USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 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 84 CYS SG : rot -131:sc= 0.57 USER MOD Set 1.2: A 87 CYS SG : rot 137:sc= 0.773 USER MOD Set 1.3: A 105 CYS SG : rot 49:sc= 1.33 USER MOD Set 1.4: A 108 CYS SG : rot 107:sc= 0.408 USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 83 THR OG1 : rot 103:sc= 0.662 USER MOD Single : A 8 ASN : amide:sc= -0.315 X(o=-0.32,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 136:sc= -0.889 (180deg=-3.05!) USER MOD Single : A 20 GLN : amide:sc= 0.651 K(o=0.65,f=-10!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.286 F(o=-1.2,f=-0.29) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0133 K(o=-0.013,f=-2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0295) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -170:sc= 0.433 (180deg=0.381) USER MOD Single : A 101 TYR OH : rot 32:sc= 0.0222 USER MOD Single : A 102 THR OG1 : rot -107:sc= 1.75 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 11.410 8.985 -10.756 1.00 0.00 N ATOM 97 CA ASN A 8 12.321 9.989 -10.172 1.00 0.00 C ATOM 98 C ASN A 8 11.554 11.011 -9.311 1.00 0.00 C ATOM 99 O ASN A 8 11.382 12.172 -9.699 1.00 0.00 O ATOM 100 CB ASN A 8 13.137 10.695 -11.294 1.00 0.00 C ATOM 101 CG ASN A 8 13.971 9.748 -12.174 1.00 0.00 C ATOM 102 OD1 ASN A 8 14.161 10.003 -13.355 1.00 0.00 O ATOM 103 ND2 ASN A 8 14.487 8.664 -11.611 1.00 0.00 N ATOM 0 HA ASN A 8 13.019 9.473 -9.513 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.448 11.249 -11.932 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.804 11.425 -10.835 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.055 8.023 -12.165 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.316 8.471 -10.624 1.00 0.00 H new ATOM 110 N VAL A 9 11.091 10.550 -8.128 1.00 0.00 N ATOM 111 CA VAL A 9 10.311 11.364 -7.187 1.00 0.00 C ATOM 112 C VAL A 9 11.148 12.548 -6.685 1.00 0.00 C ATOM 113 O VAL A 9 10.620 13.627 -6.491 1.00 0.00 O ATOM 114 CB VAL A 9 9.825 10.522 -5.950 1.00 0.00 C ATOM 115 CG1 VAL A 9 8.972 11.360 -4.983 1.00 0.00 C ATOM 116 CG2 VAL A 9 9.057 9.253 -6.363 1.00 0.00 C ATOM 0 H VAL A 9 11.252 9.597 -7.803 1.00 0.00 H new ATOM 0 HA VAL A 9 9.436 11.726 -7.726 1.00 0.00 H new ATOM 0 HB VAL A 9 10.732 10.210 -5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.658 10.739 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.560 12.200 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.092 11.736 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.745 8.710 -5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.178 9.533 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.704 8.617 -6.967 1.00 0.00 H new ATOM 126 N GLU A 10 12.463 12.306 -6.501 1.00 0.00 N ATOM 127 CA GLU A 10 13.429 13.316 -6.021 1.00 0.00 C ATOM 128 C GLU A 10 13.521 14.528 -6.977 1.00 0.00 C ATOM 129 O GLU A 10 13.633 15.676 -6.520 1.00 0.00 O ATOM 130 CB GLU A 10 14.813 12.654 -5.861 1.00 0.00 C ATOM 131 CG GLU A 10 14.832 11.459 -4.877 1.00 0.00 C ATOM 132 CD GLU A 10 16.209 10.785 -4.776 1.00 0.00 C ATOM 133 OE1 GLU A 10 16.568 10.002 -5.676 1.00 0.00 O ATOM 134 OE2 GLU A 10 16.950 11.052 -3.807 1.00 0.00 O ATOM 0 H GLU A 10 12.887 11.396 -6.683 1.00 0.00 H new ATOM 0 HA GLU A 10 13.082 13.693 -5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.155 12.312 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.525 13.404 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.530 11.805 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.095 10.722 -5.196 1.00 0.00 H new ATOM 141 N SER A 11 13.468 14.249 -8.294 1.00 0.00 N ATOM 142 CA SER A 11 13.452 15.281 -9.343 1.00 0.00 C ATOM 143 C SER A 11 12.161 16.115 -9.242 1.00 0.00 C ATOM 144 O SER A 11 12.192 17.353 -9.305 1.00 0.00 O ATOM 145 CB SER A 11 13.554 14.612 -10.735 1.00 0.00 C ATOM 146 OG SER A 11 14.706 13.787 -10.821 1.00 0.00 O ATOM 0 H SER A 11 13.435 13.297 -8.659 1.00 0.00 H new ATOM 0 HA SER A 11 14.306 15.945 -9.207 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.661 14.016 -10.922 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.593 15.379 -11.509 1.00 0.00 H new ATOM 0 HG SER A 11 14.747 13.374 -11.709 1.00 0.00 H new ATOM 152 N TYR A 12 11.035 15.403 -9.050 1.00 0.00 N ATOM 153 CA TYR A 12 9.707 16.015 -8.911 1.00 0.00 C ATOM 154 C TYR A 12 9.586 16.783 -7.583 1.00 0.00 C ATOM 155 O TYR A 12 8.939 17.812 -7.533 1.00 0.00 O ATOM 156 CB TYR A 12 8.599 14.942 -9.040 1.00 0.00 C ATOM 157 CG TYR A 12 8.572 14.229 -10.411 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.576 14.963 -11.607 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.525 12.835 -10.516 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.540 14.336 -12.834 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.492 12.206 -11.745 1.00 0.00 C ATOM 162 CZ TYR A 12 8.496 12.961 -12.901 1.00 0.00 C ATOM 163 OH TYR A 12 8.454 12.338 -14.130 1.00 0.00 O ATOM 0 H TYR A 12 11.024 14.385 -8.987 1.00 0.00 H new ATOM 0 HA TYR A 12 9.578 16.735 -9.719 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.736 14.196 -8.257 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.631 15.412 -8.867 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.608 16.042 -11.565 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.514 12.238 -9.616 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.546 14.922 -13.741 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.463 11.128 -11.802 1.00 0.00 H new ATOM 0 HH TYR A 12 8.427 11.367 -14.004 1.00 0.00 H new ATOM 173 N GLU A 13 10.270 16.294 -6.541 1.00 0.00 N ATOM 174 CA GLU A 13 10.214 16.840 -5.185 1.00 0.00 C ATOM 175 C GLU A 13 10.789 18.264 -5.178 1.00 0.00 C ATOM 176 O GLU A 13 10.110 19.218 -4.789 1.00 0.00 O ATOM 177 CB GLU A 13 11.016 15.882 -4.241 1.00 0.00 C ATOM 178 CG GLU A 13 10.665 15.941 -2.741 1.00 0.00 C ATOM 179 CD GLU A 13 11.171 17.192 -2.005 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.394 17.446 -2.038 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.360 17.912 -1.390 1.00 0.00 O ATOM 0 H GLU A 13 10.891 15.489 -6.622 1.00 0.00 H new ATOM 0 HA GLU A 13 9.186 16.904 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.866 14.859 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.077 16.104 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.582 15.888 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.077 15.058 -2.252 1.00 0.00 H new ATOM 188 N LYS A 14 12.037 18.383 -5.679 1.00 0.00 N ATOM 189 CA LYS A 14 12.790 19.648 -5.696 1.00 0.00 C ATOM 190 C LYS A 14 12.134 20.691 -6.625 1.00 0.00 C ATOM 191 O LYS A 14 12.095 21.879 -6.289 1.00 0.00 O ATOM 192 CB LYS A 14 14.272 19.404 -6.104 1.00 0.00 C ATOM 193 CG LYS A 14 14.486 18.872 -7.535 1.00 0.00 C ATOM 194 CD LYS A 14 15.972 18.665 -7.921 1.00 0.00 C ATOM 195 CE LYS A 14 16.788 19.971 -8.096 1.00 0.00 C ATOM 196 NZ LYS A 14 17.061 20.684 -6.817 1.00 0.00 N ATOM 0 H LYS A 14 12.549 17.599 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 14 12.771 20.052 -4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.819 20.341 -5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.712 18.696 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.960 17.923 -7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.033 19.568 -8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.450 18.055 -7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.015 18.099 -8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.736 19.734 -8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.247 20.640 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.052 20.999 -6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.434 21.510 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.888 20.042 -6.018 1.00 0.00 H new ATOM 210 N ILE A 15 11.605 20.238 -7.795 1.00 0.00 N ATOM 211 CA ILE A 15 10.970 21.149 -8.766 1.00 0.00 C ATOM 212 C ILE A 15 9.638 21.687 -8.203 1.00 0.00 C ATOM 213 O ILE A 15 9.271 22.823 -8.470 1.00 0.00 O ATOM 214 CB ILE A 15 10.771 20.486 -10.198 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.513 21.576 -11.296 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.633 19.433 -10.207 1.00 0.00 C ATOM 217 CD1 ILE A 15 10.392 21.039 -12.717 1.00 0.00 C ATOM 0 H ILE A 15 11.609 19.258 -8.079 1.00 0.00 H new ATOM 0 HA ILE A 15 11.651 21.986 -8.916 1.00 0.00 H new ATOM 0 HB ILE A 15 11.700 19.966 -10.432 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.597 22.112 -11.047 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.326 22.301 -11.265 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.537 19.010 -11.207 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.866 18.639 -9.498 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.695 19.909 -9.923 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.215 21.866 -13.405 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.315 20.529 -12.993 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.560 20.337 -12.771 1.00 0.00 H new ATOM 229 N LEU A 16 8.950 20.868 -7.374 1.00 0.00 N ATOM 230 CA LEU A 16 7.703 21.267 -6.693 1.00 0.00 C ATOM 231 C LEU A 16 7.979 22.291 -5.593 1.00 0.00 C ATOM 232 O LEU A 16 7.194 23.221 -5.404 1.00 0.00 O ATOM 233 CB LEU A 16 6.975 20.026 -6.109 1.00 0.00 C ATOM 234 CG LEU A 16 6.256 19.112 -7.145 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.617 17.873 -6.473 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.231 19.914 -7.963 1.00 0.00 C ATOM 0 H LEU A 16 9.245 19.915 -7.161 1.00 0.00 H new ATOM 0 HA LEU A 16 7.053 21.733 -7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.703 19.424 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.238 20.369 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 16 7.010 18.736 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.126 17.261 -7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.392 17.286 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.883 18.197 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.742 19.255 -8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.484 20.340 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.740 20.717 -8.497 1.00 0.00 H new ATOM 248 N ARG A 17 9.100 22.103 -4.874 1.00 0.00 N ATOM 249 CA ARG A 17 9.551 23.044 -3.840 1.00 0.00 C ATOM 250 C ARG A 17 9.788 24.438 -4.460 1.00 0.00 C ATOM 251 O ARG A 17 9.316 25.432 -3.935 1.00 0.00 O ATOM 252 CB ARG A 17 10.846 22.521 -3.156 1.00 0.00 C ATOM 253 CG ARG A 17 10.723 21.163 -2.391 1.00 0.00 C ATOM 254 CD ARG A 17 10.512 21.285 -0.862 1.00 0.00 C ATOM 255 NE ARG A 17 9.187 21.816 -0.474 1.00 0.00 N ATOM 256 CZ ARG A 17 8.596 21.619 0.731 1.00 0.00 C ATOM 257 NH1 ARG A 17 9.150 20.840 1.650 1.00 0.00 N ATOM 258 NH2 ARG A 17 7.433 22.197 1.002 1.00 0.00 N ATOM 0 H ARG A 17 9.714 21.298 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 17 8.775 23.129 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.618 22.416 -3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.193 23.279 -2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.890 20.601 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.626 20.579 -2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.644 20.303 -0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.286 21.933 -0.450 1.00 0.00 H new ATOM 0 HE ARG A 17 8.680 22.371 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.037 20.375 1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.689 20.705 2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.983 22.790 0.304 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.989 22.049 1.908 1.00 0.00 H new ATOM 272 N ASP A 18 10.487 24.481 -5.603 1.00 0.00 N ATOM 273 CA ASP A 18 10.793 25.745 -6.321 1.00 0.00 C ATOM 274 C ASP A 18 9.563 26.341 -7.032 1.00 0.00 C ATOM 275 O ASP A 18 9.432 27.571 -7.115 1.00 0.00 O ATOM 276 CB ASP A 18 11.959 25.533 -7.319 1.00 0.00 C ATOM 277 CG ASP A 18 13.325 25.453 -6.622 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.718 24.362 -6.161 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.999 26.499 -6.503 1.00 0.00 O ATOM 0 H ASP A 18 10.859 23.649 -6.061 1.00 0.00 H new ATOM 0 HA ASP A 18 11.098 26.472 -5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.788 24.615 -7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.970 26.351 -8.039 1.00 0.00 H new ATOM 284 N ARG A 19 8.657 25.473 -7.518 1.00 0.00 N ATOM 285 CA ARG A 19 7.421 25.907 -8.213 1.00 0.00 C ATOM 286 C ARG A 19 6.457 26.578 -7.231 1.00 0.00 C ATOM 287 O ARG A 19 5.836 27.592 -7.556 1.00 0.00 O ATOM 288 CB ARG A 19 6.741 24.707 -8.966 1.00 0.00 C ATOM 289 CG ARG A 19 7.015 24.649 -10.494 1.00 0.00 C ATOM 290 CD ARG A 19 8.495 24.876 -10.858 1.00 0.00 C ATOM 291 NE ARG A 19 8.727 24.770 -12.308 1.00 0.00 N ATOM 292 CZ ARG A 19 9.379 25.667 -13.070 1.00 0.00 C ATOM 293 NH1 ARG A 19 9.814 26.807 -12.556 1.00 0.00 N ATOM 294 NH2 ARG A 19 9.581 25.417 -14.350 1.00 0.00 N ATOM 0 H ARG A 19 8.755 24.460 -7.444 1.00 0.00 H new ATOM 0 HA ARG A 19 7.694 26.645 -8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.082 23.775 -8.516 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.664 24.762 -8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.699 23.678 -10.876 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.406 25.402 -10.994 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.807 25.861 -10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.113 24.145 -10.337 1.00 0.00 H new ATOM 0 HE ARG A 19 8.360 23.942 -12.777 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.656 27.015 -11.570 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.307 27.477 -13.146 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.243 24.546 -14.759 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.075 26.095 -14.930 1.00 0.00 H new ATOM 308 N GLN A 20 6.353 26.021 -6.016 1.00 0.00 N ATOM 309 CA GLN A 20 5.518 26.607 -4.972 1.00 0.00 C ATOM 310 C GLN A 20 6.179 27.887 -4.437 1.00 0.00 C ATOM 311 O GLN A 20 5.475 28.784 -4.064 1.00 0.00 O ATOM 312 CB GLN A 20 5.227 25.598 -3.832 1.00 0.00 C ATOM 313 CG GLN A 20 6.399 25.351 -2.870 1.00 0.00 C ATOM 314 CD GLN A 20 6.167 24.275 -1.820 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.103 23.608 -1.409 1.00 0.00 O ATOM 316 NE2 GLN A 20 4.941 24.106 -1.357 1.00 0.00 N ATOM 0 H GLN A 20 6.838 25.168 -5.738 1.00 0.00 H new ATOM 0 HA GLN A 20 4.554 26.867 -5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.374 25.958 -3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.933 24.646 -4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.277 25.079 -3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.633 26.286 -2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.176 24.677 -1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.759 23.405 -0.639 1.00 0.00 H new ATOM 325 N ARG A 21 7.543 27.964 -4.429 1.00 0.00 N ATOM 326 CA ARG A 21 8.291 29.169 -3.962 1.00 0.00 C ATOM 327 C ARG A 21 7.903 30.418 -4.776 1.00 0.00 C ATOM 328 O ARG A 21 7.608 31.472 -4.205 1.00 0.00 O ATOM 329 CB ARG A 21 9.833 28.957 -4.054 1.00 0.00 C ATOM 330 CG ARG A 21 10.454 28.077 -2.950 1.00 0.00 C ATOM 331 CD ARG A 21 11.936 27.766 -3.232 1.00 0.00 C ATOM 332 NE ARG A 21 12.560 26.919 -2.204 1.00 0.00 N ATOM 333 CZ ARG A 21 13.489 27.325 -1.325 1.00 0.00 C ATOM 334 NH1 ARG A 21 13.781 28.612 -1.190 1.00 0.00 N ATOM 335 NH2 ARG A 21 14.124 26.437 -0.578 1.00 0.00 N ATOM 0 H ARG A 21 8.146 27.203 -4.742 1.00 0.00 H new ATOM 0 HA ARG A 21 8.017 29.322 -2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.063 28.510 -5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.318 29.933 -4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.365 28.583 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.895 27.144 -2.872 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.018 27.271 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.489 28.703 -3.305 1.00 0.00 H new ATOM 0 HE ARG A 21 12.263 25.945 -2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.297 29.307 -1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.489 28.906 -0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.907 25.445 -0.670 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.830 26.745 0.090 1.00 0.00 H new ATOM 349 N GLU A 22 7.915 30.273 -6.114 1.00 0.00 N ATOM 350 CA GLU A 22 7.611 31.379 -7.045 1.00 0.00 C ATOM 351 C GLU A 22 6.115 31.753 -7.003 1.00 0.00 C ATOM 352 O GLU A 22 5.749 32.932 -7.123 1.00 0.00 O ATOM 353 CB GLU A 22 8.112 31.031 -8.474 1.00 0.00 C ATOM 354 CG GLU A 22 7.494 29.771 -9.109 1.00 0.00 C ATOM 355 CD GLU A 22 8.262 29.283 -10.349 1.00 0.00 C ATOM 356 OE1 GLU A 22 8.033 29.821 -11.457 1.00 0.00 O ATOM 357 OE2 GLU A 22 9.122 28.384 -10.220 1.00 0.00 O ATOM 0 H GLU A 22 8.134 29.392 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 22 8.150 32.271 -6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.911 31.881 -9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.194 30.905 -8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.468 28.973 -8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.461 29.981 -9.388 1.00 0.00 H new ATOM 364 N LEU A 23 5.256 30.751 -6.767 1.00 0.00 N ATOM 365 CA LEU A 23 3.802 30.964 -6.619 1.00 0.00 C ATOM 366 C LEU A 23 3.440 31.549 -5.227 1.00 0.00 C ATOM 367 O LEU A 23 2.525 32.371 -5.124 1.00 0.00 O ATOM 368 CB LEU A 23 3.058 29.641 -6.889 1.00 0.00 C ATOM 369 CG LEU A 23 3.147 29.086 -8.348 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.532 27.672 -8.445 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.492 30.058 -9.361 1.00 0.00 C ATOM 0 H LEU A 23 5.542 29.777 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 23 3.484 31.704 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.448 28.883 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.006 29.782 -6.639 1.00 0.00 H new ATOM 0 HG LEU A 23 4.202 29.005 -8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.608 27.312 -9.471 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.070 26.995 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.483 27.710 -8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.570 29.643 -10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.441 30.195 -9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.003 31.020 -9.325 1.00 0.00 H new ATOM 383 N TYR A 24 4.199 31.150 -4.179 1.00 0.00 N ATOM 384 CA TYR A 24 3.997 31.618 -2.780 1.00 0.00 C ATOM 385 C TYR A 24 4.333 33.113 -2.705 1.00 0.00 C ATOM 386 O TYR A 24 3.525 33.909 -2.245 1.00 0.00 O ATOM 387 CB TYR A 24 4.870 30.812 -1.736 1.00 0.00 C ATOM 388 CG TYR A 24 4.143 29.666 -0.979 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.262 29.946 0.074 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.342 28.316 -1.295 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.617 28.935 0.767 1.00 0.00 C ATOM 392 CE2 TYR A 24 3.702 27.304 -0.609 1.00 0.00 C ATOM 393 CZ TYR A 24 2.838 27.615 0.420 1.00 0.00 C ATOM 394 OH TYR A 24 2.179 26.607 1.091 1.00 0.00 O ATOM 0 H TYR A 24 4.972 30.492 -4.277 1.00 0.00 H new ATOM 0 HA TYR A 24 2.954 31.445 -2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.727 30.388 -2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.262 31.515 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.082 30.974 0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.016 28.060 -2.099 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.944 29.177 1.576 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.877 26.272 -0.877 1.00 0.00 H new ATOM 0 HH TYR A 24 2.447 25.739 0.723 1.00 0.00 H new ATOM 404 N ARG A 25 5.528 33.471 -3.220 1.00 0.00 N ATOM 405 CA ARG A 25 6.030 34.863 -3.230 1.00 0.00 C ATOM 406 C ARG A 25 5.102 35.763 -4.084 1.00 0.00 C ATOM 407 O ARG A 25 4.937 36.950 -3.787 1.00 0.00 O ATOM 408 CB ARG A 25 7.497 34.919 -3.764 1.00 0.00 C ATOM 409 CG ARG A 25 7.637 34.682 -5.282 1.00 0.00 C ATOM 410 CD ARG A 25 9.075 34.729 -5.804 1.00 0.00 C ATOM 411 NE ARG A 25 9.860 33.530 -5.448 1.00 0.00 N ATOM 412 CZ ARG A 25 10.913 33.070 -6.157 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.314 33.695 -7.261 1.00 0.00 N ATOM 414 NH2 ARG A 25 11.554 31.988 -5.766 1.00 0.00 N ATOM 0 H ARG A 25 6.173 32.803 -3.641 1.00 0.00 H new ATOM 0 HA ARG A 25 6.029 35.237 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.921 35.893 -3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.091 34.172 -3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.207 33.710 -5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.048 35.432 -5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.058 34.836 -6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.572 35.613 -5.404 1.00 0.00 H new ATOM 0 HE ARG A 25 9.589 33.015 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.825 34.531 -7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.111 33.338 -7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.255 31.494 -4.925 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.349 31.644 -6.304 1.00 0.00 H new ATOM 428 N ARG A 26 4.498 35.157 -5.145 1.00 0.00 N ATOM 429 CA ARG A 26 3.529 35.828 -6.023 1.00 0.00 C ATOM 430 C ARG A 26 2.284 36.302 -5.245 1.00 0.00 C ATOM 431 O ARG A 26 1.849 37.441 -5.403 1.00 0.00 O ATOM 432 CB ARG A 26 3.121 34.886 -7.189 1.00 0.00 C ATOM 433 CG ARG A 26 2.114 35.480 -8.201 1.00 0.00 C ATOM 434 CD ARG A 26 1.855 34.545 -9.397 1.00 0.00 C ATOM 435 NE ARG A 26 0.980 35.178 -10.400 1.00 0.00 N ATOM 436 CZ ARG A 26 0.662 34.655 -11.599 1.00 0.00 C ATOM 437 NH1 ARG A 26 1.117 33.462 -11.971 1.00 0.00 N ATOM 438 NH2 ARG A 26 -0.111 35.331 -12.434 1.00 0.00 N ATOM 0 H ARG A 26 4.678 34.187 -5.406 1.00 0.00 H new ATOM 0 HA ARG A 26 4.011 36.715 -6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.022 34.592 -7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.692 33.977 -6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.171 35.684 -7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.492 36.435 -8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.804 34.274 -9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.397 33.621 -9.045 1.00 0.00 H new ATOM 0 HE ARG A 26 0.582 36.088 -10.166 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.718 32.927 -11.344 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.865 33.082 -12.883 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.467 36.250 -12.169 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.351 34.933 -13.342 1.00 0.00 H new ATOM 452 N LEU A 27 1.716 35.422 -4.393 1.00 0.00 N ATOM 453 CA LEU A 27 0.479 35.744 -3.620 1.00 0.00 C ATOM 454 C LEU A 27 0.774 36.230 -2.182 1.00 0.00 C ATOM 455 O LEU A 27 -0.155 36.534 -1.426 1.00 0.00 O ATOM 456 CB LEU A 27 -0.516 34.542 -3.660 1.00 0.00 C ATOM 457 CG LEU A 27 0.040 33.103 -3.376 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.309 32.835 -1.892 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.888 32.023 -3.963 1.00 0.00 C ATOM 0 H LEU A 27 2.085 34.487 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.002 36.591 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.306 34.741 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.982 34.529 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 27 1.006 33.052 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.692 31.822 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.045 33.548 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.618 32.944 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.477 31.036 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.877 32.109 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.967 32.159 -5.042 1.00 0.00 H new ATOM 471 N HIS A 28 2.065 36.293 -1.815 1.00 0.00 N ATOM 472 CA HIS A 28 2.535 36.886 -0.536 1.00 0.00 C ATOM 473 C HIS A 28 3.416 38.119 -0.819 1.00 0.00 C ATOM 474 O HIS A 28 4.233 38.510 0.002 1.00 0.00 O ATOM 475 CB HIS A 28 3.304 35.838 0.306 1.00 0.00 C ATOM 476 CG HIS A 28 2.463 34.719 0.868 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.456 33.394 0.608 1.00 0.00 N flip ATOM 478 CD2 HIS A 28 1.491 34.911 1.822 1.00 0.00 C flip ATOM 479 CE1 HIS A 28 1.504 32.820 1.405 1.00 0.00 C flip ATOM 480 NE2 HIS A 28 0.936 33.762 2.125 1.00 0.00 N flip ATOM 0 H HIS A 28 2.822 35.934 -2.396 1.00 0.00 H new ATOM 0 HA HIS A 28 1.667 37.204 0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.089 35.404 -0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.796 36.351 1.132 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.225 35.864 2.256 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.260 31.768 1.437 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.189 33.623 2.805 1.00 0.00 H new ATOM 932 N LEU A 58 -4.263 36.061 -1.869 1.00 0.00 N ATOM 933 CA LEU A 58 -4.058 34.726 -2.410 1.00 0.00 C ATOM 934 C LEU A 58 -5.124 34.446 -3.492 1.00 0.00 C ATOM 935 O LEU A 58 -6.305 34.311 -3.173 1.00 0.00 O ATOM 936 CB LEU A 58 -4.108 33.662 -1.278 1.00 0.00 C ATOM 937 CG LEU A 58 -2.944 33.695 -0.226 1.00 0.00 C ATOM 938 CD1 LEU A 58 -3.075 34.855 0.785 1.00 0.00 C ATOM 939 CD2 LEU A 58 -2.811 32.329 0.484 1.00 0.00 C ATOM 0 HA LEU A 58 -3.070 34.667 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.052 33.777 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.121 32.675 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.024 33.886 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.240 34.823 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.065 35.805 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.012 34.756 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.998 32.373 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.743 32.094 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.597 31.555 -0.253 1.00 0.00 H new ATOM 951 N GLY A 59 -4.695 34.418 -4.763 1.00 0.00 N ATOM 952 CA GLY A 59 -5.591 34.145 -5.897 1.00 0.00 C ATOM 953 C GLY A 59 -5.907 32.659 -5.997 1.00 0.00 C ATOM 954 O GLY A 59 -5.013 31.852 -5.755 1.00 0.00 O ATOM 0 H GLY A 59 -3.725 34.583 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.516 34.710 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.126 34.485 -6.822 1.00 0.00 H new ATOM 958 N GLN A 60 -7.160 32.309 -6.386 1.00 0.00 N ATOM 959 CA GLN A 60 -7.688 30.914 -6.368 1.00 0.00 C ATOM 960 C GLN A 60 -6.759 29.921 -7.094 1.00 0.00 C ATOM 961 O GLN A 60 -6.377 28.906 -6.521 1.00 0.00 O ATOM 962 CB GLN A 60 -9.116 30.853 -6.986 1.00 0.00 C ATOM 963 CG GLN A 60 -9.779 29.461 -6.920 1.00 0.00 C ATOM 964 CD GLN A 60 -11.132 29.389 -7.630 1.00 0.00 C ATOM 965 OE1 GLN A 60 -11.206 29.076 -8.819 1.00 0.00 O ATOM 966 NE2 GLN A 60 -12.205 29.674 -6.909 1.00 0.00 N ATOM 0 H GLN A 60 -7.840 32.990 -6.724 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.735 30.614 -5.321 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.753 31.571 -6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.062 31.167 -8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.107 28.727 -7.364 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.912 29.181 -5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.106 29.929 -5.926 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.131 29.638 -7.336 1.00 0.00 H new ATOM 975 N VAL A 61 -6.402 30.253 -8.350 1.00 0.00 N ATOM 976 CA VAL A 61 -5.468 29.448 -9.170 1.00 0.00 C ATOM 977 C VAL A 61 -4.134 29.191 -8.433 1.00 0.00 C ATOM 978 O VAL A 61 -3.594 28.087 -8.498 1.00 0.00 O ATOM 979 CB VAL A 61 -5.212 30.121 -10.575 1.00 0.00 C ATOM 980 CG1 VAL A 61 -4.683 31.572 -10.442 1.00 0.00 C ATOM 981 CG2 VAL A 61 -4.276 29.252 -11.461 1.00 0.00 C ATOM 0 H VAL A 61 -6.751 31.085 -8.826 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.943 28.481 -9.339 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.178 30.182 -11.077 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.522 31.993 -11.434 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.413 32.178 -9.905 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.741 31.567 -9.893 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.122 29.746 -12.420 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.316 29.124 -10.960 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.733 28.276 -11.625 1.00 0.00 H new ATOM 991 N GLY A 62 -3.647 30.217 -7.712 1.00 0.00 N ATOM 992 CA GLY A 62 -2.432 30.115 -6.915 1.00 0.00 C ATOM 993 C GLY A 62 -2.609 29.193 -5.711 1.00 0.00 C ATOM 994 O GLY A 62 -1.756 28.362 -5.450 1.00 0.00 O ATOM 0 H GLY A 62 -4.091 31.135 -7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.620 29.743 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.141 31.107 -6.571 1.00 0.00 H new ATOM 998 N GLN A 63 -3.755 29.320 -5.013 1.00 0.00 N ATOM 999 CA GLN A 63 -4.042 28.576 -3.762 1.00 0.00 C ATOM 1000 C GLN A 63 -4.192 27.078 -4.037 1.00 0.00 C ATOM 1001 O GLN A 63 -3.705 26.262 -3.273 1.00 0.00 O ATOM 1002 CB GLN A 63 -5.335 29.112 -3.098 1.00 0.00 C ATOM 1003 CG GLN A 63 -5.300 30.610 -2.774 1.00 0.00 C ATOM 1004 CD GLN A 63 -6.621 31.153 -2.228 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -7.496 31.565 -2.986 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -6.755 31.188 -0.913 1.00 0.00 N ATOM 0 H GLN A 63 -4.512 29.942 -5.298 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.201 28.726 -3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.179 28.914 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.515 28.557 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.512 30.796 -2.045 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.036 31.162 -3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.007 30.837 -0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.606 31.566 -0.497 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.884 26.755 -5.144 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.128 25.365 -5.581 1.00 0.00 C ATOM 1017 C ASP A 64 -3.867 24.744 -6.182 1.00 0.00 C ATOM 1018 O ASP A 64 -3.703 23.523 -6.130 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.294 25.310 -6.604 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.661 25.549 -5.954 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -8.082 26.714 -5.814 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -8.327 24.566 -5.563 1.00 0.00 O ATOM 0 H ASP A 64 -5.293 27.453 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.406 24.784 -4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.128 26.059 -7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.295 24.337 -7.096 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.991 25.588 -6.761 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.717 25.130 -7.331 1.00 0.00 C ATOM 1029 C GLU A 65 -0.762 24.741 -6.190 1.00 0.00 C ATOM 1030 O GLU A 65 -0.128 23.692 -6.242 1.00 0.00 O ATOM 1031 CB GLU A 65 -1.084 26.215 -8.261 1.00 0.00 C ATOM 1032 CG GLU A 65 -0.317 25.663 -9.487 1.00 0.00 C ATOM 1033 CD GLU A 65 -1.229 25.105 -10.613 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -2.067 24.212 -10.352 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -1.101 25.545 -11.775 1.00 0.00 O ATOM 0 H GLU A 65 -3.147 26.593 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.902 24.254 -7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.876 26.875 -8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.401 26.825 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.305 26.457 -9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.355 24.872 -9.154 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.712 25.610 -5.162 1.00 0.00 N ATOM 1043 CA LEU A 66 -0.029 25.355 -3.874 1.00 0.00 C ATOM 1044 C LEU A 66 -0.589 24.081 -3.220 1.00 0.00 C ATOM 1045 O LEU A 66 0.160 23.217 -2.804 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.230 26.574 -2.908 1.00 0.00 C ATOM 1047 CG LEU A 66 0.835 27.719 -2.954 1.00 0.00 C ATOM 1048 CD1 LEU A 66 1.199 28.139 -4.381 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.362 28.936 -2.122 1.00 0.00 C ATOM 0 H LEU A 66 -1.154 26.529 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 66 1.036 25.220 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.205 27.013 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.268 26.191 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 66 1.746 27.319 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.942 28.936 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.609 27.284 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.306 28.496 -4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.116 29.722 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.578 29.311 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.214 28.633 -1.086 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.927 23.996 -3.176 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.666 22.898 -2.523 1.00 0.00 C ATOM 1063 C ARG A 67 -2.340 21.549 -3.186 1.00 0.00 C ATOM 1064 O ARG A 67 -2.222 20.535 -2.507 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.184 23.193 -2.595 1.00 0.00 C ATOM 1066 CG ARG A 67 -5.093 22.206 -1.833 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.573 22.614 -1.925 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.440 21.743 -1.121 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.645 22.087 -0.645 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.161 23.291 -0.882 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.342 21.219 0.063 1.00 0.00 N ATOM 0 H ARG A 67 -2.537 24.696 -3.598 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.362 22.833 -1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.360 24.196 -2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.485 23.201 -3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.965 21.203 -2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.790 22.165 -0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.685 23.645 -1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.893 22.581 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.099 20.805 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.638 23.970 -1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.080 23.534 -0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.964 20.290 0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.259 21.477 0.427 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.178 21.583 -4.520 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.817 20.414 -5.336 1.00 0.00 C ATOM 1087 C ALA A 68 -0.341 20.024 -5.121 1.00 0.00 C ATOM 1088 O ALA A 68 -0.020 18.834 -5.022 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.097 20.705 -6.822 1.00 0.00 C ATOM 0 H ALA A 68 -2.296 22.435 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.430 19.569 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.827 19.835 -7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.156 20.924 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.506 21.563 -7.142 1.00 0.00 H new ATOM 1095 N ILE A 69 0.546 21.046 -5.039 1.00 0.00 N ATOM 1096 CA ILE A 69 1.997 20.852 -4.852 1.00 0.00 C ATOM 1097 C ILE A 69 2.293 20.245 -3.472 1.00 0.00 C ATOM 1098 O ILE A 69 2.959 19.222 -3.386 1.00 0.00 O ATOM 1099 CB ILE A 69 2.799 22.201 -5.063 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.776 22.633 -6.571 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.257 22.089 -4.552 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.340 24.016 -6.858 1.00 0.00 C ATOM 0 H ILE A 69 0.271 22.026 -5.101 1.00 0.00 H new ATOM 0 HA ILE A 69 2.336 20.150 -5.614 1.00 0.00 H new ATOM 0 HB ILE A 69 2.301 22.970 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.339 21.901 -7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.746 22.597 -6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.773 23.035 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.252 21.857 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.773 21.296 -5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.279 24.219 -7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.764 24.764 -6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.382 24.057 -6.540 1.00 0.00 H new ATOM 1114 N ASP A 70 1.777 20.886 -2.413 1.00 0.00 N ATOM 1115 CA ASP A 70 1.928 20.427 -1.017 1.00 0.00 C ATOM 1116 C ASP A 70 1.212 19.083 -0.772 1.00 0.00 C ATOM 1117 O ASP A 70 1.622 18.324 0.108 1.00 0.00 O ATOM 1118 CB ASP A 70 1.421 21.520 -0.032 1.00 0.00 C ATOM 1119 CG ASP A 70 2.346 22.755 0.013 1.00 0.00 C ATOM 1120 OD1 ASP A 70 3.349 22.723 0.766 1.00 0.00 O ATOM 1121 OD2 ASP A 70 2.100 23.746 -0.714 1.00 0.00 O ATOM 0 H ASP A 70 1.237 21.747 -2.499 1.00 0.00 H new ATOM 0 HA ASP A 70 2.989 20.258 -0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.419 21.832 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.342 21.094 0.968 1.00 0.00 H new ATOM 1126 N ALA A 71 0.142 18.795 -1.559 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.533 17.475 -1.541 1.00 0.00 C ATOM 1128 C ALA A 71 0.381 16.400 -2.148 1.00 0.00 C ATOM 1129 O ALA A 71 0.407 15.258 -1.685 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.873 17.509 -2.296 1.00 0.00 C ATOM 0 H ALA A 71 -0.270 19.461 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.741 17.229 -0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.336 16.523 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.535 18.238 -1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.698 17.790 -3.335 1.00 0.00 H new ATOM 1136 N ALA A 72 1.133 16.793 -3.195 1.00 0.00 N ATOM 1137 CA ALA A 72 2.111 15.922 -3.859 1.00 0.00 C ATOM 1138 C ALA A 72 3.309 15.659 -2.943 1.00 0.00 C ATOM 1139 O ALA A 72 3.755 14.525 -2.836 1.00 0.00 O ATOM 1140 CB ALA A 72 2.551 16.525 -5.196 1.00 0.00 C ATOM 0 H ALA A 72 1.076 17.727 -3.602 1.00 0.00 H new ATOM 0 HA ALA A 72 1.636 14.963 -4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.276 15.864 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.684 16.641 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.007 17.500 -5.023 1.00 0.00 H new ATOM 1146 N LEU A 73 3.770 16.718 -2.248 1.00 0.00 N ATOM 1147 CA LEU A 73 4.904 16.660 -1.300 1.00 0.00 C ATOM 1148 C LEU A 73 4.538 15.827 -0.053 1.00 0.00 C ATOM 1149 O LEU A 73 5.397 15.161 0.532 1.00 0.00 O ATOM 1150 CB LEU A 73 5.330 18.098 -0.898 1.00 0.00 C ATOM 1151 CG LEU A 73 5.884 18.997 -2.057 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.053 20.458 -1.604 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.209 18.439 -2.632 1.00 0.00 C ATOM 0 H LEU A 73 3.362 17.649 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 73 5.745 16.169 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.470 18.600 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.093 18.027 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 73 5.144 18.978 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.439 21.053 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.088 20.856 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.752 20.501 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.561 19.090 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.959 18.397 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.041 17.437 -3.026 1.00 0.00 H new ATOM 1165 N ALA A 74 3.246 15.880 0.333 1.00 0.00 N ATOM 1166 CA ALA A 74 2.673 15.041 1.407 1.00 0.00 C ATOM 1167 C ALA A 74 2.652 13.563 0.979 1.00 0.00 C ATOM 1168 O ALA A 74 2.935 12.666 1.780 1.00 0.00 O ATOM 1169 CB ALA A 74 1.256 15.525 1.770 1.00 0.00 C ATOM 0 H ALA A 74 2.567 16.510 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 74 3.302 15.132 2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.849 14.897 2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.301 16.558 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.614 15.463 0.891 1.00 0.00 H new ATOM 1175 N ARG A 75 2.333 13.330 -0.312 1.00 0.00 N ATOM 1176 CA ARG A 75 2.369 11.990 -0.920 1.00 0.00 C ATOM 1177 C ARG A 75 3.816 11.468 -1.020 1.00 0.00 C ATOM 1178 O ARG A 75 4.031 10.270 -0.949 1.00 0.00 O ATOM 1179 CB ARG A 75 1.680 11.979 -2.317 1.00 0.00 C ATOM 1180 CG ARG A 75 0.137 12.103 -2.284 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.513 12.167 -3.687 1.00 0.00 C ATOM 1182 NE ARG A 75 -0.282 13.467 -4.353 1.00 0.00 N ATOM 1183 CZ ARG A 75 -0.521 13.742 -5.653 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -0.975 12.806 -6.486 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -0.340 14.976 -6.107 1.00 0.00 N ATOM 0 H ARG A 75 2.045 14.065 -0.957 1.00 0.00 H new ATOM 0 HA ARG A 75 1.809 11.319 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.083 12.799 -2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.945 11.054 -2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.275 11.253 -1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.135 12.999 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.111 11.366 -4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.585 11.993 -3.597 1.00 0.00 H new ATOM 0 HE ARG A 75 0.091 14.223 -3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.149 11.861 -6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.149 13.035 -7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.022 15.711 -5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.519 15.190 -7.088 1.00 0.00 H new ATOM 1199 N ILE A 76 4.804 12.372 -1.181 1.00 0.00 N ATOM 1200 CA ILE A 76 6.241 11.992 -1.193 1.00 0.00 C ATOM 1201 C ILE A 76 6.680 11.581 0.227 1.00 0.00 C ATOM 1202 O ILE A 76 7.387 10.587 0.403 1.00 0.00 O ATOM 1203 CB ILE A 76 7.158 13.156 -1.742 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.694 13.561 -3.176 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.658 12.739 -1.738 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.364 14.769 -3.788 1.00 0.00 C ATOM 0 H ILE A 76 4.638 13.371 -1.305 1.00 0.00 H new ATOM 0 HA ILE A 76 6.360 11.146 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 76 7.059 14.019 -1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.854 12.710 -3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.620 13.745 -3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.265 13.560 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.967 12.503 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.793 11.862 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.955 14.947 -4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.184 15.642 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.437 14.591 -3.863 1.00 0.00 H new ATOM 1218 N ALA A 77 6.196 12.341 1.227 1.00 0.00 N ATOM 1219 CA ALA A 77 6.450 12.078 2.660 1.00 0.00 C ATOM 1220 C ALA A 77 5.889 10.702 3.093 1.00 0.00 C ATOM 1221 O ALA A 77 6.451 10.041 3.972 1.00 0.00 O ATOM 1222 CB ALA A 77 5.852 13.208 3.516 1.00 0.00 C ATOM 0 H ALA A 77 5.613 13.162 1.064 1.00 0.00 H new ATOM 0 HA ALA A 77 7.529 12.051 2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.044 13.006 4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.312 14.157 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.777 13.263 3.347 1.00 0.00 H new ATOM 1228 N SER A 78 4.775 10.293 2.460 1.00 0.00 N ATOM 1229 CA SER A 78 4.145 8.978 2.689 1.00 0.00 C ATOM 1230 C SER A 78 4.746 7.903 1.759 1.00 0.00 C ATOM 1231 O SER A 78 4.674 6.709 2.059 1.00 0.00 O ATOM 1232 CB SER A 78 2.621 9.094 2.464 1.00 0.00 C ATOM 1233 OG SER A 78 1.940 7.872 2.741 1.00 0.00 O ATOM 0 H SER A 78 4.284 10.866 1.773 1.00 0.00 H new ATOM 0 HA SER A 78 4.339 8.671 3.717 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.221 9.883 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.429 9.389 1.432 1.00 0.00 H new ATOM 0 HG SER A 78 0.979 7.991 2.587 1.00 0.00 H new ATOM 1239 N GLY A 79 5.338 8.343 0.633 1.00 0.00 N ATOM 1240 CA GLY A 79 5.870 7.436 -0.394 1.00 0.00 C ATOM 1241 C GLY A 79 4.810 6.983 -1.401 1.00 0.00 C ATOM 1242 O GLY A 79 5.070 6.100 -2.221 1.00 0.00 O ATOM 0 H GLY A 79 5.459 9.332 0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.679 7.935 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.300 6.560 0.091 1.00 0.00 H new ATOM 1246 N THR A 80 3.616 7.611 -1.350 1.00 0.00 N ATOM 1247 CA THR A 80 2.485 7.317 -2.250 1.00 0.00 C ATOM 1248 C THR A 80 2.382 8.419 -3.332 1.00 0.00 C ATOM 1249 O THR A 80 1.306 8.677 -3.890 1.00 0.00 O ATOM 1250 CB THR A 80 1.142 7.165 -1.430 1.00 0.00 C ATOM 1251 OG1 THR A 80 0.070 6.711 -2.284 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.712 8.476 -0.733 1.00 0.00 C ATOM 0 H THR A 80 3.410 8.346 -0.673 1.00 0.00 H new ATOM 0 HA THR A 80 2.659 6.365 -2.752 1.00 0.00 H new ATOM 0 HB THR A 80 1.343 6.425 -0.655 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.752 6.622 -1.758 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.216 8.310 -0.186 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.491 8.791 -0.039 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.557 9.253 -1.482 1.00 0.00 H new ATOM 1260 N PHE A 81 3.527 9.067 -3.638 1.00 0.00 N ATOM 1261 CA PHE A 81 3.625 10.012 -4.761 1.00 0.00 C ATOM 1262 C PHE A 81 3.387 9.265 -6.082 1.00 0.00 C ATOM 1263 O PHE A 81 3.747 8.086 -6.215 1.00 0.00 O ATOM 1264 CB PHE A 81 4.994 10.731 -4.778 1.00 0.00 C ATOM 1265 CG PHE A 81 5.148 11.722 -5.946 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.521 12.972 -5.913 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.894 11.392 -7.077 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.635 13.847 -6.973 1.00 0.00 C ATOM 1269 CE2 PHE A 81 6.005 12.266 -8.131 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.380 13.496 -8.079 1.00 0.00 C ATOM 0 H PHE A 81 4.397 8.949 -3.118 1.00 0.00 H new ATOM 0 HA PHE A 81 2.859 10.778 -4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.127 11.265 -3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.787 9.986 -4.836 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.941 13.255 -5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.392 10.435 -7.125 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.141 14.807 -6.937 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.582 11.991 -9.001 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.475 14.184 -8.906 1.00 0.00 H new ATOM 1280 N GLY A 82 2.793 9.976 -7.052 1.00 0.00 N ATOM 1281 CA GLY A 82 2.357 9.364 -8.288 1.00 0.00 C ATOM 1282 C GLY A 82 1.174 8.447 -8.045 1.00 0.00 C ATOM 1283 O GLY A 82 1.162 7.311 -8.506 1.00 0.00 O ATOM 0 H GLY A 82 2.609 10.977 -6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.082 10.137 -9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.178 8.798 -8.728 1.00 0.00 H new ATOM 1287 N THR A 83 0.196 8.948 -7.279 1.00 0.00 N ATOM 1288 CA THR A 83 -1.085 8.261 -7.035 1.00 0.00 C ATOM 1289 C THR A 83 -2.263 9.220 -7.306 1.00 0.00 C ATOM 1290 O THR A 83 -2.389 10.272 -6.663 1.00 0.00 O ATOM 1291 CB THR A 83 -1.171 7.689 -5.576 1.00 0.00 C ATOM 1292 OG1 THR A 83 -0.123 6.728 -5.378 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.529 7.022 -5.274 1.00 0.00 C ATOM 0 H THR A 83 0.269 9.849 -6.806 1.00 0.00 H new ATOM 0 HA THR A 83 -1.144 7.417 -7.722 1.00 0.00 H new ATOM 0 HB THR A 83 -1.062 8.532 -4.894 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.595 7.132 -4.847 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.530 6.645 -4.251 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.328 7.754 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.690 6.195 -5.965 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.079 8.856 -8.306 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.397 9.446 -8.546 1.00 0.00 C ATOM 1303 C CYS A 84 -5.320 9.025 -7.407 1.00 0.00 C ATOM 1304 O CYS A 84 -5.779 7.887 -7.390 1.00 0.00 O ATOM 1305 CB CYS A 84 -4.956 8.961 -9.903 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.622 9.563 -10.346 1.00 0.00 S ATOM 0 H CYS A 84 -2.834 8.131 -8.980 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.324 10.533 -8.582 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.262 9.263 -10.688 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.975 7.871 -9.896 1.00 0.00 H new ATOM 0 HG CYS A 84 -7.359 8.561 -10.725 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.522 9.932 -6.439 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.326 9.679 -5.223 1.00 0.00 C ATOM 1313 C VAL A 85 -7.808 9.366 -5.548 1.00 0.00 C ATOM 1314 O VAL A 85 -8.464 8.647 -4.789 1.00 0.00 O ATOM 1315 CB VAL A 85 -6.215 10.885 -4.218 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.744 11.100 -3.772 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.814 12.182 -4.817 1.00 0.00 C ATOM 0 H VAL A 85 -5.130 10.873 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.912 8.790 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.802 10.634 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.693 11.939 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.378 10.199 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.127 11.313 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.720 12.993 -4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.277 12.443 -5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.867 12.023 -5.049 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.310 9.893 -6.692 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.674 9.598 -7.201 1.00 0.00 C ATOM 1329 C LYS A 86 -9.775 8.115 -7.634 1.00 0.00 C ATOM 1330 O LYS A 86 -10.827 7.489 -7.498 1.00 0.00 O ATOM 1331 CB LYS A 86 -10.013 10.556 -8.381 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.461 10.442 -8.931 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.747 11.412 -10.117 1.00 0.00 C ATOM 1334 CE LYS A 86 -11.850 12.895 -9.701 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.040 13.157 -8.848 1.00 0.00 N ATOM 0 H LYS A 86 -7.783 10.533 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.401 9.763 -6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.845 11.582 -8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.316 10.363 -9.196 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.639 9.417 -9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.166 10.647 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.955 11.307 -10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.678 11.115 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.948 13.183 -9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.900 13.519 -10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.136 14.181 -8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.893 12.798 -9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.924 12.676 -7.933 1.00 0.00 H new ATOM 1349 N CYS A 87 -8.654 7.572 -8.157 1.00 0.00 N ATOM 1350 CA CYS A 87 -8.527 6.138 -8.520 1.00 0.00 C ATOM 1351 C CYS A 87 -8.076 5.293 -7.306 1.00 0.00 C ATOM 1352 O CYS A 87 -8.429 4.113 -7.191 1.00 0.00 O ATOM 1353 CB CYS A 87 -7.517 5.947 -9.692 1.00 0.00 C ATOM 1354 SG CYS A 87 -8.134 6.414 -11.341 1.00 0.00 S ATOM 0 H CYS A 87 -7.809 8.114 -8.341 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.511 5.796 -8.840 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.623 6.533 -9.478 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.213 4.901 -9.720 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.216 7.081 -11.975 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.320 5.931 -6.399 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.553 5.231 -5.371 1.00 0.00 C ATOM 1361 C GLY A 88 -5.411 4.404 -5.959 1.00 0.00 C ATOM 1362 O GLY A 88 -4.928 3.468 -5.318 1.00 0.00 O ATOM 0 H GLY A 88 -7.227 6.946 -6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.147 5.957 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.218 4.577 -4.807 1.00 0.00 H new ATOM 1366 N LYS A 89 -4.971 4.768 -7.191 1.00 0.00 N ATOM 1367 CA LYS A 89 -3.961 4.001 -7.968 1.00 0.00 C ATOM 1368 C LYS A 89 -2.958 4.952 -8.643 1.00 0.00 C ATOM 1369 O LYS A 89 -3.150 6.162 -8.642 1.00 0.00 O ATOM 1370 CB LYS A 89 -4.644 3.095 -9.038 1.00 0.00 C ATOM 1371 CG LYS A 89 -5.545 1.967 -8.469 1.00 0.00 C ATOM 1372 CD LYS A 89 -5.872 0.867 -9.505 1.00 0.00 C ATOM 1373 CE LYS A 89 -6.590 1.398 -10.756 1.00 0.00 C ATOM 1374 NZ LYS A 89 -6.820 0.319 -11.750 1.00 0.00 N ATOM 0 H LYS A 89 -5.306 5.601 -7.674 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.422 3.360 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.247 3.724 -9.693 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.869 2.642 -9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.049 1.513 -7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.476 2.403 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.947 0.377 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.495 0.108 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.544 1.840 -10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.995 2.191 -11.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.306 0.711 -12.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.907 -0.085 -12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.408 -0.426 -11.324 1.00 0.00 H new ATOM 1388 N ARG A 90 -1.917 4.359 -9.261 1.00 0.00 N ATOM 1389 CA ARG A 90 -0.736 5.068 -9.800 1.00 0.00 C ATOM 1390 C ARG A 90 -1.049 6.028 -10.975 1.00 0.00 C ATOM 1391 O ARG A 90 -1.999 5.835 -11.737 1.00 0.00 O ATOM 1392 CB ARG A 90 0.335 4.018 -10.228 1.00 0.00 C ATOM 1393 CG ARG A 90 1.005 3.274 -9.046 1.00 0.00 C ATOM 1394 CD ARG A 90 2.168 4.066 -8.420 1.00 0.00 C ATOM 1395 NE ARG A 90 3.375 4.020 -9.282 1.00 0.00 N ATOM 1396 CZ ARG A 90 4.046 5.074 -9.773 1.00 0.00 C ATOM 1397 NH1 ARG A 90 3.615 6.313 -9.563 1.00 0.00 N ATOM 1398 NH2 ARG A 90 5.158 4.883 -10.475 1.00 0.00 N ATOM 0 H ARG A 90 -1.872 3.350 -9.403 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.360 5.706 -9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.134 3.285 -10.885 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.107 4.520 -10.811 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.257 3.071 -8.280 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.375 2.309 -9.393 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.866 5.102 -8.268 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.404 3.656 -7.438 1.00 0.00 H new ATOM 0 HE ARG A 90 3.730 3.095 -9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.765 6.472 -9.023 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.135 7.105 -9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.501 3.937 -10.640 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.669 5.683 -10.849 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.210 7.069 -11.076 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.194 8.052 -12.172 1.00 0.00 C ATOM 1414 C ILE A 91 0.779 7.566 -13.276 1.00 0.00 C ATOM 1415 O ILE A 91 1.764 6.880 -12.971 1.00 0.00 O ATOM 1416 CB ILE A 91 0.291 9.460 -11.633 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.645 10.040 -10.530 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.432 10.484 -12.766 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -1.947 10.635 -11.018 1.00 0.00 C ATOM 0 H ILE A 91 0.503 7.258 -10.371 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.201 8.153 -12.578 1.00 0.00 H new ATOM 0 HB ILE A 91 1.269 9.279 -11.187 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.874 9.246 -9.820 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.098 10.808 -9.983 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.767 11.437 -12.356 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.162 10.125 -13.492 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.532 10.619 -13.257 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.518 11.007 -10.168 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.737 11.457 -11.702 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.525 9.870 -11.536 1.00 0.00 H new ATOM 1431 N SER A 92 0.512 7.941 -14.546 1.00 0.00 N ATOM 1432 CA SER A 92 1.418 7.624 -15.672 1.00 0.00 C ATOM 1433 C SER A 92 2.651 8.554 -15.646 1.00 0.00 C ATOM 1434 O SER A 92 2.558 9.689 -15.164 1.00 0.00 O ATOM 1435 CB SER A 92 0.668 7.761 -17.010 1.00 0.00 C ATOM 1436 OG SER A 92 -0.491 6.939 -17.021 1.00 0.00 O ATOM 0 H SER A 92 -0.322 8.462 -14.817 1.00 0.00 H new ATOM 0 HA SER A 92 1.760 6.594 -15.569 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.384 8.801 -17.169 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.326 7.481 -17.832 1.00 0.00 H new ATOM 0 HG SER A 92 -0.956 7.040 -17.878 1.00 0.00 H new ATOM 1442 N GLU A 93 3.789 8.066 -16.179 1.00 0.00 N ATOM 1443 CA GLU A 93 5.057 8.828 -16.219 1.00 0.00 C ATOM 1444 C GLU A 93 4.888 10.150 -16.999 1.00 0.00 C ATOM 1445 O GLU A 93 5.388 11.199 -16.583 1.00 0.00 O ATOM 1446 CB GLU A 93 6.180 7.975 -16.870 1.00 0.00 C ATOM 1447 CG GLU A 93 7.541 8.704 -16.980 1.00 0.00 C ATOM 1448 CD GLU A 93 8.556 7.961 -17.849 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.416 8.009 -19.090 1.00 0.00 O ATOM 1450 OE2 GLU A 93 9.494 7.338 -17.313 1.00 0.00 O ATOM 0 H GLU A 93 3.857 7.136 -16.593 1.00 0.00 H new ATOM 0 HA GLU A 93 5.335 9.066 -15.192 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.314 7.064 -16.287 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.860 7.672 -17.867 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.380 9.700 -17.393 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.956 8.836 -15.981 1.00 0.00 H new ATOM 1457 N ASP A 94 4.155 10.061 -18.126 1.00 0.00 N ATOM 1458 CA ASP A 94 3.898 11.200 -19.042 1.00 0.00 C ATOM 1459 C ASP A 94 3.130 12.322 -18.331 1.00 0.00 C ATOM 1460 O ASP A 94 3.407 13.514 -18.532 1.00 0.00 O ATOM 1461 CB ASP A 94 3.109 10.722 -20.289 1.00 0.00 C ATOM 1462 CG ASP A 94 3.803 9.547 -20.996 1.00 0.00 C ATOM 1463 OD1 ASP A 94 3.538 8.382 -20.623 1.00 0.00 O ATOM 1464 OD2 ASP A 94 4.636 9.779 -21.900 1.00 0.00 O ATOM 0 H ASP A 94 3.719 9.191 -18.433 1.00 0.00 H new ATOM 0 HA ASP A 94 4.862 11.597 -19.361 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.105 10.422 -19.989 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.999 11.551 -20.988 1.00 0.00 H new ATOM 1469 N ARG A 95 2.170 11.904 -17.492 1.00 0.00 N ATOM 1470 CA ARG A 95 1.372 12.806 -16.655 1.00 0.00 C ATOM 1471 C ARG A 95 2.260 13.516 -15.619 1.00 0.00 C ATOM 1472 O ARG A 95 2.120 14.714 -15.419 1.00 0.00 O ATOM 1473 CB ARG A 95 0.246 12.010 -15.944 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.679 12.852 -15.025 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.610 13.766 -15.808 1.00 0.00 C ATOM 1476 NE ARG A 95 -2.443 14.594 -14.935 1.00 0.00 N ATOM 1477 CZ ARG A 95 -3.109 15.690 -15.327 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.071 16.102 -16.592 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -3.784 16.391 -14.442 1.00 0.00 N ATOM 0 H ARG A 95 1.925 10.921 -17.376 1.00 0.00 H new ATOM 0 HA ARG A 95 0.921 13.565 -17.294 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.367 11.523 -16.702 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.702 11.220 -15.348 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.273 12.183 -14.402 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.067 13.453 -14.353 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.019 14.410 -16.460 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.250 13.163 -16.452 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.523 14.317 -13.957 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.529 15.582 -17.282 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.584 16.938 -16.872 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.799 16.100 -13.465 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.293 17.226 -14.733 1.00 0.00 H new ATOM 1493 N LEU A 96 3.187 12.758 -14.988 1.00 0.00 N ATOM 1494 CA LEU A 96 4.074 13.277 -13.915 1.00 0.00 C ATOM 1495 C LEU A 96 5.092 14.305 -14.447 1.00 0.00 C ATOM 1496 O LEU A 96 5.363 15.311 -13.797 1.00 0.00 O ATOM 1497 CB LEU A 96 4.829 12.119 -13.205 1.00 0.00 C ATOM 1498 CG LEU A 96 3.946 11.156 -12.360 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.732 9.912 -11.898 1.00 0.00 C ATOM 1500 CD2 LEU A 96 3.304 11.896 -11.157 1.00 0.00 C ATOM 0 H LEU A 96 3.342 11.774 -15.205 1.00 0.00 H new ATOM 0 HA LEU A 96 3.427 13.780 -13.196 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.352 11.533 -13.961 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.589 12.551 -12.554 1.00 0.00 H new ATOM 0 HG LEU A 96 3.141 10.805 -13.006 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.079 9.266 -11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.095 9.366 -12.769 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.579 10.223 -11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.693 11.198 -10.585 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.089 12.300 -10.517 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.679 12.711 -11.523 1.00 0.00 H new ATOM 1512 N LYS A 97 5.668 14.022 -15.623 1.00 0.00 N ATOM 1513 CA LYS A 97 6.691 14.894 -16.239 1.00 0.00 C ATOM 1514 C LYS A 97 6.047 16.197 -16.767 1.00 0.00 C ATOM 1515 O LYS A 97 6.706 17.240 -16.835 1.00 0.00 O ATOM 1516 CB LYS A 97 7.457 14.137 -17.367 1.00 0.00 C ATOM 1517 CG LYS A 97 6.653 13.908 -18.667 1.00 0.00 C ATOM 1518 CD LYS A 97 7.414 13.071 -19.719 1.00 0.00 C ATOM 1519 CE LYS A 97 7.745 11.652 -19.236 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.419 10.837 -20.286 1.00 0.00 N ATOM 0 H LYS A 97 5.445 13.193 -16.173 1.00 0.00 H new ATOM 0 HA LYS A 97 7.418 15.168 -15.475 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.360 14.697 -17.611 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.777 13.169 -16.981 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.716 13.407 -18.423 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.394 14.874 -19.100 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.815 13.008 -20.627 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.339 13.584 -19.982 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.388 11.711 -18.357 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.827 11.153 -18.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.469 9.845 -19.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.878 10.896 -21.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.381 11.200 -20.443 1.00 0.00 H new ATOM 1534 N ALA A 98 4.751 16.113 -17.141 1.00 0.00 N ATOM 1535 CA ALA A 98 3.958 17.270 -17.599 1.00 0.00 C ATOM 1536 C ALA A 98 3.433 18.087 -16.399 1.00 0.00 C ATOM 1537 O ALA A 98 3.416 19.319 -16.433 1.00 0.00 O ATOM 1538 CB ALA A 98 2.799 16.782 -18.486 1.00 0.00 C ATOM 0 H ALA A 98 4.227 15.238 -17.133 1.00 0.00 H new ATOM 0 HA ALA A 98 4.597 17.928 -18.187 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.214 17.638 -18.824 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.200 16.253 -19.350 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.161 16.109 -17.913 1.00 0.00 H new ATOM 1544 N VAL A 99 3.036 17.372 -15.333 1.00 0.00 N ATOM 1545 CA VAL A 99 2.428 17.943 -14.118 1.00 0.00 C ATOM 1546 C VAL A 99 2.551 16.923 -12.946 1.00 0.00 C ATOM 1547 O VAL A 99 1.751 15.987 -12.834 1.00 0.00 O ATOM 1548 CB VAL A 99 0.925 18.396 -14.361 1.00 0.00 C ATOM 1549 CG1 VAL A 99 0.080 17.315 -15.076 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.251 18.858 -13.045 1.00 0.00 C ATOM 0 H VAL A 99 3.131 16.357 -15.291 1.00 0.00 H new ATOM 0 HA VAL A 99 2.972 18.848 -13.848 1.00 0.00 H new ATOM 0 HB VAL A 99 0.969 19.251 -15.035 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.937 17.681 -15.215 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.521 17.092 -16.048 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.060 16.409 -14.470 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.776 19.161 -13.249 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.252 18.037 -12.328 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.802 19.702 -12.631 1.00 0.00 H new ATOM 1560 N PRO A 100 3.609 17.048 -12.076 1.00 0.00 N ATOM 1561 CA PRO A 100 3.829 16.113 -10.944 1.00 0.00 C ATOM 1562 C PRO A 100 2.902 16.378 -9.735 1.00 0.00 C ATOM 1563 O PRO A 100 2.637 15.472 -8.933 1.00 0.00 O ATOM 1564 CB PRO A 100 5.320 16.347 -10.587 1.00 0.00 C ATOM 1565 CG PRO A 100 5.605 17.765 -10.989 1.00 0.00 C ATOM 1566 CD PRO A 100 4.691 18.076 -12.159 1.00 0.00 C ATOM 0 HA PRO A 100 3.598 15.083 -11.214 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.498 16.197 -9.522 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.966 15.650 -11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.419 18.448 -10.160 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.651 17.885 -11.272 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.285 19.085 -12.088 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.225 18.013 -13.107 1.00 0.00 H new ATOM 1574 N TYR A 101 2.397 17.621 -9.625 1.00 0.00 N ATOM 1575 CA TYR A 101 1.593 18.061 -8.464 1.00 0.00 C ATOM 1576 C TYR A 101 0.124 17.626 -8.543 1.00 0.00 C ATOM 1577 O TYR A 101 -0.600 17.756 -7.554 1.00 0.00 O ATOM 1578 CB TYR A 101 1.707 19.593 -8.248 1.00 0.00 C ATOM 1579 CG TYR A 101 1.443 20.497 -9.465 1.00 0.00 C ATOM 1580 CD1 TYR A 101 0.151 20.895 -9.801 1.00 0.00 C ATOM 1581 CD2 TYR A 101 2.496 20.999 -10.249 1.00 0.00 C ATOM 1582 CE1 TYR A 101 -0.085 21.740 -10.862 1.00 0.00 C ATOM 1583 CE2 TYR A 101 2.257 21.843 -11.315 1.00 0.00 C ATOM 1584 CZ TYR A 101 0.965 22.213 -11.614 1.00 0.00 C ATOM 1585 OH TYR A 101 0.718 23.067 -12.668 1.00 0.00 O ATOM 0 H TYR A 101 2.532 18.345 -10.331 1.00 0.00 H new ATOM 0 HA TYR A 101 2.017 17.555 -7.596 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.009 19.876 -7.460 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.710 19.808 -7.879 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -0.683 20.533 -9.217 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.512 20.719 -10.013 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.096 22.032 -11.104 1.00 0.00 H new ATOM 0 HE2 TYR A 101 3.079 22.211 -11.911 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.066 23.618 -12.465 1.00 0.00 H new ATOM 1595 N THR A 102 -0.308 17.088 -9.697 1.00 0.00 N ATOM 1596 CA THR A 102 -1.717 16.713 -9.907 1.00 0.00 C ATOM 1597 C THR A 102 -2.143 15.554 -8.946 1.00 0.00 C ATOM 1598 O THR A 102 -1.450 14.524 -8.858 1.00 0.00 O ATOM 1599 CB THR A 102 -1.996 16.331 -11.400 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.405 16.098 -11.592 1.00 0.00 O ATOM 1601 CG2 THR A 102 -1.186 15.100 -11.861 1.00 0.00 C ATOM 0 H THR A 102 0.297 16.903 -10.497 1.00 0.00 H new ATOM 0 HA THR A 102 -2.323 17.588 -9.672 1.00 0.00 H new ATOM 0 HB THR A 102 -1.673 17.172 -12.013 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.567 15.137 -11.693 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.419 14.881 -12.903 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.121 15.308 -11.763 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.446 14.241 -11.243 1.00 0.00 H new ATOM 1609 N PRO A 103 -3.249 15.731 -8.149 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.797 14.651 -7.288 1.00 0.00 C ATOM 1611 C PRO A 103 -4.580 13.588 -8.093 1.00 0.00 C ATOM 1612 O PRO A 103 -4.892 12.521 -7.571 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.720 15.415 -6.302 1.00 0.00 C ATOM 1614 CG PRO A 103 -5.169 16.624 -7.067 1.00 0.00 C ATOM 1615 CD PRO A 103 -4.014 17.005 -7.979 1.00 0.00 C ATOM 0 HA PRO A 103 -3.012 14.081 -6.790 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.568 14.802 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.185 15.696 -5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -6.066 16.406 -7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.417 17.442 -6.391 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.371 17.387 -8.936 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.396 17.785 -7.535 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.896 13.895 -9.369 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.708 13.023 -10.243 1.00 0.00 C ATOM 1625 C PHE A 104 -4.913 12.652 -11.509 1.00 0.00 C ATOM 1626 O PHE A 104 -3.984 13.364 -11.891 1.00 0.00 O ATOM 1627 CB PHE A 104 -7.030 13.741 -10.638 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.787 14.368 -9.462 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -8.204 13.591 -8.384 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -8.054 15.738 -9.425 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.871 14.155 -7.315 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.720 16.302 -8.354 1.00 0.00 C ATOM 1633 CZ PHE A 104 -9.126 15.511 -7.299 1.00 0.00 C ATOM 0 H PHE A 104 -4.594 14.757 -9.823 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.951 12.111 -9.698 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.802 14.521 -11.365 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.684 13.024 -11.134 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.002 12.530 -8.384 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.736 16.365 -10.245 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -9.193 13.535 -6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.923 17.363 -8.343 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.643 15.953 -6.461 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.277 11.528 -12.168 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.645 11.130 -13.446 1.00 0.00 C ATOM 1645 C CYS A 105 -5.368 11.824 -14.599 1.00 0.00 C ATOM 1646 O CYS A 105 -6.454 12.365 -14.393 1.00 0.00 O ATOM 1647 CB CYS A 105 -4.511 9.571 -13.604 1.00 0.00 C ATOM 1648 SG CYS A 105 -5.987 8.511 -13.754 1.00 0.00 S ATOM 0 H CYS A 105 -5.998 10.886 -11.839 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.610 11.471 -13.456 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.898 9.391 -14.487 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -3.945 9.211 -12.745 1.00 0.00 H new ATOM 0 HG CYS A 105 -6.785 9.003 -14.655 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.744 11.821 -15.789 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.047 12.751 -16.912 1.00 0.00 C ATOM 1655 C GLN A 106 -6.561 12.916 -17.216 1.00 0.00 C ATOM 1656 O GLN A 106 -7.054 14.050 -17.350 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.251 12.293 -18.167 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.487 13.141 -19.439 1.00 0.00 C ATOM 1659 CD GLN A 106 -3.749 12.601 -20.666 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -2.604 12.971 -20.942 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -4.394 11.721 -21.405 1.00 0.00 N ATOM 0 H GLN A 106 -3.998 11.162 -16.011 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.729 13.748 -16.607 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.187 12.310 -17.930 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.512 11.258 -18.386 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.555 13.177 -19.652 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.165 14.165 -19.250 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.340 11.436 -21.150 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.948 11.325 -22.232 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.310 11.803 -17.240 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.759 11.844 -17.603 1.00 0.00 C ATOM 1672 C GLU A 107 -9.620 12.206 -16.377 1.00 0.00 C ATOM 1673 O GLU A 107 -10.709 12.759 -16.522 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.251 10.518 -18.260 1.00 0.00 C ATOM 1675 CG GLU A 107 -9.427 9.303 -17.331 1.00 0.00 C ATOM 1676 CD GLU A 107 -8.128 8.834 -16.672 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.796 9.353 -15.591 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -7.432 7.963 -17.227 1.00 0.00 O ATOM 0 H GLU A 107 -6.956 10.872 -17.019 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.875 12.626 -18.354 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.207 10.715 -18.746 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.545 10.246 -19.044 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.148 9.554 -16.553 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.851 8.478 -17.904 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.114 11.883 -15.172 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.743 12.257 -13.882 1.00 0.00 C ATOM 1687 C CYS A 108 -9.629 13.776 -13.647 1.00 0.00 C ATOM 1688 O CYS A 108 -10.444 14.365 -12.927 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.099 11.486 -12.707 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.382 9.701 -12.734 1.00 0.00 S ATOM 0 H CYS A 108 -8.251 11.351 -15.061 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.798 11.986 -13.931 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.025 11.671 -12.714 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.486 11.888 -11.770 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.286 9.093 -13.079 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.592 14.387 -14.252 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.404 15.845 -14.281 1.00 0.00 C ATOM 1697 C ALA A 109 -9.375 16.481 -15.286 1.00 0.00 C ATOM 1698 O ALA A 109 -9.890 17.578 -15.060 1.00 0.00 O ATOM 1699 CB ALA A 109 -6.953 16.173 -14.635 1.00 0.00 C ATOM 0 H ALA A 109 -7.856 13.875 -14.738 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.619 16.258 -13.295 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.819 17.255 -14.655 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.289 15.739 -13.887 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.715 15.760 -15.615 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.613 15.764 -16.399 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.624 16.144 -17.408 1.00 0.00 C ATOM 1707 C ALA A 110 -12.061 15.782 -16.953 1.00 0.00 C ATOM 1708 O ALA A 110 -13.037 16.156 -17.611 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.286 15.483 -18.751 1.00 0.00 C ATOM 0 H ALA A 110 -9.112 14.905 -16.626 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.597 17.227 -17.527 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.033 15.765 -19.493 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.302 15.815 -19.082 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.283 14.399 -18.633 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.177 15.031 -15.837 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.473 14.693 -15.207 1.00 0.00 C ATOM 1717 C ALA A 111 -13.923 15.800 -14.235 1.00 0.00 C ATOM 1718 O ALA A 111 -15.054 15.768 -13.736 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.381 13.336 -14.485 1.00 0.00 C ATOM 0 H ALA A 111 -11.373 14.641 -15.346 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.224 14.616 -15.994 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.342 13.102 -14.027 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.122 12.558 -15.204 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.613 13.386 -13.713 1.00 0.00 H new