USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 CYS SG : rot 180:sc= -0.919 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.5) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0965 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.802 (180deg=-1.22) USER MOD Single : A 57 GLN : amide:sc=-0.00109 K(o=-0.0011,f=-1.4) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.126 K(o=-0.13,f=-2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.86 K(o=-1.9,f=-3.8!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 CYS SG : rot 180:sc= -2.89 USER MOD Single : A 76 CYS SG : rot 61:sc= -1.68 USER MOD Single : A 84 LYS NZ :NH3+ 160:sc=-0.00958 (180deg=-0.176) USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 8 9.702 1.252 4.509 1.00 0.00 N ATOM 69 CA ILE A 8 8.439 1.898 4.846 1.00 0.00 C ATOM 70 C ILE A 8 7.449 0.895 5.430 1.00 0.00 C ATOM 71 O ILE A 8 7.164 -0.136 4.821 1.00 0.00 O ATOM 72 CB ILE A 8 7.804 2.573 3.613 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.824 3.473 2.912 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.576 3.373 4.020 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.617 3.568 1.416 1.00 0.00 C ATOM 0 HA ILE A 8 8.663 2.661 5.592 1.00 0.00 H new ATOM 0 HB ILE A 8 7.493 1.797 2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.771 4.473 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.827 3.094 3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.140 3.843 3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.843 2.708 4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.864 4.142 4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.375 4.222 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.699 2.575 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.627 3.976 1.211 1.00 0.00 H new ATOM 87 N ASP A 9 6.928 1.205 6.611 1.00 0.00 N ATOM 88 CA ASP A 9 5.969 0.333 7.277 1.00 0.00 C ATOM 89 C ASP A 9 4.782 1.132 7.806 1.00 0.00 C ATOM 90 O ASP A 9 4.682 2.337 7.577 1.00 0.00 O ATOM 91 CB ASP A 9 6.645 -0.420 8.426 1.00 0.00 C ATOM 92 CG ASP A 9 7.149 -1.787 8.002 1.00 0.00 C ATOM 93 OD1 ASP A 9 8.283 -1.866 7.483 1.00 0.00 O ATOM 94 OD2 ASP A 9 6.412 -2.776 8.190 1.00 0.00 O ATOM 0 H ASP A 9 7.154 2.055 7.128 1.00 0.00 H new ATOM 0 HA ASP A 9 5.602 -0.387 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.479 0.171 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.938 -0.535 9.248 1.00 0.00 H new ATOM 99 N VAL A 10 3.886 0.452 8.514 1.00 0.00 N ATOM 100 CA VAL A 10 2.706 1.100 9.074 1.00 0.00 C ATOM 101 C VAL A 10 3.097 2.139 10.120 1.00 0.00 C ATOM 102 O VAL A 10 3.860 1.851 11.042 1.00 0.00 O ATOM 103 CB VAL A 10 1.751 0.074 9.715 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.459 0.746 10.153 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.465 -1.067 8.748 1.00 0.00 C ATOM 0 H VAL A 10 3.955 -0.546 8.713 1.00 0.00 H new ATOM 0 HA VAL A 10 2.193 1.593 8.249 1.00 0.00 H new ATOM 0 HB VAL A 10 2.235 -0.341 10.599 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.202 0.005 10.603 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.683 1.524 10.883 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.031 1.191 9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.789 -1.781 9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.003 -0.671 7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.398 -1.567 8.489 1.00 0.00 H new ATOM 115 N GLY A 11 2.567 3.349 9.970 1.00 0.00 N ATOM 116 CA GLY A 11 2.871 4.414 10.907 1.00 0.00 C ATOM 117 C GLY A 11 4.108 5.197 10.512 1.00 0.00 C ATOM 118 O GLY A 11 4.953 5.502 11.354 1.00 0.00 O ATOM 0 H GLY A 11 1.932 3.611 9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.020 5.092 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.015 3.990 11.901 1.00 0.00 H new ATOM 122 N CYS A 12 4.215 5.523 9.228 1.00 0.00 N ATOM 123 CA CYS A 12 5.359 6.275 8.724 1.00 0.00 C ATOM 124 C CYS A 12 4.941 7.213 7.592 1.00 0.00 C ATOM 125 O CYS A 12 4.137 6.844 6.736 1.00 0.00 O ATOM 126 CB CYS A 12 6.448 5.319 8.235 1.00 0.00 C ATOM 127 SG CYS A 12 8.123 5.797 8.716 1.00 0.00 S ATOM 0 H CYS A 12 3.524 5.279 8.518 1.00 0.00 H new ATOM 0 HA CYS A 12 5.754 6.878 9.542 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.241 4.322 8.623 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.398 5.255 7.148 1.00 0.00 H new ATOM 0 HG CYS A 12 8.972 4.925 8.258 1.00 0.00 H new ATOM 133 N PRO A 13 5.482 8.445 7.572 1.00 0.00 N ATOM 134 CA PRO A 13 5.158 9.431 6.537 1.00 0.00 C ATOM 135 C PRO A 13 5.866 9.140 5.219 1.00 0.00 C ATOM 136 O PRO A 13 7.079 8.928 5.188 1.00 0.00 O ATOM 137 CB PRO A 13 5.664 10.740 7.139 1.00 0.00 C ATOM 138 CG PRO A 13 6.799 10.337 8.014 1.00 0.00 C ATOM 139 CD PRO A 13 6.450 8.974 8.554 1.00 0.00 C ATOM 0 HA PRO A 13 4.096 9.438 6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.988 11.434 6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.883 11.242 7.709 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.732 10.306 7.451 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.939 11.053 8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.331 8.336 8.631 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.014 9.038 9.551 1.00 0.00 H new ATOM 147 N VAL A 14 5.103 9.133 4.131 1.00 0.00 N ATOM 148 CA VAL A 14 5.658 8.869 2.809 1.00 0.00 C ATOM 149 C VAL A 14 4.851 9.573 1.723 1.00 0.00 C ATOM 150 O VAL A 14 3.621 9.597 1.768 1.00 0.00 O ATOM 151 CB VAL A 14 5.698 7.360 2.506 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.770 6.674 3.339 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.336 6.731 2.757 1.00 0.00 C ATOM 0 H VAL A 14 4.098 9.307 4.139 1.00 0.00 H new ATOM 0 HA VAL A 14 6.676 9.258 2.811 1.00 0.00 H new ATOM 0 HB VAL A 14 5.949 7.226 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.782 5.608 3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.743 7.106 3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.554 6.815 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.382 5.664 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.055 6.875 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.593 7.202 2.113 1.00 0.00 H new ATOM 163 N LYS A 15 5.551 10.142 0.747 1.00 0.00 N ATOM 164 CA LYS A 15 4.899 10.846 -0.351 1.00 0.00 C ATOM 165 C LYS A 15 4.429 9.868 -1.424 1.00 0.00 C ATOM 166 O LYS A 15 5.205 9.048 -1.914 1.00 0.00 O ATOM 167 CB LYS A 15 5.855 11.871 -0.965 1.00 0.00 C ATOM 168 CG LYS A 15 6.244 12.988 -0.011 1.00 0.00 C ATOM 169 CD LYS A 15 6.947 14.123 -0.740 1.00 0.00 C ATOM 170 CE LYS A 15 7.683 15.035 0.227 1.00 0.00 C ATOM 171 NZ LYS A 15 7.744 16.437 -0.271 1.00 0.00 N ATOM 0 H LYS A 15 6.570 10.129 0.694 1.00 0.00 H new ATOM 0 HA LYS A 15 4.028 11.364 0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.757 11.359 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.389 12.306 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.353 13.370 0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.898 12.593 0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.652 13.711 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.216 14.703 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.184 15.015 1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.695 14.660 0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.254 17.028 0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.242 16.460 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.779 16.804 -0.394 1.00 0.00 H new ATOM 185 N VAL A 16 3.154 9.962 -1.785 1.00 0.00 N ATOM 186 CA VAL A 16 2.579 9.088 -2.800 1.00 0.00 C ATOM 187 C VAL A 16 2.296 9.856 -4.087 1.00 0.00 C ATOM 188 O VAL A 16 1.789 10.977 -4.054 1.00 0.00 O ATOM 189 CB VAL A 16 1.274 8.435 -2.310 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.801 7.378 -3.296 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.465 7.835 -0.925 1.00 0.00 C ATOM 0 H VAL A 16 2.498 10.636 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 16 3.314 8.307 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 16 0.506 9.206 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.123 6.928 -2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.621 7.840 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.565 6.607 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.532 7.378 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.248 7.077 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.752 8.620 -0.225 1.00 0.00 H new ATOM 201 N GLN A 17 2.627 9.245 -5.221 1.00 0.00 N ATOM 202 CA GLN A 17 2.407 9.873 -6.518 1.00 0.00 C ATOM 203 C GLN A 17 1.057 9.464 -7.101 1.00 0.00 C ATOM 204 O GLN A 17 0.791 8.279 -7.305 1.00 0.00 O ATOM 205 CB GLN A 17 3.530 9.497 -7.488 1.00 0.00 C ATOM 206 CG GLN A 17 3.981 10.647 -8.373 1.00 0.00 C ATOM 207 CD GLN A 17 5.362 10.426 -8.958 1.00 0.00 C ATOM 208 OE1 GLN A 17 5.733 9.302 -9.296 1.00 0.00 O ATOM 209 NE2 GLN A 17 6.132 11.501 -9.080 1.00 0.00 N ATOM 0 H GLN A 17 3.048 8.317 -5.267 1.00 0.00 H new ATOM 0 HA GLN A 17 2.407 10.953 -6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.384 9.132 -6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.193 8.675 -8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.264 10.780 -9.183 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.980 11.569 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.784 12.414 -8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.072 11.414 -9.467 1.00 0.00 H new ATOM 218 N LEU A 18 0.209 10.452 -7.367 1.00 0.00 N ATOM 219 CA LEU A 18 -1.112 10.195 -7.928 1.00 0.00 C ATOM 220 C LEU A 18 -1.127 10.457 -9.430 1.00 0.00 C ATOM 221 O LEU A 18 -1.704 9.687 -10.198 1.00 0.00 O ATOM 222 CB LEU A 18 -2.161 11.066 -7.235 1.00 0.00 C ATOM 223 CG LEU A 18 -2.540 10.623 -5.820 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.431 11.660 -5.156 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.231 9.268 -5.857 1.00 0.00 C ATOM 0 H LEU A 18 0.413 11.438 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.353 9.145 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.789 12.090 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.062 11.080 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.628 10.530 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.690 11.327 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.902 12.611 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.341 11.786 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.495 8.966 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.135 9.337 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.559 8.529 -6.293 1.00 0.00 H new ATOM 237 N ARG A 19 -0.490 11.548 -9.842 1.00 0.00 N ATOM 238 CA ARG A 19 -0.430 11.910 -11.254 1.00 0.00 C ATOM 239 C ARG A 19 0.637 11.094 -11.978 1.00 0.00 C ATOM 240 O ARG A 19 1.291 10.240 -11.380 1.00 0.00 O ATOM 241 CB ARG A 19 -0.140 13.405 -11.407 1.00 0.00 C ATOM 242 CG ARG A 19 -1.380 14.239 -11.688 1.00 0.00 C ATOM 243 CD ARG A 19 -1.099 15.725 -11.530 1.00 0.00 C ATOM 244 NE ARG A 19 -2.056 16.545 -12.270 1.00 0.00 N ATOM 245 CZ ARG A 19 -3.288 16.814 -11.842 1.00 0.00 C ATOM 246 NH1 ARG A 19 -3.716 16.330 -10.684 1.00 0.00 N ATOM 247 NH2 ARG A 19 -4.092 17.571 -12.576 1.00 0.00 N ATOM 0 H ARG A 19 -0.008 12.196 -9.219 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.398 11.689 -11.703 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.334 13.770 -10.496 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.575 13.547 -12.218 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.732 14.040 -12.700 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.180 13.944 -11.008 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.135 15.990 -10.473 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.089 15.942 -11.879 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.763 16.934 -13.166 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.100 15.748 -10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.661 16.540 -10.362 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.767 17.946 -13.467 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.036 17.778 -12.250 1.00 0.00 H new ATOM 261 N SER A 20 0.807 11.366 -13.268 1.00 0.00 N ATOM 262 CA SER A 20 1.794 10.658 -14.073 1.00 0.00 C ATOM 263 C SER A 20 3.189 11.236 -13.853 1.00 0.00 C ATOM 264 O SER A 20 3.728 11.931 -14.715 1.00 0.00 O ATOM 265 CB SER A 20 1.424 10.735 -15.556 1.00 0.00 C ATOM 266 OG SER A 20 0.736 11.939 -15.848 1.00 0.00 O ATOM 0 H SER A 20 0.274 12.071 -13.777 1.00 0.00 H new ATOM 0 HA SER A 20 1.800 9.613 -13.762 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.327 10.672 -16.163 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.800 9.882 -15.823 1.00 0.00 H new ATOM 0 HG SER A 20 0.512 11.965 -16.802 1.00 0.00 H new ATOM 272 N GLY A 21 3.768 10.945 -12.693 1.00 0.00 N ATOM 273 CA GLY A 21 5.094 11.444 -12.380 1.00 0.00 C ATOM 274 C GLY A 21 5.144 12.958 -12.317 1.00 0.00 C ATOM 275 O GLY A 21 6.092 13.576 -12.802 1.00 0.00 O ATOM 0 H GLY A 21 3.343 10.372 -11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.417 11.033 -11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.799 11.091 -13.133 1.00 0.00 H new ATOM 279 N GLU A 22 4.117 13.557 -11.720 1.00 0.00 N ATOM 280 CA GLU A 22 4.047 15.009 -11.597 1.00 0.00 C ATOM 281 C GLU A 22 4.431 15.454 -10.190 1.00 0.00 C ATOM 282 O GLU A 22 5.408 16.181 -10.004 1.00 0.00 O ATOM 283 CB GLU A 22 2.639 15.502 -11.934 1.00 0.00 C ATOM 284 CG GLU A 22 2.620 16.831 -12.672 1.00 0.00 C ATOM 285 CD GLU A 22 2.621 16.661 -14.179 1.00 0.00 C ATOM 286 OE1 GLU A 22 1.648 16.087 -14.711 1.00 0.00 O ATOM 287 OE2 GLU A 22 3.594 17.102 -14.826 1.00 0.00 O ATOM 0 H GLU A 22 3.324 13.060 -11.315 1.00 0.00 H new ATOM 0 HA GLU A 22 4.755 15.444 -12.302 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.136 14.751 -12.543 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.067 15.600 -11.011 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.736 17.395 -12.374 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.488 17.419 -12.376 1.00 0.00 H new ATOM 294 N GLU A 23 3.657 15.016 -9.203 1.00 0.00 N ATOM 295 CA GLU A 23 3.918 15.372 -7.813 1.00 0.00 C ATOM 296 C GLU A 23 3.486 14.251 -6.874 1.00 0.00 C ATOM 297 O GLU A 23 2.674 13.400 -7.237 1.00 0.00 O ATOM 298 CB GLU A 23 3.189 16.666 -7.451 1.00 0.00 C ATOM 299 CG GLU A 23 3.998 17.921 -7.738 1.00 0.00 C ATOM 300 CD GLU A 23 4.981 18.246 -6.631 1.00 0.00 C ATOM 301 OE1 GLU A 23 4.541 18.403 -5.473 1.00 0.00 O ATOM 302 OE2 GLU A 23 6.192 18.343 -6.922 1.00 0.00 O ATOM 0 H GLU A 23 2.845 14.415 -9.339 1.00 0.00 H new ATOM 0 HA GLU A 23 4.991 15.524 -7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.252 16.713 -8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.931 16.644 -6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.541 17.793 -8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.319 18.763 -7.875 1.00 0.00 H new ATOM 309 N LYS A 24 4.034 14.257 -5.663 1.00 0.00 N ATOM 310 CA LYS A 24 3.705 13.242 -4.669 1.00 0.00 C ATOM 311 C LYS A 24 3.225 13.883 -3.372 1.00 0.00 C ATOM 312 O LYS A 24 3.905 14.737 -2.802 1.00 0.00 O ATOM 313 CB LYS A 24 4.922 12.357 -4.393 1.00 0.00 C ATOM 314 CG LYS A 24 5.469 11.669 -5.632 1.00 0.00 C ATOM 315 CD LYS A 24 6.924 11.265 -5.449 1.00 0.00 C ATOM 316 CE LYS A 24 7.208 9.903 -6.062 1.00 0.00 C ATOM 317 NZ LYS A 24 7.642 8.914 -5.039 1.00 0.00 N ATOM 0 H LYS A 24 4.708 14.954 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 24 2.898 12.627 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.709 12.965 -3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.650 11.600 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.870 10.786 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.381 12.337 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.570 12.013 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.165 11.244 -4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.312 9.537 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.982 10.002 -6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.549 7.952 -5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.635 9.091 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.046 9.007 -4.192 1.00 0.00 H new ATOM 331 N PHE A 25 2.051 13.466 -2.909 1.00 0.00 N ATOM 332 CA PHE A 25 1.481 14.000 -1.677 1.00 0.00 C ATOM 333 C PHE A 25 1.935 13.180 -0.470 1.00 0.00 C ATOM 334 O PHE A 25 1.962 11.951 -0.522 1.00 0.00 O ATOM 335 CB PHE A 25 -0.045 14.008 -1.758 1.00 0.00 C ATOM 336 CG PHE A 25 -0.582 14.792 -2.922 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.618 16.176 -2.884 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.048 14.143 -4.054 1.00 0.00 C ATOM 339 CE1 PHE A 25 -1.110 16.900 -3.953 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.542 14.861 -5.126 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.574 16.242 -5.076 1.00 0.00 C ATOM 0 H PHE A 25 1.476 12.760 -3.368 1.00 0.00 H new ATOM 0 HA PHE A 25 1.835 15.023 -1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.402 12.980 -1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.447 14.424 -0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.257 16.695 -2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.025 13.064 -4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.132 17.979 -3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.903 14.344 -6.003 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.961 16.805 -5.912 1.00 0.00 H new ATOM 351 N PRO A 26 2.297 13.851 0.639 1.00 0.00 N ATOM 352 CA PRO A 26 2.749 13.171 1.857 1.00 0.00 C ATOM 353 C PRO A 26 1.602 12.507 2.609 1.00 0.00 C ATOM 354 O PRO A 26 0.478 13.009 2.618 1.00 0.00 O ATOM 355 CB PRO A 26 3.349 14.304 2.688 1.00 0.00 C ATOM 356 CG PRO A 26 2.609 15.520 2.254 1.00 0.00 C ATOM 357 CD PRO A 26 2.297 15.319 0.794 1.00 0.00 C ATOM 0 HA PRO A 26 3.449 12.364 1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.222 14.123 3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.419 14.405 2.506 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.695 15.648 2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.210 16.417 2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.332 15.751 0.527 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.045 15.790 0.156 1.00 0.00 H new ATOM 365 N GLY A 27 1.892 11.374 3.240 1.00 0.00 N ATOM 366 CA GLY A 27 0.874 10.658 3.987 1.00 0.00 C ATOM 367 C GLY A 27 1.464 9.644 4.946 1.00 0.00 C ATOM 368 O GLY A 27 2.554 9.120 4.714 1.00 0.00 O ATOM 0 H GLY A 27 2.814 10.938 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.268 11.372 4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.207 10.150 3.291 1.00 0.00 H new ATOM 372 N VAL A 28 0.744 9.366 6.027 1.00 0.00 N ATOM 373 CA VAL A 28 1.202 8.407 7.025 1.00 0.00 C ATOM 374 C VAL A 28 0.637 7.017 6.752 1.00 0.00 C ATOM 375 O VAL A 28 -0.569 6.852 6.569 1.00 0.00 O ATOM 376 CB VAL A 28 0.806 8.847 8.450 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.708 8.899 8.598 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.419 7.917 9.488 1.00 0.00 C ATOM 0 H VAL A 28 -0.160 9.791 6.235 1.00 0.00 H new ATOM 0 HA VAL A 28 2.289 8.371 6.956 1.00 0.00 H new ATOM 0 HB VAL A 28 1.197 9.851 8.618 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.964 9.211 9.610 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.119 9.612 7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.126 7.911 8.406 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.128 8.244 10.486 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.063 6.900 9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.505 7.940 9.401 1.00 0.00 H new ATOM 388 N VAL A 29 1.515 6.020 6.726 1.00 0.00 N ATOM 389 CA VAL A 29 1.103 4.645 6.476 1.00 0.00 C ATOM 390 C VAL A 29 0.156 4.150 7.564 1.00 0.00 C ATOM 391 O VAL A 29 0.467 4.226 8.752 1.00 0.00 O ATOM 392 CB VAL A 29 2.314 3.697 6.395 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.884 2.320 5.912 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.387 4.279 5.485 1.00 0.00 C ATOM 0 H VAL A 29 2.517 6.139 6.875 1.00 0.00 H new ATOM 0 HA VAL A 29 0.586 4.641 5.516 1.00 0.00 H new ATOM 0 HB VAL A 29 2.736 3.590 7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.753 1.664 5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.155 1.902 6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.436 2.405 4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.235 3.596 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.979 4.418 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.716 5.240 5.879 1.00 0.00 H new ATOM 404 N ARG A 30 -1.002 3.646 7.151 1.00 0.00 N ATOM 405 CA ARG A 30 -1.995 3.140 8.092 1.00 0.00 C ATOM 406 C ARG A 30 -2.145 1.627 7.968 1.00 0.00 C ATOM 407 O ARG A 30 -2.444 0.942 8.946 1.00 0.00 O ATOM 408 CB ARG A 30 -3.346 3.818 7.853 1.00 0.00 C ATOM 409 CG ARG A 30 -3.359 5.293 8.222 1.00 0.00 C ATOM 410 CD ARG A 30 -3.105 5.499 9.707 1.00 0.00 C ATOM 411 NE ARG A 30 -3.225 6.902 10.095 1.00 0.00 N ATOM 412 CZ ARG A 30 -2.808 7.386 11.263 1.00 0.00 C ATOM 413 NH1 ARG A 30 -2.247 6.585 12.159 1.00 0.00 N ATOM 414 NH2 ARG A 30 -2.955 8.676 11.534 1.00 0.00 N ATOM 0 H ARG A 30 -1.276 3.577 6.171 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.652 3.371 9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.616 3.712 6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.111 3.300 8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.599 5.820 7.645 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.322 5.728 7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.813 4.902 10.282 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.107 5.138 9.957 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.653 7.549 9.432 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.133 5.592 11.955 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.930 6.962 13.052 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.387 9.295 10.848 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.636 9.049 12.428 1.00 0.00 H new ATOM 428 N PHE A 31 -1.937 1.113 6.762 1.00 0.00 N ATOM 429 CA PHE A 31 -2.050 -0.319 6.511 1.00 0.00 C ATOM 430 C PHE A 31 -1.085 -0.759 5.415 1.00 0.00 C ATOM 431 O PHE A 31 -0.508 0.072 4.713 1.00 0.00 O ATOM 432 CB PHE A 31 -3.484 -0.678 6.118 1.00 0.00 C ATOM 433 CG PHE A 31 -3.803 -2.137 6.270 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.059 -2.678 7.520 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.846 -2.969 5.163 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.353 -4.020 7.663 1.00 0.00 C ATOM 437 CE2 PHE A 31 -4.139 -4.313 5.300 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.392 -4.840 6.552 1.00 0.00 C ATOM 0 H PHE A 31 -1.689 1.666 5.942 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.790 -0.844 7.430 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.175 -0.098 6.730 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.652 -0.384 5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.028 -2.043 8.393 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.648 -2.563 4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.552 -4.428 8.643 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.170 -4.951 4.429 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.620 -5.890 6.662 1.00 0.00 H new ATOM 448 N ARG A 32 -0.914 -2.069 5.273 1.00 0.00 N ATOM 449 CA ARG A 32 -0.020 -2.618 4.262 1.00 0.00 C ATOM 450 C ARG A 32 -0.346 -4.083 3.986 1.00 0.00 C ATOM 451 O ARG A 32 -0.276 -4.925 4.881 1.00 0.00 O ATOM 452 CB ARG A 32 1.436 -2.483 4.713 1.00 0.00 C ATOM 453 CG ARG A 32 2.439 -3.020 3.705 1.00 0.00 C ATOM 454 CD ARG A 32 3.664 -3.600 4.394 1.00 0.00 C ATOM 455 NE ARG A 32 3.461 -4.990 4.796 1.00 0.00 N ATOM 456 CZ ARG A 32 4.451 -5.828 5.092 1.00 0.00 C ATOM 457 NH1 ARG A 32 5.714 -5.423 5.033 1.00 0.00 N ATOM 458 NH2 ARG A 32 4.178 -7.076 5.448 1.00 0.00 N ATOM 0 H ARG A 32 -1.383 -2.770 5.846 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.162 -2.053 3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.652 -1.432 4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.565 -3.011 5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.966 -3.788 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.744 -2.219 3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.520 -3.539 3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.904 -3.000 5.272 1.00 0.00 H new ATOM 0 HE ARG A 32 2.504 -5.338 4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.930 -4.464 4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.468 -6.070 5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.210 -7.393 5.495 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.936 -7.719 5.675 1.00 0.00 H new ATOM 472 N GLY A 33 -0.704 -4.379 2.742 1.00 0.00 N ATOM 473 CA GLY A 33 -1.036 -5.742 2.369 1.00 0.00 C ATOM 474 C GLY A 33 -1.613 -5.838 0.969 1.00 0.00 C ATOM 475 O GLY A 33 -2.152 -4.861 0.450 1.00 0.00 O ATOM 0 H GLY A 33 -0.770 -3.699 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.141 -6.361 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.754 -6.146 3.083 1.00 0.00 H new ATOM 479 N PRO A 34 -1.511 -7.014 0.326 1.00 0.00 N ATOM 480 CA PRO A 34 -2.032 -7.221 -1.029 1.00 0.00 C ATOM 481 C PRO A 34 -3.556 -7.225 -1.070 1.00 0.00 C ATOM 482 O PRO A 34 -4.215 -7.165 -0.032 1.00 0.00 O ATOM 483 CB PRO A 34 -1.484 -8.596 -1.414 1.00 0.00 C ATOM 484 CG PRO A 34 -1.273 -9.297 -0.117 1.00 0.00 C ATOM 485 CD PRO A 34 -0.882 -8.232 0.870 1.00 0.00 C ATOM 0 HA PRO A 34 -1.732 -6.422 -1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.186 -9.139 -2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.552 -8.508 -1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.180 -9.810 0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.493 -10.053 -0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.247 -8.459 1.872 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.201 -8.128 0.941 1.00 0.00 H new ATOM 628 N ILE A 44 2.440 -6.243 -3.036 1.00 0.00 N ATOM 629 CA ILE A 44 1.971 -5.779 -1.736 1.00 0.00 C ATOM 630 C ILE A 44 1.579 -4.306 -1.786 1.00 0.00 C ATOM 631 O ILE A 44 2.415 -3.440 -2.041 1.00 0.00 O ATOM 632 CB ILE A 44 3.045 -5.975 -0.648 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.605 -7.398 -0.701 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.467 -5.679 0.728 1.00 0.00 C ATOM 635 CD1 ILE A 44 4.815 -7.538 -1.599 1.00 0.00 C ATOM 0 HA ILE A 44 1.095 -6.377 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 44 3.861 -5.277 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.873 -7.712 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.824 -8.074 -1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.238 -5.822 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.114 -4.648 0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.635 -6.354 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.158 -8.572 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.547 -7.255 -2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.612 -6.887 -1.239 1.00 0.00 H new ATOM 647 N PHE A 45 0.302 -4.031 -1.541 1.00 0.00 N ATOM 648 CA PHE A 45 -0.201 -2.663 -1.557 1.00 0.00 C ATOM 649 C PHE A 45 0.006 -1.991 -0.203 1.00 0.00 C ATOM 650 O PHE A 45 -0.441 -2.496 0.826 1.00 0.00 O ATOM 651 CB PHE A 45 -1.686 -2.648 -1.926 1.00 0.00 C ATOM 652 CG PHE A 45 -1.945 -2.895 -3.385 1.00 0.00 C ATOM 653 CD1 PHE A 45 -1.772 -4.158 -3.929 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.361 -1.864 -4.212 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.009 -4.388 -5.271 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.600 -2.089 -5.555 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.424 -3.352 -6.085 1.00 0.00 C ATOM 0 H PHE A 45 -0.403 -4.737 -1.329 1.00 0.00 H new ATOM 0 HA PHE A 45 0.358 -2.105 -2.308 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.205 -3.406 -1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.111 -1.684 -1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.448 -4.972 -3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.500 -0.874 -3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.870 -5.377 -5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.924 -1.277 -6.189 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.610 -3.529 -7.134 1.00 0.00 H new ATOM 667 N PHE A 46 0.687 -0.850 -0.213 1.00 0.00 N ATOM 668 CA PHE A 46 0.954 -0.109 1.015 1.00 0.00 C ATOM 669 C PHE A 46 -0.049 1.025 1.198 1.00 0.00 C ATOM 670 O PHE A 46 -0.146 1.922 0.362 1.00 0.00 O ATOM 671 CB PHE A 46 2.377 0.450 0.997 1.00 0.00 C ATOM 672 CG PHE A 46 3.435 -0.592 1.217 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.523 -1.696 0.382 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.343 -0.468 2.255 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.496 -2.657 0.582 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.319 -1.426 2.460 1.00 0.00 C ATOM 677 CZ PHE A 46 5.395 -2.522 1.622 1.00 0.00 C ATOM 0 H PHE A 46 1.064 -0.418 -1.057 1.00 0.00 H new ATOM 0 HA PHE A 46 0.851 -0.797 1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.554 0.939 0.039 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.467 1.216 1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.823 -1.806 -0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.288 0.387 2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.553 -3.513 -0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.021 -1.318 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.156 -3.272 1.780 1.00 0.00 H new ATOM 687 N GLY A 47 -0.792 0.978 2.299 1.00 0.00 N ATOM 688 CA GLY A 47 -1.776 2.008 2.573 1.00 0.00 C ATOM 689 C GLY A 47 -1.166 3.230 3.230 1.00 0.00 C ATOM 690 O GLY A 47 -0.412 3.113 4.196 1.00 0.00 O ATOM 0 H GLY A 47 -0.730 0.245 3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.259 2.303 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.553 1.601 3.220 1.00 0.00 H new ATOM 694 N VAL A 48 -1.491 4.407 2.704 1.00 0.00 N ATOM 695 CA VAL A 48 -0.967 5.655 3.246 1.00 0.00 C ATOM 696 C VAL A 48 -2.042 6.736 3.277 1.00 0.00 C ATOM 697 O VAL A 48 -2.675 7.026 2.263 1.00 0.00 O ATOM 698 CB VAL A 48 0.231 6.164 2.422 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.888 7.350 3.110 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.236 5.046 2.195 1.00 0.00 C ATOM 0 H VAL A 48 -2.114 4.522 1.904 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.638 5.444 4.264 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.135 6.495 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.732 7.695 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.163 8.157 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.241 7.049 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.075 5.424 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.598 4.681 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.757 4.230 1.654 1.00 0.00 H new ATOM 710 N GLU A 49 -2.242 7.329 4.450 1.00 0.00 N ATOM 711 CA GLU A 49 -3.239 8.380 4.615 1.00 0.00 C ATOM 712 C GLU A 49 -2.680 9.731 4.182 1.00 0.00 C ATOM 713 O GLU A 49 -1.723 10.234 4.769 1.00 0.00 O ATOM 714 CB GLU A 49 -3.702 8.448 6.072 1.00 0.00 C ATOM 715 CG GLU A 49 -4.822 9.448 6.308 1.00 0.00 C ATOM 716 CD GLU A 49 -5.269 9.491 7.755 1.00 0.00 C ATOM 717 OE1 GLU A 49 -4.480 9.085 8.634 1.00 0.00 O ATOM 718 OE2 GLU A 49 -6.411 9.929 8.011 1.00 0.00 O ATOM 0 H GLU A 49 -1.727 7.099 5.300 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.093 8.141 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.037 7.459 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.853 8.711 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.488 10.440 6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.672 9.191 5.676 1.00 0.00 H new ATOM 725 N LEU A 50 -3.285 10.314 3.152 1.00 0.00 N ATOM 726 CA LEU A 50 -2.847 11.607 2.640 1.00 0.00 C ATOM 727 C LEU A 50 -2.911 12.674 3.728 1.00 0.00 C ATOM 728 O LEU A 50 -3.926 12.824 4.407 1.00 0.00 O ATOM 729 CB LEU A 50 -3.711 12.026 1.449 1.00 0.00 C ATOM 730 CG LEU A 50 -3.790 11.003 0.314 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.037 11.232 -0.525 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.542 11.074 -0.552 1.00 0.00 C ATOM 0 H LEU A 50 -4.080 9.911 2.656 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.812 11.508 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.721 12.229 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.321 12.961 1.048 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.850 10.006 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.076 10.495 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.922 11.132 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.008 12.234 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.614 10.340 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.453 12.072 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.664 10.860 0.057 1.00 0.00 H new ATOM 744 N LEU A 51 -1.817 13.413 3.887 1.00 0.00 N ATOM 745 CA LEU A 51 -1.748 14.468 4.892 1.00 0.00 C ATOM 746 C LEU A 51 -2.512 15.705 4.434 1.00 0.00 C ATOM 747 O LEU A 51 -3.085 15.724 3.345 1.00 0.00 O ATOM 748 CB LEU A 51 -0.289 14.831 5.182 1.00 0.00 C ATOM 749 CG LEU A 51 0.360 14.041 6.320 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.870 13.998 6.147 1.00 0.00 C ATOM 751 CD2 LEU A 51 -0.007 14.650 7.665 1.00 0.00 C ATOM 0 H LEU A 51 -0.968 13.301 3.334 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.210 14.096 5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.295 14.678 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.235 15.893 5.420 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.017 13.019 6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.314 13.432 6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.114 13.518 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.266 15.014 6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.462 14.077 8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.343 15.682 7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.090 14.629 7.791 1.00 0.00 H new ATOM 763 N GLU A 52 -2.517 16.737 5.274 1.00 0.00 N ATOM 764 CA GLU A 52 -3.211 17.981 4.955 1.00 0.00 C ATOM 765 C GLU A 52 -2.759 18.533 3.605 1.00 0.00 C ATOM 766 O GLU A 52 -3.522 19.207 2.913 1.00 0.00 O ATOM 767 CB GLU A 52 -2.966 19.019 6.050 1.00 0.00 C ATOM 768 CG GLU A 52 -1.496 19.225 6.377 1.00 0.00 C ATOM 769 CD GLU A 52 -1.133 20.687 6.541 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.656 21.519 5.769 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.327 21.002 7.441 1.00 0.00 O ATOM 0 H GLU A 52 -2.049 16.736 6.180 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.278 17.765 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.397 19.971 5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.491 18.711 6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.254 18.689 7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.887 18.790 5.584 1.00 0.00 H new ATOM 778 N GLU A 53 -1.515 18.242 3.239 1.00 0.00 N ATOM 779 CA GLU A 53 -0.964 18.709 1.972 1.00 0.00 C ATOM 780 C GLU A 53 -1.750 18.143 0.794 1.00 0.00 C ATOM 781 O GLU A 53 -2.062 18.857 -0.158 1.00 0.00 O ATOM 782 CB GLU A 53 0.509 18.311 1.854 1.00 0.00 C ATOM 783 CG GLU A 53 1.267 19.093 0.794 1.00 0.00 C ATOM 784 CD GLU A 53 2.400 18.294 0.180 1.00 0.00 C ATOM 785 OE1 GLU A 53 3.432 18.108 0.857 1.00 0.00 O ATOM 786 OE2 GLU A 53 2.254 17.853 -0.980 1.00 0.00 O ATOM 0 H GLU A 53 -0.870 17.686 3.801 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.043 19.796 1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.995 18.458 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.572 17.247 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.575 19.398 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.668 20.004 1.237 1.00 0.00 H new ATOM 793 N GLY A 54 -2.070 16.855 0.868 1.00 0.00 N ATOM 794 CA GLY A 54 -2.818 16.214 -0.197 1.00 0.00 C ATOM 795 C GLY A 54 -4.050 15.491 0.312 1.00 0.00 C ATOM 796 O GLY A 54 -4.422 14.440 -0.209 1.00 0.00 O ATOM 0 H GLY A 54 -1.824 16.244 1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.117 16.964 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.172 15.504 -0.714 1.00 0.00 H new ATOM 800 N ARG A 55 -4.685 16.057 1.333 1.00 0.00 N ATOM 801 CA ARG A 55 -5.882 15.460 1.914 1.00 0.00 C ATOM 802 C ARG A 55 -7.078 15.620 0.980 1.00 0.00 C ATOM 803 O ARG A 55 -7.220 16.641 0.308 1.00 0.00 O ATOM 804 CB ARG A 55 -6.187 16.098 3.272 1.00 0.00 C ATOM 805 CG ARG A 55 -6.545 15.090 4.351 1.00 0.00 C ATOM 806 CD ARG A 55 -6.157 15.593 5.733 1.00 0.00 C ATOM 807 NE ARG A 55 -6.734 14.771 6.795 1.00 0.00 N ATOM 808 CZ ARG A 55 -8.032 14.738 7.084 1.00 0.00 C ATOM 809 NH1 ARG A 55 -8.892 15.476 6.395 1.00 0.00 N ATOM 810 NH2 ARG A 55 -8.472 13.962 8.066 1.00 0.00 N ATOM 0 H ARG A 55 -4.391 16.928 1.775 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.696 14.395 2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.320 16.673 3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.011 16.802 3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.616 14.890 4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.039 14.146 4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.071 15.596 5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.490 16.624 5.851 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.104 14.188 7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.559 16.074 5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.886 15.446 6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.815 13.392 8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.467 13.936 8.289 1.00 0.00 H new ATOM 824 N GLY A 56 -7.933 14.605 0.944 1.00 0.00 N ATOM 825 CA GLY A 56 -9.105 14.653 0.089 1.00 0.00 C ATOM 826 C GLY A 56 -8.816 14.169 -1.318 1.00 0.00 C ATOM 827 O GLY A 56 -9.387 14.676 -2.285 1.00 0.00 O ATOM 0 H GLY A 56 -7.836 13.750 1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.895 14.041 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.480 15.676 0.048 1.00 0.00 H new ATOM 831 N GLN A 57 -7.928 13.187 -1.434 1.00 0.00 N ATOM 832 CA GLN A 57 -7.564 12.637 -2.735 1.00 0.00 C ATOM 833 C GLN A 57 -7.372 11.125 -2.651 1.00 0.00 C ATOM 834 O GLN A 57 -6.485 10.565 -3.295 1.00 0.00 O ATOM 835 CB GLN A 57 -6.284 13.297 -3.251 1.00 0.00 C ATOM 836 CG GLN A 57 -6.441 14.781 -3.540 1.00 0.00 C ATOM 837 CD GLN A 57 -7.029 15.050 -4.911 1.00 0.00 C ATOM 838 OE1 GLN A 57 -7.571 14.151 -5.554 1.00 0.00 O ATOM 839 NE2 GLN A 57 -6.923 16.293 -5.367 1.00 0.00 N ATOM 0 H GLN A 57 -7.448 12.756 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.377 12.845 -3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.492 13.160 -2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.964 12.789 -4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.081 15.229 -2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.468 15.267 -3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.466 17.007 -4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.299 16.534 -6.284 1.00 0.00 H new ATOM 848 N GLY A 58 -8.210 10.471 -1.853 1.00 0.00 N ATOM 849 CA GLY A 58 -8.117 9.030 -1.700 1.00 0.00 C ATOM 850 C GLY A 58 -9.284 8.302 -2.337 1.00 0.00 C ATOM 851 O GLY A 58 -10.366 8.869 -2.497 1.00 0.00 O ATOM 0 H GLY A 58 -8.952 10.913 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.187 8.680 -2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.074 8.783 -0.639 1.00 0.00 H new ATOM 855 N PHE A 59 -9.066 7.043 -2.703 1.00 0.00 N ATOM 856 CA PHE A 59 -10.110 6.236 -3.327 1.00 0.00 C ATOM 857 C PHE A 59 -10.590 5.140 -2.381 1.00 0.00 C ATOM 858 O PHE A 59 -11.790 4.980 -2.160 1.00 0.00 O ATOM 859 CB PHE A 59 -9.598 5.616 -4.628 1.00 0.00 C ATOM 860 CG PHE A 59 -8.221 5.026 -4.514 1.00 0.00 C ATOM 861 CD1 PHE A 59 -7.098 5.825 -4.645 1.00 0.00 C ATOM 862 CD2 PHE A 59 -8.051 3.671 -4.276 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.829 5.285 -4.540 1.00 0.00 C ATOM 864 CE2 PHE A 59 -6.786 3.125 -4.171 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.674 3.933 -4.303 1.00 0.00 C ATOM 0 H PHE A 59 -8.177 6.559 -2.579 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.952 6.890 -3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.292 4.838 -4.947 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.594 6.379 -5.407 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.214 6.882 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.917 3.035 -4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.961 5.919 -4.643 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.667 2.068 -3.986 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.684 3.508 -4.221 1.00 0.00 H new ATOM 875 N THR A 60 -9.645 4.388 -1.825 1.00 0.00 N ATOM 876 CA THR A 60 -9.974 3.308 -0.902 1.00 0.00 C ATOM 877 C THR A 60 -10.618 3.854 0.368 1.00 0.00 C ATOM 878 O THR A 60 -11.655 3.361 0.812 1.00 0.00 O ATOM 879 CB THR A 60 -8.719 2.507 -0.550 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.024 1.475 0.371 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.618 3.351 0.056 1.00 0.00 C ATOM 0 H THR A 60 -8.647 4.507 -1.997 1.00 0.00 H new ATOM 0 HA THR A 60 -10.689 2.649 -1.395 1.00 0.00 H new ATOM 0 HB THR A 60 -8.363 2.100 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.209 0.974 0.582 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.758 2.720 0.281 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.323 4.127 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.979 3.815 0.974 1.00 0.00 H new ATOM 889 N ASP A 61 -9.999 4.879 0.946 1.00 0.00 N ATOM 890 CA ASP A 61 -10.514 5.497 2.163 1.00 0.00 C ATOM 891 C ASP A 61 -10.666 4.469 3.281 1.00 0.00 C ATOM 892 O ASP A 61 -11.508 4.621 4.167 1.00 0.00 O ATOM 893 CB ASP A 61 -11.860 6.169 1.887 1.00 0.00 C ATOM 894 CG ASP A 61 -11.834 7.023 0.634 1.00 0.00 C ATOM 895 OD1 ASP A 61 -10.726 7.382 0.184 1.00 0.00 O ATOM 896 OD2 ASP A 61 -12.923 7.331 0.105 1.00 0.00 O ATOM 0 H ASP A 61 -9.140 5.299 0.591 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.796 6.251 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.631 5.405 1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.135 6.789 2.740 1.00 0.00 H new ATOM 901 N GLY A 62 -9.847 3.422 3.237 1.00 0.00 N ATOM 902 CA GLY A 62 -9.908 2.389 4.254 1.00 0.00 C ATOM 903 C GLY A 62 -10.518 1.099 3.738 1.00 0.00 C ATOM 904 O GLY A 62 -10.219 0.019 4.246 1.00 0.00 O ATOM 0 H GLY A 62 -9.143 3.271 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.903 2.189 4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.493 2.751 5.100 1.00 0.00 H new ATOM 908 N VAL A 63 -11.376 1.213 2.729 1.00 0.00 N ATOM 909 CA VAL A 63 -12.029 0.046 2.148 1.00 0.00 C ATOM 910 C VAL A 63 -11.646 -0.126 0.680 1.00 0.00 C ATOM 911 O VAL A 63 -11.582 0.845 -0.073 1.00 0.00 O ATOM 912 CB VAL A 63 -13.564 0.144 2.266 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.092 1.345 1.491 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.221 -1.143 1.790 1.00 0.00 C ATOM 0 H VAL A 63 -11.635 2.100 2.298 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.686 -0.823 2.710 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.818 0.286 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.177 1.393 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.651 2.258 1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.827 1.244 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.304 -1.054 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.958 -1.322 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.873 -1.976 2.400 1.00 0.00 H new ATOM 924 N TYR A 64 -11.393 -1.369 0.282 1.00 0.00 N ATOM 925 CA TYR A 64 -11.016 -1.671 -1.094 1.00 0.00 C ATOM 926 C TYR A 64 -11.999 -2.651 -1.725 1.00 0.00 C ATOM 927 O TYR A 64 -12.039 -3.827 -1.360 1.00 0.00 O ATOM 928 CB TYR A 64 -9.600 -2.246 -1.142 1.00 0.00 C ATOM 929 CG TYR A 64 -8.994 -2.251 -2.527 1.00 0.00 C ATOM 930 CD1 TYR A 64 -9.352 -3.218 -3.459 1.00 0.00 C ATOM 931 CD2 TYR A 64 -8.066 -1.289 -2.904 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.801 -3.227 -4.726 1.00 0.00 C ATOM 933 CE2 TYR A 64 -7.511 -1.291 -4.170 1.00 0.00 C ATOM 934 CZ TYR A 64 -7.881 -2.262 -5.077 1.00 0.00 C ATOM 935 OH TYR A 64 -7.331 -2.266 -6.338 1.00 0.00 O ATOM 0 H TYR A 64 -11.442 -2.184 0.894 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.042 -0.742 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.959 -1.667 -0.477 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.618 -3.266 -0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.073 -3.975 -3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.773 -0.527 -2.197 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.090 -3.986 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.791 -0.536 -4.448 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.702 -1.519 -6.423 1.00 0.00 H new ATOM 945 N GLN A 65 -12.789 -2.161 -2.674 1.00 0.00 N ATOM 946 CA GLN A 65 -13.772 -2.994 -3.358 1.00 0.00 C ATOM 947 C GLN A 65 -14.801 -3.548 -2.376 1.00 0.00 C ATOM 948 O GLN A 65 -15.409 -4.589 -2.623 1.00 0.00 O ATOM 949 CB GLN A 65 -13.076 -4.145 -4.087 1.00 0.00 C ATOM 950 CG GLN A 65 -12.669 -3.804 -5.511 1.00 0.00 C ATOM 951 CD GLN A 65 -12.469 -5.037 -6.371 1.00 0.00 C ATOM 952 OE1 GLN A 65 -12.918 -6.129 -6.025 1.00 0.00 O ATOM 953 NE2 GLN A 65 -11.790 -4.867 -7.500 1.00 0.00 N ATOM 0 H GLN A 65 -12.768 -1.191 -2.987 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.292 -2.371 -4.086 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.189 -4.437 -3.524 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.741 -5.008 -4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.433 -3.171 -5.962 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.746 -3.225 -5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.436 -3.943 -7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.623 -5.660 -8.119 1.00 0.00 H new ATOM 962 N GLY A 66 -14.993 -2.846 -1.262 1.00 0.00 N ATOM 963 CA GLY A 66 -15.950 -3.288 -0.265 1.00 0.00 C ATOM 964 C GLY A 66 -15.282 -3.835 0.980 1.00 0.00 C ATOM 965 O GLY A 66 -15.836 -3.755 2.077 1.00 0.00 O ATOM 0 H GLY A 66 -14.503 -1.981 -1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.595 -2.453 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.591 -4.057 -0.697 1.00 0.00 H new ATOM 969 N LYS A 67 -14.088 -4.394 0.812 1.00 0.00 N ATOM 970 CA LYS A 67 -13.345 -4.956 1.932 1.00 0.00 C ATOM 971 C LYS A 67 -12.652 -3.859 2.733 1.00 0.00 C ATOM 972 O LYS A 67 -11.811 -3.129 2.208 1.00 0.00 O ATOM 973 CB LYS A 67 -12.313 -5.969 1.431 1.00 0.00 C ATOM 974 CG LYS A 67 -12.324 -7.280 2.201 1.00 0.00 C ATOM 975 CD LYS A 67 -11.779 -7.103 3.610 1.00 0.00 C ATOM 976 CE LYS A 67 -11.913 -8.381 4.423 1.00 0.00 C ATOM 977 NZ LYS A 67 -11.351 -8.228 5.792 1.00 0.00 N ATOM 0 H LYS A 67 -13.615 -4.469 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.054 -5.464 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.500 -6.175 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.319 -5.526 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.342 -7.666 2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.727 -8.021 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.730 -6.809 3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.314 -6.295 4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.965 -8.660 4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.401 -9.194 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.461 -9.120 6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.341 -7.987 5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.857 -7.469 6.292 1.00 0.00 H new ATOM 991 N GLN A 68 -13.014 -3.749 4.005 1.00 0.00 N ATOM 992 CA GLN A 68 -12.430 -2.742 4.883 1.00 0.00 C ATOM 993 C GLN A 68 -11.086 -3.211 5.431 1.00 0.00 C ATOM 994 O GLN A 68 -11.029 -3.949 6.413 1.00 0.00 O ATOM 995 CB GLN A 68 -13.383 -2.427 6.037 1.00 0.00 C ATOM 996 CG GLN A 68 -13.208 -1.029 6.606 1.00 0.00 C ATOM 997 CD GLN A 68 -13.930 0.026 5.790 1.00 0.00 C ATOM 998 OE1 GLN A 68 -14.956 -0.248 5.169 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.393 1.241 5.787 1.00 0.00 N ATOM 0 H GLN A 68 -13.710 -4.345 4.452 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.267 -1.837 4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.410 -2.544 5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.230 -3.156 6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.580 -1.008 7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.146 -0.788 6.647 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.541 1.423 6.317 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.833 1.992 5.255 1.00 0.00 H new ATOM 1008 N LEU A 69 -10.008 -2.775 4.789 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.664 -3.150 5.212 1.00 0.00 C ATOM 1010 C LEU A 69 -8.239 -2.358 6.444 1.00 0.00 C ATOM 1011 O LEU A 69 -7.676 -2.912 7.388 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.665 -2.921 4.075 1.00 0.00 C ATOM 1013 CG LEU A 69 -7.860 -3.818 2.852 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -6.813 -3.511 1.793 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.801 -5.284 3.253 1.00 0.00 C ATOM 0 H LEU A 69 -10.039 -2.162 3.974 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.675 -4.209 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.731 -1.880 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.657 -3.073 4.461 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.844 -3.616 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.967 -4.159 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.902 -2.469 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.818 -3.685 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.942 -5.908 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.831 -5.500 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.589 -5.495 3.976 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.515 -1.057 6.428 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.162 -0.188 7.545 1.00 0.00 C ATOM 1029 C PHE A 70 -9.126 0.991 7.643 1.00 0.00 C ATOM 1030 O PHE A 70 -9.948 1.209 6.753 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.726 0.320 7.391 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.532 1.238 6.216 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.771 0.795 4.925 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.112 2.546 6.405 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.595 1.639 3.844 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -5.934 3.393 5.329 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.175 2.938 4.047 1.00 0.00 C ATOM 0 H PHE A 70 -8.981 -0.582 5.655 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.236 -0.770 8.463 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.436 0.844 8.302 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.057 -0.534 7.288 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.098 -0.221 4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.922 2.906 7.405 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.786 1.282 2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.607 4.410 5.489 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.035 3.598 3.204 1.00 0.00 H new ATOM 1047 N GLN A 71 -9.019 1.747 8.730 1.00 0.00 N ATOM 1048 CA GLN A 71 -9.880 2.905 8.944 1.00 0.00 C ATOM 1049 C GLN A 71 -9.146 4.198 8.604 1.00 0.00 C ATOM 1050 O GLN A 71 -7.996 4.394 8.999 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.369 2.941 10.394 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.875 2.781 10.532 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.579 4.098 10.793 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -12.818 4.472 11.941 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -12.915 4.810 9.723 1.00 0.00 N ATOM 0 H GLN A 71 -8.345 1.579 9.477 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.742 2.816 8.282 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.875 2.148 10.955 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.069 3.886 10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.274 2.334 9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.090 2.090 11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.697 4.461 8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.391 5.705 9.835 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.819 5.080 7.871 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.231 6.355 7.479 1.00 0.00 C ATOM 1066 C CYS A 72 -10.316 7.381 7.169 1.00 0.00 C ATOM 1067 O CYS A 72 -11.487 7.033 7.010 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.323 6.168 6.262 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.647 6.809 6.488 1.00 0.00 S ATOM 0 H CYS A 72 -10.772 4.934 7.537 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.635 6.725 8.313 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.266 5.106 6.024 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.777 6.663 5.403 1.00 0.00 H new ATOM 0 HG CYS A 72 -5.954 6.603 5.407 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.920 8.648 7.086 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.859 9.724 6.795 1.00 0.00 C ATOM 1077 C ASP A 73 -11.404 9.601 5.376 1.00 0.00 C ATOM 1078 O ASP A 73 -10.959 8.755 4.600 1.00 0.00 O ATOM 1079 CB ASP A 73 -10.182 11.083 6.979 1.00 0.00 C ATOM 1080 CG ASP A 73 -10.239 11.568 8.414 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -11.336 11.957 8.866 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -9.186 11.559 9.086 1.00 0.00 O ATOM 0 H ASP A 73 -8.956 8.953 7.216 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.693 9.644 7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.141 11.013 6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.663 11.816 6.331 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.368 10.453 5.041 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.973 10.439 3.715 1.00 0.00 C ATOM 1089 C GLU A 74 -12.010 10.999 2.672 1.00 0.00 C ATOM 1090 O GLU A 74 -11.559 12.140 2.778 1.00 0.00 O ATOM 1091 CB GLU A 74 -14.270 11.249 3.714 1.00 0.00 C ATOM 1092 CG GLU A 74 -15.254 10.821 2.637 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.386 9.974 3.184 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.215 8.741 3.276 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -17.444 10.546 3.520 1.00 0.00 O ATOM 0 H GLU A 74 -12.746 11.161 5.670 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.199 9.404 3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.748 11.155 4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.030 12.303 3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.668 11.707 2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.724 10.259 1.868 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.699 10.188 1.666 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.790 10.602 0.604 1.00 0.00 C ATOM 1104 C ASP A 75 -9.414 10.946 1.168 1.00 0.00 C ATOM 1105 O ASP A 75 -8.853 12.000 0.867 1.00 0.00 O ATOM 1106 CB ASP A 75 -11.364 11.805 -0.148 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.625 11.460 -0.915 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.509 10.882 -2.017 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -13.728 11.767 -0.416 1.00 0.00 O ATOM 0 H ASP A 75 -12.063 9.241 1.564 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.679 9.769 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.581 12.604 0.561 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.614 12.188 -0.840 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.876 10.049 1.987 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.566 10.256 2.594 1.00 0.00 C ATOM 1116 C CYS A 76 -6.676 9.034 2.397 1.00 0.00 C ATOM 1117 O CYS A 76 -5.543 9.147 1.930 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.713 10.561 4.085 1.00 0.00 C ATOM 1119 SG CYS A 76 -8.329 12.223 4.441 1.00 0.00 S ATOM 0 H CYS A 76 -9.327 9.171 2.246 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.096 11.108 2.102 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.390 9.831 4.529 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.744 10.433 4.568 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.513 12.367 3.924 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.196 7.864 2.759 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.433 6.638 2.616 1.00 0.00 C ATOM 1127 C GLY A 77 -6.174 6.282 1.165 1.00 0.00 C ATOM 1128 O GLY A 77 -7.031 6.487 0.306 1.00 0.00 O ATOM 0 H GLY A 77 -8.131 7.744 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.481 6.743 3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.971 5.821 3.097 1.00 0.00 H new ATOM 1132 N VAL A 78 -4.989 5.747 0.892 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.619 5.361 -0.464 1.00 0.00 C ATOM 1134 C VAL A 78 -3.623 4.206 -0.454 1.00 0.00 C ATOM 1135 O VAL A 78 -2.754 4.130 0.414 1.00 0.00 O ATOM 1136 CB VAL A 78 -4.006 6.543 -1.237 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.052 7.618 -1.487 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.813 7.113 -0.485 1.00 0.00 C ATOM 0 H VAL A 78 -4.268 5.571 1.592 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.535 5.045 -0.963 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.656 6.179 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.600 8.445 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.871 7.200 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.436 7.981 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.393 7.947 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.134 7.462 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.055 6.339 -0.365 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.755 3.308 -1.425 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.867 2.156 -1.528 1.00 0.00 C ATOM 1150 C PHE A 79 -1.939 2.291 -2.730 1.00 0.00 C ATOM 1151 O PHE A 79 -2.389 2.538 -3.849 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.680 0.866 -1.640 1.00 0.00 C ATOM 1153 CG PHE A 79 -4.042 0.265 -0.311 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -3.058 -0.217 0.537 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.366 0.185 0.090 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.389 -0.770 1.760 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.703 -0.367 1.311 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.712 -0.845 2.147 1.00 0.00 C ATOM 0 H PHE A 79 -4.469 3.356 -2.152 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.259 2.116 -0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.594 1.070 -2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.111 0.137 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.021 -0.160 0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.144 0.559 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.613 -1.143 2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.739 -0.425 1.611 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.972 -1.277 3.102 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.641 2.129 -2.491 1.00 0.00 N ATOM 1169 CA VAL A 80 0.350 2.233 -3.555 1.00 0.00 C ATOM 1170 C VAL A 80 1.555 1.342 -3.272 1.00 0.00 C ATOM 1171 O VAL A 80 1.845 1.022 -2.119 1.00 0.00 O ATOM 1172 CB VAL A 80 0.830 3.684 -3.737 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.310 4.568 -4.219 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.417 4.219 -2.440 1.00 0.00 C ATOM 0 H VAL A 80 -0.252 1.925 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.136 1.902 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 80 1.613 3.695 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.049 5.590 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.680 4.196 -5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.117 4.552 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.751 5.246 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.657 4.194 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.264 3.601 -2.142 1.00 0.00 H new ATOM 1184 N ALA A 81 2.252 0.945 -4.331 1.00 0.00 N ATOM 1185 CA ALA A 81 3.426 0.090 -4.196 1.00 0.00 C ATOM 1186 C ALA A 81 4.549 0.812 -3.458 1.00 0.00 C ATOM 1187 O ALA A 81 4.603 2.041 -3.440 1.00 0.00 O ATOM 1188 CB ALA A 81 3.902 -0.372 -5.565 1.00 0.00 C ATOM 0 H ALA A 81 2.025 1.201 -5.292 1.00 0.00 H new ATOM 0 HA ALA A 81 3.144 -0.783 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.779 -1.009 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.107 -0.934 -6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.162 0.495 -6.172 1.00 0.00 H new ATOM 1194 N LEU A 82 5.444 0.037 -2.851 1.00 0.00 N ATOM 1195 CA LEU A 82 6.569 0.600 -2.111 1.00 0.00 C ATOM 1196 C LEU A 82 7.318 1.625 -2.955 1.00 0.00 C ATOM 1197 O LEU A 82 7.611 2.729 -2.495 1.00 0.00 O ATOM 1198 CB LEU A 82 7.525 -0.511 -1.671 1.00 0.00 C ATOM 1199 CG LEU A 82 8.697 -0.053 -0.802 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.241 0.180 0.629 1.00 0.00 C ATOM 1201 CD2 LEU A 82 9.823 -1.075 -0.845 1.00 0.00 C ATOM 0 H LEU A 82 5.412 -0.982 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 82 6.175 1.102 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.957 -1.261 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.922 -1.001 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 82 9.073 0.890 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.088 0.505 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.468 0.949 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.839 -0.747 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.649 -0.733 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.459 -2.033 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.169 -1.193 -1.872 1.00 0.00 H new ATOM 1213 N ASP A 83 7.618 1.255 -4.196 1.00 0.00 N ATOM 1214 CA ASP A 83 8.326 2.143 -5.110 1.00 0.00 C ATOM 1215 C ASP A 83 7.581 3.467 -5.255 1.00 0.00 C ATOM 1216 O ASP A 83 8.187 4.507 -5.511 1.00 0.00 O ATOM 1217 CB ASP A 83 8.487 1.481 -6.479 1.00 0.00 C ATOM 1218 CG ASP A 83 9.421 2.254 -7.389 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.645 2.012 -7.327 1.00 0.00 O ATOM 1220 OD2 ASP A 83 8.930 3.100 -8.164 1.00 0.00 O ATOM 0 H ASP A 83 7.381 0.345 -4.592 1.00 0.00 H new ATOM 0 HA ASP A 83 9.315 2.342 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.868 0.468 -6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.510 1.394 -6.955 1.00 0.00 H new ATOM 1225 N LYS A 84 6.263 3.417 -5.084 1.00 0.00 N ATOM 1226 CA LYS A 84 5.435 4.613 -5.190 1.00 0.00 C ATOM 1227 C LYS A 84 5.579 5.481 -3.945 1.00 0.00 C ATOM 1228 O LYS A 84 5.388 6.697 -3.999 1.00 0.00 O ATOM 1229 CB LYS A 84 3.970 4.227 -5.392 1.00 0.00 C ATOM 1230 CG LYS A 84 3.746 3.270 -6.552 1.00 0.00 C ATOM 1231 CD LYS A 84 3.553 4.017 -7.864 1.00 0.00 C ATOM 1232 CE LYS A 84 2.151 3.821 -8.418 1.00 0.00 C ATOM 1233 NZ LYS A 84 1.107 4.299 -7.469 1.00 0.00 N ATOM 0 H LYS A 84 5.747 2.563 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 84 5.773 5.187 -6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.594 3.769 -4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.385 5.131 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.598 2.596 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.870 2.653 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.738 5.080 -7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.285 3.669 -8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.056 4.357 -9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.990 2.765 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.220 4.468 -7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.949 3.579 -6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.422 5.184 -7.023 1.00 0.00 H new ATOM 1247 N LEU A 85 5.920 4.851 -2.823 1.00 0.00 N ATOM 1248 CA LEU A 85 6.089 5.570 -1.566 1.00 0.00 C ATOM 1249 C LEU A 85 7.489 6.167 -1.466 1.00 0.00 C ATOM 1250 O LEU A 85 8.477 5.522 -1.816 1.00 0.00 O ATOM 1251 CB LEU A 85 5.835 4.636 -0.381 1.00 0.00 C ATOM 1252 CG LEU A 85 4.409 4.092 -0.281 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.255 3.227 0.960 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.404 5.234 -0.265 1.00 0.00 C ATOM 0 H LEU A 85 6.084 3.846 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 85 5.363 6.383 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.525 3.795 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.070 5.170 0.540 1.00 0.00 H new ATOM 0 HG LEU A 85 4.213 3.474 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.234 2.848 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.950 2.389 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.470 3.822 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.394 4.829 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.598 5.878 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.498 5.814 -1.183 1.00 0.00 H new ATOM 1266 N GLU A 86 7.566 7.404 -0.986 1.00 0.00 N ATOM 1267 CA GLU A 86 8.846 8.089 -0.840 1.00 0.00 C ATOM 1268 C GLU A 86 9.047 8.567 0.594 1.00 0.00 C ATOM 1269 O GLU A 86 8.398 9.514 1.040 1.00 0.00 O ATOM 1270 CB GLU A 86 8.925 9.276 -1.802 1.00 0.00 C ATOM 1271 CG GLU A 86 10.320 9.868 -1.925 1.00 0.00 C ATOM 1272 CD GLU A 86 11.300 8.916 -2.583 1.00 0.00 C ATOM 1273 OE1 GLU A 86 11.295 8.826 -3.828 1.00 0.00 O ATOM 1274 OE2 GLU A 86 12.073 8.260 -1.852 1.00 0.00 O ATOM 0 H GLU A 86 6.758 7.952 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 86 9.639 7.381 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.587 8.957 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.238 10.052 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.270 10.790 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.687 10.134 -0.934 1.00 0.00 H new ATOM 1281 N LEU A 87 9.950 7.907 1.311 1.00 0.00 N ATOM 1282 CA LEU A 87 10.237 8.266 2.696 1.00 0.00 C ATOM 1283 C LEU A 87 10.758 9.696 2.790 1.00 0.00 C ATOM 1284 O LEU A 87 11.509 10.152 1.928 1.00 0.00 O ATOM 1285 CB LEU A 87 11.259 7.297 3.294 1.00 0.00 C ATOM 1286 CG LEU A 87 11.129 7.069 4.801 1.00 0.00 C ATOM 1287 CD1 LEU A 87 9.756 6.507 5.141 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.227 6.137 5.292 1.00 0.00 C ATOM 0 H LEU A 87 10.496 7.121 0.957 1.00 0.00 H new ATOM 0 HA LEU A 87 9.309 8.199 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.166 6.336 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.260 7.673 3.084 1.00 0.00 H new ATOM 0 HG LEU A 87 11.239 8.028 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.683 6.352 6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.986 7.210 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.614 5.556 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.121 5.984 6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.147 5.178 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.201 6.580 5.083 1.00 0.00 H new ATOM 1300 N ILE A 88 10.355 10.398 3.843 1.00 0.00 N ATOM 1301 CA ILE A 88 10.782 11.776 4.051 1.00 0.00 C ATOM 1302 C ILE A 88 11.950 11.849 5.029 1.00 0.00 C ATOM 1303 O ILE A 88 11.926 11.221 6.087 1.00 0.00 O ATOM 1304 CB ILE A 88 9.628 12.649 4.581 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.374 12.452 3.727 1.00 0.00 C ATOM 1306 CG2 ILE A 88 10.039 14.114 4.601 1.00 0.00 C ATOM 1307 CD1 ILE A 88 7.105 12.925 4.399 1.00 0.00 C ATOM 0 H ILE A 88 9.733 10.035 4.566 1.00 0.00 H new ATOM 0 HA ILE A 88 11.100 12.157 3.081 1.00 0.00 H new ATOM 0 HB ILE A 88 9.399 12.342 5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.498 12.987 2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.273 11.395 3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 88 9.214 14.718 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.906 14.240 5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.292 14.435 3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.257 12.754 3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.957 12.373 5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.185 13.990 4.619 1.00 0.00 H new