USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 33 CYS SG : rot -41:sc= -0.278 USER MOD Set 1.2: A 83 CYS SG : rot 178:sc= -0.0684 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -6.5! C(o=-6.5!,f=-13!) USER MOD Single : A 18 HIS : no HE2:sc= -2.35 K(o=-2.4,f=-7.3!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.141 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.749 K(o=0.75,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.999 K(o=-1,f=-4.9!) USER MOD Single : A 40 THR OG1 : rot -160:sc= -0.974 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= -2.79 (180deg=-3.93!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 46:sc= 0.832 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.019 K(o=-0.019,f=-1.9!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -1.87! C(o=-1.9!,f=-1.9!) USER MOD Single : A 81 TYR OH : rot 133:sc= 0.00434 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.534 K(o=-0.53,f=-3.5!) USER MOD Single : A 89 GLN : amide:sc= -1.78! C(o=-1.8!,f=-1.8!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 95 GLN : amide:sc= -0.049 X(o=-0.049,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 7.924 17.770 2.683 1.00 0.00 N ATOM 89 CA VAL A 9 7.891 16.562 1.868 1.00 0.00 C ATOM 90 C VAL A 9 8.264 15.333 2.691 1.00 0.00 C ATOM 91 O VAL A 9 9.313 15.299 3.334 1.00 0.00 O ATOM 92 CB VAL A 9 8.847 16.670 0.665 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.823 15.388 -0.153 1.00 0.00 C ATOM 94 CG2 VAL A 9 8.484 17.869 -0.197 1.00 0.00 C ATOM 0 HA VAL A 9 6.870 16.455 1.503 1.00 0.00 H new ATOM 0 HB VAL A 9 9.860 16.814 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.504 15.483 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.135 14.552 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.812 15.209 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.169 17.930 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.464 17.757 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.558 18.780 0.397 1.00 0.00 H new ATOM 104 N VAL A 10 7.397 14.325 2.665 1.00 0.00 N ATOM 105 CA VAL A 10 7.636 13.093 3.407 1.00 0.00 C ATOM 106 C VAL A 10 8.173 11.997 2.494 1.00 0.00 C ATOM 107 O VAL A 10 9.078 11.251 2.867 1.00 0.00 O ATOM 108 CB VAL A 10 6.350 12.592 4.091 1.00 0.00 C ATOM 109 CG1 VAL A 10 6.576 11.224 4.717 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.878 13.593 5.135 1.00 0.00 C ATOM 0 H VAL A 10 6.524 14.338 2.138 1.00 0.00 H new ATOM 0 HA VAL A 10 8.379 13.322 4.170 1.00 0.00 H new ATOM 0 HB VAL A 10 5.571 12.495 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.657 10.886 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.865 10.513 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.369 11.291 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.968 13.223 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.653 13.724 5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.674 14.550 4.655 1.00 0.00 H new ATOM 120 N PHE A 11 7.608 11.905 1.294 1.00 0.00 N ATOM 121 CA PHE A 11 8.030 10.898 0.326 1.00 0.00 C ATOM 122 C PHE A 11 8.867 11.528 -0.783 1.00 0.00 C ATOM 123 O PHE A 11 9.128 12.731 -0.772 1.00 0.00 O ATOM 124 CB PHE A 11 6.811 10.196 -0.275 1.00 0.00 C ATOM 125 CG PHE A 11 6.141 9.242 0.672 1.00 0.00 C ATOM 126 CD1 PHE A 11 5.168 9.687 1.552 1.00 0.00 C ATOM 127 CD2 PHE A 11 6.485 7.899 0.682 1.00 0.00 C ATOM 128 CE1 PHE A 11 4.551 8.810 2.425 1.00 0.00 C ATOM 129 CE2 PHE A 11 5.871 7.018 1.552 1.00 0.00 C ATOM 130 CZ PHE A 11 4.902 7.474 2.424 1.00 0.00 C ATOM 0 H PHE A 11 6.858 12.515 0.969 1.00 0.00 H new ATOM 0 HA PHE A 11 8.643 10.163 0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.088 10.948 -0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.119 9.653 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.888 10.730 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.242 7.537 0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.795 9.169 3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.149 5.974 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.420 6.787 3.104 1.00 0.00 H new ATOM 140 N ALA A 12 9.285 10.706 -1.740 1.00 0.00 N ATOM 141 CA ALA A 12 10.091 11.181 -2.857 1.00 0.00 C ATOM 142 C ALA A 12 9.325 12.203 -3.691 1.00 0.00 C ATOM 143 O ALA A 12 8.148 12.465 -3.444 1.00 0.00 O ATOM 144 CB ALA A 12 10.532 10.012 -3.725 1.00 0.00 C ATOM 0 H ALA A 12 9.078 9.707 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 12 10.976 11.672 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.133 10.382 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.125 9.319 -3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.654 9.496 -4.114 1.00 0.00 H new ATOM 150 N LYS A 13 10.001 12.778 -4.681 1.00 0.00 N ATOM 151 CA LYS A 13 9.384 13.771 -5.552 1.00 0.00 C ATOM 152 C LYS A 13 9.292 13.255 -6.985 1.00 0.00 C ATOM 153 O LYS A 13 8.498 13.751 -7.783 1.00 0.00 O ATOM 154 CB LYS A 13 10.183 15.075 -5.519 1.00 0.00 C ATOM 155 CG LYS A 13 11.647 14.901 -5.884 1.00 0.00 C ATOM 156 CD LYS A 13 12.506 14.673 -4.651 1.00 0.00 C ATOM 157 CE LYS A 13 13.984 14.858 -4.958 1.00 0.00 C ATOM 158 NZ LYS A 13 14.842 14.485 -3.801 1.00 0.00 N ATOM 0 H LYS A 13 10.976 12.573 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 13 8.375 13.961 -5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.728 15.788 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.115 15.508 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.755 14.057 -6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.998 15.786 -6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.207 15.367 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.336 13.666 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.254 14.250 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.171 15.897 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.842 14.625 -4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.602 15.082 -2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.683 13.486 -3.558 1.00 0.00 H new ATOM 172 N GLU A 14 10.110 12.256 -7.303 1.00 0.00 N ATOM 173 CA GLU A 14 10.119 11.673 -8.640 1.00 0.00 C ATOM 174 C GLU A 14 9.308 10.381 -8.675 1.00 0.00 C ATOM 175 O GLU A 14 9.619 9.463 -9.434 1.00 0.00 O ATOM 176 CB GLU A 14 11.555 11.400 -9.091 1.00 0.00 C ATOM 177 CG GLU A 14 12.197 12.569 -9.819 1.00 0.00 C ATOM 178 CD GLU A 14 11.396 13.014 -11.028 1.00 0.00 C ATOM 179 OE1 GLU A 14 10.888 12.137 -11.757 1.00 0.00 O ATOM 180 OE2 GLU A 14 11.279 14.238 -11.244 1.00 0.00 O ATOM 0 H GLU A 14 10.774 11.834 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 14 9.661 12.387 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.159 11.150 -8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.562 10.528 -9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.304 13.407 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.201 12.287 -10.136 1.00 0.00 H new ATOM 187 N GLN A 15 8.269 10.318 -7.849 1.00 0.00 N ATOM 188 CA GLN A 15 7.414 9.138 -7.786 1.00 0.00 C ATOM 189 C GLN A 15 5.947 9.518 -7.954 1.00 0.00 C ATOM 190 O GLN A 15 5.492 10.559 -7.479 1.00 0.00 O ATOM 191 CB GLN A 15 7.615 8.408 -6.456 1.00 0.00 C ATOM 192 CG GLN A 15 7.376 9.286 -5.238 1.00 0.00 C ATOM 193 CD GLN A 15 7.313 8.491 -3.949 1.00 0.00 C ATOM 194 OE1 GLN A 15 6.408 8.679 -3.135 1.00 0.00 O ATOM 195 NE2 GLN A 15 8.275 7.597 -3.757 1.00 0.00 N ATOM 0 H GLN A 15 7.999 11.069 -7.214 1.00 0.00 H new ATOM 0 HA GLN A 15 7.694 8.474 -8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.941 7.553 -6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.631 8.015 -6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.174 10.025 -5.166 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.443 9.835 -5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.005 7.475 -4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.284 7.032 -2.908 1.00 0.00 H new ATOM 204 N PRO A 16 5.188 8.657 -8.647 1.00 0.00 N ATOM 205 CA PRO A 16 3.760 8.881 -8.894 1.00 0.00 C ATOM 206 C PRO A 16 2.925 8.750 -7.625 1.00 0.00 C ATOM 207 O PRO A 16 3.239 7.950 -6.744 1.00 0.00 O ATOM 208 CB PRO A 16 3.395 7.779 -9.891 1.00 0.00 C ATOM 209 CG PRO A 16 4.393 6.701 -9.646 1.00 0.00 C ATOM 210 CD PRO A 16 5.664 7.397 -9.241 1.00 0.00 C ATOM 0 HA PRO A 16 3.563 9.888 -9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.378 7.421 -9.731 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.447 8.141 -10.918 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.052 6.024 -8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.546 6.100 -10.542 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.235 6.806 -8.525 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.314 7.577 -10.097 1.00 0.00 H new ATOM 218 N ALA A 17 1.859 9.540 -7.539 1.00 0.00 N ATOM 219 CA ALA A 17 0.977 9.510 -6.379 1.00 0.00 C ATOM 220 C ALA A 17 0.475 8.096 -6.108 1.00 0.00 C ATOM 221 O ALA A 17 0.520 7.616 -4.975 1.00 0.00 O ATOM 222 CB ALA A 17 -0.195 10.459 -6.582 1.00 0.00 C ATOM 0 H ALA A 17 1.586 10.209 -8.259 1.00 0.00 H new ATOM 0 HA ALA A 17 1.548 9.837 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.845 10.426 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.178 11.474 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.759 10.158 -7.465 1.00 0.00 H new ATOM 228 N HIS A 18 -0.005 7.432 -7.156 1.00 0.00 N ATOM 229 CA HIS A 18 -0.516 6.072 -7.030 1.00 0.00 C ATOM 230 C HIS A 18 0.054 5.174 -8.124 1.00 0.00 C ATOM 231 O HIS A 18 -0.008 5.506 -9.308 1.00 0.00 O ATOM 232 CB HIS A 18 -2.044 6.071 -7.098 1.00 0.00 C ATOM 233 CG HIS A 18 -2.617 4.811 -7.670 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.217 3.553 -7.270 1.00 0.00 N ATOM 235 CD2 HIS A 18 -3.567 4.619 -8.615 1.00 0.00 C ATOM 236 CE1 HIS A 18 -2.895 2.643 -7.946 1.00 0.00 C ATOM 237 NE2 HIS A 18 -3.721 3.263 -8.769 1.00 0.00 N ATOM 0 H HIS A 18 -0.050 7.814 -8.101 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.202 5.680 -6.063 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.444 6.220 -6.095 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.373 6.917 -7.701 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.509 3.356 -6.563 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.104 5.389 -9.149 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.791 1.573 -7.843 1.00 0.00 H new ATOM 246 N ARG A 19 0.609 4.037 -7.719 1.00 0.00 N ATOM 247 CA ARG A 19 1.192 3.092 -8.665 1.00 0.00 C ATOM 248 C ARG A 19 0.390 1.795 -8.702 1.00 0.00 C ATOM 249 O ARG A 19 -0.114 1.337 -7.677 1.00 0.00 O ATOM 250 CB ARG A 19 2.646 2.795 -8.291 1.00 0.00 C ATOM 251 CG ARG A 19 3.463 2.217 -9.435 1.00 0.00 C ATOM 252 CD ARG A 19 4.886 1.904 -9.001 1.00 0.00 C ATOM 253 NE ARG A 19 5.829 1.988 -10.113 1.00 0.00 N ATOM 254 CZ ARG A 19 7.148 1.947 -9.962 1.00 0.00 C ATOM 255 NH1 ARG A 19 7.677 1.823 -8.753 1.00 0.00 N ATOM 256 NH2 ARG A 19 7.941 2.030 -11.023 1.00 0.00 N ATOM 0 H ARG A 19 0.668 3.747 -6.743 1.00 0.00 H new ATOM 0 HA ARG A 19 1.164 3.544 -9.656 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.119 3.715 -7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.662 2.096 -7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.985 1.309 -9.802 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.482 2.925 -10.264 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.187 2.599 -8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.922 0.903 -8.570 1.00 0.00 H new ATOM 0 HE ARG A 19 5.454 2.083 -11.057 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.071 1.759 -7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.690 1.792 -8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.538 2.125 -11.955 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.954 1.998 -10.906 1.00 0.00 H new ATOM 270 N GLU A 20 0.277 1.209 -9.889 1.00 0.00 N ATOM 271 CA GLU A 20 -0.465 -0.035 -10.059 1.00 0.00 C ATOM 272 C GLU A 20 0.462 -1.242 -9.945 1.00 0.00 C ATOM 273 O GLU A 20 1.603 -1.208 -10.408 1.00 0.00 O ATOM 274 CB GLU A 20 -1.176 -0.050 -11.414 1.00 0.00 C ATOM 275 CG GLU A 20 -2.270 0.997 -11.539 1.00 0.00 C ATOM 276 CD GLU A 20 -1.718 2.397 -11.725 1.00 0.00 C ATOM 277 OE1 GLU A 20 -0.713 2.547 -12.451 1.00 0.00 O ATOM 278 OE2 GLU A 20 -2.291 3.343 -11.144 1.00 0.00 O ATOM 0 H GLU A 20 0.689 1.575 -10.747 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.210 -0.095 -9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.441 0.109 -12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.609 -1.037 -11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.911 0.748 -12.384 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.895 0.972 -10.646 1.00 0.00 H new ATOM 285 N VAL A 21 -0.036 -2.307 -9.326 1.00 0.00 N ATOM 286 CA VAL A 21 0.746 -3.525 -9.151 1.00 0.00 C ATOM 287 C VAL A 21 -0.082 -4.762 -9.480 1.00 0.00 C ATOM 288 O VAL A 21 -1.295 -4.780 -9.276 1.00 0.00 O ATOM 289 CB VAL A 21 1.282 -3.647 -7.712 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.068 -4.937 -7.542 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.139 -2.440 -7.360 1.00 0.00 C ATOM 0 H VAL A 21 -0.978 -2.351 -8.937 1.00 0.00 H new ATOM 0 HA VAL A 21 1.588 -3.461 -9.840 1.00 0.00 H new ATOM 0 HB VAL A 21 0.434 -3.675 -7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.439 -5.005 -6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.420 -5.788 -7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.910 -4.944 -8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.510 -2.542 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.982 -2.379 -8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.540 -1.533 -7.439 1.00 0.00 H new ATOM 301 N GLN A 22 0.583 -5.794 -9.989 1.00 0.00 N ATOM 302 CA GLN A 22 -0.093 -7.036 -10.346 1.00 0.00 C ATOM 303 C GLN A 22 0.691 -8.246 -9.847 1.00 0.00 C ATOM 304 O GLN A 22 1.909 -8.182 -9.682 1.00 0.00 O ATOM 305 CB GLN A 22 -0.279 -7.123 -11.862 1.00 0.00 C ATOM 306 CG GLN A 22 -1.162 -8.280 -12.301 1.00 0.00 C ATOM 307 CD GLN A 22 -1.463 -8.252 -13.787 1.00 0.00 C ATOM 308 OE1 GLN A 22 -2.010 -7.277 -14.303 1.00 0.00 O ATOM 309 NE2 GLN A 22 -1.108 -9.325 -14.483 1.00 0.00 N ATOM 0 H GLN A 22 1.588 -5.795 -10.163 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.072 -7.038 -9.867 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.713 -6.189 -12.221 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.698 -7.223 -12.334 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.672 -9.221 -12.051 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.098 -8.250 -11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.657 -10.111 -14.014 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.286 -9.364 -15.487 1.00 0.00 H new ATOM 318 N ALA A 23 -0.015 -9.346 -9.609 1.00 0.00 N ATOM 319 CA ALA A 23 0.615 -10.570 -9.131 1.00 0.00 C ATOM 320 C ALA A 23 -0.248 -11.789 -9.439 1.00 0.00 C ATOM 321 O ALA A 23 -1.395 -11.656 -9.866 1.00 0.00 O ATOM 322 CB ALA A 23 0.885 -10.476 -7.637 1.00 0.00 C ATOM 0 H ALA A 23 -1.024 -9.415 -9.740 1.00 0.00 H new ATOM 0 HA ALA A 23 1.564 -10.688 -9.654 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.356 -11.397 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.548 -9.634 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.055 -10.329 -7.106 1.00 0.00 H new ATOM 328 N GLU A 24 0.311 -12.975 -9.221 1.00 0.00 N ATOM 329 CA GLU A 24 -0.409 -14.217 -9.478 1.00 0.00 C ATOM 330 C GLU A 24 -0.812 -14.892 -8.170 1.00 0.00 C ATOM 331 O GLU A 24 -0.194 -14.670 -7.129 1.00 0.00 O ATOM 332 CB GLU A 24 0.452 -15.168 -10.312 1.00 0.00 C ATOM 333 CG GLU A 24 0.657 -14.705 -11.744 1.00 0.00 C ATOM 334 CD GLU A 24 0.834 -15.861 -12.710 1.00 0.00 C ATOM 335 OE1 GLU A 24 1.893 -16.521 -12.656 1.00 0.00 O ATOM 336 OE2 GLU A 24 -0.084 -16.104 -13.520 1.00 0.00 O ATOM 0 H GLU A 24 1.259 -13.102 -8.867 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.314 -13.975 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.424 -15.279 -9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.014 -16.153 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.198 -14.105 -12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.534 -14.059 -11.791 1.00 0.00 H new ATOM 343 N ALA A 25 -1.853 -15.716 -8.233 1.00 0.00 N ATOM 344 CA ALA A 25 -2.338 -16.425 -7.055 1.00 0.00 C ATOM 345 C ALA A 25 -1.260 -17.338 -6.481 1.00 0.00 C ATOM 346 O ALA A 25 -0.694 -18.169 -7.190 1.00 0.00 O ATOM 347 CB ALA A 25 -3.584 -17.228 -7.398 1.00 0.00 C ATOM 0 H ALA A 25 -2.376 -15.909 -9.087 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.593 -15.685 -6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.935 -17.752 -6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.364 -16.555 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.347 -17.953 -8.177 1.00 0.00 H new ATOM 353 N GLY A 26 -0.979 -17.177 -5.191 1.00 0.00 N ATOM 354 CA GLY A 26 0.031 -17.993 -4.544 1.00 0.00 C ATOM 355 C GLY A 26 1.414 -17.376 -4.624 1.00 0.00 C ATOM 356 O GLY A 26 2.304 -17.730 -3.852 1.00 0.00 O ATOM 0 H GLY A 26 -1.433 -16.496 -4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.239 -18.138 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.049 -18.979 -5.008 1.00 0.00 H new ATOM 360 N ALA A 27 1.594 -16.452 -5.562 1.00 0.00 N ATOM 361 CA ALA A 27 2.878 -15.784 -5.740 1.00 0.00 C ATOM 362 C ALA A 27 3.129 -14.772 -4.627 1.00 0.00 C ATOM 363 O ALA A 27 2.244 -14.491 -3.819 1.00 0.00 O ATOM 364 CB ALA A 27 2.934 -15.102 -7.099 1.00 0.00 C ATOM 0 H ALA A 27 0.867 -16.149 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 27 3.663 -16.539 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.898 -14.607 -7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.808 -15.846 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.136 -14.363 -7.168 1.00 0.00 H new ATOM 370 N SER A 28 4.341 -14.227 -4.591 1.00 0.00 N ATOM 371 CA SER A 28 4.710 -13.249 -3.574 1.00 0.00 C ATOM 372 C SER A 28 4.851 -11.858 -4.185 1.00 0.00 C ATOM 373 O SER A 28 5.817 -11.574 -4.892 1.00 0.00 O ATOM 374 CB SER A 28 6.019 -13.657 -2.896 1.00 0.00 C ATOM 375 OG SER A 28 6.254 -12.880 -1.734 1.00 0.00 O ATOM 0 H SER A 28 5.084 -14.446 -5.254 1.00 0.00 H new ATOM 0 HA SER A 28 3.917 -13.220 -2.827 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.981 -14.713 -2.630 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.848 -13.534 -3.594 1.00 0.00 H new ATOM 0 HG SER A 28 7.095 -13.161 -1.317 1.00 0.00 H new ATOM 381 N ALA A 29 3.880 -10.995 -3.905 1.00 0.00 N ATOM 382 CA ALA A 29 3.896 -9.633 -4.424 1.00 0.00 C ATOM 383 C ALA A 29 4.884 -8.764 -3.653 1.00 0.00 C ATOM 384 O ALA A 29 5.382 -9.156 -2.598 1.00 0.00 O ATOM 385 CB ALA A 29 2.501 -9.029 -4.364 1.00 0.00 C ATOM 0 H ALA A 29 3.073 -11.215 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 29 4.219 -9.670 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.528 -8.012 -4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.818 -9.630 -4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.156 -9.012 -3.330 1.00 0.00 H new ATOM 391 N THR A 30 5.166 -7.579 -4.188 1.00 0.00 N ATOM 392 CA THR A 30 6.096 -6.655 -3.553 1.00 0.00 C ATOM 393 C THR A 30 5.796 -5.214 -3.948 1.00 0.00 C ATOM 394 O THR A 30 5.862 -4.856 -5.125 1.00 0.00 O ATOM 395 CB THR A 30 7.555 -6.984 -3.922 1.00 0.00 C ATOM 396 OG1 THR A 30 7.841 -8.353 -3.616 1.00 0.00 O ATOM 397 CG2 THR A 30 8.520 -6.079 -3.171 1.00 0.00 C ATOM 0 H THR A 30 4.763 -7.238 -5.060 1.00 0.00 H new ATOM 0 HA THR A 30 5.967 -6.767 -2.476 1.00 0.00 H new ATOM 0 HB THR A 30 7.683 -6.817 -4.992 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.770 -8.554 -3.855 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.544 -6.330 -3.448 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.319 -5.039 -3.429 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.389 -6.219 -2.098 1.00 0.00 H new ATOM 405 N LEU A 31 5.467 -4.390 -2.959 1.00 0.00 N ATOM 406 CA LEU A 31 5.157 -2.986 -3.204 1.00 0.00 C ATOM 407 C LEU A 31 6.268 -2.083 -2.677 1.00 0.00 C ATOM 408 O LEU A 31 6.304 -1.756 -1.491 1.00 0.00 O ATOM 409 CB LEU A 31 3.827 -2.615 -2.547 1.00 0.00 C ATOM 410 CG LEU A 31 2.679 -3.604 -2.749 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.470 -3.195 -1.922 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.311 -3.700 -4.222 1.00 0.00 C ATOM 0 H LEU A 31 5.408 -4.670 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 31 5.076 -2.840 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.994 -2.497 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.514 -1.643 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 31 3.008 -4.587 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.663 -3.911 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.740 -3.178 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.139 -2.202 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.492 -4.408 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.001 -2.720 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.176 -4.041 -4.792 1.00 0.00 H new ATOM 424 N SER A 32 7.171 -1.683 -3.566 1.00 0.00 N ATOM 425 CA SER A 32 8.284 -0.820 -3.190 1.00 0.00 C ATOM 426 C SER A 32 7.918 0.650 -3.377 1.00 0.00 C ATOM 427 O SER A 32 7.170 1.004 -4.289 1.00 0.00 O ATOM 428 CB SER A 32 9.523 -1.158 -4.021 1.00 0.00 C ATOM 429 OG SER A 32 10.472 -0.107 -3.973 1.00 0.00 O ATOM 0 H SER A 32 7.154 -1.943 -4.552 1.00 0.00 H new ATOM 0 HA SER A 32 8.505 -0.991 -2.136 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.975 -2.077 -3.648 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.232 -1.342 -5.055 1.00 0.00 H new ATOM 0 HG SER A 32 11.255 -0.348 -4.511 1.00 0.00 H new ATOM 435 N CYS A 33 8.451 1.501 -2.507 1.00 0.00 N ATOM 436 CA CYS A 33 8.181 2.932 -2.574 1.00 0.00 C ATOM 437 C CYS A 33 9.313 3.730 -1.934 1.00 0.00 C ATOM 438 O CYS A 33 9.791 3.388 -0.854 1.00 0.00 O ATOM 439 CB CYS A 33 6.857 3.256 -1.880 1.00 0.00 C ATOM 440 SG CYS A 33 6.810 2.800 -0.131 1.00 0.00 S ATOM 0 H CYS A 33 9.073 1.224 -1.747 1.00 0.00 H new ATOM 0 HA CYS A 33 8.111 3.214 -3.625 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.663 4.325 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.050 2.740 -2.401 1.00 0.00 H new ATOM 0 HG CYS A 33 7.385 1.646 0.032 1.00 0.00 H new ATOM 446 N GLU A 34 9.736 4.793 -2.611 1.00 0.00 N ATOM 447 CA GLU A 34 10.814 5.637 -2.108 1.00 0.00 C ATOM 448 C GLU A 34 10.292 6.624 -1.068 1.00 0.00 C ATOM 449 O GLU A 34 9.093 6.892 -0.997 1.00 0.00 O ATOM 450 CB GLU A 34 11.477 6.396 -3.260 1.00 0.00 C ATOM 451 CG GLU A 34 12.154 5.491 -4.275 1.00 0.00 C ATOM 452 CD GLU A 34 12.605 6.239 -5.515 1.00 0.00 C ATOM 453 OE1 GLU A 34 13.627 6.952 -5.438 1.00 0.00 O ATOM 454 OE2 GLU A 34 11.935 6.111 -6.561 1.00 0.00 O ATOM 0 H GLU A 34 9.350 5.090 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 34 11.554 4.993 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.724 6.998 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.215 7.086 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.016 5.012 -3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.465 4.697 -4.565 1.00 0.00 H new ATOM 461 N VAL A 35 11.202 7.162 -0.262 1.00 0.00 N ATOM 462 CA VAL A 35 10.836 8.120 0.774 1.00 0.00 C ATOM 463 C VAL A 35 11.818 9.284 0.819 1.00 0.00 C ATOM 464 O VAL A 35 12.941 9.181 0.327 1.00 0.00 O ATOM 465 CB VAL A 35 10.783 7.453 2.162 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.488 6.673 2.331 1.00 0.00 C ATOM 467 CG2 VAL A 35 11.990 6.549 2.364 1.00 0.00 C ATOM 0 H VAL A 35 12.199 6.950 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 35 9.844 8.495 0.521 1.00 0.00 H new ATOM 0 HB VAL A 35 10.810 8.233 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.469 6.209 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.640 7.350 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.426 5.900 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.937 6.086 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.996 5.773 1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.903 7.139 2.289 1.00 0.00 H new ATOM 477 N ALA A 36 11.388 10.392 1.413 1.00 0.00 N ATOM 478 CA ALA A 36 12.230 11.576 1.525 1.00 0.00 C ATOM 479 C ALA A 36 13.198 11.453 2.697 1.00 0.00 C ATOM 480 O ALA A 36 14.278 12.043 2.686 1.00 0.00 O ATOM 481 CB ALA A 36 11.372 12.823 1.676 1.00 0.00 C ATOM 0 H ALA A 36 10.460 10.494 1.824 1.00 0.00 H new ATOM 0 HA ALA A 36 12.817 11.661 0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.015 13.699 1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.726 12.928 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.759 12.737 2.573 1.00 0.00 H new ATOM 487 N GLN A 37 12.802 10.684 3.706 1.00 0.00 N ATOM 488 CA GLN A 37 13.635 10.485 4.887 1.00 0.00 C ATOM 489 C GLN A 37 13.680 9.012 5.280 1.00 0.00 C ATOM 490 O GLN A 37 12.778 8.244 4.948 1.00 0.00 O ATOM 491 CB GLN A 37 13.108 11.321 6.055 1.00 0.00 C ATOM 492 CG GLN A 37 12.899 12.786 5.709 1.00 0.00 C ATOM 493 CD GLN A 37 14.136 13.627 5.955 1.00 0.00 C ATOM 494 OE1 GLN A 37 14.338 14.149 7.051 1.00 0.00 O ATOM 495 NE2 GLN A 37 14.973 13.762 4.932 1.00 0.00 N ATOM 0 H GLN A 37 11.911 10.189 3.730 1.00 0.00 H new ATOM 0 HA GLN A 37 14.647 10.808 4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.163 10.898 6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.808 11.249 6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.610 12.870 4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.073 13.181 6.300 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.766 13.311 4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.823 14.316 5.038 1.00 0.00 H new ATOM 504 N ALA A 38 14.737 8.626 5.987 1.00 0.00 N ATOM 505 CA ALA A 38 14.898 7.245 6.426 1.00 0.00 C ATOM 506 C ALA A 38 14.303 7.038 7.815 1.00 0.00 C ATOM 507 O ALA A 38 13.350 6.278 7.984 1.00 0.00 O ATOM 508 CB ALA A 38 16.369 6.858 6.417 1.00 0.00 C ATOM 0 H ALA A 38 15.494 9.249 6.268 1.00 0.00 H new ATOM 0 HA ALA A 38 14.360 6.602 5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.475 5.825 6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.766 6.959 5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.922 7.513 7.091 1.00 0.00 H new ATOM 514 N GLN A 39 14.872 7.717 8.805 1.00 0.00 N ATOM 515 CA GLN A 39 14.398 7.605 10.180 1.00 0.00 C ATOM 516 C GLN A 39 12.875 7.678 10.237 1.00 0.00 C ATOM 517 O GLN A 39 12.253 7.168 11.170 1.00 0.00 O ATOM 518 CB GLN A 39 15.006 8.711 11.043 1.00 0.00 C ATOM 519 CG GLN A 39 14.434 10.090 10.758 1.00 0.00 C ATOM 520 CD GLN A 39 15.209 10.834 9.689 1.00 0.00 C ATOM 521 OE1 GLN A 39 15.162 10.478 8.511 1.00 0.00 O ATOM 522 NE2 GLN A 39 15.927 11.874 10.094 1.00 0.00 N ATOM 0 H GLN A 39 15.662 8.351 8.681 1.00 0.00 H new ATOM 0 HA GLN A 39 14.713 6.637 10.569 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.845 8.470 12.094 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.084 8.734 10.883 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.395 9.990 10.445 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.435 10.677 11.677 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.937 12.134 11.080 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.469 12.414 9.419 1.00 0.00 H new ATOM 531 N THR A 40 12.280 8.316 9.235 1.00 0.00 N ATOM 532 CA THR A 40 10.831 8.457 9.172 1.00 0.00 C ATOM 533 C THR A 40 10.150 7.098 9.057 1.00 0.00 C ATOM 534 O THR A 40 10.349 6.375 8.081 1.00 0.00 O ATOM 535 CB THR A 40 10.403 9.335 7.981 1.00 0.00 C ATOM 536 OG1 THR A 40 10.841 10.683 8.184 1.00 0.00 O ATOM 537 CG2 THR A 40 8.892 9.308 7.804 1.00 0.00 C ATOM 0 H THR A 40 12.780 8.744 8.455 1.00 0.00 H new ATOM 0 HA THR A 40 10.520 8.938 10.099 1.00 0.00 H new ATOM 0 HB THR A 40 10.865 8.935 7.079 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.317 11.286 7.617 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.614 9.935 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.565 8.284 7.620 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.413 9.685 8.708 1.00 0.00 H new ATOM 545 N GLU A 41 9.347 6.756 10.060 1.00 0.00 N ATOM 546 CA GLU A 41 8.638 5.482 10.070 1.00 0.00 C ATOM 547 C GLU A 41 7.391 5.547 9.192 1.00 0.00 C ATOM 548 O GLU A 41 6.820 6.617 8.984 1.00 0.00 O ATOM 549 CB GLU A 41 8.249 5.101 11.500 1.00 0.00 C ATOM 550 CG GLU A 41 9.314 4.298 12.227 1.00 0.00 C ATOM 551 CD GLU A 41 8.732 3.373 13.278 1.00 0.00 C ATOM 552 OE1 GLU A 41 7.840 2.570 12.933 1.00 0.00 O ATOM 553 OE2 GLU A 41 9.169 3.452 14.445 1.00 0.00 O ATOM 0 H GLU A 41 9.171 7.343 10.875 1.00 0.00 H new ATOM 0 HA GLU A 41 9.306 4.720 9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.042 6.010 12.065 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.325 4.524 11.475 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.878 3.710 11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.019 4.981 12.700 1.00 0.00 H new ATOM 560 N VAL A 42 6.976 4.393 8.679 1.00 0.00 N ATOM 561 CA VAL A 42 5.797 4.317 7.824 1.00 0.00 C ATOM 562 C VAL A 42 4.839 3.232 8.303 1.00 0.00 C ATOM 563 O VAL A 42 5.212 2.362 9.091 1.00 0.00 O ATOM 564 CB VAL A 42 6.183 4.036 6.359 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.341 4.925 5.932 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.531 2.567 6.174 1.00 0.00 C ATOM 0 H VAL A 42 7.438 3.498 8.840 1.00 0.00 H new ATOM 0 HA VAL A 42 5.301 5.286 7.882 1.00 0.00 H new ATOM 0 HB VAL A 42 5.327 4.266 5.724 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.600 4.712 4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.050 5.971 6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.204 4.729 6.569 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.801 2.385 5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.372 2.308 6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.670 1.953 6.438 1.00 0.00 H new ATOM 576 N THR A 43 3.601 3.288 7.821 1.00 0.00 N ATOM 577 CA THR A 43 2.589 2.311 8.200 1.00 0.00 C ATOM 578 C THR A 43 1.610 2.062 7.059 1.00 0.00 C ATOM 579 O THR A 43 0.757 2.901 6.766 1.00 0.00 O ATOM 580 CB THR A 43 1.804 2.769 9.444 1.00 0.00 C ATOM 581 OG1 THR A 43 2.711 3.084 10.507 1.00 0.00 O ATOM 582 CG2 THR A 43 0.835 1.688 9.901 1.00 0.00 C ATOM 0 H THR A 43 3.276 4.000 7.167 1.00 0.00 H new ATOM 0 HA THR A 43 3.115 1.385 8.432 1.00 0.00 H new ATOM 0 HB THR A 43 1.233 3.658 9.179 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.204 3.376 11.294 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.292 2.034 10.781 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.128 1.471 9.100 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.390 0.783 10.150 1.00 0.00 H new ATOM 590 N TRP A 44 1.737 0.906 6.418 1.00 0.00 N ATOM 591 CA TRP A 44 0.862 0.548 5.307 1.00 0.00 C ATOM 592 C TRP A 44 -0.595 0.503 5.755 1.00 0.00 C ATOM 593 O TRP A 44 -0.886 0.274 6.929 1.00 0.00 O ATOM 594 CB TRP A 44 1.271 -0.806 4.725 1.00 0.00 C ATOM 595 CG TRP A 44 2.633 -0.797 4.100 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.826 -1.009 4.731 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.943 -0.562 2.722 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.858 -0.920 3.828 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.342 -0.647 2.589 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.173 -0.289 1.588 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.986 -0.468 1.367 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.813 -0.111 0.376 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.208 -0.202 0.273 1.00 0.00 C ATOM 0 H TRP A 44 2.437 0.201 6.648 1.00 0.00 H new ATOM 0 HA TRP A 44 0.963 1.312 4.536 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.247 -1.556 5.516 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.538 -1.108 3.977 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.941 -1.216 5.785 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.848 -1.038 4.045 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.098 -0.218 1.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.061 -0.537 1.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.228 0.102 -0.507 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.678 -0.059 -0.689 1.00 0.00 H new ATOM 614 N TYR A 45 -1.506 0.723 4.814 1.00 0.00 N ATOM 615 CA TYR A 45 -2.933 0.710 5.113 1.00 0.00 C ATOM 616 C TYR A 45 -3.735 0.202 3.918 1.00 0.00 C ATOM 617 O TYR A 45 -3.732 0.811 2.849 1.00 0.00 O ATOM 618 CB TYR A 45 -3.407 2.111 5.500 1.00 0.00 C ATOM 619 CG TYR A 45 -2.929 2.556 6.865 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.587 2.149 8.019 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.822 3.384 6.999 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.155 2.553 9.267 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.382 3.792 8.244 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.052 3.374 9.374 1.00 0.00 C ATOM 625 OH TYR A 45 -1.618 3.779 10.616 1.00 0.00 O ATOM 0 H TYR A 45 -1.282 0.913 3.837 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.096 0.034 5.952 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.058 2.823 4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.497 2.135 5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.451 1.506 7.939 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.296 3.715 6.115 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.678 2.228 10.154 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.518 4.435 8.331 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.830 4.352 10.516 1.00 0.00 H new ATOM 635 N LYS A 46 -4.422 -0.919 4.110 1.00 0.00 N ATOM 636 CA LYS A 46 -5.231 -1.511 3.051 1.00 0.00 C ATOM 637 C LYS A 46 -6.701 -1.136 3.216 1.00 0.00 C ATOM 638 O LYS A 46 -7.253 -1.220 4.313 1.00 0.00 O ATOM 639 CB LYS A 46 -5.079 -3.034 3.055 1.00 0.00 C ATOM 640 CG LYS A 46 -5.690 -3.710 1.840 1.00 0.00 C ATOM 641 CD LYS A 46 -5.231 -5.153 1.714 1.00 0.00 C ATOM 642 CE LYS A 46 -5.739 -5.789 0.429 1.00 0.00 C ATOM 643 NZ LYS A 46 -5.620 -4.865 -0.732 1.00 0.00 N ATOM 0 H LYS A 46 -4.435 -1.436 4.989 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.878 -1.120 2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.019 -3.285 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.544 -3.435 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.777 -3.678 1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.415 -3.160 0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.142 -5.193 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.588 -5.725 2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.175 -6.700 0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.782 -6.081 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.748 -5.399 -1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.350 -4.127 -0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.679 -4.422 -0.728 1.00 0.00 H new ATOM 657 N ASP A 47 -7.328 -0.724 2.119 1.00 0.00 N ATOM 658 CA ASP A 47 -8.734 -0.339 2.142 1.00 0.00 C ATOM 659 C ASP A 47 -9.055 0.472 3.394 1.00 0.00 C ATOM 660 O ASP A 47 -10.107 0.295 4.007 1.00 0.00 O ATOM 661 CB ASP A 47 -9.626 -1.580 2.080 1.00 0.00 C ATOM 662 CG ASP A 47 -9.516 -2.305 0.753 1.00 0.00 C ATOM 663 OD1 ASP A 47 -8.399 -2.740 0.406 1.00 0.00 O ATOM 664 OD2 ASP A 47 -10.548 -2.439 0.062 1.00 0.00 O ATOM 0 H ASP A 47 -6.885 -0.648 1.203 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.929 0.283 1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.353 -2.261 2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.663 -1.288 2.246 1.00 0.00 H new ATOM 669 N GLY A 48 -8.140 1.361 3.768 1.00 0.00 N ATOM 670 CA GLY A 48 -8.344 2.184 4.946 1.00 0.00 C ATOM 671 C GLY A 48 -8.303 1.380 6.230 1.00 0.00 C ATOM 672 O GLY A 48 -9.086 1.621 7.149 1.00 0.00 O ATOM 0 H GLY A 48 -7.262 1.526 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.578 2.958 4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.306 2.691 4.869 1.00 0.00 H new ATOM 676 N LYS A 49 -7.387 0.419 6.295 1.00 0.00 N ATOM 677 CA LYS A 49 -7.246 -0.425 7.475 1.00 0.00 C ATOM 678 C LYS A 49 -5.775 -0.648 7.812 1.00 0.00 C ATOM 679 O LYS A 49 -4.938 -0.787 6.920 1.00 0.00 O ATOM 680 CB LYS A 49 -7.939 -1.771 7.251 1.00 0.00 C ATOM 681 CG LYS A 49 -9.403 -1.646 6.867 1.00 0.00 C ATOM 682 CD LYS A 49 -10.276 -1.367 8.079 1.00 0.00 C ATOM 683 CE LYS A 49 -10.694 -2.655 8.772 1.00 0.00 C ATOM 684 NZ LYS A 49 -11.907 -2.462 9.613 1.00 0.00 N ATOM 0 H LYS A 49 -6.731 0.206 5.544 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.719 0.085 8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.412 -2.315 6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.860 -2.366 8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.522 -0.843 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.733 -2.566 6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.734 -0.734 8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.163 -0.814 7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.889 -3.423 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.874 -3.016 9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.160 -3.362 10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.713 -1.747 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.696 -2.142 9.016 1.00 0.00 H new ATOM 698 N LYS A 50 -5.467 -0.683 9.104 1.00 0.00 N ATOM 699 CA LYS A 50 -4.098 -0.892 9.559 1.00 0.00 C ATOM 700 C LYS A 50 -3.627 -2.307 9.237 1.00 0.00 C ATOM 701 O LYS A 50 -4.204 -3.287 9.711 1.00 0.00 O ATOM 702 CB LYS A 50 -3.995 -0.639 11.065 1.00 0.00 C ATOM 703 CG LYS A 50 -2.566 -0.594 11.578 1.00 0.00 C ATOM 704 CD LYS A 50 -2.508 -0.137 13.026 1.00 0.00 C ATOM 705 CE LYS A 50 -2.730 1.362 13.147 1.00 0.00 C ATOM 706 NZ LYS A 50 -3.114 1.757 14.531 1.00 0.00 N ATOM 0 H LYS A 50 -6.148 -0.569 9.855 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.455 -0.186 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.487 0.305 11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.538 -1.422 11.594 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.115 -1.582 11.489 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.977 0.082 10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.264 -0.666 13.606 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.539 -0.398 13.452 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.820 1.888 12.859 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.511 1.671 12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.256 2.786 14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.996 1.275 14.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.358 1.486 15.192 1.00 0.00 H new ATOM 720 N LEU A 51 -2.577 -2.406 8.430 1.00 0.00 N ATOM 721 CA LEU A 51 -2.027 -3.702 8.046 1.00 0.00 C ATOM 722 C LEU A 51 -1.065 -4.222 9.109 1.00 0.00 C ATOM 723 O LEU A 51 -0.541 -3.454 9.916 1.00 0.00 O ATOM 724 CB LEU A 51 -1.309 -3.595 6.700 1.00 0.00 C ATOM 725 CG LEU A 51 -2.205 -3.428 5.472 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.488 -2.632 4.393 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.637 -4.785 4.939 1.00 0.00 C ATOM 0 H LEU A 51 -2.089 -1.605 8.029 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.853 -4.407 7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.624 -2.748 6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.702 -4.490 6.563 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.097 -2.876 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.141 -2.523 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.230 -1.646 4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.578 -3.156 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.274 -4.647 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.756 -5.363 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.191 -5.320 5.711 1.00 0.00 H new ATOM 739 N SER A 52 -0.835 -5.531 9.102 1.00 0.00 N ATOM 740 CA SER A 52 0.064 -6.155 10.066 1.00 0.00 C ATOM 741 C SER A 52 1.206 -6.876 9.357 1.00 0.00 C ATOM 742 O SER A 52 1.064 -7.317 8.217 1.00 0.00 O ATOM 743 CB SER A 52 -0.705 -7.139 10.950 1.00 0.00 C ATOM 744 OG SER A 52 0.155 -7.761 11.888 1.00 0.00 O ATOM 0 H SER A 52 -1.259 -6.180 8.439 1.00 0.00 H new ATOM 0 HA SER A 52 0.487 -5.369 10.692 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.503 -6.614 11.476 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.179 -7.898 10.328 1.00 0.00 H new ATOM 0 HG SER A 52 -0.361 -8.384 12.442 1.00 0.00 H new ATOM 750 N SER A 53 2.340 -6.991 10.041 1.00 0.00 N ATOM 751 CA SER A 53 3.509 -7.655 9.477 1.00 0.00 C ATOM 752 C SER A 53 3.605 -9.097 9.967 1.00 0.00 C ATOM 753 O SER A 53 4.318 -9.391 10.927 1.00 0.00 O ATOM 754 CB SER A 53 4.783 -6.893 9.847 1.00 0.00 C ATOM 755 OG SER A 53 4.952 -6.833 11.253 1.00 0.00 O ATOM 0 H SER A 53 2.474 -6.633 10.987 1.00 0.00 H new ATOM 0 HA SER A 53 3.402 -7.665 8.392 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.646 -7.381 9.394 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.738 -5.883 9.440 1.00 0.00 H new ATOM 0 HG SER A 53 4.786 -7.718 11.640 1.00 0.00 H new ATOM 761 N SER A 54 2.882 -9.991 9.301 1.00 0.00 N ATOM 762 CA SER A 54 2.882 -11.402 9.670 1.00 0.00 C ATOM 763 C SER A 54 3.542 -12.248 8.585 1.00 0.00 C ATOM 764 O SER A 54 3.798 -11.770 7.480 1.00 0.00 O ATOM 765 CB SER A 54 1.451 -11.887 9.911 1.00 0.00 C ATOM 766 OG SER A 54 1.431 -13.000 10.789 1.00 0.00 O ATOM 0 H SER A 54 2.289 -9.764 8.503 1.00 0.00 H new ATOM 0 HA SER A 54 3.456 -11.512 10.590 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.855 -11.077 10.332 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.992 -12.161 8.961 1.00 0.00 H new ATOM 0 HG SER A 54 0.505 -13.290 10.928 1.00 0.00 H new ATOM 772 N SER A 55 3.814 -13.507 8.910 1.00 0.00 N ATOM 773 CA SER A 55 4.448 -14.420 7.965 1.00 0.00 C ATOM 774 C SER A 55 3.985 -14.134 6.540 1.00 0.00 C ATOM 775 O SER A 55 4.779 -14.165 5.599 1.00 0.00 O ATOM 776 CB SER A 55 4.132 -15.871 8.335 1.00 0.00 C ATOM 777 OG SER A 55 5.056 -16.368 9.287 1.00 0.00 O ATOM 0 H SER A 55 3.606 -13.919 9.820 1.00 0.00 H new ATOM 0 HA SER A 55 5.526 -14.266 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.121 -15.935 8.737 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.159 -16.492 7.439 1.00 0.00 H new ATOM 0 HG SER A 55 4.831 -17.296 9.508 1.00 0.00 H new ATOM 783 N LYS A 56 2.695 -13.855 6.388 1.00 0.00 N ATOM 784 CA LYS A 56 2.124 -13.562 5.079 1.00 0.00 C ATOM 785 C LYS A 56 2.733 -12.293 4.492 1.00 0.00 C ATOM 786 O LYS A 56 3.403 -12.333 3.460 1.00 0.00 O ATOM 787 CB LYS A 56 0.605 -13.411 5.185 1.00 0.00 C ATOM 788 CG LYS A 56 -0.148 -14.724 5.054 1.00 0.00 C ATOM 789 CD LYS A 56 -0.268 -15.156 3.603 1.00 0.00 C ATOM 790 CE LYS A 56 -1.296 -14.320 2.856 1.00 0.00 C ATOM 791 NZ LYS A 56 -2.671 -14.877 2.994 1.00 0.00 N ATOM 0 H LYS A 56 2.025 -13.826 7.156 1.00 0.00 H new ATOM 0 HA LYS A 56 2.354 -14.395 4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.360 -12.955 6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.262 -12.726 4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.367 -15.498 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.143 -14.618 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.702 -15.065 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.550 -16.208 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.278 -13.298 3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.028 -14.273 1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.342 -14.279 2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.695 -15.843 2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.937 -14.899 3.999 1.00 0.00 H new ATOM 805 N VAL A 57 2.496 -11.166 5.157 1.00 0.00 N ATOM 806 CA VAL A 57 3.023 -9.885 4.703 1.00 0.00 C ATOM 807 C VAL A 57 4.194 -9.434 5.568 1.00 0.00 C ATOM 808 O VAL A 57 4.131 -9.493 6.796 1.00 0.00 O ATOM 809 CB VAL A 57 1.937 -8.793 4.720 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.515 -7.457 4.280 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.766 -9.193 3.834 1.00 0.00 C ATOM 0 H VAL A 57 1.942 -11.115 6.012 1.00 0.00 H new ATOM 0 HA VAL A 57 3.366 -10.030 3.679 1.00 0.00 H new ATOM 0 HB VAL A 57 1.572 -8.685 5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.733 -6.698 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.318 -7.167 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.909 -7.547 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.008 -8.410 3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.114 -9.330 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.336 -10.126 4.199 1.00 0.00 H new ATOM 821 N ARG A 58 5.263 -8.983 4.919 1.00 0.00 N ATOM 822 CA ARG A 58 6.450 -8.523 5.630 1.00 0.00 C ATOM 823 C ARG A 58 6.783 -7.082 5.255 1.00 0.00 C ATOM 824 O ARG A 58 6.954 -6.758 4.080 1.00 0.00 O ATOM 825 CB ARG A 58 7.641 -9.430 5.317 1.00 0.00 C ATOM 826 CG ARG A 58 8.968 -8.891 5.828 1.00 0.00 C ATOM 827 CD ARG A 58 10.091 -9.896 5.628 1.00 0.00 C ATOM 828 NE ARG A 58 10.049 -10.968 6.619 1.00 0.00 N ATOM 829 CZ ARG A 58 10.610 -12.159 6.438 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.254 -12.427 5.310 1.00 0.00 N ATOM 831 NH2 ARG A 58 10.529 -13.083 7.387 1.00 0.00 N ATOM 0 H ARG A 58 5.331 -8.926 3.903 1.00 0.00 H new ATOM 0 HA ARG A 58 6.242 -8.564 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.464 -10.412 5.756 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.707 -9.570 4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.210 -7.964 5.308 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.880 -8.648 6.887 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.021 -10.324 4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.051 -9.384 5.689 1.00 0.00 H new ATOM 0 HE ARG A 58 9.562 -10.793 7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.319 -11.718 4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.684 -13.342 5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.036 -12.879 8.256 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.960 -13.997 7.247 1.00 0.00 H new ATOM 845 N VAL A 59 6.872 -6.219 6.263 1.00 0.00 N ATOM 846 CA VAL A 59 7.185 -4.813 6.040 1.00 0.00 C ATOM 847 C VAL A 59 8.690 -4.572 6.077 1.00 0.00 C ATOM 848 O VAL A 59 9.283 -4.457 7.149 1.00 0.00 O ATOM 849 CB VAL A 59 6.506 -3.914 7.091 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.878 -2.456 6.867 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.996 -4.099 7.054 1.00 0.00 C ATOM 0 H VAL A 59 6.732 -6.470 7.242 1.00 0.00 H new ATOM 0 HA VAL A 59 6.804 -4.556 5.052 1.00 0.00 H new ATOM 0 HB VAL A 59 6.861 -4.207 8.079 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.389 -1.836 7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.959 -2.340 6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.553 -2.146 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.532 -3.457 7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.621 -3.833 6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.752 -5.140 7.267 1.00 0.00 H new ATOM 861 N GLU A 60 9.301 -4.496 4.899 1.00 0.00 N ATOM 862 CA GLU A 60 10.737 -4.268 4.798 1.00 0.00 C ATOM 863 C GLU A 60 11.042 -2.785 4.608 1.00 0.00 C ATOM 864 O GLU A 60 10.308 -2.072 3.924 1.00 0.00 O ATOM 865 CB GLU A 60 11.323 -5.073 3.635 1.00 0.00 C ATOM 866 CG GLU A 60 11.749 -6.479 4.022 1.00 0.00 C ATOM 867 CD GLU A 60 12.923 -6.490 4.981 1.00 0.00 C ATOM 868 OE1 GLU A 60 13.751 -5.557 4.917 1.00 0.00 O ATOM 869 OE2 GLU A 60 13.013 -7.431 5.797 1.00 0.00 O ATOM 0 H GLU A 60 8.824 -4.589 4.002 1.00 0.00 H new ATOM 0 HA GLU A 60 11.197 -4.599 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.583 -5.133 2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.184 -4.539 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.906 -6.997 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.014 -7.035 3.123 1.00 0.00 H new ATOM 876 N ALA A 61 12.129 -2.327 5.221 1.00 0.00 N ATOM 877 CA ALA A 61 12.531 -0.930 5.119 1.00 0.00 C ATOM 878 C ALA A 61 14.027 -0.807 4.848 1.00 0.00 C ATOM 879 O ALA A 61 14.835 -0.777 5.776 1.00 0.00 O ATOM 880 CB ALA A 61 12.160 -0.179 6.389 1.00 0.00 C ATOM 0 H ALA A 61 12.746 -2.903 5.793 1.00 0.00 H new ATOM 0 HA ALA A 61 11.998 -0.486 4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.466 0.863 6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.081 -0.228 6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.666 -0.633 7.241 1.00 0.00 H new ATOM 886 N VAL A 62 14.389 -0.739 3.571 1.00 0.00 N ATOM 887 CA VAL A 62 15.788 -0.620 3.179 1.00 0.00 C ATOM 888 C VAL A 62 16.158 0.832 2.895 1.00 0.00 C ATOM 889 O VAL A 62 15.729 1.409 1.896 1.00 0.00 O ATOM 890 CB VAL A 62 16.096 -1.470 1.932 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.133 -2.948 2.288 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.071 -1.202 0.839 1.00 0.00 C ATOM 0 H VAL A 62 13.733 -0.764 2.790 1.00 0.00 H new ATOM 0 HA VAL A 62 16.383 -0.987 4.015 1.00 0.00 H new ATOM 0 HB VAL A 62 17.079 -1.188 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.352 -3.532 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 62 16.908 -3.123 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.166 -3.250 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.303 -1.811 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.076 -1.456 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.099 -0.147 0.565 1.00 0.00 H new ATOM 902 N GLY A 63 16.958 1.417 3.781 1.00 0.00 N ATOM 903 CA GLY A 63 17.373 2.797 3.607 1.00 0.00 C ATOM 904 C GLY A 63 16.206 3.722 3.323 1.00 0.00 C ATOM 905 O GLY A 63 15.340 3.919 4.176 1.00 0.00 O ATOM 0 H GLY A 63 17.326 0.960 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.889 3.134 4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.088 2.857 2.787 1.00 0.00 H new ATOM 909 N CYS A 64 16.183 4.291 2.123 1.00 0.00 N ATOM 910 CA CYS A 64 15.114 5.203 1.730 1.00 0.00 C ATOM 911 C CYS A 64 14.116 4.507 0.811 1.00 0.00 C ATOM 912 O CYS A 64 13.626 5.096 -0.153 1.00 0.00 O ATOM 913 CB CYS A 64 15.696 6.433 1.032 1.00 0.00 C ATOM 914 SG CYS A 64 16.453 7.630 2.157 1.00 0.00 S ATOM 0 H CYS A 64 16.892 4.137 1.406 1.00 0.00 H new ATOM 0 HA CYS A 64 14.590 5.520 2.632 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.443 6.107 0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 64 14.904 6.928 0.471 1.00 0.00 H new ATOM 0 HG CYS A 64 16.918 8.633 1.474 1.00 0.00 H new ATOM 920 N THR A 65 13.820 3.246 1.114 1.00 0.00 N ATOM 921 CA THR A 65 12.883 2.468 0.313 1.00 0.00 C ATOM 922 C THR A 65 12.086 1.504 1.184 1.00 0.00 C ATOM 923 O THR A 65 12.655 0.747 1.971 1.00 0.00 O ATOM 924 CB THR A 65 13.611 1.669 -0.784 1.00 0.00 C ATOM 925 OG1 THR A 65 14.091 2.556 -1.800 1.00 0.00 O ATOM 926 CG2 THR A 65 12.684 0.634 -1.405 1.00 0.00 C ATOM 0 H THR A 65 14.216 2.743 1.908 1.00 0.00 H new ATOM 0 HA THR A 65 12.202 3.178 -0.157 1.00 0.00 H new ATOM 0 HB THR A 65 14.454 1.151 -0.326 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.554 2.040 -2.493 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.220 0.082 -2.177 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.343 -0.058 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.824 1.136 -1.849 1.00 0.00 H new ATOM 934 N ARG A 66 10.765 1.535 1.037 1.00 0.00 N ATOM 935 CA ARG A 66 9.889 0.664 1.811 1.00 0.00 C ATOM 936 C ARG A 66 9.157 -0.318 0.901 1.00 0.00 C ATOM 937 O ARG A 66 8.317 0.078 0.093 1.00 0.00 O ATOM 938 CB ARG A 66 8.877 1.495 2.602 1.00 0.00 C ATOM 939 CG ARG A 66 9.510 2.609 3.419 1.00 0.00 C ATOM 940 CD ARG A 66 10.231 2.063 4.642 1.00 0.00 C ATOM 941 NE ARG A 66 10.976 3.102 5.347 1.00 0.00 N ATOM 942 CZ ARG A 66 12.166 3.547 4.957 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.741 3.046 3.872 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.782 4.495 5.652 1.00 0.00 N ATOM 0 H ARG A 66 10.278 2.154 0.389 1.00 0.00 H new ATOM 0 HA ARG A 66 10.506 0.096 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.155 1.929 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.322 0.836 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.214 3.163 2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.740 3.313 3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.505 1.614 5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.915 1.271 4.336 1.00 0.00 H new ATOM 0 HE ARG A 66 10.560 3.509 6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.270 2.318 3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.654 3.389 3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.342 4.883 6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.695 4.836 5.352 1.00 0.00 H new ATOM 958 N ARG A 67 9.482 -1.599 1.038 1.00 0.00 N ATOM 959 CA ARG A 67 8.856 -2.637 0.227 1.00 0.00 C ATOM 960 C ARG A 67 7.949 -3.520 1.080 1.00 0.00 C ATOM 961 O ARG A 67 8.236 -3.776 2.250 1.00 0.00 O ATOM 962 CB ARG A 67 9.924 -3.493 -0.456 1.00 0.00 C ATOM 963 CG ARG A 67 10.695 -4.384 0.504 1.00 0.00 C ATOM 964 CD ARG A 67 11.820 -5.123 -0.204 1.00 0.00 C ATOM 965 NE ARG A 67 12.679 -5.842 0.734 1.00 0.00 N ATOM 966 CZ ARG A 67 13.462 -6.856 0.384 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.494 -7.269 -0.875 1.00 0.00 N ATOM 968 NH2 ARG A 67 14.215 -7.459 1.296 1.00 0.00 N ATOM 0 H ARG A 67 10.175 -1.943 1.703 1.00 0.00 H new ATOM 0 HA ARG A 67 8.248 -2.151 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.449 -4.115 -1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.625 -2.839 -0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.107 -3.779 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.015 -5.104 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.397 -5.827 -0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.419 -4.412 -0.772 1.00 0.00 H new ATOM 0 HE ARG A 67 12.677 -5.549 1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.916 -6.808 -1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.096 -8.048 -1.141 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.192 -7.144 2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.816 -8.238 1.027 1.00 0.00 H new ATOM 982 N LEU A 68 6.854 -3.981 0.486 1.00 0.00 N ATOM 983 CA LEU A 68 5.904 -4.836 1.190 1.00 0.00 C ATOM 984 C LEU A 68 5.719 -6.162 0.460 1.00 0.00 C ATOM 985 O LEU A 68 5.024 -6.232 -0.554 1.00 0.00 O ATOM 986 CB LEU A 68 4.557 -4.125 1.331 1.00 0.00 C ATOM 987 CG LEU A 68 3.566 -4.754 2.312 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.768 -4.189 3.710 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.136 -4.527 1.844 1.00 0.00 C ATOM 0 H LEU A 68 6.602 -3.777 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 68 6.305 -5.043 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.742 -3.097 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.087 -4.081 0.348 1.00 0.00 H new ATOM 0 HG LEU A 68 3.749 -5.828 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.054 -4.648 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.783 -4.403 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.612 -3.110 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.444 -4.981 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.940 -3.457 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.998 -4.980 0.862 1.00 0.00 H new ATOM 1001 N VAL A 69 6.343 -7.212 0.983 1.00 0.00 N ATOM 1002 CA VAL A 69 6.244 -8.537 0.383 1.00 0.00 C ATOM 1003 C VAL A 69 4.993 -9.265 0.862 1.00 0.00 C ATOM 1004 O VAL A 69 4.824 -9.514 2.056 1.00 0.00 O ATOM 1005 CB VAL A 69 7.481 -9.395 0.710 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.361 -10.770 0.070 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.751 -8.694 0.253 1.00 0.00 C ATOM 0 H VAL A 69 6.923 -7.171 1.821 1.00 0.00 H new ATOM 0 HA VAL A 69 6.186 -8.393 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 69 7.535 -9.527 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.244 -11.362 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.472 -11.272 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.282 -10.662 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.615 -9.314 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.709 -8.530 -0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.841 -7.735 0.763 1.00 0.00 H new ATOM 1017 N VAL A 70 4.117 -9.606 -0.078 1.00 0.00 N ATOM 1018 CA VAL A 70 2.881 -10.308 0.247 1.00 0.00 C ATOM 1019 C VAL A 70 2.926 -11.753 -0.236 1.00 0.00 C ATOM 1020 O VAL A 70 2.715 -12.030 -1.416 1.00 0.00 O ATOM 1021 CB VAL A 70 1.658 -9.608 -0.376 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.392 -10.408 -0.110 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.526 -8.190 0.159 1.00 0.00 C ATOM 0 H VAL A 70 4.241 -9.407 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 70 2.785 -10.294 1.333 1.00 0.00 H new ATOM 0 HB VAL A 70 1.803 -9.552 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.461 -9.898 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.491 -11.402 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.238 -10.498 0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.657 -7.710 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.403 -8.220 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.423 -7.623 -0.089 1.00 0.00 H new ATOM 1033 N GLN A 71 3.204 -12.670 0.685 1.00 0.00 N ATOM 1034 CA GLN A 71 3.277 -14.088 0.353 1.00 0.00 C ATOM 1035 C GLN A 71 1.887 -14.658 0.088 1.00 0.00 C ATOM 1036 O GLN A 71 0.903 -14.219 0.683 1.00 0.00 O ATOM 1037 CB GLN A 71 3.952 -14.864 1.486 1.00 0.00 C ATOM 1038 CG GLN A 71 5.433 -14.556 1.636 1.00 0.00 C ATOM 1039 CD GLN A 71 6.305 -15.454 0.781 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.954 -15.784 -0.352 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.451 -15.854 1.320 1.00 0.00 N ATOM 0 H GLN A 71 3.382 -12.457 1.666 1.00 0.00 H new ATOM 0 HA GLN A 71 3.871 -14.193 -0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.445 -14.636 2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.828 -15.932 1.308 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.613 -13.516 1.365 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.719 -14.667 2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.703 -15.556 2.263 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.080 -16.459 0.791 1.00 0.00 H new ATOM 1050 N GLN A 72 1.816 -15.636 -0.809 1.00 0.00 N ATOM 1051 CA GLN A 72 0.546 -16.264 -1.154 1.00 0.00 C ATOM 1052 C GLN A 72 -0.512 -15.213 -1.473 1.00 0.00 C ATOM 1053 O GLN A 72 -1.645 -15.295 -0.999 1.00 0.00 O ATOM 1054 CB GLN A 72 0.066 -17.156 -0.007 1.00 0.00 C ATOM 1055 CG GLN A 72 0.643 -18.562 -0.048 1.00 0.00 C ATOM 1056 CD GLN A 72 0.232 -19.396 1.149 1.00 0.00 C ATOM 1057 OE1 GLN A 72 0.602 -19.096 2.285 1.00 0.00 O ATOM 1058 NE2 GLN A 72 -0.536 -20.450 0.901 1.00 0.00 N ATOM 0 H GLN A 72 2.622 -16.010 -1.310 1.00 0.00 H new ATOM 0 HA GLN A 72 0.702 -16.877 -2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.334 -16.690 0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.022 -17.218 -0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.316 -19.058 -0.962 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.731 -18.503 -0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.819 -20.661 -0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.843 -21.049 1.667 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.135 -14.226 -2.279 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.052 -13.160 -2.663 1.00 0.00 C ATOM 1069 C ALA A 73 -2.361 -13.729 -3.200 1.00 0.00 C ATOM 1070 O ALA A 73 -2.393 -14.338 -4.268 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.404 -12.254 -3.699 1.00 0.00 C ATOM 0 H ALA A 73 0.800 -14.143 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.279 -12.572 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.100 -11.463 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.500 -11.812 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.147 -12.838 -4.583 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.441 -13.526 -2.450 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.738 -14.026 -2.867 1.00 0.00 C ATOM 1079 C GLY A 74 -5.793 -12.939 -2.907 1.00 0.00 C ATOM 1080 O GLY A 74 -5.506 -11.777 -2.620 1.00 0.00 O ATOM 0 H GLY A 74 -3.440 -13.024 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.649 -14.478 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.057 -14.813 -2.184 1.00 0.00 H new ATOM 1084 N GLN A 75 -7.016 -13.316 -3.265 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.116 -12.362 -3.344 1.00 0.00 C ATOM 1086 C GLN A 75 -7.992 -11.297 -2.260 1.00 0.00 C ATOM 1087 O GLN A 75 -7.785 -10.120 -2.554 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.457 -13.087 -3.212 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.819 -13.925 -4.428 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.000 -15.197 -4.525 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -9.075 -16.065 -3.655 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.211 -15.314 -5.587 1.00 0.00 N ATOM 0 H GLN A 75 -7.270 -14.274 -3.505 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.070 -11.871 -4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.427 -13.731 -2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.243 -12.351 -3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.878 -14.181 -4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.670 -13.332 -5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.180 -14.570 -6.284 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.636 -16.148 -5.706 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.120 -11.717 -1.006 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.020 -10.799 0.122 1.00 0.00 C ATOM 1103 C ALA A 76 -6.868 -9.819 -0.069 1.00 0.00 C ATOM 1104 O ALA A 76 -7.038 -8.610 0.088 1.00 0.00 O ATOM 1105 CB ALA A 76 -7.847 -11.574 1.420 1.00 0.00 C ATOM 0 H ALA A 76 -8.293 -12.688 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.945 -10.226 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.774 -10.876 2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.705 -12.229 1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.938 -12.173 1.368 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.697 -10.348 -0.407 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.516 -9.518 -0.617 1.00 0.00 C ATOM 1113 C GLU A 77 -4.752 -8.512 -1.740 1.00 0.00 C ATOM 1114 O GLU A 77 -4.256 -7.387 -1.694 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.303 -10.391 -0.946 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.751 -11.141 0.254 1.00 0.00 C ATOM 1117 CD GLU A 77 -2.693 -10.283 1.503 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -1.843 -9.370 1.557 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -3.499 -10.525 2.426 1.00 0.00 O ATOM 0 H GLU A 77 -5.540 -11.347 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.320 -8.970 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.581 -11.110 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.517 -9.763 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.371 -12.016 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.750 -11.505 0.021 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.510 -8.927 -2.749 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.813 -8.063 -3.884 1.00 0.00 C ATOM 1128 C ALA A 78 -6.676 -6.880 -3.458 1.00 0.00 C ATOM 1129 O ALA A 78 -7.746 -7.057 -2.876 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.506 -8.856 -4.981 1.00 0.00 C ATOM 0 H ALA A 78 -5.926 -9.857 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.873 -7.672 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.726 -8.198 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.854 -9.664 -5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.435 -9.275 -4.595 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.203 -5.672 -3.751 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.944 -4.478 -3.390 1.00 0.00 C ATOM 1138 C GLY A 79 -6.129 -3.213 -3.573 1.00 0.00 C ATOM 1139 O GLY A 79 -5.581 -2.971 -4.648 1.00 0.00 O ATOM 0 H GLY A 79 -5.320 -5.500 -4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.846 -4.416 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.264 -4.553 -2.351 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.051 -2.403 -2.521 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.299 -1.155 -2.573 1.00 0.00 C ATOM 1145 C GLU A 80 -4.514 -0.939 -1.283 1.00 0.00 C ATOM 1146 O GLU A 80 -5.073 -0.990 -0.187 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.243 0.025 -2.813 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.814 0.073 -4.220 1.00 0.00 C ATOM 1149 CD GLU A 80 -8.064 0.925 -4.314 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.964 2.151 -4.098 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -9.143 0.367 -4.604 1.00 0.00 O ATOM 0 H GLU A 80 -6.499 -2.589 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.593 -1.220 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.064 -0.027 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.707 0.954 -2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.059 0.466 -4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.044 -0.940 -4.549 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.215 -0.698 -1.422 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.351 -0.477 -0.268 1.00 0.00 C ATOM 1160 C TYR A 81 -1.919 0.984 -0.183 1.00 0.00 C ATOM 1161 O TYR A 81 -1.572 1.600 -1.191 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.120 -1.381 -0.345 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.411 -2.829 -0.023 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.248 -3.587 -0.833 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -0.851 -3.439 1.093 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.517 -4.910 -0.542 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.114 -4.762 1.390 1.00 0.00 C ATOM 1168 CZ TYR A 81 -1.948 -5.494 0.570 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.213 -6.811 0.864 1.00 0.00 O ATOM 0 H TYR A 81 -2.737 -0.651 -2.322 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.918 -0.722 0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.696 -1.319 -1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.363 -1.009 0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.696 -3.134 -1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.199 -2.869 1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.170 -5.484 -1.182 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.669 -5.221 2.260 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.376 -7.273 1.077 1.00 0.00 H new ATOM 1179 N SER A 82 -1.941 1.532 1.028 1.00 0.00 N ATOM 1180 CA SER A 82 -1.555 2.921 1.246 1.00 0.00 C ATOM 1181 C SER A 82 -0.444 3.018 2.288 1.00 0.00 C ATOM 1182 O SER A 82 -0.629 2.639 3.445 1.00 0.00 O ATOM 1183 CB SER A 82 -2.764 3.744 1.694 1.00 0.00 C ATOM 1184 OG SER A 82 -3.855 3.573 0.806 1.00 0.00 O ATOM 0 H SER A 82 -2.222 1.035 1.873 1.00 0.00 H new ATOM 0 HA SER A 82 -1.182 3.322 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.059 3.444 2.700 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.492 4.798 1.742 1.00 0.00 H new ATOM 0 HG SER A 82 -4.616 4.108 1.115 1.00 0.00 H new ATOM 1190 N CYS A 83 0.708 3.529 1.869 1.00 0.00 N ATOM 1191 CA CYS A 83 1.850 3.676 2.764 1.00 0.00 C ATOM 1192 C CYS A 83 1.841 5.045 3.436 1.00 0.00 C ATOM 1193 O CYS A 83 2.295 6.033 2.859 1.00 0.00 O ATOM 1194 CB CYS A 83 3.157 3.481 1.994 1.00 0.00 C ATOM 1195 SG CYS A 83 4.639 3.546 3.028 1.00 0.00 S ATOM 0 H CYS A 83 0.876 3.849 0.915 1.00 0.00 H new ATOM 0 HA CYS A 83 1.775 2.911 3.537 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.125 2.519 1.483 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.230 4.249 1.224 1.00 0.00 H new ATOM 0 HG CYS A 83 5.690 3.326 2.295 1.00 0.00 H new ATOM 1201 N GLU A 84 1.319 5.096 4.657 1.00 0.00 N ATOM 1202 CA GLU A 84 1.249 6.346 5.406 1.00 0.00 C ATOM 1203 C GLU A 84 2.552 6.604 6.157 1.00 0.00 C ATOM 1204 O GLU A 84 3.033 5.748 6.900 1.00 0.00 O ATOM 1205 CB GLU A 84 0.078 6.311 6.391 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.525 7.678 6.668 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.208 7.751 8.020 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -2.343 7.246 8.139 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -0.606 8.313 8.958 1.00 0.00 O ATOM 0 H GLU A 84 0.939 4.287 5.149 1.00 0.00 H new ATOM 0 HA GLU A 84 1.093 7.158 4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.698 5.654 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.418 5.876 7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.259 8.433 6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.247 7.918 5.887 1.00 0.00 H new ATOM 1216 N ALA A 85 3.118 7.790 5.957 1.00 0.00 N ATOM 1217 CA ALA A 85 4.364 8.162 6.616 1.00 0.00 C ATOM 1218 C ALA A 85 4.272 9.562 7.212 1.00 0.00 C ATOM 1219 O ALA A 85 5.275 10.132 7.642 1.00 0.00 O ATOM 1220 CB ALA A 85 5.524 8.078 5.636 1.00 0.00 C ATOM 0 H ALA A 85 2.734 8.509 5.344 1.00 0.00 H new ATOM 0 HA ALA A 85 4.540 7.460 7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.448 8.358 6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.610 7.058 5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.346 8.757 4.802 1.00 0.00 H new ATOM 1226 N GLY A 86 3.062 10.113 7.235 1.00 0.00 N ATOM 1227 CA GLY A 86 2.863 11.443 7.780 1.00 0.00 C ATOM 1228 C GLY A 86 2.175 12.374 6.801 1.00 0.00 C ATOM 1229 O GLY A 86 2.822 13.201 6.161 1.00 0.00 O ATOM 0 H GLY A 86 2.216 9.662 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.268 11.374 8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.828 11.865 8.061 1.00 0.00 H new ATOM 1233 N GLY A 87 0.857 12.238 6.683 1.00 0.00 N ATOM 1234 CA GLY A 87 0.103 13.079 5.772 1.00 0.00 C ATOM 1235 C GLY A 87 0.114 12.549 4.351 1.00 0.00 C ATOM 1236 O GLY A 87 -0.903 12.590 3.660 1.00 0.00 O ATOM 0 H GLY A 87 0.299 11.560 7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.927 13.155 6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.519 14.087 5.784 1.00 0.00 H new ATOM 1240 N GLN A 88 1.268 12.053 3.916 1.00 0.00 N ATOM 1241 CA GLN A 88 1.407 11.516 2.567 1.00 0.00 C ATOM 1242 C GLN A 88 1.190 10.006 2.557 1.00 0.00 C ATOM 1243 O GLN A 88 1.624 9.302 3.469 1.00 0.00 O ATOM 1244 CB GLN A 88 2.789 11.849 2.003 1.00 0.00 C ATOM 1245 CG GLN A 88 2.956 13.312 1.624 1.00 0.00 C ATOM 1246 CD GLN A 88 3.956 13.514 0.503 1.00 0.00 C ATOM 1247 OE1 GLN A 88 4.414 12.553 -0.116 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.300 14.768 0.235 1.00 0.00 N ATOM 0 H GLN A 88 2.119 12.012 4.477 1.00 0.00 H new ATOM 0 HA GLN A 88 0.645 11.978 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.547 11.585 2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.972 11.231 1.124 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.990 13.718 1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.279 13.876 2.499 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.895 15.534 0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.969 14.965 -0.509 1.00 0.00 H new ATOM 1257 N GLN A 89 0.517 9.517 1.521 1.00 0.00 N ATOM 1258 CA GLN A 89 0.242 8.090 1.395 1.00 0.00 C ATOM 1259 C GLN A 89 0.244 7.664 -0.070 1.00 0.00 C ATOM 1260 O GLN A 89 -0.496 8.212 -0.888 1.00 0.00 O ATOM 1261 CB GLN A 89 -1.104 7.750 2.036 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.171 8.073 3.519 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.579 8.389 3.985 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -3.322 7.499 4.401 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -2.953 9.661 3.919 1.00 0.00 N ATOM 0 H GLN A 89 0.152 10.087 0.757 1.00 0.00 H new ATOM 0 HA GLN A 89 1.031 7.546 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.892 8.297 1.518 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.306 6.688 1.895 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.785 7.228 4.089 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.523 8.923 3.731 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.305 10.366 3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.889 9.934 4.220 1.00 0.00 H new ATOM 1274 N LEU A 90 1.080 6.684 -0.394 1.00 0.00 N ATOM 1275 CA LEU A 90 1.178 6.183 -1.761 1.00 0.00 C ATOM 1276 C LEU A 90 0.260 4.984 -1.969 1.00 0.00 C ATOM 1277 O LEU A 90 0.326 4.002 -1.229 1.00 0.00 O ATOM 1278 CB LEU A 90 2.623 5.795 -2.079 1.00 0.00 C ATOM 1279 CG LEU A 90 3.639 6.937 -2.087 1.00 0.00 C ATOM 1280 CD1 LEU A 90 5.047 6.402 -1.874 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.555 7.717 -3.392 1.00 0.00 C ATOM 0 H LEU A 90 1.700 6.220 0.271 1.00 0.00 H new ATOM 0 HA LEU A 90 0.864 6.978 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.947 5.052 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.642 5.312 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 90 3.402 7.614 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.756 7.230 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.100 5.889 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.295 5.703 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.285 8.526 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.765 7.051 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.554 8.134 -3.503 1.00 0.00 H new ATOM 1293 N SER A 91 -0.596 5.069 -2.982 1.00 0.00 N ATOM 1294 CA SER A 91 -1.530 3.992 -3.288 1.00 0.00 C ATOM 1295 C SER A 91 -0.862 2.920 -4.143 1.00 0.00 C ATOM 1296 O SER A 91 -0.155 3.227 -5.103 1.00 0.00 O ATOM 1297 CB SER A 91 -2.760 4.544 -4.011 1.00 0.00 C ATOM 1298 OG SER A 91 -2.997 5.895 -3.655 1.00 0.00 O ATOM 0 H SER A 91 -0.662 5.874 -3.605 1.00 0.00 H new ATOM 0 HA SER A 91 -1.844 3.539 -2.348 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.617 4.468 -5.089 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.633 3.941 -3.763 1.00 0.00 H new ATOM 0 HG SER A 91 -3.787 6.225 -4.132 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.090 1.660 -3.786 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.510 0.541 -4.520 1.00 0.00 C ATOM 1306 C PHE A 92 -1.552 -0.546 -4.766 1.00 0.00 C ATOM 1307 O PHE A 92 -1.785 -1.402 -3.913 1.00 0.00 O ATOM 1308 CB PHE A 92 0.678 -0.040 -3.749 1.00 0.00 C ATOM 1309 CG PHE A 92 1.927 0.786 -3.861 1.00 0.00 C ATOM 1310 CD1 PHE A 92 2.155 1.842 -2.993 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.874 0.506 -4.832 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.303 2.604 -3.094 1.00 0.00 C ATOM 1313 CE2 PHE A 92 4.025 1.265 -4.938 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.240 2.315 -4.067 1.00 0.00 C ATOM 0 H PHE A 92 -1.672 1.388 -2.993 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.163 0.911 -5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.407 -0.134 -2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.883 -1.045 -4.117 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.427 2.072 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.712 -0.315 -5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.468 3.425 -2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.755 1.037 -5.701 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.139 2.909 -4.146 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.175 -0.505 -5.940 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.193 -1.485 -6.299 1.00 0.00 C ATOM 1326 C ARG A 93 -2.562 -2.843 -6.588 1.00 0.00 C ATOM 1327 O ARG A 93 -1.698 -2.967 -7.458 1.00 0.00 O ATOM 1328 CB ARG A 93 -3.982 -1.007 -7.519 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.386 -1.584 -7.600 1.00 0.00 C ATOM 1330 CD ARG A 93 -5.386 -2.962 -8.243 1.00 0.00 C ATOM 1331 NE ARG A 93 -5.492 -2.887 -9.698 1.00 0.00 N ATOM 1332 CZ ARG A 93 -6.617 -2.590 -10.339 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -7.727 -2.342 -9.657 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -6.634 -2.541 -11.665 1.00 0.00 N ATOM 0 H ARG A 93 -1.992 0.196 -6.658 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.873 -1.593 -5.454 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.046 0.081 -7.496 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.435 -1.275 -8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.812 -1.649 -6.599 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.024 -0.913 -8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.470 -3.488 -7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.217 -3.546 -7.849 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.656 -3.073 -10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.718 -2.379 -8.638 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.589 -2.114 -10.152 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.783 -2.732 -12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.499 -2.313 -12.156 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.998 -3.860 -5.853 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.476 -5.211 -6.029 1.00 0.00 C ATOM 1350 C LEU A 94 -3.529 -6.126 -6.645 1.00 0.00 C ATOM 1351 O LEU A 94 -4.584 -6.358 -6.055 1.00 0.00 O ATOM 1352 CB LEU A 94 -2.012 -5.779 -4.687 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.639 -7.262 -4.678 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.468 -7.523 -5.614 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.307 -7.721 -3.266 1.00 0.00 C ATOM 0 H LEU A 94 -3.712 -3.775 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.625 -5.159 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.148 -5.206 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.803 -5.620 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.496 -7.834 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.216 -8.583 -5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.742 -7.233 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.394 -6.940 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.044 -8.779 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.466 -7.143 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.173 -7.571 -2.621 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.235 -6.644 -7.833 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.157 -7.535 -8.528 1.00 0.00 C ATOM 1369 C GLN A 95 -3.653 -8.974 -8.493 1.00 0.00 C ATOM 1370 O GLN A 95 -2.480 -9.238 -8.761 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.343 -7.081 -9.977 1.00 0.00 C ATOM 1372 CG GLN A 95 -5.164 -5.809 -10.115 1.00 0.00 C ATOM 1373 CD GLN A 95 -5.660 -5.586 -11.530 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -4.895 -5.200 -12.415 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -6.946 -5.828 -11.752 1.00 0.00 N ATOM 0 H GLN A 95 -2.366 -6.462 -8.335 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.119 -7.494 -8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.363 -6.922 -10.428 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.827 -7.879 -10.540 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.017 -5.856 -9.438 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.560 -4.956 -9.807 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -7.544 -6.147 -10.990 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.336 -5.695 -12.685 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.546 -9.901 -8.162 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.192 -11.313 -8.094 1.00 0.00 C ATOM 1386 C VAL A 96 -4.833 -12.097 -9.234 1.00 0.00 C ATOM 1387 O VAL A 96 -5.997 -11.881 -9.570 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.622 -11.936 -6.752 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.336 -13.429 -6.740 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.922 -11.241 -5.594 1.00 0.00 C ATOM 0 H VAL A 96 -5.520 -9.699 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.107 -11.371 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.697 -11.796 -6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.646 -13.851 -5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.888 -13.912 -7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.268 -13.596 -6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.237 -11.694 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.843 -11.348 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.184 -10.183 -5.593 1.00 0.00 H new ATOM 1400 N ALA A 97 -4.066 -13.007 -9.824 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.560 -13.824 -10.925 1.00 0.00 C ATOM 1402 C ALA A 97 -4.588 -15.300 -10.543 1.00 0.00 C ATOM 1403 O ALA A 97 -3.544 -15.935 -10.401 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.702 -13.614 -12.165 1.00 0.00 C ATOM 0 H ALA A 97 -3.100 -13.197 -9.558 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.581 -13.513 -11.146 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.083 -14.230 -12.979 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.736 -12.565 -12.458 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.672 -13.896 -11.947 1.00 0.00 H new