USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 LYS NZ :NH3+ 141:sc= 0.32! (180deg=-2.68!) USER MOD Set 1.2: A 35 ASN : amide:sc= -2.24! C(o=-1.9!,f=-13!) USER MOD Single : A 5 SER OG : rot 120:sc= -1.13 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 90:sc= -0.0763 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 42:sc= -0.581 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc=-0.00517 (180deg=-0.115) USER MOD Single : A 30 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.027) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc=-0.00306 (180deg=-0.0544) USER MOD Single : A 47 SER OG : rot 77:sc= 0.385 USER MOD Single : A 48 ASN : amide:sc= -2.13 K(o=-2.1,f=-6!) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0142 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -77:sc= 1.1 USER MOD Single : A 61 SER OG : rot 34:sc= 0.678 USER MOD Single : A 64 LYS NZ :NH3+ 142:sc= -0.743 (180deg=-2.89!) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 2.41 (180deg=2.24) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 5 -10.811 -2.572 3.788 1.00 0.00 N ATOM 46 CA SER A 5 -10.499 -1.205 3.401 1.00 0.00 C ATOM 47 C SER A 5 -9.940 -0.421 4.576 1.00 0.00 C ATOM 48 O SER A 5 -10.667 0.093 5.428 1.00 0.00 O ATOM 49 CB SER A 5 -11.716 -0.526 2.798 1.00 0.00 C ATOM 50 OG SER A 5 -11.461 0.834 2.493 1.00 0.00 O ATOM 0 HA SER A 5 -9.725 -1.233 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.014 -1.052 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.552 -0.592 3.495 1.00 0.00 H new ATOM 0 HG SER A 5 -11.587 0.983 1.533 1.00 0.00 H new ATOM 56 N ARG A 6 -8.637 -0.311 4.579 1.00 0.00 N ATOM 57 CA ARG A 6 -7.913 0.228 5.715 1.00 0.00 C ATOM 58 C ARG A 6 -7.159 1.489 5.326 1.00 0.00 C ATOM 59 O ARG A 6 -7.136 1.867 4.159 1.00 0.00 O ATOM 60 CB ARG A 6 -6.958 -0.834 6.249 1.00 0.00 C ATOM 61 CG ARG A 6 -5.755 -1.091 5.366 1.00 0.00 C ATOM 62 CD ARG A 6 -5.141 -2.434 5.693 1.00 0.00 C ATOM 63 NE ARG A 6 -6.063 -3.522 5.379 1.00 0.00 N ATOM 64 CZ ARG A 6 -6.547 -4.388 6.269 1.00 0.00 C ATOM 65 NH1 ARG A 6 -6.272 -4.257 7.562 1.00 0.00 N ATOM 66 NH2 ARG A 6 -7.330 -5.377 5.856 1.00 0.00 N ATOM 0 H ARG A 6 -8.043 -0.590 3.798 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.622 0.499 6.498 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.611 -0.530 7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.506 -1.767 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.053 -1.065 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.017 -0.302 5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.217 -2.562 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.878 -2.470 6.750 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.358 -3.627 4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.685 -3.487 7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.648 -4.926 8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.556 -5.469 4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.706 -6.045 6.529 1.00 0.00 H new ATOM 80 N LEU A 7 -6.543 2.122 6.310 1.00 0.00 N ATOM 81 CA LEU A 7 -5.889 3.404 6.112 1.00 0.00 C ATOM 82 C LEU A 7 -4.476 3.217 5.557 1.00 0.00 C ATOM 83 O LEU A 7 -3.620 2.613 6.204 1.00 0.00 O ATOM 84 CB LEU A 7 -5.862 4.169 7.448 1.00 0.00 C ATOM 85 CG LEU A 7 -5.721 5.694 7.363 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.335 6.092 6.890 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.784 6.278 6.450 1.00 0.00 C ATOM 0 H LEU A 7 -6.482 1.764 7.263 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.450 3.984 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.780 3.941 7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.036 3.783 8.045 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.862 6.100 8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.266 7.179 6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.589 5.713 7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.153 5.671 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.668 7.361 6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.676 5.857 5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.772 6.036 6.841 1.00 0.00 H new ATOM 99 N TRP A 8 -4.259 3.730 4.353 1.00 0.00 N ATOM 100 CA TRP A 8 -2.941 3.733 3.724 1.00 0.00 C ATOM 101 C TRP A 8 -2.382 5.146 3.687 1.00 0.00 C ATOM 102 O TRP A 8 -3.134 6.109 3.526 1.00 0.00 O ATOM 103 CB TRP A 8 -3.024 3.190 2.296 1.00 0.00 C ATOM 104 CG TRP A 8 -3.469 1.766 2.222 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.741 1.303 2.355 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.645 0.622 1.985 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.762 -0.061 2.231 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.486 -0.506 1.997 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.278 0.443 1.768 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -3.003 -1.795 1.799 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.798 -0.836 1.568 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.660 -1.942 1.583 1.00 0.00 C ATOM 0 H TRP A 8 -4.990 4.156 3.784 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.283 3.093 4.313 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.714 3.808 1.721 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.046 3.281 1.824 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.609 1.921 2.533 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.592 -0.650 2.301 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.608 1.290 1.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.664 -2.649 1.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.258 -0.987 1.397 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.255 -2.930 1.421 1.00 0.00 H new ATOM 123 N VAL A 9 -1.072 5.265 3.843 1.00 0.00 N ATOM 124 CA VAL A 9 -0.401 6.559 3.809 1.00 0.00 C ATOM 125 C VAL A 9 0.812 6.500 2.885 1.00 0.00 C ATOM 126 O VAL A 9 1.549 5.512 2.888 1.00 0.00 O ATOM 127 CB VAL A 9 0.069 6.983 5.224 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.830 8.298 5.188 1.00 0.00 C ATOM 129 CG2 VAL A 9 -1.104 7.090 6.180 1.00 0.00 C ATOM 0 H VAL A 9 -0.446 4.474 3.996 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.117 7.292 3.438 1.00 0.00 H new ATOM 0 HB VAL A 9 0.744 6.206 5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.144 8.564 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.708 8.193 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.184 9.081 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.745 7.389 7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.809 7.834 5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.603 6.124 6.254 1.00 0.00 H new ATOM 139 N ASP A 10 1.025 7.541 2.085 1.00 0.00 N ATOM 140 CA ASP A 10 2.223 7.596 1.253 1.00 0.00 C ATOM 141 C ASP A 10 3.398 8.167 2.041 1.00 0.00 C ATOM 142 O ASP A 10 3.216 8.712 3.130 1.00 0.00 O ATOM 143 CB ASP A 10 2.002 8.421 -0.013 1.00 0.00 C ATOM 144 CG ASP A 10 1.892 9.898 0.274 1.00 0.00 C ATOM 145 OD1 ASP A 10 0.883 10.303 0.862 1.00 0.00 O ATOM 146 OD2 ASP A 10 2.820 10.658 -0.079 1.00 0.00 O ATOM 0 H ASP A 10 0.399 8.341 1.995 1.00 0.00 H new ATOM 0 HA ASP A 10 2.451 6.573 0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.827 8.249 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.093 8.082 -0.510 1.00 0.00 H new ATOM 151 N ARG A 11 4.595 8.064 1.487 1.00 0.00 N ATOM 152 CA ARG A 11 5.799 8.459 2.205 1.00 0.00 C ATOM 153 C ARG A 11 5.837 9.968 2.443 1.00 0.00 C ATOM 154 O ARG A 11 6.290 10.424 3.493 1.00 0.00 O ATOM 155 CB ARG A 11 7.053 8.015 1.444 1.00 0.00 C ATOM 156 CG ARG A 11 8.350 8.214 2.220 1.00 0.00 C ATOM 157 CD ARG A 11 8.476 7.247 3.393 1.00 0.00 C ATOM 158 NE ARG A 11 7.467 7.478 4.431 1.00 0.00 N ATOM 159 CZ ARG A 11 7.388 6.777 5.563 1.00 0.00 C ATOM 160 NH1 ARG A 11 8.271 5.823 5.819 1.00 0.00 N ATOM 161 NH2 ARG A 11 6.418 7.027 6.430 1.00 0.00 N ATOM 0 H ARG A 11 4.760 7.711 0.544 1.00 0.00 H new ATOM 0 HA ARG A 11 5.780 7.963 3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.954 6.961 1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.113 8.569 0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.197 8.079 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.396 9.238 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.386 6.225 3.026 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.470 7.342 3.831 1.00 0.00 H new ATOM 0 HE ARG A 11 6.784 8.220 4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.014 5.623 5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.208 5.289 6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.732 7.755 6.232 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.357 6.491 7.296 1.00 0.00 H new ATOM 175 N SER A 12 5.329 10.733 1.490 1.00 0.00 N ATOM 176 CA SER A 12 5.378 12.184 1.575 1.00 0.00 C ATOM 177 C SER A 12 4.288 12.721 2.504 1.00 0.00 C ATOM 178 O SER A 12 4.310 13.887 2.899 1.00 0.00 O ATOM 179 CB SER A 12 5.230 12.782 0.176 1.00 0.00 C ATOM 180 OG SER A 12 6.176 12.209 -0.716 1.00 0.00 O ATOM 0 H SER A 12 4.878 10.373 0.649 1.00 0.00 H new ATOM 0 HA SER A 12 6.341 12.476 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.220 12.607 -0.195 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.371 13.862 0.220 1.00 0.00 H new ATOM 0 HG SER A 12 6.066 12.602 -1.607 1.00 0.00 H new ATOM 186 N GLY A 13 3.346 11.856 2.866 1.00 0.00 N ATOM 187 CA GLY A 13 2.252 12.262 3.729 1.00 0.00 C ATOM 188 C GLY A 13 1.185 13.002 2.959 1.00 0.00 C ATOM 189 O GLY A 13 0.338 13.689 3.542 1.00 0.00 O ATOM 0 H GLY A 13 3.321 10.878 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.816 11.383 4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.634 12.899 4.527 1.00 0.00 H new ATOM 193 N THR A 14 1.228 12.839 1.647 1.00 0.00 N ATOM 194 CA THR A 14 0.327 13.523 0.740 1.00 0.00 C ATOM 195 C THR A 14 -1.101 13.040 0.937 1.00 0.00 C ATOM 196 O THR A 14 -2.031 13.840 1.064 1.00 0.00 O ATOM 197 CB THR A 14 0.725 13.267 -0.726 1.00 0.00 C ATOM 198 OG1 THR A 14 2.150 13.166 -0.842 1.00 0.00 O ATOM 199 CG2 THR A 14 0.216 14.382 -1.628 1.00 0.00 C ATOM 0 H THR A 14 1.894 12.224 1.180 1.00 0.00 H new ATOM 0 HA THR A 14 0.393 14.589 0.959 1.00 0.00 H new ATOM 0 HB THR A 14 0.270 12.328 -1.041 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.422 12.231 -0.728 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.509 14.179 -2.658 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.871 14.434 -1.564 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.645 15.332 -1.309 1.00 0.00 H new ATOM 207 N PHE A 15 -1.271 11.729 0.984 1.00 0.00 N ATOM 208 CA PHE A 15 -2.593 11.148 1.045 1.00 0.00 C ATOM 209 C PHE A 15 -2.674 9.982 2.012 1.00 0.00 C ATOM 210 O PHE A 15 -1.819 9.097 2.031 1.00 0.00 O ATOM 211 CB PHE A 15 -3.078 10.722 -0.352 1.00 0.00 C ATOM 212 CG PHE A 15 -2.068 9.965 -1.184 1.00 0.00 C ATOM 213 CD1 PHE A 15 -1.874 8.598 -1.021 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.318 10.629 -2.143 1.00 0.00 C ATOM 215 CE1 PHE A 15 -0.957 7.915 -1.799 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.402 9.949 -2.923 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.219 8.592 -2.748 1.00 0.00 C ATOM 0 H PHE A 15 -0.508 11.052 0.981 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.254 11.927 1.424 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.967 10.102 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.381 11.614 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.446 8.063 -0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.452 11.692 -2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.819 6.852 -1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.171 10.479 -3.669 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.501 8.061 -3.353 1.00 0.00 H new ATOM 227 N LYS A 16 -3.705 10.021 2.836 1.00 0.00 N ATOM 228 CA LYS A 16 -4.103 8.877 3.625 1.00 0.00 C ATOM 229 C LYS A 16 -5.532 8.523 3.260 1.00 0.00 C ATOM 230 O LYS A 16 -6.412 9.385 3.242 1.00 0.00 O ATOM 231 CB LYS A 16 -3.977 9.159 5.124 1.00 0.00 C ATOM 232 CG LYS A 16 -4.696 10.418 5.580 1.00 0.00 C ATOM 233 CD LYS A 16 -4.599 10.610 7.088 1.00 0.00 C ATOM 234 CE LYS A 16 -5.220 9.443 7.842 1.00 0.00 C ATOM 235 NZ LYS A 16 -5.270 9.687 9.309 1.00 0.00 N ATOM 0 H LYS A 16 -4.287 10.847 2.975 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.442 8.038 3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.372 8.307 5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.921 9.244 5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.268 11.284 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.745 10.364 5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.553 10.714 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.101 11.535 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.229 9.267 7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.646 8.538 7.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.700 8.867 9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.305 9.829 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.840 10.536 9.501 1.00 0.00 H new ATOM 249 N VAL A 17 -5.761 7.262 2.961 1.00 0.00 N ATOM 250 CA VAL A 17 -7.050 6.830 2.440 1.00 0.00 C ATOM 251 C VAL A 17 -7.383 5.416 2.854 1.00 0.00 C ATOM 252 O VAL A 17 -6.506 4.632 3.202 1.00 0.00 O ATOM 253 CB VAL A 17 -7.109 6.906 0.900 1.00 0.00 C ATOM 254 CG1 VAL A 17 -7.529 8.290 0.447 1.00 0.00 C ATOM 255 CG2 VAL A 17 -5.774 6.516 0.281 1.00 0.00 C ATOM 0 H VAL A 17 -5.075 6.515 3.068 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.780 7.518 2.867 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.858 6.193 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.564 8.321 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.516 8.520 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.810 9.025 0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.844 6.578 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.997 7.194 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.523 5.495 0.570 1.00 0.00 H new ATOM 265 N ASP A 18 -8.665 5.112 2.801 1.00 0.00 N ATOM 266 CA ASP A 18 -9.158 3.777 3.106 1.00 0.00 C ATOM 267 C ASP A 18 -9.277 2.954 1.840 1.00 0.00 C ATOM 268 O ASP A 18 -9.962 3.341 0.889 1.00 0.00 O ATOM 269 CB ASP A 18 -10.510 3.843 3.821 1.00 0.00 C ATOM 270 CG ASP A 18 -11.415 4.922 3.262 1.00 0.00 C ATOM 271 OD1 ASP A 18 -12.036 4.710 2.201 1.00 0.00 O ATOM 272 OD2 ASP A 18 -11.492 6.007 3.874 1.00 0.00 O ATOM 0 H ASP A 18 -9.394 5.778 2.547 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.441 3.297 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.008 2.877 3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.346 4.026 4.883 1.00 0.00 H new ATOM 277 N ALA A 19 -8.598 1.826 1.828 1.00 0.00 N ATOM 278 CA ALA A 19 -8.607 0.942 0.682 1.00 0.00 C ATOM 279 C ALA A 19 -8.131 -0.445 1.074 1.00 0.00 C ATOM 280 O ALA A 19 -7.436 -0.612 2.078 1.00 0.00 O ATOM 281 CB ALA A 19 -7.729 1.505 -0.425 1.00 0.00 C ATOM 0 H ALA A 19 -8.028 1.498 2.607 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.630 0.865 0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.745 0.830 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.106 2.482 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.706 1.607 -0.062 1.00 0.00 H new ATOM 287 N GLU A 20 -8.528 -1.438 0.305 1.00 0.00 N ATOM 288 CA GLU A 20 -8.043 -2.788 0.515 1.00 0.00 C ATOM 289 C GLU A 20 -7.107 -3.183 -0.608 1.00 0.00 C ATOM 290 O GLU A 20 -7.361 -2.878 -1.777 1.00 0.00 O ATOM 291 CB GLU A 20 -9.201 -3.776 0.598 1.00 0.00 C ATOM 292 CG GLU A 20 -9.275 -4.502 1.931 1.00 0.00 C ATOM 293 CD GLU A 20 -8.007 -5.255 2.273 1.00 0.00 C ATOM 294 OE1 GLU A 20 -7.869 -6.421 1.854 1.00 0.00 O ATOM 295 OE2 GLU A 20 -7.149 -4.685 2.978 1.00 0.00 O ATOM 0 H GLU A 20 -9.184 -1.337 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.502 -2.813 1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.137 -3.244 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.103 -4.509 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.484 -3.779 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.111 -5.202 1.910 1.00 0.00 H new ATOM 302 N PHE A 21 -6.030 -3.854 -0.246 1.00 0.00 N ATOM 303 CA PHE A 21 -5.065 -4.328 -1.231 1.00 0.00 C ATOM 304 C PHE A 21 -5.686 -5.417 -2.084 1.00 0.00 C ATOM 305 O PHE A 21 -6.320 -6.344 -1.575 1.00 0.00 O ATOM 306 CB PHE A 21 -3.795 -4.856 -0.560 1.00 0.00 C ATOM 307 CG PHE A 21 -2.872 -5.584 -1.503 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.913 -4.905 -2.240 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.965 -6.959 -1.648 1.00 0.00 C ATOM 310 CE1 PHE A 21 -1.077 -5.581 -3.103 1.00 0.00 C ATOM 311 CE2 PHE A 21 -2.132 -7.637 -2.511 1.00 0.00 C ATOM 312 CZ PHE A 21 -1.184 -6.949 -3.235 1.00 0.00 C ATOM 0 H PHE A 21 -5.798 -4.085 0.720 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.789 -3.483 -1.862 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.257 -4.021 -0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.075 -5.528 0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.820 -3.834 -2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.700 -7.506 -1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.339 -5.039 -3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.223 -8.708 -2.620 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.525 -7.481 -3.906 1.00 0.00 H new ATOM 322 N ILE A 22 -5.505 -5.296 -3.378 1.00 0.00 N ATOM 323 CA ILE A 22 -6.035 -6.271 -4.307 1.00 0.00 C ATOM 324 C ILE A 22 -4.899 -6.971 -5.037 1.00 0.00 C ATOM 325 O ILE A 22 -4.844 -8.200 -5.099 1.00 0.00 O ATOM 326 CB ILE A 22 -6.962 -5.615 -5.354 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.427 -4.231 -4.896 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.171 -6.499 -5.612 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.283 -3.516 -5.921 1.00 0.00 C ATOM 0 H ILE A 22 -4.993 -4.529 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.613 -6.990 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.392 -5.499 -6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.992 -4.334 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.554 -3.618 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.817 -6.026 -6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.840 -7.468 -5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.725 -6.638 -4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.578 -2.541 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.714 -3.383 -6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.174 -4.109 -6.128 1.00 0.00 H new ATOM 341 N GLY A 23 -3.991 -6.176 -5.578 1.00 0.00 N ATOM 342 CA GLY A 23 -2.875 -6.716 -6.323 1.00 0.00 C ATOM 343 C GLY A 23 -1.736 -5.727 -6.407 1.00 0.00 C ATOM 344 O GLY A 23 -1.951 -4.521 -6.311 1.00 0.00 O ATOM 0 H GLY A 23 -4.008 -5.158 -5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.528 -7.633 -5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.202 -6.983 -7.328 1.00 0.00 H new ATOM 348 N CYS A 24 -0.527 -6.227 -6.560 1.00 0.00 N ATOM 349 CA CYS A 24 0.637 -5.370 -6.658 1.00 0.00 C ATOM 350 C CYS A 24 1.461 -5.747 -7.881 1.00 0.00 C ATOM 351 O CYS A 24 1.775 -6.922 -8.089 1.00 0.00 O ATOM 352 CB CYS A 24 1.476 -5.461 -5.380 1.00 0.00 C ATOM 353 SG CYS A 24 3.061 -4.595 -5.474 1.00 0.00 S ATOM 0 H CYS A 24 -0.324 -7.225 -6.619 1.00 0.00 H new ATOM 0 HA CYS A 24 0.308 -4.337 -6.771 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.900 -5.052 -4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.661 -6.511 -5.153 1.00 0.00 H new ATOM 0 HG CYS A 24 2.897 -3.454 -6.074 1.00 0.00 H new ATOM 359 N ALA A 25 1.806 -4.754 -8.687 1.00 0.00 N ATOM 360 CA ALA A 25 2.520 -4.995 -9.930 1.00 0.00 C ATOM 361 C ALA A 25 3.471 -3.848 -10.228 1.00 0.00 C ATOM 362 O ALA A 25 3.101 -2.682 -10.085 1.00 0.00 O ATOM 363 CB ALA A 25 1.538 -5.181 -11.077 1.00 0.00 C ATOM 0 H ALA A 25 1.602 -3.772 -8.501 1.00 0.00 H new ATOM 0 HA ALA A 25 3.105 -5.909 -9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.088 -5.361 -12.001 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.891 -6.033 -10.868 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.930 -4.283 -11.185 1.00 0.00 H new ATOM 369 N LYS A 26 4.701 -4.187 -10.614 1.00 0.00 N ATOM 370 CA LYS A 26 5.736 -3.198 -10.936 1.00 0.00 C ATOM 371 C LYS A 26 6.091 -2.353 -9.715 1.00 0.00 C ATOM 372 O LYS A 26 6.730 -1.304 -9.827 1.00 0.00 O ATOM 373 CB LYS A 26 5.294 -2.296 -12.098 1.00 0.00 C ATOM 374 CG LYS A 26 5.113 -3.039 -13.415 1.00 0.00 C ATOM 375 CD LYS A 26 6.422 -3.642 -13.902 1.00 0.00 C ATOM 376 CE LYS A 26 7.430 -2.564 -14.264 1.00 0.00 C ATOM 377 NZ LYS A 26 8.762 -3.136 -14.588 1.00 0.00 N ATOM 0 H LYS A 26 5.010 -5.154 -10.713 1.00 0.00 H new ATOM 0 HA LYS A 26 6.627 -3.745 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.355 -1.811 -11.833 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.033 -1.507 -12.235 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.372 -3.829 -13.289 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.724 -2.355 -14.169 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.838 -4.285 -13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.233 -4.272 -14.771 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.062 -1.995 -15.118 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.528 -1.865 -13.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.420 -2.368 -14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.125 -3.658 -13.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.674 -3.784 -15.397 1.00 0.00 H new ATOM 391 N GLY A 27 5.687 -2.826 -8.546 1.00 0.00 N ATOM 392 CA GLY A 27 5.926 -2.088 -7.329 1.00 0.00 C ATOM 393 C GLY A 27 4.780 -1.158 -6.987 1.00 0.00 C ATOM 394 O GLY A 27 4.843 -0.419 -6.013 1.00 0.00 O ATOM 0 H GLY A 27 5.196 -3.711 -8.421 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.082 -2.787 -6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.843 -1.508 -7.432 1.00 0.00 H new ATOM 398 N LYS A 28 3.733 -1.180 -7.798 1.00 0.00 N ATOM 399 CA LYS A 28 2.550 -0.381 -7.522 1.00 0.00 C ATOM 400 C LYS A 28 1.526 -1.200 -6.759 1.00 0.00 C ATOM 401 O LYS A 28 1.403 -2.409 -6.964 1.00 0.00 O ATOM 402 CB LYS A 28 1.917 0.134 -8.807 1.00 0.00 C ATOM 403 CG LYS A 28 2.794 1.075 -9.606 1.00 0.00 C ATOM 404 CD LYS A 28 2.011 1.690 -10.752 1.00 0.00 C ATOM 405 CE LYS A 28 2.835 2.694 -11.540 1.00 0.00 C ATOM 406 NZ LYS A 28 4.044 2.073 -12.143 1.00 0.00 N ATOM 0 H LYS A 28 3.679 -1.740 -8.649 1.00 0.00 H new ATOM 0 HA LYS A 28 2.865 0.471 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.654 -0.718 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.987 0.646 -8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.178 1.862 -8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.656 0.534 -9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.669 0.900 -11.420 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.122 2.182 -10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.220 3.129 -12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.136 3.510 -10.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.494 2.749 -12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.715 1.817 -11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.770 1.218 -12.668 1.00 0.00 H new ATOM 420 N ILE A 29 0.790 -0.532 -5.894 1.00 0.00 N ATOM 421 CA ILE A 29 -0.225 -1.174 -5.088 1.00 0.00 C ATOM 422 C ILE A 29 -1.604 -0.827 -5.634 1.00 0.00 C ATOM 423 O ILE A 29 -1.971 0.350 -5.712 1.00 0.00 O ATOM 424 CB ILE A 29 -0.150 -0.718 -3.612 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.300 -0.698 -3.116 1.00 0.00 C ATOM 426 CG2 ILE A 29 -0.998 -1.621 -2.730 1.00 0.00 C ATOM 427 CD1 ILE A 29 2.018 -2.028 -3.223 1.00 0.00 C ATOM 0 H ILE A 29 0.880 0.471 -5.731 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.052 -2.249 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.544 0.297 -3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.855 0.047 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.310 -0.376 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.933 -1.285 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.036 -1.581 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.634 -2.646 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.037 -1.922 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.490 -2.775 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.044 -2.345 -4.266 1.00 0.00 H new ATOM 439 N HIS A 30 -2.351 -1.841 -6.043 1.00 0.00 N ATOM 440 CA HIS A 30 -3.717 -1.631 -6.496 1.00 0.00 C ATOM 441 C HIS A 30 -4.646 -1.745 -5.306 1.00 0.00 C ATOM 442 O HIS A 30 -4.630 -2.750 -4.584 1.00 0.00 O ATOM 443 CB HIS A 30 -4.132 -2.635 -7.580 1.00 0.00 C ATOM 444 CG HIS A 30 -3.261 -2.611 -8.807 1.00 0.00 C ATOM 445 ND1 HIS A 30 -3.528 -3.355 -9.934 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.127 -1.920 -9.081 1.00 0.00 C ATOM 447 CE1 HIS A 30 -2.600 -3.124 -10.843 1.00 0.00 C ATOM 448 NE2 HIS A 30 -1.738 -2.256 -10.350 1.00 0.00 N ATOM 0 H HIS A 30 -2.037 -2.811 -6.071 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.780 -0.638 -6.941 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.115 -3.639 -7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.161 -2.430 -7.874 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.623 -1.231 -8.420 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.554 -3.570 -11.825 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.916 -1.894 -10.835 1.00 0.00 H new ATOM 457 N LEU A 31 -5.443 -0.721 -5.105 1.00 0.00 N ATOM 458 CA LEU A 31 -6.269 -0.621 -3.919 1.00 0.00 C ATOM 459 C LEU A 31 -7.715 -0.341 -4.279 1.00 0.00 C ATOM 460 O LEU A 31 -8.008 0.448 -5.177 1.00 0.00 O ATOM 461 CB LEU A 31 -5.754 0.494 -3.011 1.00 0.00 C ATOM 462 CG LEU A 31 -4.338 0.302 -2.470 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.879 1.545 -1.725 1.00 0.00 C ATOM 464 CD2 LEU A 31 -4.283 -0.911 -1.557 1.00 0.00 C ATOM 0 H LEU A 31 -5.539 0.062 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.217 -1.577 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.789 1.433 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.436 0.595 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.666 0.136 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.869 1.390 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.886 2.399 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.553 1.739 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.268 -1.036 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.967 -0.768 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.574 -1.800 -2.116 1.00 0.00 H new ATOM 476 N HIS A 32 -8.611 -0.999 -3.573 1.00 0.00 N ATOM 477 CA HIS A 32 -10.031 -0.763 -3.733 1.00 0.00 C ATOM 478 C HIS A 32 -10.537 0.104 -2.585 1.00 0.00 C ATOM 479 O HIS A 32 -10.631 -0.354 -1.446 1.00 0.00 O ATOM 480 CB HIS A 32 -10.789 -2.101 -3.801 1.00 0.00 C ATOM 481 CG HIS A 32 -12.280 -1.968 -3.723 1.00 0.00 C ATOM 482 ND1 HIS A 32 -13.027 -2.493 -2.692 1.00 0.00 N ATOM 483 CD2 HIS A 32 -13.165 -1.369 -4.556 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.302 -2.221 -2.891 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.414 -1.540 -4.014 1.00 0.00 N ATOM 0 H HIS A 32 -8.378 -1.707 -2.877 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.209 -0.233 -4.669 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.529 -2.606 -4.731 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.449 -2.740 -2.986 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.931 -0.853 -5.475 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -15.117 -2.508 -2.243 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -15.287 -1.196 -4.415 1.00 0.00 H new ATOM 494 N LYS A 33 -10.821 1.367 -2.889 1.00 0.00 N ATOM 495 CA LYS A 33 -11.322 2.309 -1.910 1.00 0.00 C ATOM 496 C LYS A 33 -12.687 1.892 -1.397 1.00 0.00 C ATOM 497 O LYS A 33 -13.461 1.244 -2.105 1.00 0.00 O ATOM 498 CB LYS A 33 -11.423 3.683 -2.555 1.00 0.00 C ATOM 499 CG LYS A 33 -10.095 4.198 -3.071 1.00 0.00 C ATOM 500 CD LYS A 33 -9.154 4.556 -1.936 1.00 0.00 C ATOM 501 CE LYS A 33 -9.594 5.828 -1.237 1.00 0.00 C ATOM 502 NZ LYS A 33 -10.740 5.629 -0.306 1.00 0.00 N ATOM 0 H LYS A 33 -10.708 1.760 -3.823 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.634 2.334 -1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.134 3.639 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.822 4.390 -1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.631 3.441 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.263 5.075 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.119 3.737 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.144 4.683 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.751 6.237 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.870 6.569 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.599 6.207 0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.623 5.915 -0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.799 4.626 -0.038 1.00 0.00 H new ATOM 516 N ALA A 34 -12.980 2.291 -0.166 1.00 0.00 N ATOM 517 CA ALA A 34 -14.271 2.013 0.449 1.00 0.00 C ATOM 518 C ALA A 34 -15.375 2.778 -0.265 1.00 0.00 C ATOM 519 O ALA A 34 -16.561 2.504 -0.079 1.00 0.00 O ATOM 520 CB ALA A 34 -14.247 2.380 1.923 1.00 0.00 C ATOM 0 H ALA A 34 -12.336 2.812 0.429 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.472 0.945 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -15.219 2.166 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.480 1.796 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -14.025 3.442 2.030 1.00 0.00 H new ATOM 526 N ASN A 35 -14.970 3.740 -1.083 1.00 0.00 N ATOM 527 CA ASN A 35 -15.907 4.536 -1.858 1.00 0.00 C ATOM 528 C ASN A 35 -16.025 4.003 -3.284 1.00 0.00 C ATOM 529 O ASN A 35 -16.570 4.672 -4.164 1.00 0.00 O ATOM 530 CB ASN A 35 -15.490 6.013 -1.850 1.00 0.00 C ATOM 531 CG ASN A 35 -14.079 6.241 -2.353 1.00 0.00 C ATOM 532 OD1 ASN A 35 -13.107 6.023 -1.627 1.00 0.00 O ATOM 533 ND2 ASN A 35 -13.953 6.722 -3.575 1.00 0.00 N ATOM 0 H ASN A 35 -13.991 3.988 -1.226 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.891 4.459 -1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -16.185 6.583 -2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.573 6.401 -0.835 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.027 6.927 -3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.782 6.889 -4.145 1.00 0.00 H new ATOM 540 N GLY A 36 -15.497 2.803 -3.513 1.00 0.00 N ATOM 541 CA GLY A 36 -15.727 2.116 -4.771 1.00 0.00 C ATOM 542 C GLY A 36 -14.581 2.225 -5.757 1.00 0.00 C ATOM 543 O GLY A 36 -14.354 1.312 -6.551 1.00 0.00 O ATOM 0 H GLY A 36 -14.914 2.295 -2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.917 1.062 -4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.628 2.519 -5.233 1.00 0.00 H new ATOM 547 N VAL A 37 -13.854 3.331 -5.707 1.00 0.00 N ATOM 548 CA VAL A 37 -12.805 3.600 -6.685 1.00 0.00 C ATOM 549 C VAL A 37 -11.642 2.618 -6.554 1.00 0.00 C ATOM 550 O VAL A 37 -11.238 2.261 -5.448 1.00 0.00 O ATOM 551 CB VAL A 37 -12.265 5.036 -6.537 1.00 0.00 C ATOM 552 CG1 VAL A 37 -11.239 5.354 -7.612 1.00 0.00 C ATOM 553 CG2 VAL A 37 -13.402 6.037 -6.572 1.00 0.00 C ATOM 0 H VAL A 37 -13.969 4.058 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.258 3.479 -7.669 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.767 5.108 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.878 6.374 -7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.402 4.660 -7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.700 5.257 -8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.002 7.046 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.931 5.954 -7.522 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.092 5.833 -5.753 1.00 0.00 H new ATOM 563 N LYS A 38 -11.121 2.180 -7.689 1.00 0.00 N ATOM 564 CA LYS A 38 -9.923 1.362 -7.709 1.00 0.00 C ATOM 565 C LYS A 38 -8.740 2.218 -8.121 1.00 0.00 C ATOM 566 O LYS A 38 -8.742 2.824 -9.193 1.00 0.00 O ATOM 567 CB LYS A 38 -10.069 0.189 -8.675 1.00 0.00 C ATOM 568 CG LYS A 38 -8.904 -0.793 -8.622 1.00 0.00 C ATOM 569 CD LYS A 38 -9.068 -1.926 -9.626 1.00 0.00 C ATOM 570 CE LYS A 38 -10.326 -2.737 -9.360 1.00 0.00 C ATOM 571 NZ LYS A 38 -10.404 -3.944 -10.227 1.00 0.00 N ATOM 0 H LYS A 38 -11.512 2.379 -8.610 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.764 0.958 -6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.993 -0.344 -8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.163 0.575 -9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.973 -0.263 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.824 -1.208 -7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.107 -1.515 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.197 -2.580 -9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.347 -3.040 -8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.203 -2.112 -9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.276 -4.469 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.410 -3.654 -11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.581 -4.554 -10.048 1.00 0.00 H new ATOM 585 N ILE A 39 -7.738 2.261 -7.273 1.00 0.00 N ATOM 586 CA ILE A 39 -6.579 3.108 -7.507 1.00 0.00 C ATOM 587 C ILE A 39 -5.306 2.277 -7.590 1.00 0.00 C ATOM 588 O ILE A 39 -5.273 1.123 -7.155 1.00 0.00 O ATOM 589 CB ILE A 39 -6.410 4.179 -6.404 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.253 3.521 -5.030 1.00 0.00 C ATOM 591 CG2 ILE A 39 -7.591 5.142 -6.408 1.00 0.00 C ATOM 592 CD1 ILE A 39 -5.964 4.500 -3.911 1.00 0.00 C ATOM 0 H ILE A 39 -7.698 1.719 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.751 3.613 -8.457 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.504 4.747 -6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.165 2.973 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.446 2.790 -5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.455 5.888 -5.625 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.652 5.639 -7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.512 4.589 -6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.866 3.959 -2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.036 5.031 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.782 5.216 -3.834 1.00 0.00 H new ATOM 604 N ALA A 40 -4.270 2.864 -8.159 1.00 0.00 N ATOM 605 CA ALA A 40 -2.972 2.221 -8.242 1.00 0.00 C ATOM 606 C ALA A 40 -1.884 3.219 -7.891 1.00 0.00 C ATOM 607 O ALA A 40 -1.583 4.120 -8.672 1.00 0.00 O ATOM 608 CB ALA A 40 -2.742 1.647 -9.634 1.00 0.00 C ATOM 0 H ALA A 40 -4.304 3.795 -8.575 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.942 1.396 -7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.763 1.170 -9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.514 0.910 -9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.784 2.450 -10.370 1.00 0.00 H new ATOM 614 N VAL A 41 -1.315 3.074 -6.708 1.00 0.00 N ATOM 615 CA VAL A 41 -0.255 3.968 -6.272 1.00 0.00 C ATOM 616 C VAL A 41 1.064 3.222 -6.278 1.00 0.00 C ATOM 617 O VAL A 41 1.099 2.024 -6.026 1.00 0.00 O ATOM 618 CB VAL A 41 -0.509 4.543 -4.861 1.00 0.00 C ATOM 619 CG1 VAL A 41 -1.893 5.164 -4.762 1.00 0.00 C ATOM 620 CG2 VAL A 41 -0.310 3.479 -3.797 1.00 0.00 C ATOM 0 H VAL A 41 -1.566 2.350 -6.035 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.228 4.807 -6.968 1.00 0.00 H new ATOM 0 HB VAL A 41 0.222 5.333 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.043 5.560 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.982 5.972 -5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.648 4.405 -4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.495 3.910 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.005 2.657 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.713 3.105 -3.843 1.00 0.00 H new ATOM 630 N ALA A 42 2.145 3.905 -6.587 1.00 0.00 N ATOM 631 CA ALA A 42 3.441 3.269 -6.526 1.00 0.00 C ATOM 632 C ALA A 42 3.880 3.145 -5.078 1.00 0.00 C ATOM 633 O ALA A 42 3.966 4.141 -4.358 1.00 0.00 O ATOM 634 CB ALA A 42 4.472 4.036 -7.327 1.00 0.00 C ATOM 0 H ALA A 42 2.153 4.883 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 42 3.357 2.275 -6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.435 3.530 -7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.160 4.084 -8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.564 5.046 -6.929 1.00 0.00 H new ATOM 640 N ALA A 43 4.148 1.916 -4.663 1.00 0.00 N ATOM 641 CA ALA A 43 4.588 1.637 -3.295 1.00 0.00 C ATOM 642 C ALA A 43 5.935 2.282 -3.047 1.00 0.00 C ATOM 643 O ALA A 43 6.329 2.531 -1.912 1.00 0.00 O ATOM 644 CB ALA A 43 4.682 0.142 -3.059 1.00 0.00 C ATOM 0 H ALA A 43 4.069 1.089 -5.254 1.00 0.00 H new ATOM 0 HA ALA A 43 3.855 2.052 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.011 -0.045 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.704 -0.313 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.399 -0.292 -3.756 1.00 0.00 H new ATOM 650 N ASP A 44 6.611 2.541 -4.154 1.00 0.00 N ATOM 651 CA ASP A 44 7.912 3.211 -4.178 1.00 0.00 C ATOM 652 C ASP A 44 7.886 4.507 -3.365 1.00 0.00 C ATOM 653 O ASP A 44 8.879 4.889 -2.748 1.00 0.00 O ATOM 654 CB ASP A 44 8.300 3.507 -5.632 1.00 0.00 C ATOM 655 CG ASP A 44 9.684 4.113 -5.788 1.00 0.00 C ATOM 656 OD1 ASP A 44 9.845 5.335 -5.576 1.00 0.00 O ATOM 657 OD2 ASP A 44 10.609 3.374 -6.184 1.00 0.00 O ATOM 0 H ASP A 44 6.269 2.289 -5.081 1.00 0.00 H new ATOM 0 HA ASP A 44 8.652 2.551 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.252 2.582 -6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.565 4.187 -6.063 1.00 0.00 H new ATOM 662 N LYS A 45 6.740 5.178 -3.352 1.00 0.00 N ATOM 663 CA LYS A 45 6.620 6.433 -2.627 1.00 0.00 C ATOM 664 C LYS A 45 5.607 6.313 -1.495 1.00 0.00 C ATOM 665 O LYS A 45 5.006 7.298 -1.070 1.00 0.00 O ATOM 666 CB LYS A 45 6.272 7.588 -3.586 1.00 0.00 C ATOM 667 CG LYS A 45 5.100 7.326 -4.535 1.00 0.00 C ATOM 668 CD LYS A 45 3.748 7.516 -3.859 1.00 0.00 C ATOM 669 CE LYS A 45 3.583 8.927 -3.305 1.00 0.00 C ATOM 670 NZ LYS A 45 3.624 9.966 -4.373 1.00 0.00 N ATOM 0 H LYS A 45 5.891 4.877 -3.830 1.00 0.00 H new ATOM 0 HA LYS A 45 7.585 6.663 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.045 8.474 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.154 7.821 -4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.172 7.998 -5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.170 6.309 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.952 7.312 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.642 6.793 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.635 8.996 -2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.372 9.124 -2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.390 10.893 -3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.577 10.001 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.933 9.730 -5.114 1.00 0.00 H new ATOM 684 N LEU A 46 5.436 5.098 -1.004 1.00 0.00 N ATOM 685 CA LEU A 46 4.492 4.819 0.061 1.00 0.00 C ATOM 686 C LEU A 46 5.220 4.719 1.404 1.00 0.00 C ATOM 687 O LEU A 46 6.450 4.763 1.456 1.00 0.00 O ATOM 688 CB LEU A 46 3.795 3.507 -0.263 1.00 0.00 C ATOM 689 CG LEU A 46 2.341 3.383 0.171 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.491 4.499 -0.428 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.830 2.026 -0.264 1.00 0.00 C ATOM 0 H LEU A 46 5.947 4.279 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 46 3.761 5.624 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.843 3.353 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.359 2.698 0.201 1.00 0.00 H new ATOM 0 HG LEU A 46 2.273 3.477 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.458 4.385 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.872 5.465 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.535 4.446 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.788 1.916 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.905 1.939 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.428 1.245 0.205 1.00 0.00 H new ATOM 703 N SER A 47 4.462 4.598 2.486 1.00 0.00 N ATOM 704 CA SER A 47 5.043 4.465 3.815 1.00 0.00 C ATOM 705 C SER A 47 5.498 3.030 4.057 1.00 0.00 C ATOM 706 O SER A 47 4.786 2.069 3.764 1.00 0.00 O ATOM 707 CB SER A 47 4.032 4.898 4.874 1.00 0.00 C ATOM 708 OG SER A 47 3.551 6.199 4.600 1.00 0.00 O ATOM 0 H SER A 47 3.442 4.589 2.469 1.00 0.00 H new ATOM 0 HA SER A 47 5.916 5.113 3.884 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.200 4.195 4.899 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.498 4.877 5.859 1.00 0.00 H new ATOM 0 HG SER A 47 2.899 6.160 3.870 1.00 0.00 H new ATOM 714 N ASN A 48 6.712 2.915 4.587 1.00 0.00 N ATOM 715 CA ASN A 48 7.397 1.634 4.758 1.00 0.00 C ATOM 716 C ASN A 48 6.561 0.646 5.550 1.00 0.00 C ATOM 717 O ASN A 48 6.610 -0.552 5.292 1.00 0.00 O ATOM 718 CB ASN A 48 8.719 1.823 5.491 1.00 0.00 C ATOM 719 CG ASN A 48 9.702 2.734 4.772 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.318 3.658 4.057 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.987 2.476 4.962 1.00 0.00 N ATOM 0 H ASN A 48 7.255 3.715 4.913 1.00 0.00 H new ATOM 0 HA ASN A 48 7.568 1.240 3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.518 2.232 6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.184 0.848 5.637 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.695 3.053 4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.268 1.701 5.562 1.00 0.00 H new ATOM 728 N GLU A 49 5.811 1.151 6.520 1.00 0.00 N ATOM 729 CA GLU A 49 4.986 0.327 7.357 1.00 0.00 C ATOM 730 C GLU A 49 3.870 -0.293 6.528 1.00 0.00 C ATOM 731 O GLU A 49 3.588 -1.495 6.624 1.00 0.00 O ATOM 732 CB GLU A 49 4.439 1.217 8.457 1.00 0.00 C ATOM 733 CG GLU A 49 3.327 0.610 9.258 1.00 0.00 C ATOM 734 CD GLU A 49 3.783 -0.525 10.156 1.00 0.00 C ATOM 735 OE1 GLU A 49 4.685 -0.296 10.991 1.00 0.00 O ATOM 736 OE2 GLU A 49 3.237 -1.644 10.046 1.00 0.00 O ATOM 0 H GLU A 49 5.766 2.146 6.740 1.00 0.00 H new ATOM 0 HA GLU A 49 5.552 -0.495 7.796 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.254 1.480 9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.083 2.146 8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.865 1.385 9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.559 0.240 8.578 1.00 0.00 H new ATOM 743 N ASP A 50 3.262 0.534 5.687 1.00 0.00 N ATOM 744 CA ASP A 50 2.263 0.105 4.764 1.00 0.00 C ATOM 745 C ASP A 50 2.830 -0.978 3.859 1.00 0.00 C ATOM 746 O ASP A 50 2.164 -1.985 3.591 1.00 0.00 O ATOM 747 CB ASP A 50 1.806 1.312 3.952 1.00 0.00 C ATOM 748 CG ASP A 50 1.242 2.427 4.815 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.976 2.938 5.689 1.00 0.00 O ATOM 750 OD2 ASP A 50 0.064 2.796 4.626 1.00 0.00 O ATOM 0 H ASP A 50 3.464 1.533 5.640 1.00 0.00 H new ATOM 0 HA ASP A 50 1.409 -0.315 5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.648 1.696 3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.048 0.995 3.236 1.00 0.00 H new ATOM 755 N LEU A 51 4.088 -0.808 3.422 1.00 0.00 N ATOM 756 CA LEU A 51 4.714 -1.813 2.590 1.00 0.00 C ATOM 757 C LEU A 51 4.976 -3.071 3.389 1.00 0.00 C ATOM 758 O LEU A 51 4.745 -4.160 2.897 1.00 0.00 O ATOM 759 CB LEU A 51 6.016 -1.308 1.960 1.00 0.00 C ATOM 760 CG LEU A 51 5.851 -0.326 0.798 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.443 -0.393 0.233 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.196 1.086 1.226 1.00 0.00 C ATOM 0 H LEU A 51 4.670 0.003 3.632 1.00 0.00 H new ATOM 0 HA LEU A 51 4.022 -2.039 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.612 -0.828 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.585 -2.168 1.607 1.00 0.00 H new ATOM 0 HG LEU A 51 6.547 -0.615 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.348 0.313 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.244 -1.402 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.725 -0.138 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.070 1.763 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.536 1.392 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.231 1.120 1.567 1.00 0.00 H new ATOM 774 N ALA A 52 5.397 -2.914 4.639 1.00 0.00 N ATOM 775 CA ALA A 52 5.727 -4.055 5.483 1.00 0.00 C ATOM 776 C ALA A 52 4.515 -4.953 5.633 1.00 0.00 C ATOM 777 O ALA A 52 4.630 -6.174 5.741 1.00 0.00 O ATOM 778 CB ALA A 52 6.223 -3.589 6.844 1.00 0.00 C ATOM 0 H ALA A 52 5.518 -2.007 5.090 1.00 0.00 H new ATOM 0 HA ALA A 52 6.528 -4.623 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.464 -4.456 7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.115 -2.975 6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.446 -3.002 7.333 1.00 0.00 H new ATOM 784 N TYR A 53 3.355 -4.325 5.622 1.00 0.00 N ATOM 785 CA TYR A 53 2.096 -5.038 5.684 1.00 0.00 C ATOM 786 C TYR A 53 1.771 -5.727 4.349 1.00 0.00 C ATOM 787 O TYR A 53 1.467 -6.929 4.308 1.00 0.00 O ATOM 788 CB TYR A 53 0.997 -4.049 6.063 1.00 0.00 C ATOM 789 CG TYR A 53 -0.395 -4.589 5.877 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.907 -5.571 6.713 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.192 -4.119 4.846 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.175 -6.078 6.518 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.458 -4.612 4.645 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.950 -5.596 5.485 1.00 0.00 C ATOM 795 OH TYR A 53 -4.212 -6.106 5.287 1.00 0.00 O ATOM 0 H TYR A 53 3.260 -3.311 5.570 1.00 0.00 H new ATOM 0 HA TYR A 53 2.167 -5.823 6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.127 -3.757 7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.110 -3.146 5.462 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.304 -5.944 7.528 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.811 -3.351 4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.558 -6.848 7.171 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.066 -4.234 3.836 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.628 -5.660 4.520 1.00 0.00 H new ATOM 805 N VAL A 54 1.863 -4.988 3.252 1.00 0.00 N ATOM 806 CA VAL A 54 1.528 -5.554 1.947 1.00 0.00 C ATOM 807 C VAL A 54 2.553 -6.608 1.521 1.00 0.00 C ATOM 808 O VAL A 54 2.219 -7.543 0.791 1.00 0.00 O ATOM 809 CB VAL A 54 1.335 -4.458 0.871 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.415 -3.421 0.944 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.235 -5.047 -0.532 1.00 0.00 C ATOM 0 H VAL A 54 2.161 -4.013 3.235 1.00 0.00 H new ATOM 0 HA VAL A 54 0.567 -6.059 2.047 1.00 0.00 H new ATOM 0 HB VAL A 54 0.385 -3.968 1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.248 -2.667 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.399 -2.947 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.384 -3.893 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.100 -4.243 -1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.149 -5.594 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.384 -5.726 -0.582 1.00 0.00 H new ATOM 821 N GLU A 55 3.791 -6.471 1.994 1.00 0.00 N ATOM 822 CA GLU A 55 4.777 -7.550 1.886 1.00 0.00 C ATOM 823 C GLU A 55 4.198 -8.844 2.441 1.00 0.00 C ATOM 824 O GLU A 55 4.408 -9.920 1.889 1.00 0.00 O ATOM 825 CB GLU A 55 6.054 -7.241 2.673 1.00 0.00 C ATOM 826 CG GLU A 55 6.771 -5.978 2.247 1.00 0.00 C ATOM 827 CD GLU A 55 8.076 -5.769 2.990 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.039 -5.385 4.176 1.00 0.00 O ATOM 829 OE2 GLU A 55 9.148 -5.976 2.394 1.00 0.00 O ATOM 0 H GLU A 55 4.136 -5.628 2.454 1.00 0.00 H new ATOM 0 HA GLU A 55 5.021 -7.648 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.802 -7.160 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.739 -8.083 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.970 -6.021 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.120 -5.120 2.416 1.00 0.00 H new ATOM 836 N LYS A 56 3.462 -8.731 3.541 1.00 0.00 N ATOM 837 CA LYS A 56 2.919 -9.900 4.214 1.00 0.00 C ATOM 838 C LYS A 56 1.690 -10.423 3.484 1.00 0.00 C ATOM 839 O LYS A 56 1.384 -11.614 3.539 1.00 0.00 O ATOM 840 CB LYS A 56 2.593 -9.579 5.677 1.00 0.00 C ATOM 841 CG LYS A 56 3.810 -9.203 6.523 1.00 0.00 C ATOM 842 CD LYS A 56 4.913 -10.259 6.473 1.00 0.00 C ATOM 843 CE LYS A 56 5.841 -10.058 5.279 1.00 0.00 C ATOM 844 NZ LYS A 56 6.895 -11.101 5.207 1.00 0.00 N ATOM 0 H LYS A 56 3.229 -7.842 3.983 1.00 0.00 H new ATOM 0 HA LYS A 56 3.676 -10.684 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.877 -8.758 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.105 -10.444 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.209 -8.250 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.498 -9.059 7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.494 -10.221 7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.464 -11.251 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.256 -10.071 4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.308 -9.075 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.502 -10.925 4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.471 -11.073 6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.451 -12.037 5.117 1.00 0.00 H new ATOM 858 N ILE A 57 0.978 -9.530 2.805 1.00 0.00 N ATOM 859 CA ILE A 57 -0.135 -9.948 1.949 1.00 0.00 C ATOM 860 C ILE A 57 0.377 -10.732 0.741 1.00 0.00 C ATOM 861 O ILE A 57 -0.179 -11.767 0.371 1.00 0.00 O ATOM 862 CB ILE A 57 -0.949 -8.747 1.418 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.342 -7.809 2.556 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.194 -9.236 0.679 1.00 0.00 C ATOM 865 CD1 ILE A 57 -2.034 -6.554 2.076 1.00 0.00 C ATOM 0 H ILE A 57 1.145 -8.524 2.827 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.778 -10.570 2.571 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.322 -8.192 0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.000 -8.339 3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.449 -7.533 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.758 -8.379 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.896 -9.863 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.818 -9.815 1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.288 -5.929 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.369 -6.004 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.944 -6.823 1.540 1.00 0.00 H new ATOM 877 N THR A 58 1.455 -10.241 0.145 1.00 0.00 N ATOM 878 CA THR A 58 1.929 -10.766 -1.128 1.00 0.00 C ATOM 879 C THR A 58 2.936 -11.894 -0.954 1.00 0.00 C ATOM 880 O THR A 58 2.832 -12.940 -1.592 1.00 0.00 O ATOM 881 CB THR A 58 2.576 -9.647 -1.962 1.00 0.00 C ATOM 882 OG1 THR A 58 3.532 -8.937 -1.165 1.00 0.00 O ATOM 883 CG2 THR A 58 1.529 -8.681 -2.485 1.00 0.00 C ATOM 0 H THR A 58 2.018 -9.479 0.523 1.00 0.00 H new ATOM 0 HA THR A 58 1.056 -11.166 -1.643 1.00 0.00 H new ATOM 0 HB THR A 58 3.078 -10.105 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.063 -8.326 -0.559 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.014 -7.900 -3.071 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.820 -9.219 -3.114 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.000 -8.229 -1.646 1.00 0.00 H new ATOM 891 N GLY A 59 3.910 -11.678 -0.091 1.00 0.00 N ATOM 892 CA GLY A 59 4.948 -12.660 0.107 1.00 0.00 C ATOM 893 C GLY A 59 6.301 -12.147 -0.333 1.00 0.00 C ATOM 894 O GLY A 59 7.333 -12.668 0.092 1.00 0.00 O ATOM 0 H GLY A 59 4.001 -10.837 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.990 -12.937 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.704 -13.564 -0.451 1.00 0.00 H new ATOM 898 N PHE A 60 6.309 -11.115 -1.171 1.00 0.00 N ATOM 899 CA PHE A 60 7.564 -10.560 -1.658 1.00 0.00 C ATOM 900 C PHE A 60 7.836 -9.215 -0.997 1.00 0.00 C ATOM 901 O PHE A 60 6.911 -8.504 -0.604 1.00 0.00 O ATOM 902 CB PHE A 60 7.581 -10.457 -3.195 1.00 0.00 C ATOM 903 CG PHE A 60 6.796 -9.321 -3.801 1.00 0.00 C ATOM 904 CD1 PHE A 60 5.411 -9.329 -3.813 1.00 0.00 C ATOM 905 CD2 PHE A 60 7.458 -8.261 -4.400 1.00 0.00 C ATOM 906 CE1 PHE A 60 4.704 -8.300 -4.404 1.00 0.00 C ATOM 907 CE2 PHE A 60 6.756 -7.228 -4.989 1.00 0.00 C ATOM 908 CZ PHE A 60 5.377 -7.248 -4.991 1.00 0.00 C ATOM 0 H PHE A 60 5.471 -10.652 -1.523 1.00 0.00 H new ATOM 0 HA PHE A 60 8.369 -11.241 -1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.618 -10.367 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.199 -11.392 -3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.878 -10.149 -3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.538 -8.243 -4.406 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.624 -8.319 -4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.286 -6.406 -5.447 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.825 -6.442 -5.451 1.00 0.00 H new ATOM 918 N SER A 61 9.110 -8.889 -0.864 1.00 0.00 N ATOM 919 CA SER A 61 9.535 -7.743 -0.080 1.00 0.00 C ATOM 920 C SER A 61 9.443 -6.451 -0.877 1.00 0.00 C ATOM 921 O SER A 61 9.843 -6.392 -2.042 1.00 0.00 O ATOM 922 CB SER A 61 10.968 -7.953 0.409 1.00 0.00 C ATOM 923 OG SER A 61 11.378 -6.909 1.278 1.00 0.00 O ATOM 0 H SER A 61 9.875 -9.408 -1.294 1.00 0.00 H new ATOM 0 HA SER A 61 8.864 -7.655 0.774 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.040 -8.909 0.927 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.642 -8.002 -0.446 1.00 0.00 H new ATOM 0 HG SER A 61 10.610 -6.598 1.801 1.00 0.00 H new ATOM 929 N LEU A 62 8.936 -5.410 -0.228 1.00 0.00 N ATOM 930 CA LEU A 62 8.808 -4.108 -0.853 1.00 0.00 C ATOM 931 C LEU A 62 9.847 -3.158 -0.283 1.00 0.00 C ATOM 932 O LEU A 62 9.706 -1.946 -0.378 1.00 0.00 O ATOM 933 CB LEU A 62 7.392 -3.531 -0.664 1.00 0.00 C ATOM 934 CG LEU A 62 6.259 -4.468 -1.089 1.00 0.00 C ATOM 935 CD1 LEU A 62 4.936 -3.733 -1.093 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.535 -5.067 -2.456 1.00 0.00 C ATOM 0 H LEU A 62 8.606 -5.447 0.736 1.00 0.00 H new ATOM 0 HA LEU A 62 8.977 -4.226 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.257 -3.272 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.313 -2.605 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 62 6.203 -5.281 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.142 -4.415 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.726 -3.356 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.986 -2.898 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.715 -5.729 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.623 -4.268 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.465 -5.635 -2.423 1.00 0.00 H new ATOM 948 N GLU A 63 10.894 -3.729 0.309 1.00 0.00 N ATOM 949 CA GLU A 63 11.995 -2.973 0.874 1.00 0.00 C ATOM 950 C GLU A 63 12.609 -2.040 -0.168 1.00 0.00 C ATOM 951 O GLU A 63 12.874 -0.868 0.104 1.00 0.00 O ATOM 952 CB GLU A 63 13.030 -3.971 1.362 1.00 0.00 C ATOM 953 CG GLU A 63 13.753 -3.563 2.622 1.00 0.00 C ATOM 954 CD GLU A 63 12.815 -3.143 3.733 1.00 0.00 C ATOM 955 OE1 GLU A 63 11.989 -3.970 4.170 1.00 0.00 O ATOM 956 OE2 GLU A 63 12.909 -1.983 4.187 1.00 0.00 O ATOM 0 H GLU A 63 10.997 -4.739 0.408 1.00 0.00 H new ATOM 0 HA GLU A 63 11.640 -2.351 1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.539 -4.928 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.765 -4.128 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.367 -4.395 2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.430 -2.740 2.395 1.00 0.00 H new ATOM 963 N LYS A 64 12.807 -2.573 -1.366 1.00 0.00 N ATOM 964 CA LYS A 64 13.362 -1.809 -2.480 1.00 0.00 C ATOM 965 C LYS A 64 12.406 -0.700 -2.922 1.00 0.00 C ATOM 966 O LYS A 64 12.790 0.210 -3.652 1.00 0.00 O ATOM 967 CB LYS A 64 13.657 -2.746 -3.655 1.00 0.00 C ATOM 968 CG LYS A 64 12.427 -3.486 -4.156 1.00 0.00 C ATOM 969 CD LYS A 64 12.765 -4.559 -5.188 1.00 0.00 C ATOM 970 CE LYS A 64 13.097 -3.977 -6.557 1.00 0.00 C ATOM 971 NZ LYS A 64 14.441 -3.340 -6.601 1.00 0.00 N ATOM 0 H LYS A 64 12.589 -3.543 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 64 14.288 -1.342 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.083 -2.167 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.411 -3.472 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.917 -3.948 -3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.732 -2.771 -4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.612 -5.145 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.922 -5.243 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.050 -4.769 -7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.341 -3.239 -6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.889 -3.537 -7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.342 -2.312 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.033 -3.725 -5.837 1.00 0.00 H new ATOM 985 N PHE A 65 11.163 -0.784 -2.470 1.00 0.00 N ATOM 986 CA PHE A 65 10.148 0.205 -2.817 1.00 0.00 C ATOM 987 C PHE A 65 9.876 1.129 -1.638 1.00 0.00 C ATOM 988 O PHE A 65 9.058 2.032 -1.726 1.00 0.00 O ATOM 989 CB PHE A 65 8.846 -0.480 -3.243 1.00 0.00 C ATOM 990 CG PHE A 65 9.001 -1.393 -4.428 1.00 0.00 C ATOM 991 CD1 PHE A 65 9.340 -0.886 -5.670 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.813 -2.760 -4.293 1.00 0.00 C ATOM 993 CE1 PHE A 65 9.487 -1.723 -6.758 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.960 -3.603 -5.378 1.00 0.00 C ATOM 995 CZ PHE A 65 9.299 -3.084 -6.612 1.00 0.00 C ATOM 0 H PHE A 65 10.830 -1.530 -1.859 1.00 0.00 H new ATOM 0 HA PHE A 65 10.527 0.794 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.456 -1.054 -2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.105 0.284 -3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.491 0.177 -5.790 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.549 -3.170 -3.330 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.749 -1.314 -7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.810 -4.666 -5.261 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.417 -3.741 -7.461 1.00 0.00 H new ATOM 1005 N LYS A 66 10.561 0.900 -0.530 1.00 0.00 N ATOM 1006 CA LYS A 66 10.359 1.718 0.655 1.00 0.00 C ATOM 1007 C LYS A 66 11.258 2.946 0.611 1.00 0.00 C ATOM 1008 O LYS A 66 11.954 3.178 -0.382 1.00 0.00 O ATOM 1009 CB LYS A 66 10.626 0.900 1.922 1.00 0.00 C ATOM 1010 CG LYS A 66 9.644 -0.246 2.127 1.00 0.00 C ATOM 1011 CD LYS A 66 9.997 -1.083 3.343 1.00 0.00 C ATOM 1012 CE LYS A 66 9.096 -2.301 3.457 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.482 -3.178 4.593 1.00 0.00 N ATOM 0 H LYS A 66 11.256 0.161 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 66 9.321 2.051 0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.638 0.497 1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.585 1.562 2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.637 0.155 2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.635 -0.880 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.037 -1.403 3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.906 -0.476 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.063 -1.977 3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.139 -2.871 2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.773 -3.931 4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.412 -3.604 4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.532 -2.614 5.466 1.00 0.00 H new