USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=18 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 175:sc= 2.14 USER MOD Set 1.2: A 87 CYS SG : rot -59:sc= -0.245 USER MOD Set 1.3: A 105 CYS SG : rot -128:sc= -4.32! USER MOD Set 1.4: A 108 CYS SG : rot 54:sc= 0.747 USER MOD Set 2.1: A 80 THR OG1 : rot -48:sc= 0.449 USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 20 GLN : amide:sc= -0.0484 K(o=0.13,f=-3.8!) USER MOD Set 3.2: A 24 TYR OH : rot 68:sc= 0.18 USER MOD Set 4.1: A 8 ASN :FLIP amide:sc= 0.5 F(o=-0.28,f=1.7) USER MOD Set 4.2: A 11 SER OG : rot 136:sc= 1.18 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= -1.39! (180deg=-3.05!) USER MOD Single : A 28 HIS : no HD1:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 63 GLN :FLIP amide:sc= -1.11 F(o=-2.6,f=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00416) 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+ -174:sc= 0.435 (180deg=0.414) USER MOD Single : A 101 TYR OH : rot -106:sc= 0.238 USER MOD Single : A 102 THR OG1 : rot -113:sc= 1.2 USER MOD Single : A 106 GLN : amide:sc= -0.339 K(o=-0.34,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 11.651 8.526 -10.883 1.00 0.00 N ATOM 97 CA ASN A 8 12.532 9.650 -10.506 1.00 0.00 C ATOM 98 C ASN A 8 11.712 10.757 -9.810 1.00 0.00 C ATOM 99 O ASN A 8 11.471 11.849 -10.360 1.00 0.00 O ATOM 100 CB ASN A 8 13.363 10.158 -11.728 1.00 0.00 C ATOM 101 CG ASN A 8 14.402 11.234 -11.383 1.00 0.00 C ATOM 102 OD1 ASN A 8 14.789 12.016 -12.376 1.00 0.00 O flip ATOM 103 ND2 ASN A 8 14.879 11.339 -10.247 1.00 0.00 N flip ATOM 0 HA ASN A 8 13.268 9.302 -9.781 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.874 9.309 -12.183 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.679 10.557 -12.477 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.560 10.721 -9.501 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.591 12.044 -10.056 1.00 0.00 H new ATOM 110 N VAL A 9 11.245 10.417 -8.593 1.00 0.00 N ATOM 111 CA VAL A 9 10.396 11.291 -7.772 1.00 0.00 C ATOM 112 C VAL A 9 11.162 12.558 -7.332 1.00 0.00 C ATOM 113 O VAL A 9 10.561 13.613 -7.220 1.00 0.00 O ATOM 114 CB VAL A 9 9.834 10.531 -6.506 1.00 0.00 C ATOM 115 CG1 VAL A 9 8.958 11.448 -5.623 1.00 0.00 C ATOM 116 CG2 VAL A 9 9.048 9.255 -6.899 1.00 0.00 C ATOM 0 H VAL A 9 11.450 9.520 -8.152 1.00 0.00 H new ATOM 0 HA VAL A 9 9.552 11.592 -8.392 1.00 0.00 H new ATOM 0 HB VAL A 9 10.703 10.228 -5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.593 10.885 -4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.551 12.294 -5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.111 11.813 -6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.679 8.763 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.205 9.528 -7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.706 8.575 -7.441 1.00 0.00 H new ATOM 126 N GLU A 10 12.490 12.428 -7.122 1.00 0.00 N ATOM 127 CA GLU A 10 13.367 13.518 -6.617 1.00 0.00 C ATOM 128 C GLU A 10 13.366 14.759 -7.542 1.00 0.00 C ATOM 129 O GLU A 10 13.444 15.896 -7.060 1.00 0.00 O ATOM 130 CB GLU A 10 14.809 12.986 -6.454 1.00 0.00 C ATOM 131 CG GLU A 10 14.968 11.842 -5.424 1.00 0.00 C ATOM 132 CD GLU A 10 16.386 11.238 -5.414 1.00 0.00 C ATOM 133 OE1 GLU A 10 16.650 10.306 -6.205 1.00 0.00 O ATOM 134 OE2 GLU A 10 17.247 11.718 -4.646 1.00 0.00 O ATOM 0 H GLU A 10 12.992 11.558 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 10 12.970 13.837 -5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.163 12.635 -7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.455 13.813 -6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.732 12.220 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.245 11.057 -5.646 1.00 0.00 H new ATOM 141 N SER A 11 13.295 14.527 -8.863 1.00 0.00 N ATOM 142 CA SER A 11 13.209 15.612 -9.860 1.00 0.00 C ATOM 143 C SER A 11 11.843 16.319 -9.792 1.00 0.00 C ATOM 144 O SER A 11 11.767 17.551 -9.904 1.00 0.00 O ATOM 145 CB SER A 11 13.478 15.056 -11.271 1.00 0.00 C ATOM 146 OG SER A 11 14.809 14.570 -11.363 1.00 0.00 O ATOM 0 H SER A 11 13.295 13.591 -9.269 1.00 0.00 H new ATOM 0 HA SER A 11 13.973 16.355 -9.631 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.774 14.254 -11.494 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.316 15.837 -12.014 1.00 0.00 H new ATOM 0 HG SER A 11 14.810 13.706 -11.825 1.00 0.00 H new ATOM 152 N TYR A 12 10.777 15.524 -9.584 1.00 0.00 N ATOM 153 CA TYR A 12 9.408 16.043 -9.404 1.00 0.00 C ATOM 154 C TYR A 12 9.299 16.786 -8.066 1.00 0.00 C ATOM 155 O TYR A 12 8.603 17.789 -7.961 1.00 0.00 O ATOM 156 CB TYR A 12 8.367 14.894 -9.465 1.00 0.00 C ATOM 157 CG TYR A 12 8.351 14.135 -10.798 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.407 14.824 -12.014 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.254 12.739 -10.846 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.377 14.160 -13.215 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.229 12.072 -12.056 1.00 0.00 C ATOM 162 CZ TYR A 12 8.285 12.785 -13.236 1.00 0.00 C ATOM 163 OH TYR A 12 8.241 12.121 -14.441 1.00 0.00 O ATOM 0 H TYR A 12 10.840 14.507 -9.536 1.00 0.00 H new ATOM 0 HA TYR A 12 9.195 16.738 -10.216 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.572 14.189 -8.660 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.375 15.307 -9.282 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.475 15.902 -12.008 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.198 12.176 -9.926 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.425 14.714 -14.141 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.166 10.994 -12.078 1.00 0.00 H new ATOM 0 HH TYR A 12 8.177 11.156 -14.281 1.00 0.00 H new ATOM 173 N GLU A 13 10.040 16.287 -7.067 1.00 0.00 N ATOM 174 CA GLU A 13 10.043 16.794 -5.704 1.00 0.00 C ATOM 175 C GLU A 13 10.565 18.240 -5.702 1.00 0.00 C ATOM 176 O GLU A 13 9.864 19.160 -5.278 1.00 0.00 O ATOM 177 CB GLU A 13 10.940 15.842 -4.843 1.00 0.00 C ATOM 178 CG GLU A 13 10.698 15.832 -3.322 1.00 0.00 C ATOM 179 CD GLU A 13 11.095 17.123 -2.590 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.285 17.491 -2.622 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.223 17.767 -1.976 1.00 0.00 O ATOM 0 H GLU A 13 10.670 15.496 -7.198 1.00 0.00 H new ATOM 0 HA GLU A 13 9.040 16.812 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.806 14.826 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.982 16.110 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.641 15.640 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.253 15.001 -2.887 1.00 0.00 H new ATOM 188 N LYS A 14 11.785 18.422 -6.247 1.00 0.00 N ATOM 189 CA LYS A 14 12.474 19.716 -6.231 1.00 0.00 C ATOM 190 C LYS A 14 11.768 20.759 -7.109 1.00 0.00 C ATOM 191 O LYS A 14 11.687 21.909 -6.714 1.00 0.00 O ATOM 192 CB LYS A 14 13.956 19.590 -6.664 1.00 0.00 C ATOM 193 CG LYS A 14 14.204 19.196 -8.139 1.00 0.00 C ATOM 194 CD LYS A 14 15.627 19.562 -8.640 1.00 0.00 C ATOM 195 CE LYS A 14 15.835 21.076 -8.940 1.00 0.00 C ATOM 196 NZ LYS A 14 15.686 21.964 -7.746 1.00 0.00 N ATOM 0 H LYS A 14 12.312 17.679 -6.706 1.00 0.00 H new ATOM 0 HA LYS A 14 12.442 20.057 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.450 20.543 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.438 18.850 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.051 18.123 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.466 19.691 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.354 19.250 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.838 18.993 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.830 21.218 -9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.119 21.386 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.226 22.840 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.681 22.195 -7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.047 21.475 -6.902 1.00 0.00 H new ATOM 210 N ILE A 15 11.260 20.351 -8.300 1.00 0.00 N ATOM 211 CA ILE A 15 10.603 21.287 -9.247 1.00 0.00 C ATOM 212 C ILE A 15 9.309 21.854 -8.626 1.00 0.00 C ATOM 213 O ILE A 15 8.936 23.004 -8.875 1.00 0.00 O ATOM 214 CB ILE A 15 10.317 20.611 -10.652 1.00 0.00 C ATOM 215 CG1 ILE A 15 9.971 21.677 -11.747 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.199 19.548 -10.567 1.00 0.00 C ATOM 217 CD1 ILE A 15 9.760 21.099 -13.141 1.00 0.00 C ATOM 0 H ILE A 15 11.293 19.385 -8.626 1.00 0.00 H new ATOM 0 HA ILE A 15 11.292 22.111 -9.431 1.00 0.00 H new ATOM 0 HB ILE A 15 11.238 20.106 -10.944 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.068 22.209 -11.447 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.775 22.412 -11.789 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.037 19.111 -11.552 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.493 18.766 -9.867 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.277 20.016 -10.221 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.525 21.904 -13.837 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.669 20.592 -13.466 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.935 20.387 -13.118 1.00 0.00 H new ATOM 229 N LEU A 16 8.651 21.031 -7.784 1.00 0.00 N ATOM 230 CA LEU A 16 7.475 21.443 -7.006 1.00 0.00 C ATOM 231 C LEU A 16 7.868 22.441 -5.910 1.00 0.00 C ATOM 232 O LEU A 16 7.154 23.415 -5.681 1.00 0.00 O ATOM 233 CB LEU A 16 6.782 20.203 -6.386 1.00 0.00 C ATOM 234 CG LEU A 16 6.009 19.293 -7.384 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.398 18.057 -6.679 1.00 0.00 C ATOM 236 CD2 LEU A 16 4.944 20.106 -8.138 1.00 0.00 C ATOM 0 H LEU A 16 8.924 20.061 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 16 6.774 21.937 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.539 19.600 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.086 20.544 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 16 6.722 18.912 -8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.867 17.447 -7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.194 17.467 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.703 18.385 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.413 19.455 -8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.237 20.530 -7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.426 20.911 -8.693 1.00 0.00 H new ATOM 248 N ARG A 17 8.999 22.171 -5.237 1.00 0.00 N ATOM 249 CA ARG A 17 9.551 23.051 -4.196 1.00 0.00 C ATOM 250 C ARG A 17 9.905 24.433 -4.792 1.00 0.00 C ATOM 251 O ARG A 17 9.524 25.447 -4.242 1.00 0.00 O ATOM 252 CB ARG A 17 10.793 22.392 -3.547 1.00 0.00 C ATOM 253 CG ARG A 17 10.533 21.032 -2.833 1.00 0.00 C ATOM 254 CD ARG A 17 10.354 21.117 -1.305 1.00 0.00 C ATOM 255 NE ARG A 17 9.049 21.668 -0.858 1.00 0.00 N ATOM 256 CZ ARG A 17 8.437 21.345 0.311 1.00 0.00 C ATOM 257 NH1 ARG A 17 8.977 20.461 1.142 1.00 0.00 N ATOM 258 NH2 ARG A 17 7.285 21.908 0.643 1.00 0.00 N ATOM 0 H ARG A 17 9.557 21.333 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 17 8.798 23.200 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.547 22.239 -4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.215 23.088 -2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.639 20.579 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.365 20.362 -3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.474 20.119 -0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.153 21.735 -0.894 1.00 0.00 H new ATOM 0 HE ARG A 17 8.580 22.335 -1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.863 20.014 0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.506 20.229 2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.852 22.589 0.019 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.831 21.661 1.522 1.00 0.00 H new ATOM 272 N ASP A 18 10.582 24.442 -5.953 1.00 0.00 N ATOM 273 CA ASP A 18 10.965 25.683 -6.670 1.00 0.00 C ATOM 274 C ASP A 18 9.717 26.509 -7.024 1.00 0.00 C ATOM 275 O ASP A 18 9.654 27.720 -6.757 1.00 0.00 O ATOM 276 CB ASP A 18 11.745 25.344 -7.973 1.00 0.00 C ATOM 277 CG ASP A 18 13.124 24.699 -7.729 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.954 25.300 -7.015 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.407 23.615 -8.297 1.00 0.00 O ATOM 0 H ASP A 18 10.882 23.590 -6.426 1.00 0.00 H new ATOM 0 HA ASP A 18 11.607 26.267 -6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.142 24.669 -8.580 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.880 26.258 -8.551 1.00 0.00 H new ATOM 284 N ARG A 19 8.710 25.803 -7.585 1.00 0.00 N ATOM 285 CA ARG A 19 7.458 26.410 -8.075 1.00 0.00 C ATOM 286 C ARG A 19 6.625 26.993 -6.923 1.00 0.00 C ATOM 287 O ARG A 19 6.081 28.082 -7.052 1.00 0.00 O ATOM 288 CB ARG A 19 6.628 25.376 -8.919 1.00 0.00 C ATOM 289 CG ARG A 19 6.776 25.531 -10.452 1.00 0.00 C ATOM 290 CD ARG A 19 8.235 25.503 -10.943 1.00 0.00 C ATOM 291 NE ARG A 19 8.312 25.704 -12.406 1.00 0.00 N ATOM 292 CZ ARG A 19 8.748 26.820 -13.022 1.00 0.00 C ATOM 293 NH1 ARG A 19 9.160 27.864 -12.330 1.00 0.00 N ATOM 294 NH2 ARG A 19 8.760 26.887 -14.347 1.00 0.00 N ATOM 0 H ARG A 19 8.746 24.791 -7.710 1.00 0.00 H new ATOM 0 HA ARG A 19 7.724 27.239 -8.730 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.933 24.368 -8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.575 25.475 -8.657 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.222 24.731 -10.944 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.318 26.471 -10.758 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.807 26.280 -10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.691 24.549 -10.680 1.00 0.00 H new ATOM 0 HE ARG A 19 8.009 24.932 -12.999 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.152 27.835 -11.310 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.487 28.700 -12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.439 26.093 -14.901 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.090 27.733 -14.812 1.00 0.00 H new ATOM 308 N GLN A 20 6.546 26.281 -5.793 1.00 0.00 N ATOM 309 CA GLN A 20 5.736 26.731 -4.650 1.00 0.00 C ATOM 310 C GLN A 20 6.392 27.936 -3.962 1.00 0.00 C ATOM 311 O GLN A 20 5.677 28.779 -3.466 1.00 0.00 O ATOM 312 CB GLN A 20 5.501 25.599 -3.623 1.00 0.00 C ATOM 313 CG GLN A 20 6.768 25.142 -2.865 1.00 0.00 C ATOM 314 CD GLN A 20 6.543 24.386 -1.560 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.419 24.368 -0.697 1.00 0.00 O ATOM 316 NE2 GLN A 20 5.358 23.846 -1.352 1.00 0.00 N ATOM 0 H GLN A 20 7.029 25.395 -5.644 1.00 0.00 H new ATOM 0 HA GLN A 20 4.764 27.028 -5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.760 25.934 -2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.074 24.740 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.354 24.508 -3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.373 26.023 -2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.649 23.875 -2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.151 23.400 -0.459 1.00 0.00 H new ATOM 325 N ARG A 21 7.753 27.999 -3.950 1.00 0.00 N ATOM 326 CA ARG A 21 8.511 29.081 -3.271 1.00 0.00 C ATOM 327 C ARG A 21 8.296 30.426 -3.980 1.00 0.00 C ATOM 328 O ARG A 21 8.012 31.442 -3.330 1.00 0.00 O ATOM 329 CB ARG A 21 10.031 28.752 -3.196 1.00 0.00 C ATOM 330 CG ARG A 21 10.388 27.570 -2.267 1.00 0.00 C ATOM 331 CD ARG A 21 10.008 27.820 -0.801 1.00 0.00 C ATOM 332 NE ARG A 21 10.200 26.607 0.016 1.00 0.00 N ATOM 333 CZ ARG A 21 10.361 26.582 1.348 1.00 0.00 C ATOM 334 NH1 ARG A 21 10.489 27.703 2.051 1.00 0.00 N ATOM 335 NH2 ARG A 21 10.418 25.423 1.974 1.00 0.00 N ATOM 0 H ARG A 21 8.347 27.307 -4.407 1.00 0.00 H new ATOM 0 HA ARG A 21 8.130 29.156 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.391 28.529 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.565 29.639 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.880 26.672 -2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.459 27.376 -2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.614 28.632 -0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.968 28.140 -0.742 1.00 0.00 H new ATOM 0 HE ARG A 21 10.211 25.712 -0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.466 28.607 1.579 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.610 27.659 3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.340 24.554 1.446 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.540 25.396 2.986 1.00 0.00 H new ATOM 349 N GLU A 22 8.414 30.405 -5.323 1.00 0.00 N ATOM 350 CA GLU A 22 8.201 31.598 -6.161 1.00 0.00 C ATOM 351 C GLU A 22 6.733 32.046 -6.112 1.00 0.00 C ATOM 352 O GLU A 22 6.450 33.244 -6.151 1.00 0.00 O ATOM 353 CB GLU A 22 8.688 31.347 -7.614 1.00 0.00 C ATOM 354 CG GLU A 22 7.967 30.209 -8.353 1.00 0.00 C ATOM 355 CD GLU A 22 8.617 29.832 -9.695 1.00 0.00 C ATOM 356 OE1 GLU A 22 8.276 30.447 -10.731 1.00 0.00 O ATOM 357 OE2 GLU A 22 9.485 28.931 -9.717 1.00 0.00 O ATOM 0 H GLU A 22 8.658 29.567 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 22 8.799 32.415 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.565 32.267 -8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.755 31.126 -7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.944 29.328 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.932 30.502 -8.530 1.00 0.00 H new ATOM 364 N LEU A 23 5.817 31.071 -5.977 1.00 0.00 N ATOM 365 CA LEU A 23 4.377 31.340 -5.836 1.00 0.00 C ATOM 366 C LEU A 23 4.016 31.803 -4.407 1.00 0.00 C ATOM 367 O LEU A 23 3.106 32.607 -4.264 1.00 0.00 O ATOM 368 CB LEU A 23 3.544 30.102 -6.241 1.00 0.00 C ATOM 369 CG LEU A 23 3.537 29.735 -7.762 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.815 28.387 -8.010 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.905 30.871 -8.598 1.00 0.00 C ATOM 0 H LEU A 23 6.054 30.079 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 23 4.131 32.157 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.917 29.242 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.514 30.265 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 23 4.572 29.617 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.826 28.159 -9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.326 27.594 -7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.783 28.458 -7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.911 30.594 -9.652 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.878 31.035 -8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.480 31.787 -8.461 1.00 0.00 H new ATOM 383 N TYR A 24 4.743 31.309 -3.374 1.00 0.00 N ATOM 384 CA TYR A 24 4.518 31.704 -1.953 1.00 0.00 C ATOM 385 C TYR A 24 4.692 33.227 -1.809 1.00 0.00 C ATOM 386 O TYR A 24 3.801 33.928 -1.333 1.00 0.00 O ATOM 387 CB TYR A 24 5.512 30.981 -0.971 1.00 0.00 C ATOM 388 CG TYR A 24 5.132 29.555 -0.497 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.827 29.237 -0.118 1.00 0.00 C ATOM 390 CD2 TYR A 24 6.094 28.539 -0.376 1.00 0.00 C ATOM 391 CE1 TYR A 24 3.493 27.977 0.339 1.00 0.00 C ATOM 392 CE2 TYR A 24 5.756 27.282 0.076 1.00 0.00 C ATOM 393 CZ TYR A 24 4.460 27.007 0.437 1.00 0.00 C ATOM 394 OH TYR A 24 4.138 25.754 0.900 1.00 0.00 O ATOM 0 H TYR A 24 5.496 30.632 -3.496 1.00 0.00 H new ATOM 0 HA TYR A 24 3.504 31.404 -1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.486 30.926 -1.457 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.631 31.609 -0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.060 29.994 -0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.120 28.747 -0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.474 27.755 0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.511 26.513 0.146 1.00 0.00 H new ATOM 0 HH TYR A 24 3.559 25.304 0.250 1.00 0.00 H new ATOM 404 N ARG A 25 5.865 33.707 -2.261 1.00 0.00 N ATOM 405 CA ARG A 25 6.241 35.133 -2.203 1.00 0.00 C ATOM 406 C ARG A 25 5.453 35.971 -3.240 1.00 0.00 C ATOM 407 O ARG A 25 5.263 37.175 -3.046 1.00 0.00 O ATOM 408 CB ARG A 25 7.781 35.280 -2.373 1.00 0.00 C ATOM 409 CG ARG A 25 8.349 34.740 -3.705 1.00 0.00 C ATOM 410 CD ARG A 25 9.891 34.694 -3.719 1.00 0.00 C ATOM 411 NE ARG A 25 10.429 34.200 -5.003 1.00 0.00 N ATOM 412 CZ ARG A 25 11.210 33.109 -5.162 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.471 32.297 -4.142 1.00 0.00 N ATOM 414 NH2 ARG A 25 11.707 32.819 -6.357 1.00 0.00 N ATOM 0 H ARG A 25 6.582 33.114 -2.679 1.00 0.00 H new ATOM 0 HA ARG A 25 5.971 35.529 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.041 36.335 -2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.273 34.762 -1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.958 33.738 -3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.001 35.368 -4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.283 35.692 -3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.240 34.051 -2.911 1.00 0.00 H new ATOM 0 HE ARG A 25 10.190 34.728 -5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.079 32.493 -3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.063 31.478 -4.281 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.500 33.419 -7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.297 31.996 -6.478 1.00 0.00 H new ATOM 428 N ARG A 26 5.005 35.313 -4.340 1.00 0.00 N ATOM 429 CA ARG A 26 4.156 35.951 -5.372 1.00 0.00 C ATOM 430 C ARG A 26 2.796 36.397 -4.808 1.00 0.00 C ATOM 431 O ARG A 26 2.396 37.535 -5.006 1.00 0.00 O ATOM 432 CB ARG A 26 3.935 35.000 -6.579 1.00 0.00 C ATOM 433 CG ARG A 26 2.891 35.486 -7.614 1.00 0.00 C ATOM 434 CD ARG A 26 2.860 34.629 -8.890 1.00 0.00 C ATOM 435 NE ARG A 26 4.150 34.669 -9.602 1.00 0.00 N ATOM 436 CZ ARG A 26 4.516 35.609 -10.494 1.00 0.00 C ATOM 437 NH1 ARG A 26 3.702 36.612 -10.815 1.00 0.00 N ATOM 438 NH2 ARG A 26 5.714 35.552 -11.051 1.00 0.00 N ATOM 0 H ARG A 26 5.221 34.335 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 26 4.690 36.839 -5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.888 34.856 -7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.624 34.026 -6.202 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.903 35.478 -7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.109 36.519 -7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.619 33.598 -8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.069 34.986 -9.549 1.00 0.00 H new ATOM 0 HE ARG A 26 4.819 33.925 -9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.781 36.679 -10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.000 37.313 -11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.356 34.799 -10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.996 36.261 -11.727 1.00 0.00 H new ATOM 452 N LEU A 27 2.068 35.484 -4.136 1.00 0.00 N ATOM 453 CA LEU A 27 0.734 35.808 -3.577 1.00 0.00 C ATOM 454 C LEU A 27 0.863 36.537 -2.229 1.00 0.00 C ATOM 455 O LEU A 27 -0.009 37.330 -1.881 1.00 0.00 O ATOM 456 CB LEU A 27 -0.198 34.554 -3.527 1.00 0.00 C ATOM 457 CG LEU A 27 0.377 33.217 -2.933 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.453 33.207 -1.394 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.411 32.001 -3.450 1.00 0.00 C ATOM 0 H LEU A 27 2.374 34.526 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 27 0.240 36.505 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.082 34.821 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.532 34.348 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 27 1.406 33.150 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.859 32.254 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.100 34.017 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.546 33.343 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.007 31.089 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.456 32.093 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.342 31.958 -4.537 1.00 0.00 H new ATOM 471 N HIS A 28 1.989 36.316 -1.510 1.00 0.00 N ATOM 472 CA HIS A 28 2.356 37.120 -0.315 1.00 0.00 C ATOM 473 C HIS A 28 3.146 38.384 -0.731 1.00 0.00 C ATOM 474 O HIS A 28 3.968 38.862 0.029 1.00 0.00 O ATOM 475 CB HIS A 28 3.175 36.272 0.723 1.00 0.00 C ATOM 476 CG HIS A 28 2.347 35.480 1.707 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.739 35.266 3.014 1.00 0.00 N ATOM 478 CD2 HIS A 28 1.159 34.854 1.575 1.00 0.00 C ATOM 479 CE1 HIS A 28 1.825 34.551 3.627 1.00 0.00 C ATOM 480 NE2 HIS A 28 0.857 34.284 2.779 1.00 0.00 N ATOM 0 H HIS A 28 2.663 35.585 -1.737 1.00 0.00 H new ATOM 0 HA HIS A 28 1.431 37.431 0.170 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.818 35.582 0.177 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.828 36.943 1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.556 34.811 0.680 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.862 34.234 4.659 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.019 33.741 2.986 1.00 0.00 H new ATOM 932 N LEU A 58 -4.436 36.938 -1.857 1.00 0.00 N ATOM 933 CA LEU A 58 -3.636 35.843 -2.426 1.00 0.00 C ATOM 934 C LEU A 58 -4.328 35.357 -3.712 1.00 0.00 C ATOM 935 O LEU A 58 -5.549 35.136 -3.694 1.00 0.00 O ATOM 936 CB LEU A 58 -3.477 34.650 -1.435 1.00 0.00 C ATOM 937 CG LEU A 58 -3.130 34.979 0.054 1.00 0.00 C ATOM 938 CD1 LEU A 58 -2.777 33.694 0.835 1.00 0.00 C ATOM 939 CD2 LEU A 58 -2.011 36.035 0.184 1.00 0.00 C ATOM 0 HA LEU A 58 -2.635 36.221 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.407 34.081 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.698 33.994 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.024 35.417 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.540 33.950 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.627 33.012 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.915 33.213 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.811 36.225 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.105 35.666 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.326 36.960 -0.298 1.00 0.00 H new ATOM 951 N GLY A 59 -3.555 35.214 -4.804 1.00 0.00 N ATOM 952 CA GLY A 59 -4.089 34.753 -6.091 1.00 0.00 C ATOM 953 C GLY A 59 -4.689 33.354 -5.990 1.00 0.00 C ATOM 954 O GLY A 59 -4.037 32.462 -5.452 1.00 0.00 O ATOM 0 H GLY A 59 -2.555 35.413 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.851 35.451 -6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.293 34.754 -6.836 1.00 0.00 H new ATOM 958 N GLN A 60 -5.930 33.172 -6.507 1.00 0.00 N ATOM 959 CA GLN A 60 -6.687 31.903 -6.377 1.00 0.00 C ATOM 960 C GLN A 60 -5.974 30.754 -7.114 1.00 0.00 C ATOM 961 O GLN A 60 -5.855 29.653 -6.584 1.00 0.00 O ATOM 962 CB GLN A 60 -8.140 32.077 -6.901 1.00 0.00 C ATOM 963 CG GLN A 60 -9.029 30.824 -6.736 1.00 0.00 C ATOM 964 CD GLN A 60 -10.454 30.976 -7.279 1.00 0.00 C ATOM 965 OE1 GLN A 60 -11.027 32.066 -7.288 1.00 0.00 O ATOM 966 NE2 GLN A 60 -11.040 29.872 -7.725 1.00 0.00 N ATOM 0 H GLN A 60 -6.431 33.896 -7.022 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.732 31.644 -5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.606 32.911 -6.376 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.103 32.346 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.549 29.986 -7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.083 30.570 -5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.538 28.984 -7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.992 29.911 -8.089 1.00 0.00 H new ATOM 975 N VAL A 61 -5.481 31.047 -8.333 1.00 0.00 N ATOM 976 CA VAL A 61 -4.656 30.104 -9.122 1.00 0.00 C ATOM 977 C VAL A 61 -3.383 29.705 -8.349 1.00 0.00 C ATOM 978 O VAL A 61 -2.952 28.563 -8.427 1.00 0.00 O ATOM 979 CB VAL A 61 -4.299 30.702 -10.545 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.517 32.036 -10.443 1.00 0.00 C ATOM 981 CG2 VAL A 61 -3.539 29.671 -11.430 1.00 0.00 C ATOM 0 H VAL A 61 -5.641 31.940 -8.799 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.246 29.202 -9.284 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.248 30.923 -11.034 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.296 32.406 -11.444 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.120 32.771 -9.910 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.585 31.871 -9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.312 30.119 -12.397 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.611 29.383 -10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.161 28.788 -11.576 1.00 0.00 H new ATOM 991 N GLY A 62 -2.829 30.660 -7.580 1.00 0.00 N ATOM 992 CA GLY A 62 -1.685 30.401 -6.712 1.00 0.00 C ATOM 993 C GLY A 62 -2.043 29.486 -5.543 1.00 0.00 C ATOM 994 O GLY A 62 -1.312 28.557 -5.249 1.00 0.00 O ATOM 0 H GLY A 62 -3.164 31.623 -7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.884 29.946 -7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.302 31.346 -6.327 1.00 0.00 H new ATOM 998 N GLN A 63 -3.205 29.744 -4.908 1.00 0.00 N ATOM 999 CA GLN A 63 -3.671 29.017 -3.704 1.00 0.00 C ATOM 1000 C GLN A 63 -4.014 27.544 -4.027 1.00 0.00 C ATOM 1001 O GLN A 63 -3.594 26.640 -3.310 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.913 29.731 -3.102 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.643 31.066 -2.373 1.00 0.00 C ATOM 1004 CD GLN A 63 -5.925 31.731 -1.847 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -5.838 32.413 -0.714 1.00 0.00 O flip ATOM 1006 NE2 GLN A 63 -6.993 31.611 -2.445 1.00 0.00 N flip ATOM 0 H GLN A 63 -3.853 30.468 -5.217 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.860 29.020 -2.976 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.625 29.917 -3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.395 29.049 -2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.964 30.888 -1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.138 31.751 -3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.033 31.081 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.838 32.042 -2.071 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.788 27.327 -5.110 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.212 25.976 -5.555 1.00 0.00 C ATOM 1017 C ASP A 64 -4.013 25.168 -6.058 1.00 0.00 C ATOM 1018 O ASP A 64 -3.922 23.966 -5.801 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.294 26.051 -6.669 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.661 26.535 -6.161 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -8.450 25.710 -5.663 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -7.960 27.737 -6.249 1.00 0.00 O ATOM 0 H ASP A 64 -5.138 28.080 -5.703 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.645 25.476 -4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.949 26.722 -7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.410 25.065 -7.119 1.00 0.00 H new ATOM 1027 N GLU A 65 -3.098 25.844 -6.777 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.893 25.193 -7.311 1.00 0.00 C ATOM 1029 C GLU A 65 -0.924 24.852 -6.166 1.00 0.00 C ATOM 1030 O GLU A 65 -0.260 23.829 -6.219 1.00 0.00 O ATOM 1031 CB GLU A 65 -1.220 26.066 -8.393 1.00 0.00 C ATOM 1032 CG GLU A 65 -0.097 25.365 -9.187 1.00 0.00 C ATOM 1033 CD GLU A 65 0.280 26.087 -10.494 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -0.433 25.902 -11.505 1.00 0.00 O ATOM 1035 OE2 GLU A 65 1.284 26.826 -10.529 1.00 0.00 O ATOM 0 H GLU A 65 -3.172 26.837 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.185 24.260 -7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.984 26.404 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.808 26.956 -7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.789 25.288 -8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.410 24.348 -9.422 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.902 25.702 -5.116 1.00 0.00 N ATOM 1043 CA LEU A 66 -0.129 25.445 -3.873 1.00 0.00 C ATOM 1044 C LEU A 66 -0.695 24.238 -3.121 1.00 0.00 C ATOM 1045 O LEU A 66 0.058 23.436 -2.585 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.121 26.710 -2.947 1.00 0.00 C ATOM 1047 CG LEU A 66 1.190 27.562 -2.949 1.00 0.00 C ATOM 1048 CD1 LEU A 66 1.691 27.834 -4.373 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.979 28.879 -2.170 1.00 0.00 C ATOM 0 H LEU A 66 -1.416 26.583 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 66 0.899 25.223 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.949 27.355 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.317 26.387 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 66 1.964 26.983 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.603 28.429 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.898 26.888 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.928 28.379 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.901 29.460 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.181 29.455 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.705 28.652 -1.140 1.00 0.00 H new ATOM 1061 N ARG A 67 -2.035 24.151 -3.069 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.740 23.011 -2.467 1.00 0.00 C ATOM 1063 C ARG A 67 -2.321 21.714 -3.174 1.00 0.00 C ATOM 1064 O ARG A 67 -2.042 20.721 -2.523 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.281 23.198 -2.556 1.00 0.00 C ATOM 1066 CG ARG A 67 -5.102 22.004 -2.007 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.608 22.155 -2.259 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.357 20.937 -1.897 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.528 20.564 -2.447 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.106 21.301 -3.392 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.119 19.449 -2.056 1.00 0.00 N ATOM 0 H ARG A 67 -2.657 24.868 -3.443 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.469 22.953 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.558 24.097 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.555 23.364 -3.598 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.751 21.083 -2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.925 21.909 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.989 22.998 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.778 22.385 -3.311 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.959 20.333 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.662 22.162 -3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.993 21.005 -3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.688 18.869 -1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.006 19.168 -2.474 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.243 21.790 -4.518 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.868 20.669 -5.394 1.00 0.00 C ATOM 1087 C ALA A 68 -0.375 20.299 -5.250 1.00 0.00 C ATOM 1088 O ALA A 68 -0.031 19.114 -5.248 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.196 21.030 -6.854 1.00 0.00 C ATOM 0 H ALA A 68 -2.443 22.649 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.444 19.794 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.919 20.201 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.264 21.225 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.637 21.920 -7.143 1.00 0.00 H new ATOM 1095 N ILE A 69 0.504 21.328 -5.123 1.00 0.00 N ATOM 1096 CA ILE A 69 1.959 21.129 -5.010 1.00 0.00 C ATOM 1097 C ILE A 69 2.279 20.471 -3.661 1.00 0.00 C ATOM 1098 O ILE A 69 2.912 19.423 -3.611 1.00 0.00 O ATOM 1099 CB ILE A 69 2.755 22.494 -5.177 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.678 23.021 -6.654 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.226 22.351 -4.734 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.309 24.388 -6.897 1.00 0.00 C ATOM 0 H ILE A 69 0.219 22.307 -5.097 1.00 0.00 H new ATOM 0 HA ILE A 69 2.282 20.473 -5.819 1.00 0.00 H new ATOM 0 HB ILE A 69 2.276 23.225 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.164 22.295 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.630 23.066 -6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.739 23.304 -4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.263 22.057 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.717 21.590 -5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.201 24.657 -7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.810 25.134 -6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.367 24.351 -6.639 1.00 0.00 H new ATOM 1114 N ASP A 70 1.795 21.108 -2.588 1.00 0.00 N ATOM 1115 CA ASP A 70 1.974 20.649 -1.196 1.00 0.00 C ATOM 1116 C ASP A 70 1.228 19.335 -0.906 1.00 0.00 C ATOM 1117 O ASP A 70 1.595 18.626 0.033 1.00 0.00 O ATOM 1118 CB ASP A 70 1.529 21.763 -0.213 1.00 0.00 C ATOM 1119 CG ASP A 70 2.532 22.923 -0.148 1.00 0.00 C ATOM 1120 OD1 ASP A 70 3.504 22.826 0.635 1.00 0.00 O ATOM 1121 OD2 ASP A 70 2.382 23.919 -0.898 1.00 0.00 O ATOM 0 H ASP A 70 1.258 21.972 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 70 3.034 20.441 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.555 22.145 -0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.406 21.337 0.783 1.00 0.00 H new ATOM 1126 N ALA A 71 0.175 19.033 -1.701 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.499 17.716 -1.667 1.00 0.00 C ATOM 1128 C ALA A 71 0.479 16.653 -2.160 1.00 0.00 C ATOM 1129 O ALA A 71 0.782 15.709 -1.444 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.786 17.696 -2.520 1.00 0.00 C ATOM 0 H ALA A 71 -0.226 19.686 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.799 17.510 -0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.245 16.709 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.484 18.443 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.539 17.922 -3.557 1.00 0.00 H new ATOM 1136 N ALA A 72 1.018 16.895 -3.370 1.00 0.00 N ATOM 1137 CA ALA A 72 1.956 15.993 -4.056 1.00 0.00 C ATOM 1138 C ALA A 72 3.224 15.750 -3.208 1.00 0.00 C ATOM 1139 O ALA A 72 3.665 14.613 -3.074 1.00 0.00 O ATOM 1140 CB ALA A 72 2.310 16.566 -5.438 1.00 0.00 C ATOM 0 H ALA A 72 0.809 17.738 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 72 1.473 15.025 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.005 15.895 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.403 16.665 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.774 17.545 -5.318 1.00 0.00 H new ATOM 1146 N LEU A 73 3.743 16.833 -2.597 1.00 0.00 N ATOM 1147 CA LEU A 73 4.948 16.808 -1.731 1.00 0.00 C ATOM 1148 C LEU A 73 4.692 16.041 -0.420 1.00 0.00 C ATOM 1149 O LEU A 73 5.567 15.313 0.063 1.00 0.00 O ATOM 1150 CB LEU A 73 5.416 18.258 -1.430 1.00 0.00 C ATOM 1151 CG LEU A 73 5.958 19.048 -2.665 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.198 20.534 -2.331 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.235 18.387 -3.229 1.00 0.00 C ATOM 0 H LEU A 73 3.335 17.763 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 73 5.736 16.281 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.580 18.812 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.197 18.221 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 73 5.191 19.011 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.574 21.049 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.261 20.992 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.929 20.613 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.591 18.957 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.007 18.371 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.010 17.367 -3.539 1.00 0.00 H new ATOM 1165 N ALA A 74 3.476 16.214 0.140 1.00 0.00 N ATOM 1166 CA ALA A 74 3.022 15.470 1.337 1.00 0.00 C ATOM 1167 C ALA A 74 2.896 13.970 1.020 1.00 0.00 C ATOM 1168 O ALA A 74 3.144 13.130 1.881 1.00 0.00 O ATOM 1169 CB ALA A 74 1.683 16.022 1.857 1.00 0.00 C ATOM 0 H ALA A 74 2.783 16.870 -0.222 1.00 0.00 H new ATOM 0 HA ALA A 74 3.769 15.602 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.373 15.457 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.801 17.072 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.924 15.928 1.080 1.00 0.00 H new ATOM 1175 N ARG A 75 2.520 13.662 -0.242 1.00 0.00 N ATOM 1176 CA ARG A 75 2.391 12.279 -0.741 1.00 0.00 C ATOM 1177 C ARG A 75 3.770 11.644 -0.996 1.00 0.00 C ATOM 1178 O ARG A 75 3.900 10.430 -0.927 1.00 0.00 O ATOM 1179 CB ARG A 75 1.510 12.226 -2.022 1.00 0.00 C ATOM 1180 CG ARG A 75 0.063 12.705 -1.803 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.818 12.629 -3.065 1.00 0.00 C ATOM 1182 NE ARG A 75 -2.110 13.323 -2.880 1.00 0.00 N ATOM 1183 CZ ARG A 75 -3.109 12.924 -2.065 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -3.014 11.818 -1.330 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -4.213 13.651 -1.981 1.00 0.00 N ATOM 0 H ARG A 75 2.298 14.369 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 75 1.895 11.695 0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.973 12.840 -2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.491 11.202 -2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.393 12.104 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.082 13.735 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.285 13.072 -3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.000 11.584 -3.318 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.260 14.178 -3.415 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.170 11.247 -1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.786 11.541 -0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.304 14.506 -2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.972 13.356 -1.367 1.00 0.00 H new ATOM 1199 N ILE A 76 4.792 12.470 -1.300 1.00 0.00 N ATOM 1200 CA ILE A 76 6.191 11.988 -1.441 1.00 0.00 C ATOM 1201 C ILE A 76 6.730 11.585 -0.056 1.00 0.00 C ATOM 1202 O ILE A 76 7.330 10.517 0.110 1.00 0.00 O ATOM 1203 CB ILE A 76 7.132 13.074 -2.104 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.573 13.492 -3.504 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.590 12.548 -2.227 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.259 14.661 -4.183 1.00 0.00 C ATOM 0 H ILE A 76 4.680 13.472 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 76 6.187 11.124 -2.105 1.00 0.00 H new ATOM 0 HB ILE A 76 7.149 13.953 -1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.633 12.629 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.516 13.735 -3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.216 13.314 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.976 12.310 -1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.602 11.651 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.782 14.854 -5.144 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.177 15.547 -3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.311 14.424 -4.341 1.00 0.00 H new ATOM 1218 N ALA A 77 6.455 12.454 0.931 1.00 0.00 N ATOM 1219 CA ALA A 77 6.815 12.238 2.341 1.00 0.00 C ATOM 1220 C ALA A 77 6.051 11.035 2.938 1.00 0.00 C ATOM 1221 O ALA A 77 6.582 10.309 3.779 1.00 0.00 O ATOM 1222 CB ALA A 77 6.545 13.524 3.143 1.00 0.00 C ATOM 0 H ALA A 77 5.970 13.337 0.769 1.00 0.00 H new ATOM 0 HA ALA A 77 7.877 12.002 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.812 13.364 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.144 14.339 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.488 13.781 3.074 1.00 0.00 H new ATOM 1228 N SER A 78 4.806 10.824 2.463 1.00 0.00 N ATOM 1229 CA SER A 78 3.934 9.723 2.924 1.00 0.00 C ATOM 1230 C SER A 78 4.237 8.404 2.175 1.00 0.00 C ATOM 1231 O SER A 78 3.944 7.316 2.684 1.00 0.00 O ATOM 1232 CB SER A 78 2.453 10.123 2.733 1.00 0.00 C ATOM 1233 OG SER A 78 1.568 9.157 3.276 1.00 0.00 O ATOM 0 H SER A 78 4.377 11.412 1.749 1.00 0.00 H new ATOM 0 HA SER A 78 4.132 9.550 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.274 11.087 3.209 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.245 10.248 1.670 1.00 0.00 H new ATOM 0 HG SER A 78 0.642 9.447 3.137 1.00 0.00 H new ATOM 1239 N GLY A 79 4.825 8.522 0.966 1.00 0.00 N ATOM 1240 CA GLY A 79 5.148 7.363 0.118 1.00 0.00 C ATOM 1241 C GLY A 79 3.997 6.922 -0.789 1.00 0.00 C ATOM 1242 O GLY A 79 4.008 5.802 -1.297 1.00 0.00 O ATOM 0 H GLY A 79 5.086 9.418 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.012 7.606 -0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.437 6.527 0.755 1.00 0.00 H new ATOM 1246 N THR A 80 2.995 7.798 -0.974 1.00 0.00 N ATOM 1247 CA THR A 80 1.822 7.548 -1.847 1.00 0.00 C ATOM 1248 C THR A 80 1.804 8.519 -3.066 1.00 0.00 C ATOM 1249 O THR A 80 0.764 8.710 -3.717 1.00 0.00 O ATOM 1250 CB THR A 80 0.494 7.649 -1.004 1.00 0.00 C ATOM 1251 OG1 THR A 80 -0.655 7.314 -1.806 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.286 9.043 -0.377 1.00 0.00 C ATOM 0 H THR A 80 2.971 8.711 -0.520 1.00 0.00 H new ATOM 0 HA THR A 80 1.897 6.538 -2.250 1.00 0.00 H new ATOM 0 HB THR A 80 0.600 6.930 -0.192 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.612 7.797 -2.657 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.644 9.051 0.191 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.119 9.271 0.288 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.236 9.793 -1.166 1.00 0.00 H new ATOM 1260 N PHE A 81 2.971 9.132 -3.382 1.00 0.00 N ATOM 1261 CA PHE A 81 3.145 9.903 -4.631 1.00 0.00 C ATOM 1262 C PHE A 81 3.223 8.934 -5.815 1.00 0.00 C ATOM 1263 O PHE A 81 3.910 7.910 -5.731 1.00 0.00 O ATOM 1264 CB PHE A 81 4.416 10.778 -4.578 1.00 0.00 C ATOM 1265 CG PHE A 81 4.616 11.688 -5.807 1.00 0.00 C ATOM 1266 CD1 PHE A 81 3.867 12.860 -5.954 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.570 11.391 -6.786 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.053 13.689 -7.047 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.752 12.224 -7.879 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.003 13.380 -8.000 1.00 0.00 C ATOM 0 H PHE A 81 3.801 9.106 -2.790 1.00 0.00 H new ATOM 0 HA PHE A 81 2.289 10.567 -4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.377 11.400 -3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.285 10.128 -4.477 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.134 13.122 -5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.173 10.500 -6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.453 14.580 -7.155 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.479 11.970 -8.636 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.161 14.041 -8.840 1.00 0.00 H new ATOM 1280 N GLY A 82 2.542 9.291 -6.912 1.00 0.00 N ATOM 1281 CA GLY A 82 2.366 8.398 -8.052 1.00 0.00 C ATOM 1282 C GLY A 82 1.124 7.521 -7.903 1.00 0.00 C ATOM 1283 O GLY A 82 0.940 6.581 -8.668 1.00 0.00 O ATOM 0 H GLY A 82 2.102 10.204 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.287 8.987 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.247 7.765 -8.156 1.00 0.00 H new ATOM 1287 N THR A 83 0.264 7.847 -6.909 1.00 0.00 N ATOM 1288 CA THR A 83 -1.027 7.165 -6.692 1.00 0.00 C ATOM 1289 C THR A 83 -2.177 8.176 -6.837 1.00 0.00 C ATOM 1290 O THR A 83 -2.249 9.167 -6.096 1.00 0.00 O ATOM 1291 CB THR A 83 -1.103 6.507 -5.274 1.00 0.00 C ATOM 1292 OG1 THR A 83 0.071 5.713 -5.058 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.364 5.624 -5.110 1.00 0.00 C ATOM 0 H THR A 83 0.449 8.591 -6.236 1.00 0.00 H new ATOM 0 HA THR A 83 -1.115 6.378 -7.441 1.00 0.00 H new ATOM 0 HB THR A 83 -1.163 7.307 -4.536 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.028 5.300 -4.170 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.375 5.188 -4.111 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.256 6.234 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.350 4.827 -5.854 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.048 7.925 -7.824 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.297 8.664 -8.001 1.00 0.00 C ATOM 1303 C CYS A 84 -5.312 8.233 -6.940 1.00 0.00 C ATOM 1304 O CYS A 84 -6.048 7.262 -7.134 1.00 0.00 O ATOM 1305 CB CYS A 84 -4.881 8.442 -9.401 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.386 9.407 -9.683 1.00 0.00 S ATOM 0 H CYS A 84 -2.901 7.198 -8.524 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.081 9.726 -7.888 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.135 8.710 -10.149 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.101 7.383 -9.536 1.00 0.00 H new ATOM 0 HG CYS A 84 -6.773 9.257 -10.915 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.330 8.971 -5.823 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.200 8.691 -4.659 1.00 0.00 C ATOM 1313 C VAL A 85 -7.706 8.893 -4.973 1.00 0.00 C ATOM 1314 O VAL A 85 -8.563 8.432 -4.215 1.00 0.00 O ATOM 1315 CB VAL A 85 -5.765 9.574 -3.424 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.326 9.206 -2.960 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -5.891 11.091 -3.745 1.00 0.00 C ATOM 0 H VAL A 85 -4.736 9.790 -5.694 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.071 7.637 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.444 9.359 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.048 9.827 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.295 8.156 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.625 9.377 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.585 11.673 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.251 11.338 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.926 11.326 -3.993 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.006 9.565 -6.109 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.394 9.839 -6.545 1.00 0.00 C ATOM 1329 C LYS A 86 -10.067 8.581 -7.152 1.00 0.00 C ATOM 1330 O LYS A 86 -11.290 8.537 -7.291 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.415 11.014 -7.567 1.00 0.00 C ATOM 1332 CG LYS A 86 -10.802 11.692 -7.719 1.00 0.00 C ATOM 1333 CD LYS A 86 -10.822 12.823 -8.775 1.00 0.00 C ATOM 1334 CE LYS A 86 -12.073 13.718 -8.673 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.339 12.950 -8.810 1.00 0.00 N ATOM 0 H LYS A 86 -7.297 9.930 -6.745 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.968 10.122 -5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.687 11.764 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.095 10.642 -8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.539 10.937 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.106 12.100 -6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.930 13.439 -8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.776 12.384 -9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.068 14.235 -7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.031 14.484 -9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.147 13.603 -8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.345 12.450 -9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.411 12.259 -8.036 1.00 0.00 H new ATOM 1349 N CYS A 87 -9.261 7.571 -7.536 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.794 6.284 -8.061 1.00 0.00 C ATOM 1351 C CYS A 87 -8.932 5.074 -7.620 1.00 0.00 C ATOM 1352 O CYS A 87 -9.169 3.946 -8.074 1.00 0.00 O ATOM 1353 CB CYS A 87 -9.934 6.346 -9.607 1.00 0.00 C ATOM 1354 SG CYS A 87 -8.357 6.499 -10.507 1.00 0.00 S ATOM 0 H CYS A 87 -8.243 7.615 -7.495 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.784 6.135 -7.631 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -10.446 5.446 -9.948 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -10.569 7.193 -9.867 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.743 7.580 -10.126 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.961 5.318 -6.703 1.00 0.00 N ATOM 1360 CA GLY A 88 -7.072 4.267 -6.165 1.00 0.00 C ATOM 1361 C GLY A 88 -6.184 3.596 -7.218 1.00 0.00 C ATOM 1362 O GLY A 88 -5.875 2.403 -7.109 1.00 0.00 O ATOM 0 H GLY A 88 -7.776 6.245 -6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.436 4.704 -5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.682 3.504 -5.680 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.784 4.368 -8.245 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.985 3.861 -9.388 1.00 0.00 C ATOM 1368 C LYS A 89 -3.601 4.547 -9.413 1.00 0.00 C ATOM 1369 O LYS A 89 -3.238 5.246 -8.468 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.764 4.111 -10.718 1.00 0.00 C ATOM 1371 CG LYS A 89 -7.186 3.494 -10.780 1.00 0.00 C ATOM 1372 CD LYS A 89 -7.213 1.949 -10.748 1.00 0.00 C ATOM 1373 CE LYS A 89 -6.583 1.308 -11.994 1.00 0.00 C ATOM 1374 NZ LYS A 89 -6.748 -0.167 -11.995 1.00 0.00 N ATOM 0 H LYS A 89 -6.003 5.362 -8.311 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.825 2.789 -9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.845 5.187 -10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.176 3.712 -11.545 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.770 3.873 -9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.678 3.835 -11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.684 1.601 -9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.245 1.612 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.042 1.726 -12.890 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.522 1.556 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.311 -0.565 -12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.288 -0.568 -11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.761 -0.403 -11.982 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.839 4.317 -10.497 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.493 4.894 -10.704 1.00 0.00 C ATOM 1390 C ARG A 90 -1.598 6.265 -11.422 1.00 0.00 C ATOM 1391 O ARG A 90 -2.569 6.521 -12.150 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.660 3.886 -11.559 1.00 0.00 C ATOM 1393 CG ARG A 90 0.829 4.253 -11.803 1.00 0.00 C ATOM 1394 CD ARG A 90 1.695 4.168 -10.535 1.00 0.00 C ATOM 1395 NE ARG A 90 1.816 2.794 -10.027 1.00 0.00 N ATOM 1396 CZ ARG A 90 2.207 2.453 -8.788 1.00 0.00 C ATOM 1397 NH1 ARG A 90 2.441 3.378 -7.864 1.00 0.00 N ATOM 1398 NH2 ARG A 90 2.346 1.177 -8.472 1.00 0.00 N ATOM 0 H ARG A 90 -3.142 3.718 -11.265 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.003 5.061 -9.745 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.696 2.912 -11.070 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.148 3.775 -12.528 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.240 3.586 -12.560 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.885 5.265 -12.205 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.689 4.561 -10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.263 4.802 -9.761 1.00 0.00 H new ATOM 0 HE ARG A 90 1.584 2.036 -10.669 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.324 4.366 -8.090 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.737 3.101 -6.928 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.157 0.456 -9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.643 0.914 -7.532 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.620 7.159 -11.168 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.395 8.364 -11.999 1.00 0.00 C ATOM 1414 C ILE A 91 0.645 7.999 -13.081 1.00 0.00 C ATOM 1415 O ILE A 91 1.639 7.326 -12.773 1.00 0.00 O ATOM 1416 CB ILE A 91 0.161 9.604 -11.182 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.655 9.879 -9.879 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.179 10.871 -12.079 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.009 10.506 -10.087 1.00 0.00 C ATOM 0 H ILE A 91 0.032 7.069 -10.389 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.358 8.660 -12.414 1.00 0.00 H new ATOM 0 HB ILE A 91 1.178 9.356 -10.877 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.787 8.937 -9.347 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.067 10.530 -9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.563 11.716 -11.507 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.820 10.696 -12.943 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.833 11.092 -12.417 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.493 10.655 -9.122 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.892 11.468 -10.587 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.623 9.849 -10.703 1.00 0.00 H new ATOM 1431 N SER A 92 0.429 8.463 -14.321 1.00 0.00 N ATOM 1432 CA SER A 92 1.345 8.185 -15.446 1.00 0.00 C ATOM 1433 C SER A 92 2.633 9.015 -15.311 1.00 0.00 C ATOM 1434 O SER A 92 2.617 10.101 -14.734 1.00 0.00 O ATOM 1435 CB SER A 92 0.637 8.487 -16.788 1.00 0.00 C ATOM 1436 OG SER A 92 -0.563 7.737 -16.910 1.00 0.00 O ATOM 0 H SER A 92 -0.376 9.036 -14.574 1.00 0.00 H new ATOM 0 HA SER A 92 1.620 7.130 -15.425 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.413 9.552 -16.854 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.304 8.250 -17.617 1.00 0.00 H new ATOM 0 HG SER A 92 -0.994 7.946 -17.765 1.00 0.00 H new ATOM 1442 N GLU A 93 3.743 8.482 -15.851 1.00 0.00 N ATOM 1443 CA GLU A 93 5.037 9.193 -15.919 1.00 0.00 C ATOM 1444 C GLU A 93 4.888 10.475 -16.765 1.00 0.00 C ATOM 1445 O GLU A 93 5.408 11.530 -16.403 1.00 0.00 O ATOM 1446 CB GLU A 93 6.114 8.267 -16.535 1.00 0.00 C ATOM 1447 CG GLU A 93 7.523 8.889 -16.675 1.00 0.00 C ATOM 1448 CD GLU A 93 8.490 7.987 -17.460 1.00 0.00 C ATOM 1449 OE1 GLU A 93 9.012 7.010 -16.887 1.00 0.00 O ATOM 1450 OE2 GLU A 93 8.712 8.240 -18.670 1.00 0.00 O ATOM 0 H GLU A 93 3.771 7.545 -16.254 1.00 0.00 H new ATOM 0 HA GLU A 93 5.346 9.471 -14.911 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.191 7.369 -15.921 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.776 7.951 -17.522 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.443 9.853 -17.177 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.933 9.079 -15.683 1.00 0.00 H new ATOM 1457 N ASP A 94 4.142 10.344 -17.882 1.00 0.00 N ATOM 1458 CA ASP A 94 3.847 11.455 -18.810 1.00 0.00 C ATOM 1459 C ASP A 94 2.947 12.508 -18.150 1.00 0.00 C ATOM 1460 O ASP A 94 3.072 13.703 -18.435 1.00 0.00 O ATOM 1461 CB ASP A 94 3.199 10.937 -20.124 1.00 0.00 C ATOM 1462 CG ASP A 94 4.127 10.012 -20.927 1.00 0.00 C ATOM 1463 OD1 ASP A 94 5.246 10.446 -21.283 1.00 0.00 O ATOM 1464 OD2 ASP A 94 3.743 8.859 -21.223 1.00 0.00 O ATOM 0 H ASP A 94 3.725 9.458 -18.167 1.00 0.00 H new ATOM 0 HA ASP A 94 4.797 11.927 -19.061 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.281 10.401 -19.883 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.918 11.788 -20.744 1.00 0.00 H new ATOM 1469 N ARG A 95 2.048 12.042 -17.269 1.00 0.00 N ATOM 1470 CA ARG A 95 1.176 12.914 -16.460 1.00 0.00 C ATOM 1471 C ARG A 95 2.031 13.719 -15.466 1.00 0.00 C ATOM 1472 O ARG A 95 1.847 14.918 -15.330 1.00 0.00 O ATOM 1473 CB ARG A 95 0.116 12.068 -15.696 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.986 12.861 -14.942 1.00 0.00 C ATOM 1475 CD ARG A 95 -2.126 13.386 -15.852 1.00 0.00 C ATOM 1476 NE ARG A 95 -1.795 14.664 -16.521 1.00 0.00 N ATOM 1477 CZ ARG A 95 -1.679 14.857 -17.848 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -1.722 13.839 -18.693 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -1.496 16.083 -18.320 1.00 0.00 N ATOM 0 H ARG A 95 1.903 11.047 -17.096 1.00 0.00 H new ATOM 0 HA ARG A 95 0.651 13.602 -17.122 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.370 11.403 -16.410 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.637 11.437 -14.976 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.416 12.221 -14.172 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.525 13.707 -14.432 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.353 12.635 -16.609 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -3.028 13.519 -15.254 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.640 15.474 -15.921 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.845 12.889 -18.342 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -1.632 14.004 -19.696 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.444 16.874 -17.678 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.407 16.235 -19.325 1.00 0.00 H new ATOM 1493 N LEU A 96 2.991 13.030 -14.821 1.00 0.00 N ATOM 1494 CA LEU A 96 3.870 13.617 -13.787 1.00 0.00 C ATOM 1495 C LEU A 96 4.893 14.600 -14.388 1.00 0.00 C ATOM 1496 O LEU A 96 5.239 15.596 -13.764 1.00 0.00 O ATOM 1497 CB LEU A 96 4.617 12.497 -13.004 1.00 0.00 C ATOM 1498 CG LEU A 96 3.746 11.638 -12.038 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.556 10.477 -11.412 1.00 0.00 C ATOM 1500 CD2 LEU A 96 3.089 12.524 -10.948 1.00 0.00 C ATOM 0 H LEU A 96 3.181 12.044 -15.002 1.00 0.00 H new ATOM 0 HA LEU A 96 3.230 14.174 -13.103 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.089 11.830 -13.726 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.418 12.958 -12.426 1.00 0.00 H new ATOM 0 HG LEU A 96 2.949 11.187 -12.629 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.913 9.903 -10.745 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.931 9.827 -12.203 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.395 10.882 -10.847 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.487 11.901 -10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.865 13.023 -10.368 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.452 13.271 -11.422 1.00 0.00 H new ATOM 1512 N LYS A 97 5.395 14.300 -15.595 1.00 0.00 N ATOM 1513 CA LYS A 97 6.419 15.139 -16.251 1.00 0.00 C ATOM 1514 C LYS A 97 5.770 16.406 -16.847 1.00 0.00 C ATOM 1515 O LYS A 97 6.418 17.446 -16.959 1.00 0.00 O ATOM 1516 CB LYS A 97 7.215 14.334 -17.325 1.00 0.00 C ATOM 1517 CG LYS A 97 6.480 14.079 -18.662 1.00 0.00 C ATOM 1518 CD LYS A 97 7.305 13.205 -19.644 1.00 0.00 C ATOM 1519 CE LYS A 97 7.673 11.829 -19.060 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.430 10.987 -20.024 1.00 0.00 N ATOM 0 H LYS A 97 5.112 13.485 -16.139 1.00 0.00 H new ATOM 0 HA LYS A 97 7.141 15.453 -15.497 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.141 14.868 -17.538 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.493 13.371 -16.897 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.527 13.590 -18.460 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.254 15.035 -19.135 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.735 13.063 -20.562 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.218 13.735 -19.914 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.269 11.968 -18.158 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.763 11.308 -18.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.566 10.037 -19.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.897 10.914 -20.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.357 11.420 -20.210 1.00 0.00 H new ATOM 1534 N ALA A 98 4.476 16.287 -17.214 1.00 0.00 N ATOM 1535 CA ALA A 98 3.666 17.412 -17.717 1.00 0.00 C ATOM 1536 C ALA A 98 3.178 18.294 -16.555 1.00 0.00 C ATOM 1537 O ALA A 98 3.188 19.523 -16.642 1.00 0.00 O ATOM 1538 CB ALA A 98 2.475 16.876 -18.529 1.00 0.00 C ATOM 0 H ALA A 98 3.965 15.406 -17.169 1.00 0.00 H new ATOM 0 HA ALA A 98 4.287 18.028 -18.368 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.880 17.712 -18.898 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.843 16.292 -19.373 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.856 16.243 -17.893 1.00 0.00 H new ATOM 1544 N VAL A 99 2.778 17.633 -15.462 1.00 0.00 N ATOM 1545 CA VAL A 99 2.209 18.266 -14.266 1.00 0.00 C ATOM 1546 C VAL A 99 2.511 17.368 -13.032 1.00 0.00 C ATOM 1547 O VAL A 99 1.813 16.386 -12.788 1.00 0.00 O ATOM 1548 CB VAL A 99 0.654 18.560 -14.443 1.00 0.00 C ATOM 1549 CG1 VAL A 99 -0.122 17.351 -15.019 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.012 19.053 -13.125 1.00 0.00 C ATOM 0 H VAL A 99 2.843 16.618 -15.383 1.00 0.00 H new ATOM 0 HA VAL A 99 2.675 19.239 -14.109 1.00 0.00 H new ATOM 0 HB VAL A 99 0.579 19.363 -15.176 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.176 17.609 -15.118 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.282 17.093 -15.998 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.019 16.499 -14.347 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.049 19.243 -13.286 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.132 18.291 -12.355 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.501 19.973 -12.804 1.00 0.00 H new ATOM 1560 N PRO A 100 3.629 17.641 -12.280 1.00 0.00 N ATOM 1561 CA PRO A 100 4.012 16.833 -11.088 1.00 0.00 C ATOM 1562 C PRO A 100 3.158 17.125 -9.837 1.00 0.00 C ATOM 1563 O PRO A 100 3.209 16.366 -8.865 1.00 0.00 O ATOM 1564 CB PRO A 100 5.504 17.216 -10.874 1.00 0.00 C ATOM 1565 CG PRO A 100 5.624 18.609 -11.418 1.00 0.00 C ATOM 1566 CD PRO A 100 4.631 18.712 -12.561 1.00 0.00 C ATOM 0 HA PRO A 100 3.850 15.767 -11.250 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.774 17.179 -9.819 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.168 16.528 -11.398 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.405 19.347 -10.646 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.638 18.803 -11.767 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.163 19.696 -12.593 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.117 18.559 -13.525 1.00 0.00 H new ATOM 1574 N TYR A 101 2.378 18.228 -9.868 1.00 0.00 N ATOM 1575 CA TYR A 101 1.518 18.631 -8.727 1.00 0.00 C ATOM 1576 C TYR A 101 0.111 18.038 -8.815 1.00 0.00 C ATOM 1577 O TYR A 101 -0.745 18.383 -7.999 1.00 0.00 O ATOM 1578 CB TYR A 101 1.458 20.180 -8.567 1.00 0.00 C ATOM 1579 CG TYR A 101 1.076 21.001 -9.811 1.00 0.00 C ATOM 1580 CD1 TYR A 101 2.049 21.446 -10.717 1.00 0.00 C ATOM 1581 CD2 TYR A 101 -0.252 21.372 -10.059 1.00 0.00 C ATOM 1582 CE1 TYR A 101 1.712 22.212 -11.815 1.00 0.00 C ATOM 1583 CE2 TYR A 101 -0.589 22.143 -11.155 1.00 0.00 C ATOM 1584 CZ TYR A 101 0.393 22.558 -12.028 1.00 0.00 C ATOM 1585 OH TYR A 101 0.057 23.333 -13.116 1.00 0.00 O ATOM 0 H TYR A 101 2.324 18.857 -10.669 1.00 0.00 H new ATOM 0 HA TYR A 101 1.986 18.218 -7.834 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.743 20.411 -7.777 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.434 20.522 -8.223 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.084 21.184 -10.553 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -1.028 21.049 -9.380 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.477 22.539 -12.504 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -1.619 22.419 -11.327 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.150 24.243 -12.818 1.00 0.00 H new ATOM 1595 N THR A 102 -0.135 17.130 -9.776 1.00 0.00 N ATOM 1596 CA THR A 102 -1.452 16.502 -9.913 1.00 0.00 C ATOM 1597 C THR A 102 -1.598 15.302 -8.924 1.00 0.00 C ATOM 1598 O THR A 102 -0.744 14.399 -8.893 1.00 0.00 O ATOM 1599 CB THR A 102 -1.747 16.054 -11.386 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.120 15.628 -11.495 1.00 0.00 O ATOM 1601 CG2 THR A 102 -0.817 14.924 -11.877 1.00 0.00 C ATOM 0 H THR A 102 0.555 16.820 -10.460 1.00 0.00 H new ATOM 0 HA THR A 102 -2.196 17.256 -9.656 1.00 0.00 H new ATOM 0 HB THR A 102 -1.559 16.919 -12.022 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.150 14.666 -11.680 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.074 14.661 -12.903 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.218 15.262 -11.838 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.938 14.050 -11.237 1.00 0.00 H new ATOM 1609 N PRO A 103 -2.646 15.310 -8.044 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.040 14.116 -7.261 1.00 0.00 C ATOM 1611 C PRO A 103 -3.976 13.180 -8.075 1.00 0.00 C ATOM 1612 O PRO A 103 -4.414 12.128 -7.579 1.00 0.00 O ATOM 1613 CB PRO A 103 -3.758 14.749 -6.038 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.385 16.008 -6.572 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.489 16.496 -7.701 1.00 0.00 C ATOM 0 HA PRO A 103 -2.203 13.475 -6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.510 14.075 -5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.054 14.967 -5.235 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.394 15.814 -6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.467 16.762 -5.789 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.075 16.829 -8.558 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.877 17.341 -7.386 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.266 13.579 -9.335 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.246 12.907 -10.205 1.00 0.00 C ATOM 1625 C PHE A 104 -4.558 12.340 -11.456 1.00 0.00 C ATOM 1626 O PHE A 104 -3.645 12.951 -12.015 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.363 13.904 -10.627 1.00 0.00 C ATOM 1628 CG PHE A 104 -6.998 14.674 -9.461 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -7.382 14.017 -8.288 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.192 16.050 -9.532 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -7.936 14.714 -7.232 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -7.751 16.749 -8.476 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.122 16.080 -7.325 1.00 0.00 C ATOM 0 H PHE A 104 -3.820 14.384 -9.776 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.692 12.085 -9.646 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.946 14.620 -11.335 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.144 13.355 -11.152 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.243 12.949 -8.206 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.902 16.582 -10.426 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.224 14.191 -6.332 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -7.897 17.816 -8.552 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.557 16.624 -6.499 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.003 11.154 -11.878 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.533 10.513 -13.123 1.00 0.00 C ATOM 1645 C CYS A 105 -5.269 11.140 -14.321 1.00 0.00 C ATOM 1646 O CYS A 105 -6.208 11.908 -14.118 1.00 0.00 O ATOM 1647 CB CYS A 105 -4.805 9.003 -13.052 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.574 8.580 -13.153 1.00 0.00 S ATOM 0 H CYS A 105 -5.699 10.606 -11.372 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.461 10.669 -13.245 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.274 8.507 -13.864 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.398 8.612 -12.120 1.00 0.00 H new ATOM 0 HG CYS A 105 -6.890 7.795 -12.166 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.872 10.774 -15.552 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.378 11.418 -16.786 1.00 0.00 C ATOM 1655 C GLN A 106 -6.914 11.272 -16.965 1.00 0.00 C ATOM 1656 O GLN A 106 -7.556 12.197 -17.457 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.605 10.873 -18.018 1.00 0.00 C ATOM 1658 CG GLN A 106 -5.033 11.446 -19.391 1.00 0.00 C ATOM 1659 CD GLN A 106 -4.774 12.956 -19.594 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -4.780 13.762 -18.660 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -4.570 13.355 -20.839 1.00 0.00 N ATOM 0 H GLN A 106 -4.196 10.029 -15.724 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.196 12.489 -16.694 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.544 11.076 -17.876 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.721 9.790 -18.046 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.508 10.897 -20.173 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.098 11.257 -19.528 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.568 12.675 -21.599 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.414 14.343 -21.039 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.492 10.125 -16.545 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.960 9.891 -16.637 1.00 0.00 C ATOM 1672 C GLU A 107 -9.753 10.734 -15.606 1.00 0.00 C ATOM 1673 O GLU A 107 -10.863 11.178 -15.899 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.294 8.366 -16.565 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.628 7.556 -15.422 1.00 0.00 C ATOM 1676 CD GLU A 107 -9.516 7.333 -14.181 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -10.358 6.408 -14.202 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -9.366 8.065 -13.178 1.00 0.00 O ATOM 0 H GLU A 107 -6.972 9.347 -16.140 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.290 10.239 -17.616 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.375 8.259 -16.472 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.010 7.911 -17.514 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.325 6.585 -15.813 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.719 8.072 -15.112 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.154 10.986 -14.420 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.746 11.896 -13.405 1.00 0.00 C ATOM 1687 C CYS A 108 -9.603 13.370 -13.841 1.00 0.00 C ATOM 1688 O CYS A 108 -10.516 14.164 -13.639 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.112 11.679 -12.016 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.513 10.093 -11.254 1.00 0.00 S ATOM 0 H CYS A 108 -8.264 10.575 -14.140 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.807 11.659 -13.329 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.029 11.761 -12.107 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.437 12.480 -11.352 1.00 0.00 H new ATOM 0 HG CYS A 108 -9.204 9.129 -12.070 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.441 13.703 -14.446 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.155 15.038 -15.017 1.00 0.00 C ATOM 1697 C ALA A 109 -9.088 15.347 -16.209 1.00 0.00 C ATOM 1698 O ALA A 109 -9.464 16.500 -16.434 1.00 0.00 O ATOM 1699 CB ALA A 109 -6.675 15.126 -15.436 1.00 0.00 C ATOM 0 H ALA A 109 -7.668 13.046 -14.553 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.345 15.789 -14.251 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.474 16.112 -15.855 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.040 14.965 -14.565 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.463 14.363 -16.185 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.460 14.290 -16.951 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.437 14.366 -18.053 1.00 0.00 C ATOM 1707 C ALA A 110 -11.858 14.587 -17.506 1.00 0.00 C ATOM 1708 O ALA A 110 -12.687 15.247 -18.139 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.385 13.087 -18.899 1.00 0.00 C ATOM 0 H ALA A 110 -9.089 13.352 -16.803 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.177 15.215 -18.685 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.111 13.157 -19.709 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.386 12.968 -19.317 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.621 12.227 -18.273 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.116 14.005 -16.319 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.397 14.136 -15.607 1.00 0.00 C ATOM 1717 C ALA A 111 -13.503 15.484 -14.856 1.00 0.00 C ATOM 1718 O ALA A 111 -14.579 15.823 -14.353 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.581 12.945 -14.652 1.00 0.00 C ATOM 0 H ALA A 111 -11.435 13.427 -15.826 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.202 14.127 -16.342 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.530 13.044 -14.126 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.578 12.017 -15.223 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.765 12.929 -13.929 1.00 0.00 H new