USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 596 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 47 CYS SG : rot 180:sc= -0.553 USER MOD Set 1.2: A 48 CYS SG : rot -2:sc= -6.43! USER MOD Set 2.1: A 31 TYR OH : rot 129:sc= 0.00121 USER MOD Set 2.2: A 45 GLN : amide:sc= -3.57! C(o=-3.6!,f=-4.3!) USER MOD Set 3.1: A 28 MET CE :methyl -135:sc= -0.571 (180deg=-1.03) USER MOD Set 3.2: A 33 SER OG : rot 180:sc= -0.521 USER MOD Single : A 9 THR OG1 : rot -28:sc= 0.735 USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= 0.024 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc=-0.00147 X(o=-0.0015,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00262 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= 1.02 (180deg=0.714) USER MOD Single : A 44 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.4) USER MOD Single : A 51 TYR OH : rot -130:sc= -1.51 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -146:sc= -0.972 USER MOD Single : A 65 THR OG1 : rot -61:sc= -2.91! USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 9 12.479 -5.512 0.460 1.00 0.00 N ATOM 74 CA THR A 9 11.637 -4.341 0.287 1.00 0.00 C ATOM 75 C THR A 9 10.336 -4.721 -0.423 1.00 0.00 C ATOM 76 O THR A 9 10.191 -5.844 -0.903 1.00 0.00 O ATOM 77 CB THR A 9 12.449 -3.281 -0.460 1.00 0.00 C ATOM 78 OG1 THR A 9 13.163 -4.021 -1.446 1.00 0.00 O ATOM 79 CG2 THR A 9 13.546 -2.663 0.409 1.00 0.00 C ATOM 0 HA THR A 9 11.337 -3.924 1.248 1.00 0.00 H new ATOM 0 HB THR A 9 11.781 -2.496 -0.814 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.317 -4.933 -1.122 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.092 -1.918 -0.169 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.095 -2.188 1.280 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.234 -3.443 0.736 1.00 0.00 H new ATOM 87 N VAL A 10 9.421 -3.763 -0.466 1.00 0.00 N ATOM 88 CA VAL A 10 8.137 -3.983 -1.109 1.00 0.00 C ATOM 89 C VAL A 10 7.745 -2.732 -1.898 1.00 0.00 C ATOM 90 O VAL A 10 8.041 -1.613 -1.482 1.00 0.00 O ATOM 91 CB VAL A 10 7.091 -4.383 -0.065 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.674 -4.194 -0.610 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.311 -5.821 0.407 1.00 0.00 C ATOM 0 H VAL A 10 9.544 -2.833 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 10 8.202 -4.808 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 10 7.208 -3.727 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.950 -4.485 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.522 -3.147 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.539 -4.815 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.555 -6.080 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.233 -6.499 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.302 -5.910 0.853 1.00 0.00 H new ATOM 103 N LYS A 11 7.086 -2.964 -3.024 1.00 0.00 N ATOM 104 CA LYS A 11 6.651 -1.870 -3.875 1.00 0.00 C ATOM 105 C LYS A 11 5.224 -1.470 -3.495 1.00 0.00 C ATOM 106 O LYS A 11 4.351 -2.325 -3.359 1.00 0.00 O ATOM 107 CB LYS A 11 6.813 -2.242 -5.351 1.00 0.00 C ATOM 108 CG LYS A 11 8.274 -2.552 -5.681 1.00 0.00 C ATOM 109 CD LYS A 11 8.393 -3.855 -6.474 1.00 0.00 C ATOM 110 CE LYS A 11 9.044 -4.953 -5.631 1.00 0.00 C ATOM 111 NZ LYS A 11 8.436 -6.268 -5.934 1.00 0.00 N ATOM 0 H LYS A 11 6.843 -3.894 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 11 7.280 -0.994 -3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.193 -3.108 -5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.461 -1.422 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.702 -1.732 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.850 -2.629 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.404 -4.179 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.984 -3.684 -7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.115 -4.986 -5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.924 -4.726 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.625 -6.927 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.409 -6.157 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.846 -6.646 -6.812 1.00 0.00 H new ATOM 125 N VAL A 12 5.032 -0.169 -3.335 1.00 0.00 N ATOM 126 CA VAL A 12 3.726 0.356 -2.973 1.00 0.00 C ATOM 127 C VAL A 12 3.253 1.327 -4.057 1.00 0.00 C ATOM 128 O VAL A 12 3.859 2.377 -4.261 1.00 0.00 O ATOM 129 CB VAL A 12 3.785 0.993 -1.583 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.434 1.601 -1.202 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.246 -0.020 -0.534 1.00 0.00 C ATOM 0 H VAL A 12 5.759 0.537 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 12 2.993 -0.449 -2.916 1.00 0.00 H new ATOM 0 HB VAL A 12 4.519 1.799 -1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.503 2.047 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.163 2.368 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.672 0.821 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.279 0.459 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.548 -0.857 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.240 -0.385 -0.793 1.00 0.00 H new ATOM 141 N TYR A 13 2.174 0.941 -4.722 1.00 0.00 N ATOM 142 CA TYR A 13 1.613 1.764 -5.780 1.00 0.00 C ATOM 143 C TYR A 13 0.737 2.878 -5.201 1.00 0.00 C ATOM 144 O TYR A 13 -0.264 2.605 -4.541 1.00 0.00 O ATOM 145 CB TYR A 13 0.741 0.831 -6.622 1.00 0.00 C ATOM 146 CG TYR A 13 1.531 -0.211 -7.416 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.490 0.193 -8.322 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.284 -1.555 -7.226 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.234 -0.788 -9.069 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.028 -2.537 -7.973 1.00 0.00 C ATOM 151 CZ TYR A 13 2.966 -2.104 -8.857 1.00 0.00 C ATOM 152 OH TYR A 13 3.669 -3.031 -9.563 1.00 0.00 O ATOM 0 H TYR A 13 1.673 0.069 -4.549 1.00 0.00 H new ATOM 0 HA TYR A 13 2.405 2.234 -6.362 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.038 0.317 -5.966 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.150 1.430 -7.315 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.683 1.245 -8.471 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.533 -1.871 -6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.987 -0.485 -9.781 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.845 -3.592 -7.834 1.00 0.00 H new ATOM 0 HH TYR A 13 3.373 -3.930 -9.308 1.00 0.00 H new ATOM 162 N LEU A 14 1.146 4.109 -5.471 1.00 0.00 N ATOM 163 CA LEU A 14 0.411 5.264 -4.985 1.00 0.00 C ATOM 164 C LEU A 14 -0.670 5.639 -6.000 1.00 0.00 C ATOM 165 O LEU A 14 -0.605 5.234 -7.160 1.00 0.00 O ATOM 166 CB LEU A 14 1.371 6.410 -4.658 1.00 0.00 C ATOM 167 CG LEU A 14 1.983 6.393 -3.256 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.256 7.240 -3.203 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.961 6.829 -2.205 1.00 0.00 C ATOM 0 H LEU A 14 1.977 4.331 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.097 5.027 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.181 6.398 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.839 7.352 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 14 2.268 5.367 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.671 7.211 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.987 6.843 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.019 8.270 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.423 6.808 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.622 7.841 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.109 6.149 -2.222 1.00 0.00 H new ATOM 181 N PRO A 15 -1.666 6.428 -5.515 1.00 0.00 N ATOM 182 CA PRO A 15 -2.760 6.862 -6.367 1.00 0.00 C ATOM 183 C PRO A 15 -2.305 7.965 -7.325 1.00 0.00 C ATOM 184 O PRO A 15 -2.888 9.048 -7.351 1.00 0.00 O ATOM 185 CB PRO A 15 -3.848 7.319 -5.408 1.00 0.00 C ATOM 186 CG PRO A 15 -3.155 7.561 -4.077 1.00 0.00 C ATOM 187 CD PRO A 15 -1.775 6.927 -4.147 1.00 0.00 C ATOM 0 HA PRO A 15 -3.128 6.068 -7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.330 8.228 -5.768 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.627 6.562 -5.311 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.074 8.630 -3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.733 7.127 -3.261 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.993 7.654 -3.927 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.673 6.120 -3.422 1.00 0.00 H new ATOM 195 N ASN A 16 -1.269 7.651 -8.088 1.00 0.00 N ATOM 196 CA ASN A 16 -0.729 8.603 -9.045 1.00 0.00 C ATOM 197 C ASN A 16 0.103 7.854 -10.088 1.00 0.00 C ATOM 198 O ASN A 16 1.063 8.399 -10.629 1.00 0.00 O ATOM 199 CB ASN A 16 0.182 9.620 -8.356 1.00 0.00 C ATOM 200 CG ASN A 16 -0.249 11.051 -8.682 1.00 0.00 C ATOM 201 OD1 ASN A 16 -1.123 11.623 -8.053 1.00 0.00 O ATOM 202 ND2 ASN A 16 0.412 11.596 -9.700 1.00 0.00 N ATOM 0 H ASN A 16 -0.789 6.751 -8.064 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.565 9.125 -9.510 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.156 9.465 -7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.213 9.465 -8.675 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.198 12.548 -9.996 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.133 11.062 -10.184 1.00 0.00 H new ATOM 209 N LYS A 17 -0.297 6.616 -10.339 1.00 0.00 N ATOM 210 CA LYS A 17 0.399 5.786 -11.308 1.00 0.00 C ATOM 211 C LYS A 17 1.872 5.671 -10.909 1.00 0.00 C ATOM 212 O LYS A 17 2.712 5.297 -11.726 1.00 0.00 O ATOM 213 CB LYS A 17 0.186 6.324 -12.724 1.00 0.00 C ATOM 214 CG LYS A 17 -1.237 6.042 -13.210 1.00 0.00 C ATOM 215 CD LYS A 17 -1.368 6.311 -14.710 1.00 0.00 C ATOM 216 CE LYS A 17 -1.326 7.812 -15.004 1.00 0.00 C ATOM 217 NZ LYS A 17 -0.261 8.119 -15.984 1.00 0.00 N ATOM 0 H LYS A 17 -1.094 6.167 -9.888 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.011 4.776 -11.310 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.374 7.398 -12.741 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.904 5.864 -13.403 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.498 5.005 -12.999 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.943 6.666 -12.662 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.561 5.809 -15.245 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.304 5.891 -15.078 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.291 8.140 -15.392 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.149 8.364 -14.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.247 9.142 -16.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.660 7.825 -15.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.446 7.607 -16.870 1.00 0.00 H new ATOM 231 N GLN A 18 2.139 5.998 -9.653 1.00 0.00 N ATOM 232 CA GLN A 18 3.496 5.936 -9.136 1.00 0.00 C ATOM 233 C GLN A 18 3.622 4.804 -8.114 1.00 0.00 C ATOM 234 O GLN A 18 2.622 4.216 -7.706 1.00 0.00 O ATOM 235 CB GLN A 18 3.912 7.275 -8.526 1.00 0.00 C ATOM 236 CG GLN A 18 4.185 8.314 -9.616 1.00 0.00 C ATOM 237 CD GLN A 18 5.667 8.691 -9.655 1.00 0.00 C ATOM 238 OE1 GLN A 18 6.396 8.355 -10.573 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.071 9.406 -8.608 1.00 0.00 N ATOM 0 H GLN A 18 1.439 6.307 -8.978 1.00 0.00 H new ATOM 0 HA GLN A 18 4.172 5.728 -9.966 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.126 7.636 -7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.805 7.139 -7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.881 7.918 -10.585 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.584 9.205 -9.433 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.408 9.654 -7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.043 9.706 -8.540 1.00 0.00 H new ATOM 248 N ARG A 19 4.861 4.533 -7.729 1.00 0.00 N ATOM 249 CA ARG A 19 5.131 3.483 -6.762 1.00 0.00 C ATOM 250 C ARG A 19 6.323 3.865 -5.883 1.00 0.00 C ATOM 251 O ARG A 19 7.180 4.644 -6.297 1.00 0.00 O ATOM 252 CB ARG A 19 5.427 2.154 -7.461 1.00 0.00 C ATOM 253 CG ARG A 19 6.621 2.287 -8.409 1.00 0.00 C ATOM 254 CD ARG A 19 6.177 2.798 -9.781 1.00 0.00 C ATOM 255 NE ARG A 19 7.019 3.945 -10.190 1.00 0.00 N ATOM 256 CZ ARG A 19 7.197 4.330 -11.461 1.00 0.00 C ATOM 257 NH1 ARG A 19 6.594 3.663 -12.455 1.00 0.00 N ATOM 258 NH2 ARG A 19 7.979 5.382 -11.739 1.00 0.00 N ATOM 0 H ARG A 19 5.689 5.023 -8.069 1.00 0.00 H new ATOM 0 HA ARG A 19 4.242 3.365 -6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.633 1.385 -6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.549 1.829 -8.019 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.355 2.971 -7.982 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.112 1.320 -8.519 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.253 1.999 -10.518 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.130 3.099 -9.745 1.00 0.00 H new ATOM 0 HE ARG A 19 7.493 4.475 -9.459 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.999 2.862 -12.244 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.730 3.957 -13.422 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.439 5.890 -10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.115 5.675 -12.707 1.00 0.00 H new ATOM 272 N THR A 20 6.340 3.299 -4.685 1.00 0.00 N ATOM 273 CA THR A 20 7.413 3.571 -3.744 1.00 0.00 C ATOM 274 C THR A 20 7.846 2.282 -3.042 1.00 0.00 C ATOM 275 O THR A 20 7.007 1.503 -2.593 1.00 0.00 O ATOM 276 CB THR A 20 6.931 4.655 -2.778 1.00 0.00 C ATOM 277 OG1 THR A 20 8.131 5.166 -2.204 1.00 0.00 O ATOM 278 CG2 THR A 20 6.163 4.080 -1.587 1.00 0.00 C ATOM 0 H THR A 20 5.628 2.653 -4.345 1.00 0.00 H new ATOM 0 HA THR A 20 8.302 3.941 -4.254 1.00 0.00 H new ATOM 0 HB THR A 20 6.295 5.360 -3.313 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.912 5.876 -1.565 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.844 4.892 -0.933 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.288 3.538 -1.946 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.809 3.400 -1.032 1.00 0.00 H new ATOM 286 N VAL A 21 9.156 2.097 -2.970 1.00 0.00 N ATOM 287 CA VAL A 21 9.711 0.915 -2.331 1.00 0.00 C ATOM 288 C VAL A 21 9.886 1.185 -0.835 1.00 0.00 C ATOM 289 O VAL A 21 10.420 2.223 -0.447 1.00 0.00 O ATOM 290 CB VAL A 21 11.014 0.510 -3.022 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.398 -0.928 -2.668 1.00 0.00 C ATOM 292 CG2 VAL A 21 10.910 0.692 -4.538 1.00 0.00 C ATOM 0 H VAL A 21 9.849 2.745 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 21 9.030 0.070 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 21 11.804 1.167 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.328 -1.191 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.533 -1.014 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.607 -1.605 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.850 0.397 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.102 0.071 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.704 1.738 -4.766 1.00 0.00 H new ATOM 302 N VAL A 22 9.427 0.233 -0.037 1.00 0.00 N ATOM 303 CA VAL A 22 9.527 0.355 1.408 1.00 0.00 C ATOM 304 C VAL A 22 10.231 -0.881 1.972 1.00 0.00 C ATOM 305 O VAL A 22 10.154 -1.963 1.392 1.00 0.00 O ATOM 306 CB VAL A 22 8.139 0.579 2.011 1.00 0.00 C ATOM 307 CG1 VAL A 22 8.242 1.090 3.449 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.314 1.535 1.147 1.00 0.00 C ATOM 0 H VAL A 22 8.985 -0.626 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 22 10.128 1.223 1.678 1.00 0.00 H new ATOM 0 HB VAL A 22 7.624 -0.382 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.241 1.241 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.773 0.359 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.785 2.035 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.332 1.677 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.824 2.496 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.197 1.114 0.148 1.00 0.00 H new ATOM 318 N THR A 23 10.902 -0.678 3.096 1.00 0.00 N ATOM 319 CA THR A 23 11.620 -1.762 3.745 1.00 0.00 C ATOM 320 C THR A 23 10.658 -2.621 4.569 1.00 0.00 C ATOM 321 O THR A 23 9.720 -2.103 5.173 1.00 0.00 O ATOM 322 CB THR A 23 12.751 -1.150 4.575 1.00 0.00 C ATOM 323 OG1 THR A 23 13.512 -0.405 3.628 1.00 0.00 O ATOM 324 CG2 THR A 23 13.731 -2.204 5.095 1.00 0.00 C ATOM 0 H THR A 23 10.964 0.221 3.574 1.00 0.00 H new ATOM 0 HA THR A 23 12.063 -2.437 3.013 1.00 0.00 H new ATOM 0 HB THR A 23 12.328 -0.601 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.266 0.027 4.081 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.514 -1.717 5.677 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.199 -2.916 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.180 -2.731 4.253 1.00 0.00 H new ATOM 332 N VAL A 24 10.924 -3.918 4.567 1.00 0.00 N ATOM 333 CA VAL A 24 10.094 -4.854 5.306 1.00 0.00 C ATOM 334 C VAL A 24 10.609 -4.960 6.743 1.00 0.00 C ATOM 335 O VAL A 24 11.680 -5.516 6.983 1.00 0.00 O ATOM 336 CB VAL A 24 10.054 -6.202 4.584 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.730 -6.924 4.845 1.00 0.00 C ATOM 338 CG2 VAL A 24 10.297 -6.028 3.084 1.00 0.00 C ATOM 0 H VAL A 24 11.703 -4.344 4.065 1.00 0.00 H new ATOM 0 HA VAL A 24 9.065 -4.497 5.354 1.00 0.00 H new ATOM 0 HB VAL A 24 10.858 -6.820 4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.727 -7.880 4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.615 -7.097 5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.904 -6.310 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.263 -7.001 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.526 -5.383 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.275 -5.575 2.924 1.00 0.00 H new ATOM 348 N ARG A 25 9.822 -4.419 7.661 1.00 0.00 N ATOM 349 CA ARG A 25 10.185 -4.447 9.068 1.00 0.00 C ATOM 350 C ARG A 25 9.234 -5.360 9.844 1.00 0.00 C ATOM 351 O ARG A 25 8.016 -5.220 9.747 1.00 0.00 O ATOM 352 CB ARG A 25 10.142 -3.043 9.675 1.00 0.00 C ATOM 353 CG ARG A 25 10.739 -2.012 8.716 1.00 0.00 C ATOM 354 CD ARG A 25 11.266 -0.795 9.478 1.00 0.00 C ATOM 355 NE ARG A 25 12.657 -0.502 9.064 1.00 0.00 N ATOM 356 CZ ARG A 25 13.705 -1.289 9.340 1.00 0.00 C ATOM 357 NH1 ARG A 25 13.527 -2.423 10.033 1.00 0.00 N ATOM 358 NH2 ARG A 25 14.931 -0.944 8.924 1.00 0.00 N ATOM 0 H ARG A 25 8.935 -3.959 7.458 1.00 0.00 H new ATOM 0 HA ARG A 25 11.202 -4.831 9.141 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.111 -2.775 9.907 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.694 -3.032 10.615 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.549 -2.467 8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.982 -1.696 7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.630 0.069 9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.229 -0.983 10.551 1.00 0.00 H new ATOM 0 HE ARG A 25 12.828 0.353 8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.594 -2.686 10.350 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.325 -3.023 10.243 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.067 -0.081 8.397 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.729 -1.544 9.135 1.00 0.00 H new ATOM 372 N ASP A 26 9.826 -6.276 10.596 1.00 0.00 N ATOM 373 CA ASP A 26 9.047 -7.212 11.388 1.00 0.00 C ATOM 374 C ASP A 26 8.715 -6.577 12.740 1.00 0.00 C ATOM 375 O ASP A 26 9.292 -6.946 13.762 1.00 0.00 O ATOM 376 CB ASP A 26 9.833 -8.499 11.651 1.00 0.00 C ATOM 377 CG ASP A 26 8.984 -9.699 12.075 1.00 0.00 C ATOM 378 OD1 ASP A 26 8.513 -9.681 13.233 1.00 0.00 O ATOM 379 OD2 ASP A 26 8.826 -10.609 11.232 1.00 0.00 O ATOM 0 H ASP A 26 10.837 -6.390 10.674 1.00 0.00 H new ATOM 0 HA ASP A 26 8.140 -7.450 10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.382 -8.763 10.747 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.572 -8.303 12.428 1.00 0.00 H new ATOM 384 N GLY A 27 7.787 -5.633 12.702 1.00 0.00 N ATOM 385 CA GLY A 27 7.371 -4.943 13.911 1.00 0.00 C ATOM 386 C GLY A 27 6.285 -3.909 13.607 1.00 0.00 C ATOM 387 O GLY A 27 5.140 -4.064 14.029 1.00 0.00 O ATOM 0 H GLY A 27 7.311 -5.329 11.853 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.997 -5.666 14.636 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.230 -4.450 14.366 1.00 0.00 H new ATOM 391 N MET A 28 6.682 -2.878 12.877 1.00 0.00 N ATOM 392 CA MET A 28 5.757 -1.819 12.511 1.00 0.00 C ATOM 393 C MET A 28 4.521 -2.388 11.812 1.00 0.00 C ATOM 394 O MET A 28 4.491 -3.565 11.458 1.00 0.00 O ATOM 395 CB MET A 28 6.459 -0.827 11.580 1.00 0.00 C ATOM 396 CG MET A 28 6.597 -1.402 10.170 1.00 0.00 C ATOM 397 SD MET A 28 7.931 -0.589 9.307 1.00 0.00 S ATOM 398 CE MET A 28 7.180 1.001 9.002 1.00 0.00 C ATOM 0 H MET A 28 7.632 -2.753 12.529 1.00 0.00 H new ATOM 0 HA MET A 28 5.436 -1.312 13.421 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.894 0.105 11.543 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.445 -0.586 11.977 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.787 -2.474 10.223 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.664 -1.270 9.622 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.372 1.302 7.972 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.105 0.933 9.166 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.604 1.740 9.681 1.00 0.00 H new ATOM 408 N SER A 29 3.531 -1.525 11.635 1.00 0.00 N ATOM 409 CA SER A 29 2.295 -1.927 10.985 1.00 0.00 C ATOM 410 C SER A 29 2.192 -1.272 9.606 1.00 0.00 C ATOM 411 O SER A 29 3.044 -0.467 9.232 1.00 0.00 O ATOM 412 CB SER A 29 1.080 -1.561 11.839 1.00 0.00 C ATOM 413 OG SER A 29 1.298 -0.375 12.598 1.00 0.00 O ATOM 0 H SER A 29 3.560 -0.549 11.930 1.00 0.00 H new ATOM 0 HA SER A 29 2.308 -3.010 10.865 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.212 -1.424 11.194 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.849 -2.386 12.513 1.00 0.00 H new ATOM 0 HG SER A 29 0.499 -0.174 13.128 1.00 0.00 H new ATOM 419 N VAL A 30 1.141 -1.640 8.888 1.00 0.00 N ATOM 420 CA VAL A 30 0.916 -1.099 7.559 1.00 0.00 C ATOM 421 C VAL A 30 0.688 0.411 7.660 1.00 0.00 C ATOM 422 O VAL A 30 1.196 1.175 6.841 1.00 0.00 O ATOM 423 CB VAL A 30 -0.244 -1.834 6.884 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.645 -1.144 5.579 1.00 0.00 C ATOM 425 CG2 VAL A 30 0.106 -3.304 6.643 1.00 0.00 C ATOM 0 H VAL A 30 0.436 -2.307 9.202 1.00 0.00 H new ATOM 0 HA VAL A 30 1.792 -1.255 6.930 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.101 -1.799 7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.471 -1.686 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.955 -0.120 5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.205 -1.133 4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.735 -3.804 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.983 -3.368 5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.320 -3.788 7.596 1.00 0.00 H new ATOM 435 N TYR A 31 -0.076 0.795 8.672 1.00 0.00 N ATOM 436 CA TYR A 31 -0.377 2.200 8.891 1.00 0.00 C ATOM 437 C TYR A 31 0.903 3.005 9.126 1.00 0.00 C ATOM 438 O TYR A 31 1.156 3.992 8.437 1.00 0.00 O ATOM 439 CB TYR A 31 -1.239 2.255 10.154 1.00 0.00 C ATOM 440 CG TYR A 31 -1.494 3.671 10.672 1.00 0.00 C ATOM 441 CD1 TYR A 31 -0.510 4.337 11.375 1.00 0.00 C ATOM 442 CD2 TYR A 31 -2.708 4.284 10.437 1.00 0.00 C ATOM 443 CE1 TYR A 31 -0.750 5.670 11.863 1.00 0.00 C ATOM 444 CE2 TYR A 31 -2.948 5.618 10.925 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.957 6.245 11.614 1.00 0.00 C ATOM 446 OH TYR A 31 -2.184 7.504 12.075 1.00 0.00 O ATOM 0 H TYR A 31 -0.496 0.158 9.349 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.881 2.624 8.022 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.197 1.776 9.949 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.754 1.674 10.938 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.440 3.858 11.559 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.478 3.764 9.887 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.011 6.201 12.414 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.893 6.109 10.748 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.514 8.066 11.343 1.00 0.00 H new ATOM 456 N ASP A 32 1.677 2.554 10.103 1.00 0.00 N ATOM 457 CA ASP A 32 2.924 3.219 10.438 1.00 0.00 C ATOM 458 C ASP A 32 3.858 3.182 9.227 1.00 0.00 C ATOM 459 O ASP A 32 4.814 3.952 9.152 1.00 0.00 O ATOM 460 CB ASP A 32 3.628 2.517 11.600 1.00 0.00 C ATOM 461 CG ASP A 32 3.435 3.176 12.967 1.00 0.00 C ATOM 462 OD1 ASP A 32 2.434 2.827 13.629 1.00 0.00 O ATOM 463 OD2 ASP A 32 4.292 4.015 13.319 1.00 0.00 O ATOM 0 H ASP A 32 1.464 1.736 10.673 1.00 0.00 H new ATOM 0 HA ASP A 32 2.693 4.245 10.724 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.269 1.489 11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.695 2.470 11.383 1.00 0.00 H new ATOM 468 N SER A 33 3.549 2.278 8.308 1.00 0.00 N ATOM 469 CA SER A 33 4.349 2.130 7.104 1.00 0.00 C ATOM 470 C SER A 33 3.858 3.101 6.028 1.00 0.00 C ATOM 471 O SER A 33 4.618 3.945 5.555 1.00 0.00 O ATOM 472 CB SER A 33 4.301 0.692 6.584 1.00 0.00 C ATOM 473 OG SER A 33 5.482 -0.034 6.913 1.00 0.00 O ATOM 0 H SER A 33 2.755 1.641 8.373 1.00 0.00 H new ATOM 0 HA SER A 33 5.385 2.364 7.350 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.434 0.183 7.005 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.171 0.702 5.502 1.00 0.00 H new ATOM 0 HG SER A 33 5.412 -0.948 6.565 1.00 0.00 H new ATOM 479 N LEU A 34 2.591 2.948 5.672 1.00 0.00 N ATOM 480 CA LEU A 34 1.991 3.801 4.660 1.00 0.00 C ATOM 481 C LEU A 34 1.730 5.186 5.255 1.00 0.00 C ATOM 482 O LEU A 34 1.259 6.085 4.560 1.00 0.00 O ATOM 483 CB LEU A 34 0.742 3.139 4.074 1.00 0.00 C ATOM 484 CG LEU A 34 0.964 2.260 2.841 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.580 3.067 1.697 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.801 1.028 3.190 1.00 0.00 C ATOM 0 H LEU A 34 1.964 2.247 6.066 1.00 0.00 H new ATOM 0 HA LEU A 34 2.675 3.937 3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.279 2.530 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.028 3.921 3.814 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.006 1.902 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.728 2.419 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.912 3.885 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.541 3.473 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.944 0.420 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.771 1.344 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.285 0.441 3.949 1.00 0.00 H new ATOM 498 N ASP A 35 2.049 5.315 6.534 1.00 0.00 N ATOM 499 CA ASP A 35 1.856 6.575 7.230 1.00 0.00 C ATOM 500 C ASP A 35 2.547 7.695 6.450 1.00 0.00 C ATOM 501 O ASP A 35 1.938 8.725 6.164 1.00 0.00 O ATOM 502 CB ASP A 35 2.467 6.530 8.632 1.00 0.00 C ATOM 503 CG ASP A 35 2.633 7.891 9.310 1.00 0.00 C ATOM 504 OD1 ASP A 35 1.648 8.336 9.938 1.00 0.00 O ATOM 505 OD2 ASP A 35 3.741 8.456 9.185 1.00 0.00 O ATOM 0 H ASP A 35 2.440 4.567 7.107 1.00 0.00 H new ATOM 0 HA ASP A 35 0.784 6.755 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.841 5.900 9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.444 6.050 8.571 1.00 0.00 H new ATOM 510 N LYS A 36 3.810 7.456 6.127 1.00 0.00 N ATOM 511 CA LYS A 36 4.590 8.432 5.385 1.00 0.00 C ATOM 512 C LYS A 36 4.152 8.421 3.920 1.00 0.00 C ATOM 513 O LYS A 36 3.797 9.461 3.367 1.00 0.00 O ATOM 514 CB LYS A 36 6.087 8.182 5.582 1.00 0.00 C ATOM 515 CG LYS A 36 6.906 8.878 4.493 1.00 0.00 C ATOM 516 CD LYS A 36 8.077 9.653 5.101 1.00 0.00 C ATOM 517 CE LYS A 36 7.882 11.162 4.935 1.00 0.00 C ATOM 518 NZ LYS A 36 9.077 11.895 5.410 1.00 0.00 N ATOM 0 H LYS A 36 4.312 6.601 6.366 1.00 0.00 H new ATOM 0 HA LYS A 36 4.405 9.437 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.394 8.546 6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.286 7.111 5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.282 8.138 3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.267 9.559 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.169 9.409 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.007 9.348 4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.697 11.397 3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.004 11.485 5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.928 12.917 5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.237 11.684 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.908 11.599 4.858 1.00 0.00 H new ATOM 532 N ALA A 37 4.191 7.234 3.332 1.00 0.00 N ATOM 533 CA ALA A 37 3.802 7.074 1.941 1.00 0.00 C ATOM 534 C ALA A 37 2.601 7.974 1.645 1.00 0.00 C ATOM 535 O ALA A 37 2.463 8.488 0.536 1.00 0.00 O ATOM 536 CB ALA A 37 3.509 5.599 1.659 1.00 0.00 C ATOM 0 H ALA A 37 4.486 6.374 3.794 1.00 0.00 H new ATOM 0 HA ALA A 37 4.613 7.378 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.217 5.479 0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.402 5.006 1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.698 5.259 2.304 1.00 0.00 H new ATOM 542 N LEU A 38 1.761 8.138 2.657 1.00 0.00 N ATOM 543 CA LEU A 38 0.576 8.967 2.520 1.00 0.00 C ATOM 544 C LEU A 38 0.929 10.416 2.861 1.00 0.00 C ATOM 545 O LEU A 38 0.839 11.298 2.008 1.00 0.00 O ATOM 546 CB LEU A 38 -0.574 8.401 3.356 1.00 0.00 C ATOM 547 CG LEU A 38 -1.132 7.051 2.903 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.449 6.735 3.616 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.278 7.001 1.381 1.00 0.00 C ATOM 0 H LEU A 38 1.878 7.710 3.576 1.00 0.00 H new ATOM 0 HA LEU A 38 0.224 8.959 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.234 8.303 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.388 9.126 3.356 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.420 6.275 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.824 5.770 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.281 6.700 4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.181 7.510 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.677 6.031 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.959 7.787 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.303 7.149 0.917 1.00 0.00 H new ATOM 561 N LYS A 39 1.325 10.617 4.109 1.00 0.00 N ATOM 562 CA LYS A 39 1.693 11.944 4.573 1.00 0.00 C ATOM 563 C LYS A 39 2.551 12.632 3.509 1.00 0.00 C ATOM 564 O LYS A 39 2.245 13.745 3.085 1.00 0.00 O ATOM 565 CB LYS A 39 2.363 11.864 5.946 1.00 0.00 C ATOM 566 CG LYS A 39 1.341 11.537 7.037 1.00 0.00 C ATOM 567 CD LYS A 39 1.478 12.496 8.221 1.00 0.00 C ATOM 568 CE LYS A 39 0.601 12.048 9.393 1.00 0.00 C ATOM 569 NZ LYS A 39 1.331 11.088 10.250 1.00 0.00 N ATOM 0 H LYS A 39 1.399 9.883 4.813 1.00 0.00 H new ATOM 0 HA LYS A 39 0.804 12.559 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.141 11.101 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.851 12.812 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.333 11.601 6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.482 10.511 7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.520 12.542 8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.194 13.502 7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.301 12.915 9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.312 11.587 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.907 11.078 11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.272 10.137 9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.329 11.374 10.320 1.00 0.00 H new ATOM 583 N VAL A 40 3.607 11.940 3.108 1.00 0.00 N ATOM 584 CA VAL A 40 4.511 12.471 2.102 1.00 0.00 C ATOM 585 C VAL A 40 3.698 13.156 1.002 1.00 0.00 C ATOM 586 O VAL A 40 4.059 14.236 0.539 1.00 0.00 O ATOM 587 CB VAL A 40 5.415 11.356 1.570 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.602 10.304 0.814 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.528 11.926 0.689 1.00 0.00 C ATOM 0 H VAL A 40 3.857 11.016 3.461 1.00 0.00 H new ATOM 0 HA VAL A 40 5.167 13.224 2.538 1.00 0.00 H new ATOM 0 HB VAL A 40 5.882 10.867 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.269 9.524 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.863 9.864 1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.094 10.773 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.156 11.113 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.088 12.453 -0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.135 12.619 1.272 1.00 0.00 H new ATOM 599 N ARG A 41 2.614 12.499 0.615 1.00 0.00 N ATOM 600 CA ARG A 41 1.746 13.031 -0.421 1.00 0.00 C ATOM 601 C ARG A 41 0.688 13.950 0.192 1.00 0.00 C ATOM 602 O ARG A 41 0.195 14.863 -0.468 1.00 0.00 O ATOM 603 CB ARG A 41 1.050 11.905 -1.189 1.00 0.00 C ATOM 604 CG ARG A 41 2.069 11.029 -1.920 1.00 0.00 C ATOM 605 CD ARG A 41 1.482 10.473 -3.219 1.00 0.00 C ATOM 606 NE ARG A 41 0.865 11.566 -4.004 1.00 0.00 N ATOM 607 CZ ARG A 41 1.542 12.367 -4.838 1.00 0.00 C ATOM 608 NH1 ARG A 41 2.862 12.202 -5.001 1.00 0.00 N ATOM 609 NH2 ARG A 41 0.900 13.333 -5.509 1.00 0.00 N ATOM 0 H ARG A 41 2.317 11.603 1.001 1.00 0.00 H new ATOM 0 HA ARG A 41 2.367 13.598 -1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.469 11.294 -0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.348 12.329 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.963 11.612 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.376 10.206 -1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.265 9.991 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.737 9.710 -2.994 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.138 11.719 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.351 11.467 -4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.378 12.812 -5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.105 13.459 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.416 13.942 -6.144 1.00 0.00 H new ATOM 623 N GLY A 42 0.370 13.677 1.449 1.00 0.00 N ATOM 624 CA GLY A 42 -0.621 14.468 2.160 1.00 0.00 C ATOM 625 C GLY A 42 -1.943 13.709 2.282 1.00 0.00 C ATOM 626 O GLY A 42 -2.966 14.291 2.642 1.00 0.00 O ATOM 0 H GLY A 42 0.781 12.919 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.248 14.718 3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.785 15.409 1.635 1.00 0.00 H new ATOM 630 N LEU A 43 -1.880 12.422 1.976 1.00 0.00 N ATOM 631 CA LEU A 43 -3.061 11.577 2.047 1.00 0.00 C ATOM 632 C LEU A 43 -3.396 11.300 3.514 1.00 0.00 C ATOM 633 O LEU A 43 -2.621 11.639 4.407 1.00 0.00 O ATOM 634 CB LEU A 43 -2.864 10.310 1.212 1.00 0.00 C ATOM 635 CG LEU A 43 -2.953 10.487 -0.305 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.297 9.313 -1.034 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.402 10.699 -0.749 1.00 0.00 C ATOM 0 H LEU A 43 -1.030 11.943 1.678 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.921 12.087 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.888 9.888 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.611 9.578 1.517 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.398 11.385 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.374 9.464 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.246 9.250 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.802 8.387 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.437 10.822 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.000 9.834 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.803 11.592 -0.269 1.00 0.00 H new ATOM 649 N ASN A 44 -4.553 10.687 3.718 1.00 0.00 N ATOM 650 CA ASN A 44 -5.001 10.361 5.061 1.00 0.00 C ATOM 651 C ASN A 44 -5.234 8.852 5.164 1.00 0.00 C ATOM 652 O ASN A 44 -5.231 8.150 4.154 1.00 0.00 O ATOM 653 CB ASN A 44 -6.318 11.066 5.389 1.00 0.00 C ATOM 654 CG ASN A 44 -6.592 11.045 6.894 1.00 0.00 C ATOM 655 OD1 ASN A 44 -5.695 11.141 7.716 1.00 0.00 O ATOM 656 ND2 ASN A 44 -7.877 10.914 7.209 1.00 0.00 N ATOM 0 H ASN A 44 -5.194 10.408 2.975 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.233 10.689 5.761 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.280 12.097 5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.137 10.579 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.162 10.889 8.188 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.578 10.839 6.472 1.00 0.00 H new ATOM 663 N GLN A 45 -5.432 8.398 6.393 1.00 0.00 N ATOM 664 CA GLN A 45 -5.667 6.986 6.641 1.00 0.00 C ATOM 665 C GLN A 45 -7.164 6.718 6.807 1.00 0.00 C ATOM 666 O GLN A 45 -7.565 5.916 7.649 1.00 0.00 O ATOM 667 CB GLN A 45 -4.885 6.507 7.865 1.00 0.00 C ATOM 668 CG GLN A 45 -3.391 6.401 7.554 1.00 0.00 C ATOM 669 CD GLN A 45 -2.575 7.324 8.461 1.00 0.00 C ATOM 670 OE1 GLN A 45 -3.077 8.278 9.032 1.00 0.00 O ATOM 671 NE2 GLN A 45 -1.292 6.988 8.562 1.00 0.00 N ATOM 0 H GLN A 45 -5.434 8.984 7.228 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.310 6.422 5.779 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.040 7.199 8.693 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.263 5.536 8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.061 5.371 7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.214 6.661 6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.936 6.176 8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.664 7.542 9.145 1.00 0.00 H new ATOM 680 N ASP A 46 -7.950 7.405 5.990 1.00 0.00 N ATOM 681 CA ASP A 46 -9.394 7.251 6.037 1.00 0.00 C ATOM 682 C ASP A 46 -9.955 7.314 4.615 1.00 0.00 C ATOM 683 O ASP A 46 -10.772 6.479 4.228 1.00 0.00 O ATOM 684 CB ASP A 46 -10.042 8.373 6.851 1.00 0.00 C ATOM 685 CG ASP A 46 -11.523 8.165 7.173 1.00 0.00 C ATOM 686 OD1 ASP A 46 -11.928 6.985 7.247 1.00 0.00 O ATOM 687 OD2 ASP A 46 -12.217 9.192 7.338 1.00 0.00 O ATOM 0 H ASP A 46 -7.614 8.069 5.292 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.616 6.292 6.505 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.494 8.486 7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.933 9.309 6.303 1.00 0.00 H new ATOM 692 N CYS A 47 -9.495 8.312 3.875 1.00 0.00 N ATOM 693 CA CYS A 47 -9.941 8.495 2.504 1.00 0.00 C ATOM 694 C CYS A 47 -8.950 7.786 1.578 1.00 0.00 C ATOM 695 O CYS A 47 -8.847 8.123 0.400 1.00 0.00 O ATOM 696 CB CYS A 47 -10.091 9.976 2.151 1.00 0.00 C ATOM 697 SG CYS A 47 -8.554 10.878 2.565 1.00 0.00 S ATOM 0 H CYS A 47 -8.818 9.003 4.199 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.931 8.057 2.380 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.311 10.085 1.089 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.932 10.405 2.696 1.00 0.00 H new ATOM 0 HG CYS A 47 -8.692 12.134 2.259 1.00 0.00 H new ATOM 703 N CYS A 48 -8.248 6.817 2.147 1.00 0.00 N ATOM 704 CA CYS A 48 -7.269 6.058 1.387 1.00 0.00 C ATOM 705 C CYS A 48 -7.345 4.596 1.832 1.00 0.00 C ATOM 706 O CYS A 48 -7.602 4.312 3.001 1.00 0.00 O ATOM 707 CB CYS A 48 -5.860 6.631 1.547 1.00 0.00 C ATOM 708 SG CYS A 48 -5.790 8.323 0.852 1.00 0.00 S ATOM 0 H CYS A 48 -8.337 6.540 3.125 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.498 6.126 0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.584 6.650 2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.138 5.991 1.040 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.943 8.627 0.333 1.00 0.00 H new ATOM 714 N VAL A 49 -7.115 3.707 0.877 1.00 0.00 N ATOM 715 CA VAL A 49 -7.154 2.281 1.157 1.00 0.00 C ATOM 716 C VAL A 49 -5.957 1.602 0.487 1.00 0.00 C ATOM 717 O VAL A 49 -5.407 2.121 -0.482 1.00 0.00 O ATOM 718 CB VAL A 49 -8.497 1.698 0.714 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.815 2.089 -0.731 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.519 0.178 0.888 1.00 0.00 C ATOM 0 H VAL A 49 -6.901 3.946 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.073 2.099 2.229 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.272 2.120 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.775 1.662 -1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.862 3.175 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.035 1.709 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.485 -0.211 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.728 -0.269 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.359 -0.070 1.937 1.00 0.00 H new ATOM 730 N VAL A 50 -5.590 0.452 1.032 1.00 0.00 N ATOM 731 CA VAL A 50 -4.468 -0.303 0.500 1.00 0.00 C ATOM 732 C VAL A 50 -4.951 -1.690 0.071 1.00 0.00 C ATOM 733 O VAL A 50 -5.542 -2.420 0.866 1.00 0.00 O ATOM 734 CB VAL A 50 -3.338 -0.356 1.530 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.126 -1.108 0.975 1.00 0.00 C ATOM 736 CG2 VAL A 50 -2.948 1.050 1.989 1.00 0.00 C ATOM 0 H VAL A 50 -6.049 0.024 1.836 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.061 0.188 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.702 -0.903 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.337 -1.131 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.416 -2.128 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.761 -0.601 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.143 0.984 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.612 1.633 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.811 1.537 2.442 1.00 0.00 H new ATOM 746 N TYR A 51 -4.682 -2.013 -1.185 1.00 0.00 N ATOM 747 CA TYR A 51 -5.081 -3.299 -1.730 1.00 0.00 C ATOM 748 C TYR A 51 -3.880 -4.240 -1.852 1.00 0.00 C ATOM 749 O TYR A 51 -2.804 -3.825 -2.279 1.00 0.00 O ATOM 750 CB TYR A 51 -5.633 -3.012 -3.128 1.00 0.00 C ATOM 751 CG TYR A 51 -6.575 -1.808 -3.190 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.449 -1.561 -2.150 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.550 -0.968 -4.285 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.334 -0.427 -2.209 1.00 0.00 C ATOM 755 CE2 TYR A 51 -7.436 0.165 -4.343 1.00 0.00 C ATOM 756 CZ TYR A 51 -8.284 0.380 -3.302 1.00 0.00 C ATOM 757 OH TYR A 51 -9.121 1.451 -3.357 1.00 0.00 O ATOM 0 H TYR A 51 -4.192 -1.406 -1.842 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.814 -3.779 -1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.799 -2.843 -3.809 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.164 -3.894 -3.486 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.469 -2.218 -1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.866 -1.161 -5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.023 -0.222 -1.403 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.427 0.829 -5.194 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.589 1.457 -4.218 1.00 0.00 H new ATOM 767 N ARG A 52 -4.106 -5.488 -1.471 1.00 0.00 N ATOM 768 CA ARG A 52 -3.056 -6.491 -1.532 1.00 0.00 C ATOM 769 C ARG A 52 -3.157 -7.286 -2.835 1.00 0.00 C ATOM 770 O ARG A 52 -4.256 -7.559 -3.317 1.00 0.00 O ATOM 771 CB ARG A 52 -3.144 -7.454 -0.347 1.00 0.00 C ATOM 772 CG ARG A 52 -3.281 -6.690 0.972 1.00 0.00 C ATOM 773 CD ARG A 52 -2.412 -7.320 2.063 1.00 0.00 C ATOM 774 NE ARG A 52 -2.760 -8.749 2.225 1.00 0.00 N ATOM 775 CZ ARG A 52 -2.071 -9.757 1.673 1.00 0.00 C ATOM 776 NH1 ARG A 52 -0.993 -9.499 0.921 1.00 0.00 N ATOM 777 NH2 ARG A 52 -2.460 -11.024 1.875 1.00 0.00 N ATOM 0 H ARG A 52 -5.001 -5.828 -1.119 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.099 -5.971 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.998 -8.119 -0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.253 -8.082 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.990 -5.650 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.324 -6.688 1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.358 -7.221 1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.558 -6.793 3.006 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.575 -8.981 2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.696 -8.535 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.469 -10.266 0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.280 -11.220 2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.936 -11.792 1.455 1.00 0.00 H new ATOM 791 N LEU A 53 -1.996 -7.635 -3.370 1.00 0.00 N ATOM 792 CA LEU A 53 -1.940 -8.394 -4.608 1.00 0.00 C ATOM 793 C LEU A 53 -1.958 -9.889 -4.286 1.00 0.00 C ATOM 794 O LEU A 53 -0.928 -10.465 -3.936 1.00 0.00 O ATOM 795 CB LEU A 53 -0.737 -7.960 -5.448 1.00 0.00 C ATOM 796 CG LEU A 53 -1.015 -6.908 -6.524 1.00 0.00 C ATOM 797 CD1 LEU A 53 -1.434 -7.568 -7.839 1.00 0.00 C ATOM 798 CD2 LEU A 53 -2.047 -5.888 -6.040 1.00 0.00 C ATOM 0 H LEU A 53 -1.087 -7.406 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.818 -8.189 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.028 -7.571 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.318 -8.843 -5.931 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.091 -6.363 -6.717 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.626 -6.799 -8.587 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.636 -8.223 -8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.340 -8.153 -7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.226 -5.152 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.980 -6.399 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.671 -5.385 -5.149 1.00 0.00 H new ATOM 810 N ILE A 54 -3.138 -10.476 -4.415 1.00 0.00 N ATOM 811 CA ILE A 54 -3.304 -11.893 -4.143 1.00 0.00 C ATOM 812 C ILE A 54 -3.803 -12.597 -5.407 1.00 0.00 C ATOM 813 O ILE A 54 -5.006 -12.649 -5.658 1.00 0.00 O ATOM 814 CB ILE A 54 -4.206 -12.103 -2.925 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.493 -11.688 -1.636 1.00 0.00 C ATOM 816 CG2 ILE A 54 -4.713 -13.546 -2.860 1.00 0.00 C ATOM 817 CD1 ILE A 54 -4.105 -10.409 -1.060 1.00 0.00 C ATOM 0 H ILE A 54 -3.990 -9.995 -4.705 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.347 -12.345 -3.884 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.079 -11.459 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.563 -12.491 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.433 -11.530 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.352 -13.668 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.284 -13.772 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.865 -14.227 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.581 -10.135 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.012 -9.602 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.159 -10.578 -0.838 1.00 0.00 H new ATOM 829 N LYS A 55 -2.854 -13.119 -6.169 1.00 0.00 N ATOM 830 CA LYS A 55 -3.182 -13.817 -7.400 1.00 0.00 C ATOM 831 C LYS A 55 -3.831 -12.837 -8.379 1.00 0.00 C ATOM 832 O LYS A 55 -4.717 -13.214 -9.145 1.00 0.00 O ATOM 833 CB LYS A 55 -4.039 -15.050 -7.105 1.00 0.00 C ATOM 834 CG LYS A 55 -3.321 -16.332 -7.534 1.00 0.00 C ATOM 835 CD LYS A 55 -2.504 -16.914 -6.379 1.00 0.00 C ATOM 836 CE LYS A 55 -3.283 -18.014 -5.656 1.00 0.00 C ATOM 837 NZ LYS A 55 -2.769 -19.349 -6.034 1.00 0.00 N ATOM 0 H LYS A 55 -1.857 -13.073 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.277 -14.193 -7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.264 -15.094 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.991 -14.969 -7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.052 -17.066 -7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.665 -16.121 -8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.566 -17.318 -6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.248 -16.122 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.199 -17.878 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.342 -17.942 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.309 -20.083 -5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.871 -19.482 -7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.765 -19.421 -5.774 1.00 0.00 H new ATOM 851 N GLY A 56 -3.365 -11.598 -8.322 1.00 0.00 N ATOM 852 CA GLY A 56 -3.890 -10.561 -9.194 1.00 0.00 C ATOM 853 C GLY A 56 -5.303 -10.152 -8.772 1.00 0.00 C ATOM 854 O GLY A 56 -6.208 -10.087 -9.603 1.00 0.00 O ATOM 0 H GLY A 56 -2.630 -11.289 -7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.233 -9.692 -9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.904 -10.919 -10.223 1.00 0.00 H new ATOM 858 N ARG A 57 -5.447 -9.887 -7.482 1.00 0.00 N ATOM 859 CA ARG A 57 -6.734 -9.486 -6.940 1.00 0.00 C ATOM 860 C ARG A 57 -6.541 -8.492 -5.793 1.00 0.00 C ATOM 861 O ARG A 57 -6.052 -8.858 -4.725 1.00 0.00 O ATOM 862 CB ARG A 57 -7.518 -10.697 -6.430 1.00 0.00 C ATOM 863 CG ARG A 57 -7.930 -11.610 -7.586 1.00 0.00 C ATOM 864 CD ARG A 57 -9.199 -11.094 -8.266 1.00 0.00 C ATOM 865 NE ARG A 57 -10.396 -11.609 -7.564 1.00 0.00 N ATOM 866 CZ ARG A 57 -11.652 -11.245 -7.854 1.00 0.00 C ATOM 867 NH1 ARG A 57 -11.884 -10.361 -8.834 1.00 0.00 N ATOM 868 NH2 ARG A 57 -12.677 -11.764 -7.164 1.00 0.00 N ATOM 0 H ARG A 57 -4.694 -9.942 -6.796 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.299 -9.013 -7.743 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.909 -11.256 -5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.405 -10.361 -5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.121 -11.668 -8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.098 -12.621 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.206 -10.004 -8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.216 -11.409 -9.309 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.256 -12.284 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.104 -9.965 -9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.840 -10.084 -9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.501 -12.437 -6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.633 -11.486 -7.385 1.00 0.00 H new ATOM 882 N LYS A 58 -6.934 -7.254 -6.053 1.00 0.00 N ATOM 883 CA LYS A 58 -6.810 -6.205 -5.056 1.00 0.00 C ATOM 884 C LYS A 58 -7.587 -6.606 -3.800 1.00 0.00 C ATOM 885 O LYS A 58 -8.817 -6.614 -3.803 1.00 0.00 O ATOM 886 CB LYS A 58 -7.239 -4.857 -5.640 1.00 0.00 C ATOM 887 CG LYS A 58 -6.089 -4.201 -6.406 1.00 0.00 C ATOM 888 CD LYS A 58 -6.216 -4.455 -7.910 1.00 0.00 C ATOM 889 CE LYS A 58 -6.125 -3.146 -8.697 1.00 0.00 C ATOM 890 NZ LYS A 58 -6.395 -3.384 -10.132 1.00 0.00 N ATOM 0 H LYS A 58 -7.339 -6.954 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.768 -6.082 -4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.090 -4.999 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.569 -4.197 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.085 -3.128 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.138 -4.593 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.428 -5.135 -8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.167 -4.945 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.841 -2.426 -8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.134 -2.710 -8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.329 -2.485 -10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.696 -4.055 -10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.350 -3.780 -10.245 1.00 0.00 H new ATOM 904 N THR A 59 -6.837 -6.929 -2.757 1.00 0.00 N ATOM 905 CA THR A 59 -7.440 -7.330 -1.497 1.00 0.00 C ATOM 906 C THR A 59 -7.219 -6.253 -0.433 1.00 0.00 C ATOM 907 O THR A 59 -6.150 -6.181 0.170 1.00 0.00 O ATOM 908 CB THR A 59 -6.863 -8.694 -1.110 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.708 -9.629 -1.774 1.00 0.00 O ATOM 910 CG2 THR A 59 -7.052 -9.009 0.375 1.00 0.00 C ATOM 0 H THR A 59 -5.817 -6.921 -2.758 1.00 0.00 H new ATOM 0 HA THR A 59 -8.521 -7.433 -1.591 1.00 0.00 H new ATOM 0 HB THR A 59 -5.801 -8.722 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.404 -10.540 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.625 -9.987 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.550 -8.250 0.975 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.116 -9.015 0.613 1.00 0.00 H new ATOM 918 N VAL A 60 -8.248 -5.442 -0.236 1.00 0.00 N ATOM 919 CA VAL A 60 -8.180 -4.372 0.744 1.00 0.00 C ATOM 920 C VAL A 60 -7.461 -4.878 1.996 1.00 0.00 C ATOM 921 O VAL A 60 -7.653 -6.021 2.408 1.00 0.00 O ATOM 922 CB VAL A 60 -9.585 -3.840 1.036 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.551 -2.776 2.135 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.240 -3.295 -0.235 1.00 0.00 C ATOM 0 H VAL A 60 -9.133 -5.505 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.603 -3.533 0.354 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.191 -4.672 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.562 -2.415 2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.145 -3.210 3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.922 -1.945 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.237 -2.923 0.000 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.635 -2.482 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.315 -4.091 -0.976 1.00 0.00 H new ATOM 934 N THR A 61 -6.647 -4.002 2.566 1.00 0.00 N ATOM 935 CA THR A 61 -5.897 -4.345 3.763 1.00 0.00 C ATOM 936 C THR A 61 -6.186 -3.340 4.880 1.00 0.00 C ATOM 937 O THR A 61 -6.256 -2.137 4.634 1.00 0.00 O ATOM 938 CB THR A 61 -4.417 -4.426 3.386 1.00 0.00 C ATOM 939 OG1 THR A 61 -3.907 -5.475 4.206 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.631 -3.191 3.830 1.00 0.00 C ATOM 0 H THR A 61 -6.490 -3.055 2.221 1.00 0.00 H new ATOM 0 HA THR A 61 -6.201 -5.315 4.156 1.00 0.00 H new ATOM 0 HB THR A 61 -4.324 -4.547 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.981 -5.274 4.457 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.587 -3.300 3.538 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.050 -2.303 3.356 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.696 -3.088 4.913 1.00 0.00 H new ATOM 948 N ALA A 62 -6.345 -3.871 6.083 1.00 0.00 N ATOM 949 CA ALA A 62 -6.624 -3.036 7.239 1.00 0.00 C ATOM 950 C ALA A 62 -5.378 -2.217 7.584 1.00 0.00 C ATOM 951 O ALA A 62 -4.268 -2.575 7.193 1.00 0.00 O ATOM 952 CB ALA A 62 -7.087 -3.913 8.404 1.00 0.00 C ATOM 0 H ALA A 62 -6.286 -4.870 6.283 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.429 -2.335 7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.296 -3.286 9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.991 -4.450 8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.304 -4.629 8.654 1.00 0.00 H new ATOM 958 N TRP A 63 -5.604 -1.134 8.313 1.00 0.00 N ATOM 959 CA TRP A 63 -4.514 -0.262 8.716 1.00 0.00 C ATOM 960 C TRP A 63 -3.849 -0.876 9.950 1.00 0.00 C ATOM 961 O TRP A 63 -2.649 -0.709 10.160 1.00 0.00 O ATOM 962 CB TRP A 63 -5.011 1.165 8.952 1.00 0.00 C ATOM 963 CG TRP A 63 -5.457 1.887 7.679 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.695 2.271 7.338 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.612 2.300 6.584 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.710 2.898 6.109 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.403 2.916 5.636 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.226 2.157 6.401 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.899 3.438 4.439 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.737 2.684 5.199 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.520 3.307 4.234 1.00 0.00 C ATOM 0 H TRP A 63 -6.526 -0.841 8.635 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.770 -0.183 7.923 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.845 1.137 9.653 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.216 1.742 9.425 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.571 2.110 7.949 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.529 3.278 5.635 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.588 1.679 7.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.539 3.916 3.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.677 2.600 5.008 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.067 3.688 3.331 1.00 0.00 H new ATOM 982 N ASP A 64 -4.659 -1.572 10.734 1.00 0.00 N ATOM 983 CA ASP A 64 -4.164 -2.211 11.942 1.00 0.00 C ATOM 984 C ASP A 64 -3.229 -3.360 11.559 1.00 0.00 C ATOM 985 O ASP A 64 -2.358 -3.743 12.340 1.00 0.00 O ATOM 986 CB ASP A 64 -5.313 -2.792 12.768 1.00 0.00 C ATOM 987 CG ASP A 64 -4.912 -3.339 14.139 1.00 0.00 C ATOM 988 OD1 ASP A 64 -4.755 -2.507 15.059 1.00 0.00 O ATOM 989 OD2 ASP A 64 -4.770 -4.577 14.237 1.00 0.00 O ATOM 0 H ASP A 64 -5.654 -1.708 10.557 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.641 -1.458 12.532 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.067 -2.018 12.909 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.782 -3.593 12.197 1.00 0.00 H new ATOM 994 N THR A 65 -3.440 -3.878 10.358 1.00 0.00 N ATOM 995 CA THR A 65 -2.627 -4.976 9.863 1.00 0.00 C ATOM 996 C THR A 65 -1.142 -4.675 10.070 1.00 0.00 C ATOM 997 O THR A 65 -0.757 -3.519 10.241 1.00 0.00 O ATOM 998 CB THR A 65 -3.000 -5.217 8.399 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.420 -5.097 8.378 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.741 -6.659 7.959 1.00 0.00 C ATOM 0 H THR A 65 -4.162 -3.558 9.713 1.00 0.00 H new ATOM 0 HA THR A 65 -2.821 -5.894 10.418 1.00 0.00 H new ATOM 0 HB THR A 65 -2.434 -4.536 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.815 -5.780 8.960 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.023 -6.776 6.913 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.683 -6.891 8.078 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.333 -7.338 8.572 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.347 -5.735 10.049 1.00 0.00 N ATOM 1009 CA ALA A 66 1.088 -5.599 10.232 1.00 0.00 C ATOM 1010 C ALA A 66 1.775 -5.606 8.866 1.00 0.00 C ATOM 1011 O ALA A 66 1.147 -5.906 7.852 1.00 0.00 O ATOM 1012 CB ALA A 66 1.594 -6.717 11.146 1.00 0.00 C ATOM 0 H ALA A 66 -0.670 -6.692 9.908 1.00 0.00 H new ATOM 0 HA ALA A 66 1.325 -4.651 10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.671 -6.615 11.284 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.097 -6.649 12.114 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.376 -7.684 10.693 1.00 0.00 H new ATOM 1018 N ILE A 67 3.057 -5.271 8.882 1.00 0.00 N ATOM 1019 CA ILE A 67 3.837 -5.234 7.656 1.00 0.00 C ATOM 1020 C ILE A 67 4.854 -6.377 7.670 1.00 0.00 C ATOM 1021 O ILE A 67 5.697 -6.473 6.780 1.00 0.00 O ATOM 1022 CB ILE A 67 4.466 -3.854 7.462 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.988 -3.685 6.034 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.556 -3.596 8.505 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.953 -2.984 5.151 1.00 0.00 C ATOM 0 H ILE A 67 3.575 -5.023 9.725 1.00 0.00 H new ATOM 0 HA ILE A 67 3.193 -5.389 6.790 1.00 0.00 H new ATOM 0 HB ILE A 67 3.692 -3.102 7.613 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.912 -3.107 6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.229 -4.661 5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.987 -2.608 8.344 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.123 -3.645 9.504 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.336 -4.352 8.411 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.349 -2.876 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.039 -3.577 5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.733 -1.998 5.561 1.00 0.00 H new ATOM 1037 N ALA A 68 4.740 -7.216 8.690 1.00 0.00 N ATOM 1038 CA ALA A 68 5.640 -8.348 8.831 1.00 0.00 C ATOM 1039 C ALA A 68 5.223 -9.450 7.855 1.00 0.00 C ATOM 1040 O ALA A 68 6.041 -9.937 7.076 1.00 0.00 O ATOM 1041 CB ALA A 68 5.635 -8.826 10.285 1.00 0.00 C ATOM 0 H ALA A 68 4.038 -7.134 9.426 1.00 0.00 H new ATOM 0 HA ALA A 68 6.662 -8.059 8.586 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.310 -9.675 10.391 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.966 -8.016 10.935 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.626 -9.128 10.565 1.00 0.00 H new ATOM 1047 N PRO A 69 3.916 -9.820 7.929 1.00 0.00 N ATOM 1048 CA PRO A 69 3.381 -10.855 7.061 1.00 0.00 C ATOM 1049 C PRO A 69 3.186 -10.330 5.637 1.00 0.00 C ATOM 1050 O PRO A 69 2.078 -10.365 5.105 1.00 0.00 O ATOM 1051 CB PRO A 69 2.079 -11.285 7.718 1.00 0.00 C ATOM 1052 CG PRO A 69 1.702 -10.162 8.671 1.00 0.00 C ATOM 1053 CD PRO A 69 2.918 -9.265 8.838 1.00 0.00 C ATOM 0 HA PRO A 69 4.057 -11.703 6.952 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.299 -11.443 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.204 -12.226 8.253 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.859 -9.594 8.277 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.391 -10.567 9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.685 -8.231 8.586 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.275 -9.269 9.868 1.00 0.00 H new ATOM 1061 N LEU A 70 4.281 -9.856 5.061 1.00 0.00 N ATOM 1062 CA LEU A 70 4.245 -9.325 3.709 1.00 0.00 C ATOM 1063 C LEU A 70 5.465 -9.829 2.935 1.00 0.00 C ATOM 1064 O LEU A 70 5.325 -10.411 1.860 1.00 0.00 O ATOM 1065 CB LEU A 70 4.121 -7.800 3.736 1.00 0.00 C ATOM 1066 CG LEU A 70 2.728 -7.246 4.042 1.00 0.00 C ATOM 1067 CD1 LEU A 70 1.666 -7.926 3.176 1.00 0.00 C ATOM 1068 CD2 LEU A 70 2.409 -7.357 5.534 1.00 0.00 C ATOM 0 H LEU A 70 5.198 -9.829 5.506 1.00 0.00 H new ATOM 0 HA LEU A 70 3.362 -9.685 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.816 -7.412 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.440 -7.412 2.769 1.00 0.00 H new ATOM 0 HG LEU A 70 2.719 -6.186 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.685 -7.514 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.888 -7.751 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.667 -8.998 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.413 -6.956 5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.443 -8.404 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.143 -6.790 6.106 1.00 0.00 H new ATOM 1080 N ASP A 71 6.633 -9.588 3.512 1.00 0.00 N ATOM 1081 CA ASP A 71 7.876 -10.010 2.889 1.00 0.00 C ATOM 1082 C ASP A 71 7.904 -9.529 1.437 1.00 0.00 C ATOM 1083 O ASP A 71 8.335 -8.412 1.157 1.00 0.00 O ATOM 1084 CB ASP A 71 8.000 -11.535 2.885 1.00 0.00 C ATOM 1085 CG ASP A 71 9.057 -12.095 1.932 1.00 0.00 C ATOM 1086 OD1 ASP A 71 10.050 -11.373 1.697 1.00 0.00 O ATOM 1087 OD2 ASP A 71 8.849 -13.234 1.460 1.00 0.00 O ATOM 0 H ASP A 71 6.745 -9.106 4.404 1.00 0.00 H new ATOM 0 HA ASP A 71 8.701 -9.583 3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.231 -11.868 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.032 -11.963 2.622 1.00 0.00 H new ATOM 1092 N GLY A 72 7.437 -10.397 0.551 1.00 0.00 N ATOM 1093 CA GLY A 72 7.403 -10.076 -0.865 1.00 0.00 C ATOM 1094 C GLY A 72 5.962 -9.995 -1.374 1.00 0.00 C ATOM 1095 O GLY A 72 5.211 -10.964 -1.278 1.00 0.00 O ATOM 0 H GLY A 72 7.079 -11.322 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.908 -9.126 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.949 -10.834 -1.427 1.00 0.00 H new ATOM 1099 N GLU A 73 5.621 -8.830 -1.905 1.00 0.00 N ATOM 1100 CA GLU A 73 4.283 -8.610 -2.430 1.00 0.00 C ATOM 1101 C GLU A 73 4.146 -7.177 -2.949 1.00 0.00 C ATOM 1102 O GLU A 73 5.139 -6.465 -3.086 1.00 0.00 O ATOM 1103 CB GLU A 73 3.222 -8.913 -1.370 1.00 0.00 C ATOM 1104 CG GLU A 73 3.403 -8.019 -0.141 1.00 0.00 C ATOM 1105 CD GLU A 73 2.408 -6.858 -0.157 1.00 0.00 C ATOM 1106 OE1 GLU A 73 1.193 -7.151 -0.155 1.00 0.00 O ATOM 1107 OE2 GLU A 73 2.884 -5.702 -0.171 1.00 0.00 O ATOM 0 H GLU A 73 6.247 -8.029 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 73 4.123 -9.294 -3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.228 -8.761 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.286 -9.960 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.265 -8.608 0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.421 -7.630 -0.116 1.00 0.00 H new ATOM 1114 N GLU A 74 2.907 -6.798 -3.225 1.00 0.00 N ATOM 1115 CA GLU A 74 2.627 -5.463 -3.726 1.00 0.00 C ATOM 1116 C GLU A 74 1.315 -4.940 -3.137 1.00 0.00 C ATOM 1117 O GLU A 74 0.348 -5.688 -3.004 1.00 0.00 O ATOM 1118 CB GLU A 74 2.585 -5.450 -5.255 1.00 0.00 C ATOM 1119 CG GLU A 74 3.959 -5.112 -5.838 1.00 0.00 C ATOM 1120 CD GLU A 74 4.317 -6.062 -6.983 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.579 -6.038 -7.992 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.320 -6.791 -6.824 1.00 0.00 O ATOM 0 H GLU A 74 2.086 -7.392 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 74 3.433 -4.801 -3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.260 -6.424 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.851 -4.720 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.962 -4.084 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.716 -5.177 -5.056 1.00 0.00 H new ATOM 1129 N LEU A 75 1.325 -3.658 -2.800 1.00 0.00 N ATOM 1130 CA LEU A 75 0.148 -3.026 -2.229 1.00 0.00 C ATOM 1131 C LEU A 75 -0.212 -1.789 -3.054 1.00 0.00 C ATOM 1132 O LEU A 75 0.669 -1.048 -3.486 1.00 0.00 O ATOM 1133 CB LEU A 75 0.367 -2.731 -0.743 1.00 0.00 C ATOM 1134 CG LEU A 75 0.436 -3.950 0.179 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.300 -3.659 1.408 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.966 -4.427 0.564 1.00 0.00 C ATOM 0 H LEU A 75 2.129 -3.041 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.707 -3.700 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.294 -2.167 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.440 -2.085 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 75 0.914 -4.764 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.333 -4.541 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.311 -3.404 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.873 -2.824 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.888 -5.294 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.493 -3.626 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.517 -4.701 -0.336 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.510 -1.605 -3.249 1.00 0.00 N ATOM 1149 CA ILE A 76 -1.998 -0.471 -4.015 1.00 0.00 C ATOM 1150 C ILE A 76 -2.729 0.495 -3.079 1.00 0.00 C ATOM 1151 O ILE A 76 -3.775 0.158 -2.528 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.849 -0.947 -5.194 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.992 -1.677 -6.230 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.630 0.215 -5.811 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.867 -2.420 -7.240 1.00 0.00 C ATOM 0 H ILE A 76 -2.238 -2.222 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.165 0.079 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.580 -1.663 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.357 -0.961 -6.751 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.331 -2.383 -5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.227 -0.151 -6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.288 0.651 -5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.933 0.973 -6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.233 -2.930 -7.965 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.483 -3.152 -6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.510 -1.708 -7.758 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.148 1.676 -2.929 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.730 2.693 -2.070 1.00 0.00 C ATOM 1169 C VAL A 77 -3.583 3.641 -2.915 1.00 0.00 C ATOM 1170 O VAL A 77 -3.051 4.440 -3.685 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.628 3.413 -1.290 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.210 4.539 -0.433 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.829 2.429 -0.435 1.00 0.00 C ATOM 0 H VAL A 77 -1.280 1.951 -3.388 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.388 2.237 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.944 3.860 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.406 5.035 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.713 5.262 -1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.926 4.124 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.052 2.967 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.496 1.939 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.369 1.679 -1.078 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.891 3.522 -2.743 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.822 4.359 -3.480 1.00 0.00 C ATOM 1185 C GLU A 78 -6.504 5.353 -2.538 1.00 0.00 C ATOM 1186 O GLU A 78 -6.505 5.160 -1.323 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.856 3.508 -4.221 1.00 0.00 C ATOM 1188 CG GLU A 78 -6.538 3.437 -5.716 1.00 0.00 C ATOM 1189 CD GLU A 78 -7.596 4.177 -6.537 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -8.787 4.042 -6.182 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -7.190 4.862 -7.501 1.00 0.00 O ATOM 0 H GLU A 78 -5.328 2.858 -2.104 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.261 4.922 -4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.873 2.502 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.850 3.930 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.557 3.872 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.490 2.395 -6.032 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.067 6.394 -3.133 1.00 0.00 N ATOM 1199 CA VAL A 79 -7.751 7.418 -2.362 1.00 0.00 C ATOM 1200 C VAL A 79 -9.258 7.310 -2.602 1.00 0.00 C ATOM 1201 O VAL A 79 -9.726 7.491 -3.725 1.00 0.00 O ATOM 1202 CB VAL A 79 -7.187 8.797 -2.708 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -7.009 8.953 -4.220 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -8.073 9.909 -2.144 1.00 0.00 C ATOM 0 H VAL A 79 -7.063 6.551 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.581 7.271 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.205 8.883 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.607 9.942 -4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.320 8.192 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.974 8.836 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.649 10.879 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.075 9.825 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.127 9.816 -1.059 1.00 0.00 H new ATOM 1214 N LEU A 80 -9.976 7.016 -1.528 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.421 6.882 -1.608 1.00 0.00 C ATOM 1216 C LEU A 80 -12.037 8.242 -1.939 1.00 0.00 C ATOM 1217 O LEU A 80 -11.785 9.227 -1.246 1.00 0.00 O ATOM 1218 CB LEU A 80 -11.972 6.252 -0.327 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.446 4.856 0.014 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -11.786 4.480 1.457 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -11.960 3.818 -0.985 1.00 0.00 C ATOM 0 H LEU A 80 -9.584 6.867 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.697 6.202 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.747 6.917 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.058 6.199 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.359 4.871 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.401 3.484 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.332 5.200 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.868 4.488 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.572 2.835 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.049 3.797 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.626 4.082 -1.988 1.00 0.00 H new