17.020 3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.461 -18.897 7.633 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.826 -16.536 4.059 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.426 -17.462 5.889 1.00 0.00 H new ATOM 1099 N PHE A 70 10.516 -15.582 8.099 1.00 0.00 N ATOM 1100 CA PHE A 70 11.784 -15.023 8.541 1.00 0.00 C ATOM 1101 C PHE A 70 11.709 -14.508 9.975 1.00 0.00 C ATOM 1102 O PHE A 70 12.696 -14.581 10.699 1.00 0.00 O ATOM 1103 CB PHE A 70 12.194 -13.877 7.610 1.00 0.00 C ATOM 1104 CG PHE A 70 13.430 -13.160 8.100 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.665 -13.828 8.119 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.342 -11.835 8.553 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.805 -13.166 8.594 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.484 -11.175 9.028 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.717 -11.843 9.049 1.00 0.00 C ATOM 0 HA PHE A 70 12.527 -15.820 8.509 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.377 -14.271 6.610 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.372 -13.166 7.527 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.736 -14.847 7.769 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.392 -11.322 8.536 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.756 -13.678 8.610 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.414 -10.155 9.377 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.599 -11.338 9.416 1.00 0.00 H new ATOM 1119 N TYR A 71 10.554 -13.988 10.404 1.00 0.00 N ATOM 1120 CA TYR A 71 10.458 -13.432 11.740 1.00 0.00 C ATOM 1121 C TYR A 71 10.530 -14.535 12.794 1.00 0.00 C ATOM 1122 O TYR A 71 11.155 -14.344 13.832 1.00 0.00 O ATOM 1123 CB TYR A 71 9.185 -12.595 11.875 1.00 0.00 C ATOM 1124 CG TYR A 71 7.888 -13.370 11.766 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.365 -14.018 12.895 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.208 -13.427 10.539 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.159 -14.726 12.800 1.00 0.00 C ATOM 1128 CE2 TYR A 71 6.000 -14.131 10.438 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.473 -14.789 11.570 1.00 0.00 C ATOM 1130 OH TYR A 71 4.302 -15.480 11.476 1.00 0.00 O ATOM 0 H TYR A 71 9.696 -13.944 9.854 1.00 0.00 H new ATOM 0 HA TYR A 71 11.308 -12.772 11.909 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.205 -12.085 12.838 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.194 -11.823 11.106 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.891 -13.971 13.837 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.616 -12.928 9.672 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.755 -15.223 13.669 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.474 -14.170 9.496 1.00 0.00 H new ATOM 0 HH TYR A 71 3.960 -15.421 10.559 1.00 0.00 H new ATOM 1140 N THR A 72 9.906 -15.689 12.540 1.00 0.00 N ATOM 1141 CA THR A 72 9.964 -16.796 13.487 1.00 0.00 C ATOM 1142 C THR A 72 11.368 -17.379 13.494 1.00 0.00 C ATOM 1143 O THR A 72 11.863 -17.798 14.537 1.00 0.00 O ATOM 1144 CB THR A 72 8.956 -17.880 13.101 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.663 -17.329 13.038 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.954 -19.002 14.140 1.00 0.00 C ATOM 0 H THR A 72 9.363 -15.876 11.697 1.00 0.00 H new ATOM 0 HA THR A 72 9.715 -16.427 14.482 1.00 0.00 H new ATOM 0 HB THR A 72 9.242 -18.282 12.129 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.720 -16.353 13.103 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.231 -19.765 13.850 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.948 -19.446 14.197 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.681 -18.595 15.114 1.00 0.00 H new ATOM 1154 N TRP A 73 12.024 -17.406 12.328 1.00 0.00 N ATOM 1155 CA TRP A 73 13.368 -17.942 12.219 1.00 0.00 C ATOM 1156 C TRP A 73 14.371 -17.035 12.928 1.00 0.00 C ATOM 1157 O TRP A 73 15.351 -17.525 13.485 1.00 0.00 O ATOM 1158 CB TRP A 73 13.717 -18.098 10.740 1.00 0.00 C ATOM 1159 CG TRP A 73 15.117 -18.533 10.472 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.526 -19.803 10.267 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.317 -17.707 10.381 1.00 0.00 C ATOM 1162 NE1 TRP A 73 16.892 -19.824 10.068 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.432 -18.560 10.149 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.577 -16.327 10.480 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.739 -18.074 10.047 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.883 -15.828 10.375 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.961 -16.698 10.166 1.00 0.00 C ATOM 0 H TRP A 73 11.637 -17.060 11.450 1.00 0.00 H new ATOM 0 HA TRP A 73 13.414 -18.917 12.704 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.035 -18.822 10.294 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.545 -17.146 10.238 1.00 0.00 H new ATOM 0 HD1 TRP A 73 14.883 -20.670 10.260 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.433 -20.669 9.884 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.757 -15.642 10.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.564 -18.750 9.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.059 -14.766 10.456 1.00 0.00 H new ATOM 0 HH2 TRP A 73 19.965 -16.306 10.097 1.00 0.00 H new ATOM 1178 N LEU A 74 14.135 -15.718 12.913 1.00 0.00 N ATOM 1179 CA LEU A 74 15.041 -14.762 13.521 1.00 0.00 C ATOM 1180 C LEU A 74 14.842 -14.698 15.031 1.00 0.00 C ATOM 1181 O LEU A 74 15.808 -14.531 15.771 1.00 0.00 O ATOM 1182 CB LEU A 74 14.795 -13.388 12.893 1.00 0.00 C ATOM 1183 CG LEU A 74 15.717 -12.320 13.488 1.00 0.00 C ATOM 1184 CD1 LEU A 74 17.184 -12.623 13.194 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.367 -10.962 12.893 1.00 0.00 C ATOM 0 H LEU A 74 13.314 -15.296 12.480 1.00 0.00 H new ATOM 0 HA LEU A 74 16.069 -15.077 13.340 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.953 -13.446 11.816 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.756 -13.098 13.047 1.00 0.00 H new ATOM 0 HG LEU A 74 15.573 -12.315 14.568 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.811 -11.845 13.630 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.450 -13.588 13.626 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.340 -12.652 12.116 1.00 0.00 H new ATOM 0 HD21 LEU A 74 16.022 -10.200 13.315 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.498 -10.994 11.811 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.330 -10.719 13.126 1.00 0.00 H new ATOM 1197 N TYR A 75 13.600 -14.832 15.502 1.00 0.00 N ATOM 1198 CA TYR A 75 13.333 -14.760 16.930 1.00 0.00 C ATOM 1199 C TYR A 75 13.898 -15.966 17.673 1.00 0.00 C ATOM 1200 O TYR A 75 14.099 -15.892 18.886 1.00 0.00 O ATOM 1201 CB TYR A 75 11.838 -14.574 17.171 1.00 0.00 C ATOM 1202 CG TYR A 75 11.285 -13.252 16.676 1.00 0.00 C ATOM 1203 CD1 TYR A 75 12.082 -12.097 16.684 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.963 -13.180 16.205 1.00 0.00 C ATOM 1205 CE1 TYR A 75 11.570 -10.878 16.224 1.00 0.00 C ATOM 1206 CE2 TYR A 75 9.442 -11.965 15.738 1.00 0.00 C ATOM 1207 CZ TYR A 75 10.248 -10.810 15.742 1.00 0.00 C ATOM 1208 OH TYR A 75 9.745 -9.631 15.277 1.00 0.00 O ATOM 0 H TYR A 75 12.777 -14.989 14.920 1.00 0.00 H new ATOM 0 HA TYR A 75 13.849 -13.890 17.337 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.299 -15.386 16.682 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.641 -14.659 18.240 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.098 -12.149 17.048 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.345 -14.066 16.203 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.187 -9.992 16.239 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.426 -11.915 15.376 1.00 0.00 H new ATOM 0 HH TYR A 75 10.317 -9.293 14.557 1.00 0.00 H new ATOM 1218 N ARG A 76 14.165 -17.078 16.974 1.00 0.00 N ATOM 1219 CA ARG A 76 14.834 -18.212 17.597 1.00 0.00 C ATOM 1220 C ARG A 76 16.320 -17.926 17.770 1.00 0.00 C ATOM 1221 O ARG A 76 16.959 -18.520 18.636 1.00 0.00 O ATOM 1222 CB ARG A 76 14.617 -19.474 16.759 1.00 0.00 C ATOM 1223 CG ARG A 76 13.148 -19.882 16.845 1.00 0.00 C ATOM 1224 CD ARG A 76 12.900 -21.239 16.187 1.00 0.00 C ATOM 1225 NE ARG A 76 13.208 -21.219 14.751 1.00 0.00 N ATOM 1226 CZ ARG A 76 14.293 -21.770 14.198 1.00 0.00 C ATOM 1227 NH1 ARG A 76 15.214 -22.373 14.944 1.00 0.00 N ATOM 1228 NH2 ARG A 76 14.460 -21.720 12.881 1.00 0.00 N ATOM 0 H ARG A 76 13.929 -17.209 15.990 1.00 0.00 H new ATOM 0 HA ARG A 76 14.404 -18.374 18.585 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.896 -19.290 15.722 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.254 -20.281 17.122 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.842 -19.923 17.890 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.531 -19.125 16.362 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.510 -21.997 16.678 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.858 -21.526 16.330 1.00 0.00 H new ATOM 0 HE ARG A 76 12.547 -20.751 14.131 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.099 -22.421 15.956 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.035 -22.788 14.504 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.762 -21.262 12.295 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.287 -22.139 12.455 1.00 0.00 H new ATOM 1242 N ILE A 77 16.884 -17.019 16.964 1.00 0.00 N ATOM 1243 CA ILE A 77 18.281 -16.640 17.118 1.00 0.00 C ATOM 1244 C ILE A 77 18.440 -15.762 18.356 1.00 0.00 C ATOM 1245 O ILE A 77 19.462 -15.820 19.035 1.00 0.00 O ATOM 1246 CB ILE A 77 18.791 -15.882 15.881 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.424 -16.543 14.546 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.312 -15.741 15.970 1.00 0.00 C ATOM 1249 CD1 ILE A 77 18.893 -17.990 14.414 1.00 0.00 C ATOM 0 H ILE A 77 16.395 -16.541 16.207 1.00 0.00 H new ATOM 0 HA ILE A 77 18.871 -17.550 17.229 1.00 0.00 H new ATOM 0 HB ILE A 77 18.297 -14.911 15.890 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.341 -16.511 14.423 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.854 -15.958 13.733 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.679 -15.204 15.095 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.574 -15.188 16.872 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.768 -16.731 16.006 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.593 -18.382 13.442 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.979 -18.030 14.502 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.442 -18.592 15.203 1.00 0.00 H new ATOM 1261 N ALA A 78 17.427 -14.945 18.656 1.00 0.00 N ATOM 1262 CA ALA A 78 17.511 -13.968 19.729 1.00 0.00 C ATOM 1263 C ALA A 78 17.370 -14.614 21.108 1.00 0.00 C ATOM 1264 O ALA A 78 18.064 -14.221 22.044 1.00 0.00 O ATOM 1265 CB ALA A 78 16.442 -12.901 19.506 1.00 0.00 C ATOM 0 H ALA A 78 16.534 -14.947 18.162 1.00 0.00 H new ATOM 0 HA ALA A 78 18.499 -13.508 19.709 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.494 -12.161 20.305 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.611 -12.412 18.547 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.457 -13.367 19.507 1.00 0.00 H new ATOM 1271 N VAL A 79 16.481 -15.605 21.248 1.00 0.00 N ATOM 1272 CA VAL A 79 16.265 -16.245 22.538 1.00 0.00 C ATOM 1273 C VAL A 79 17.341 -17.287 22.830 1.00 0.00 C ATOM 1274 O VAL A 79 17.669 -17.524 23.991 1.00 0.00 O ATOM 1275 CB VAL A 79 14.850 -16.829 22.602 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.634 -17.912 21.548 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.582 -17.438 23.975 1.00 0.00 C ATOM 0 H VAL A 79 15.908 -15.973 20.489 1.00 0.00 H new ATOM 0 HA VAL A 79 16.349 -15.494 23.323 1.00 0.00 H new ATOM 0 HB VAL A 79 14.163 -16.005 22.412 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.618 -18.300 21.628 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.784 -17.488 20.555 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.345 -18.722 21.708 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.572 -17.847 24.001 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.301 -18.234 24.167 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.681 -16.668 24.740 1.00 0.00 H new ATOM 1287 N ASN A 80 17.901 -17.913 21.789 1.00 0.00 N ATOM 1288 CA ASN A 80 18.968 -18.886 21.982 1.00 0.00 C ATOM 1289 C ASN A 80 20.282 -18.176 22.295 1.00 0.00 C ATOM 1290 O ASN A 80 21.170 -18.767 22.909 1.00 0.00 O ATOM 1291 CB ASN A 80 19.102 -19.768 20.738 1.00 0.00 C ATOM 1292 CG ASN A 80 17.921 -20.713 20.560 1.00 0.00 C ATOM 1293 OD1 ASN A 80 17.011 -20.759 21.388 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.923 -21.475 19.471 1.00 0.00 N ATOM 0 H ASN A 80 17.633 -17.762 20.816 1.00 0.00 H new ATOM 0 HA ASN A 80 18.720 -19.524 22.830 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.192 -19.134 19.856 1.00 0.00 H new ATOM 0 HB3 ASN A 80 20.021 -20.350 20.807 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.154 -22.123 19.301 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.693 -21.411 18.805 1.00 0.00 H new ATOM 1301 N THR A 81 20.421 -16.911 21.884 1.00 0.00 N ATOM 1302 CA THR A 81 21.623 -16.144 22.177 1.00 0.00 C ATOM 1303 C THR A 81 21.557 -15.571 23.589 1.00 0.00 C ATOM 1304 O THR A 81 22.593 -15.384 24.218 1.00 0.00 O ATOM 1305 CB THR A 81 21.806 -15.042 21.132 1.00 0.00 C ATOM 1306 OG1 THR A 81 21.971 -15.638 19.864 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.052 -14.209 21.414 1.00 0.00 C ATOM 0 H THR A 81 19.716 -16.404 21.350 1.00 0.00 H new ATOM 0 HA THR A 81 22.490 -16.803 22.129 1.00 0.00 H new ATOM 0 HB THR A 81 20.927 -14.398 21.165 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.097 -15.909 19.513 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.152 -13.435 20.653 1.00 0.00 H new ATOM 0 HG22 THR A 81 22.964 -13.743 22.396 1.00 0.00 H new ATOM 0 HG23 THR A 81 23.932 -14.852 21.395 1.00 0.00 H new ATOM 1315 N ALA A 82 20.357 -15.287 24.099 1.00 0.00 N ATOM 1316 CA ALA A 82 20.211 -14.732 25.434 1.00 0.00 C ATOM 1317 C ALA A 82 20.495 -15.790 26.497 1.00 0.00 C ATOM 1318 O ALA A 82 21.049 -15.482 27.550 1.00 0.00 O ATOM 1319 CB ALA A 82 18.794 -14.175 25.580 1.00 0.00 C ATOM 0 H ALA A 82 19.477 -15.434 23.604 1.00 0.00 H new ATOM 0 HA ALA A 82 20.934 -13.929 25.577 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.669 -13.755 26.578 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.631 -13.396 24.835 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.071 -14.977 25.431 1.00 0.00 H new ATOM 1325 N LYS A 83 20.117 -17.042 26.223 1.00 0.00 N ATOM 1326 CA LYS A 83 20.383 -18.138 27.143 1.00 0.00 C ATOM 1327 C LYS A 83 21.848 -18.559 27.051 1.00 0.00 C ATOM 1328 O LYS A 83 22.408 -19.053 28.025 1.00 0.00 O ATOM 1329 CB LYS A 83 19.438 -19.299 26.825 1.00 0.00 C ATOM 1330 CG LYS A 83 17.999 -18.908 27.163 1.00 0.00 C ATOM 1331 CD LYS A 83 17.039 -20.026 26.751 1.00 0.00 C ATOM 1332 CE LYS A 83 15.601 -19.669 27.131 1.00 0.00 C ATOM 1333 NZ LYS A 83 15.424 -19.628 28.595 1.00 0.00 N ATOM 0 H LYS A 83 19.627 -17.316 25.371 1.00 0.00 H new ATOM 0 HA LYS A 83 20.202 -17.817 28.169 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.514 -19.562 25.770 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.728 -20.181 27.396 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.908 -18.716 28.232 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.735 -17.984 26.649 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.106 -20.192 25.676 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.328 -20.958 27.236 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.340 -18.700 26.705 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.917 -20.401 26.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.409 -19.620 28.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.868 -20.466 29.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.870 -18.769 28.975 1.00 0.00 H new ATOM 1347 N ASN A 84 22.471 -18.365 25.883 1.00 0.00 N ATOM 1348 CA ASN A 84 23.883 -18.663 25.697 1.00 0.00 C ATOM 1349 C ASN A 84 24.750 -17.547 26.282 1.00 0.00 C ATOM 1350 O ASN A 84 25.892 -17.790 26.669 1.00 0.00 O ATOM 1351 CB ASN A 84 24.150 -18.851 24.202 1.00 0.00 C ATOM 1352 CG ASN A 84 25.603 -19.210 23.930 1.00 0.00 C ATOM 1353 OD1 ASN A 84 25.985 -20.373 24.017 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.423 -18.217 23.601 1.00 0.00 N ATOM 0 H ASN A 84 22.009 -18.000 25.050 1.00 0.00 H new ATOM 0 HA ASN A 84 24.142 -19.581 26.225 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.502 -19.636 23.813 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.896 -17.935 23.669 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.406 -18.409 23.411 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.069 -17.263 23.539 1.00 0.00 H new