USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 748 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 53 HIS : no HE2:sc= -1.73! C(o=-0.98!,f=-2.8!) USER MOD Set 1.2: A 94 SER OG : rot 173:sc= 0.75 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 0.722 K(o=2,f=-4.7!) USER MOD Set 2.2: A 119 THR OG1 : rot 81:sc= 1.23 USER MOD Set 3.1: A 80 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 91 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 64 MET CE :methyl 172:sc= -0.044 (180deg=-0.158) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.1 K(o=1.1,f=-0.43) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.04 K(o=2.4,f=-5.3!) USER MOD Set 5.2: A 40 SER OG : rot -106:sc= 1.31 USER MOD Set 6.1: A 22 TYR OH : rot -134:sc= 0.807 USER MOD Set 6.2: A 102 HIS : no HE2:sc= -1.44 X(o=0.93,f=0.77) USER MOD Set 6.3: A 105 SER OG : rot -131:sc= 1.56 USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 1.12 (180deg=0.996) USER MOD Single : A 29 SER OG : rot 58:sc= 1.27 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.09) USER MOD Single : A 47 TYR OH : rot 154:sc= 1.25 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -2:sc= 0.0181 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -180:sc= 0.882 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.604) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.337 USER MOD Single : A 71 CYS SG : rot 100:sc= -1.53 USER MOD Single : A 73 CYS SG : rot 169:sc= 1.61 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 175:sc= -0.145 (180deg=-0.162) USER MOD Single : A 97 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 31:sc= 0.796 USER MOD Single : A 108 LYS NZ :NH3+ 146:sc= 1.21 (180deg=-0.0553) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -153:sc= 1.29 (180deg=0.588) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N ASP A 5 7.791 10.699 4.924 1.00 0.00 N ATOM 57 CA ASP A 5 6.731 10.408 3.956 1.00 0.00 C ATOM 58 C ASP A 5 7.328 10.417 2.550 1.00 0.00 C ATOM 59 O ASP A 5 8.332 11.094 2.316 1.00 0.00 O ATOM 60 CB ASP A 5 5.623 11.463 4.069 1.00 0.00 C ATOM 61 CG ASP A 5 4.508 11.197 3.048 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.628 10.354 3.323 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.538 11.806 1.957 1.00 0.00 O ATOM 0 HA ASP A 5 6.300 9.428 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.208 11.454 5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.042 12.456 3.905 1.00 0.00 H new ATOM 68 N LEU A 6 6.726 9.679 1.611 1.00 0.00 N ATOM 69 CA LEU A 6 7.216 9.550 0.242 1.00 0.00 C ATOM 70 C LEU A 6 7.355 10.897 -0.478 1.00 0.00 C ATOM 71 O LEU A 6 8.203 11.019 -1.363 1.00 0.00 O ATOM 72 CB LEU A 6 6.291 8.626 -0.572 1.00 0.00 C ATOM 73 CG LEU A 6 6.245 7.138 -0.168 1.00 0.00 C ATOM 74 CD1 LEU A 6 5.498 6.337 -1.242 1.00 0.00 C ATOM 75 CD2 LEU A 6 7.631 6.508 0.005 1.00 0.00 C ATOM 0 H LEU A 6 5.873 9.149 1.787 1.00 0.00 H new ATOM 0 HA LEU A 6 8.214 9.117 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.278 9.024 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.593 8.683 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 6 5.737 7.102 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.466 5.286 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.481 6.718 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.015 6.437 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.522 5.461 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.180 6.574 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.178 7.040 0.783 1.00 0.00 H new ATOM 87 N ALA A 7 6.567 11.916 -0.114 1.00 0.00 N ATOM 88 CA ALA A 7 6.665 13.243 -0.708 1.00 0.00 C ATOM 89 C ALA A 7 8.005 13.929 -0.403 1.00 0.00 C ATOM 90 O ALA A 7 8.401 14.837 -1.134 1.00 0.00 O ATOM 91 CB ALA A 7 5.504 14.116 -0.218 1.00 0.00 C ATOM 0 H ALA A 7 5.845 11.837 0.602 1.00 0.00 H new ATOM 0 HA ALA A 7 6.609 13.120 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.581 15.107 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.558 13.660 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.547 14.203 0.868 1.00 0.00 H new ATOM 97 N LEU A 8 8.698 13.527 0.670 1.00 0.00 N ATOM 98 CA LEU A 8 9.966 14.130 1.080 1.00 0.00 C ATOM 99 C LEU A 8 11.131 13.641 0.213 1.00 0.00 C ATOM 100 O LEU A 8 12.190 14.272 0.203 1.00 0.00 O ATOM 101 CB LEU A 8 10.270 13.815 2.558 1.00 0.00 C ATOM 102 CG LEU A 8 9.190 14.249 3.570 1.00 0.00 C ATOM 103 CD1 LEU A 8 9.661 13.919 4.991 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.858 15.744 3.485 1.00 0.00 C ATOM 0 H LEU A 8 8.390 12.769 1.280 1.00 0.00 H new ATOM 0 HA LEU A 8 9.862 15.207 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.424 12.740 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.209 14.298 2.828 1.00 0.00 H new ATOM 0 HG LEU A 8 8.281 13.700 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.899 14.225 5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.831 12.846 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.589 14.451 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.092 15.989 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.756 16.328 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.490 15.979 2.486 1.00 0.00 H new ATOM 116 N ILE A 9 10.971 12.506 -0.474 1.00 0.00 N ATOM 117 CA ILE A 9 12.029 11.870 -1.254 1.00 0.00 C ATOM 118 C ILE A 9 12.410 12.808 -2.421 1.00 0.00 C ATOM 119 O ILE A 9 11.504 13.378 -3.038 1.00 0.00 O ATOM 120 CB ILE A 9 11.540 10.482 -1.736 1.00 0.00 C ATOM 121 CG1 ILE A 9 11.202 9.588 -0.516 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.582 9.780 -2.624 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.627 8.220 -0.881 1.00 0.00 C ATOM 0 H ILE A 9 10.087 11.998 -0.502 1.00 0.00 H new ATOM 0 HA ILE A 9 12.924 11.705 -0.654 1.00 0.00 H new ATOM 0 HB ILE A 9 10.645 10.640 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.106 9.443 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.487 10.113 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.197 8.810 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.784 10.393 -3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.504 9.639 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.418 7.658 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.704 8.352 -1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.348 7.672 -1.488 1.00 0.00 H new ATOM 135 N PRO A 10 13.706 12.955 -2.773 1.00 0.00 N ATOM 136 CA PRO A 10 14.125 13.656 -3.984 1.00 0.00 C ATOM 137 C PRO A 10 13.585 12.905 -5.205 1.00 0.00 C ATOM 138 O PRO A 10 14.019 11.791 -5.509 1.00 0.00 O ATOM 139 CB PRO A 10 15.656 13.718 -3.935 1.00 0.00 C ATOM 140 CG PRO A 10 16.045 12.554 -3.024 1.00 0.00 C ATOM 141 CD PRO A 10 14.867 12.446 -2.057 1.00 0.00 C ATOM 0 HA PRO A 10 13.733 14.671 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.092 13.610 -4.928 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.004 14.671 -3.536 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.186 11.632 -3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.979 12.751 -2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.711 11.413 -1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 10 15.051 13.026 -1.152 1.00 0.00 H new ATOM 149 N ASP A 11 12.622 13.508 -5.901 1.00 0.00 N ATOM 150 CA ASP A 11 11.836 12.853 -6.946 1.00 0.00 C ATOM 151 C ASP A 11 12.617 12.630 -8.245 1.00 0.00 C ATOM 152 O ASP A 11 12.466 11.601 -8.905 1.00 0.00 O ATOM 153 CB ASP A 11 10.586 13.699 -7.207 1.00 0.00 C ATOM 154 CG ASP A 11 9.506 12.894 -7.920 1.00 0.00 C ATOM 155 OD1 ASP A 11 9.047 11.889 -7.336 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.048 13.306 -9.011 1.00 0.00 O ATOM 0 H ASP A 11 12.362 14.483 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 11 11.567 11.858 -6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.196 14.075 -6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.852 14.567 -7.810 1.00 0.00 H new ATOM 161 N VAL A 12 13.532 13.548 -8.571 1.00 0.00 N ATOM 162 CA VAL A 12 14.378 13.507 -9.762 1.00 0.00 C ATOM 163 C VAL A 12 15.786 13.902 -9.315 1.00 0.00 C ATOM 164 O VAL A 12 15.950 14.884 -8.590 1.00 0.00 O ATOM 165 CB VAL A 12 13.835 14.471 -10.844 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.717 14.487 -12.102 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.418 14.090 -11.289 1.00 0.00 C ATOM 0 H VAL A 12 13.708 14.368 -7.991 1.00 0.00 H new ATOM 0 HA VAL A 12 14.388 12.513 -10.208 1.00 0.00 H new ATOM 0 HB VAL A 12 13.834 15.455 -10.376 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.296 15.178 -12.833 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.724 14.809 -11.836 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.758 13.486 -12.531 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.074 14.792 -12.049 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.425 13.082 -11.703 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.746 14.125 -10.432 1.00 0.00 H new ATOM 177 N ASP A 13 16.793 13.140 -9.748 1.00 0.00 N ATOM 178 CA ASP A 13 18.200 13.493 -9.592 1.00 0.00 C ATOM 179 C ASP A 13 18.966 12.713 -10.654 1.00 0.00 C ATOM 180 O ASP A 13 18.993 11.482 -10.602 1.00 0.00 O ATOM 181 CB ASP A 13 18.723 13.142 -8.191 1.00 0.00 C ATOM 182 CG ASP A 13 20.169 13.630 -8.003 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.523 14.729 -8.485 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.953 12.922 -7.334 1.00 0.00 O ATOM 0 H ASP A 13 16.649 12.249 -10.223 1.00 0.00 H new ATOM 0 HA ASP A 13 18.333 14.568 -9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.081 13.596 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.677 12.063 -8.042 1.00 0.00 H new ATOM 189 N ILE A 14 19.499 13.406 -11.661 1.00 0.00 N ATOM 190 CA ILE A 14 20.110 12.799 -12.839 1.00 0.00 C ATOM 191 C ILE A 14 21.304 13.641 -13.310 1.00 0.00 C ATOM 192 O ILE A 14 21.491 14.780 -12.873 1.00 0.00 O ATOM 193 CB ILE A 14 19.076 12.623 -13.987 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.416 13.954 -14.429 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.003 11.582 -13.627 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.667 13.848 -15.763 1.00 0.00 C ATOM 0 H ILE A 14 19.517 14.426 -11.679 1.00 0.00 H new ATOM 0 HA ILE A 14 20.466 11.807 -12.562 1.00 0.00 H new ATOM 0 HB ILE A 14 19.646 12.257 -14.841 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.721 14.281 -13.655 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.185 14.722 -14.512 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.298 11.486 -14.453 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.478 10.619 -13.442 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.471 11.903 -12.731 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.230 14.815 -16.012 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.362 13.551 -16.548 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.876 13.103 -15.678 1.00 0.00 H new ATOM 266 N PHE A 20 24.594 8.239 -20.441 1.00 0.00 N ATOM 267 CA PHE A 20 24.677 7.529 -19.162 1.00 0.00 C ATOM 268 C PHE A 20 23.424 6.674 -18.987 1.00 0.00 C ATOM 269 O PHE A 20 22.398 6.933 -19.621 1.00 0.00 O ATOM 270 CB PHE A 20 24.800 8.512 -17.981 1.00 0.00 C ATOM 271 CG PHE A 20 25.892 9.571 -18.046 1.00 0.00 C ATOM 272 CD1 PHE A 20 27.192 9.256 -18.493 1.00 0.00 C ATOM 273 CD2 PHE A 20 25.614 10.882 -17.614 1.00 0.00 C ATOM 274 CE1 PHE A 20 28.183 10.251 -18.557 1.00 0.00 C ATOM 275 CE2 PHE A 20 26.615 11.868 -17.644 1.00 0.00 C ATOM 276 CZ PHE A 20 27.898 11.556 -18.126 1.00 0.00 C ATOM 0 HA PHE A 20 25.568 6.901 -19.171 1.00 0.00 H new ATOM 0 HB2 PHE A 20 23.844 9.024 -17.871 1.00 0.00 H new ATOM 0 HB3 PHE A 20 24.955 7.927 -17.074 1.00 0.00 H new ATOM 0 HD1 PHE A 20 27.428 8.244 -18.788 1.00 0.00 H new ATOM 0 HD2 PHE A 20 24.626 11.131 -17.257 1.00 0.00 H new ATOM 0 HE1 PHE A 20 29.165 10.011 -18.938 1.00 0.00 H new ATOM 0 HE2 PHE A 20 26.398 12.867 -17.296 1.00 0.00 H new ATOM 0 HZ PHE A 20 28.662 12.318 -18.165 1.00 0.00 H new ATOM 286 N LYS A 21 23.486 5.648 -18.133 1.00 0.00 N ATOM 287 CA LYS A 21 22.312 4.821 -17.861 1.00 0.00 C ATOM 288 C LYS A 21 21.384 5.533 -16.887 1.00 0.00 C ATOM 289 O LYS A 21 21.797 6.446 -16.167 1.00 0.00 O ATOM 290 CB LYS A 21 22.703 3.445 -17.289 1.00 0.00 C ATOM 291 CG LYS A 21 23.714 2.628 -18.107 1.00 0.00 C ATOM 292 CD LYS A 21 23.435 2.596 -19.620 1.00 0.00 C ATOM 293 CE LYS A 21 24.221 1.501 -20.361 1.00 0.00 C ATOM 294 NZ LYS A 21 25.686 1.534 -20.107 1.00 0.00 N ATOM 0 H LYS A 21 24.327 5.374 -17.625 1.00 0.00 H new ATOM 0 HA LYS A 21 21.798 4.660 -18.809 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.113 3.594 -16.290 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.796 2.852 -17.176 1.00 0.00 H new ATOM 0 HG2 LYS A 21 24.711 3.038 -17.943 1.00 0.00 H new ATOM 0 HG3 LYS A 21 23.724 1.605 -17.731 1.00 0.00 H new ATOM 0 HD2 LYS A 21 22.368 2.441 -19.782 1.00 0.00 H new ATOM 0 HD3 LYS A 21 23.685 3.566 -20.049 1.00 0.00 H new ATOM 0 HE2 LYS A 21 23.833 0.526 -20.066 1.00 0.00 H new ATOM 0 HE3 LYS A 21 24.045 1.603 -21.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.170 0.911 -20.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 26.036 2.507 -20.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 25.878 1.207 -19.138 1.00 0.00 H new ATOM 308 N TYR A 22 20.145 5.059 -16.824 1.00 0.00 N ATOM 309 CA TYR A 22 19.144 5.497 -15.870 1.00 0.00 C ATOM 310 C TYR A 22 18.302 4.284 -15.453 1.00 0.00 C ATOM 311 O TYR A 22 18.352 3.227 -16.099 1.00 0.00 O ATOM 312 CB TYR A 22 18.329 6.659 -16.474 1.00 0.00 C ATOM 313 CG TYR A 22 16.838 6.434 -16.589 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.361 5.488 -17.509 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.941 7.105 -15.737 1.00 0.00 C ATOM 316 CE1 TYR A 22 14.991 5.207 -17.584 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.561 6.855 -15.835 1.00 0.00 C ATOM 318 CZ TYR A 22 14.080 5.927 -16.783 1.00 0.00 C ATOM 319 OH TYR A 22 12.743 5.764 -16.968 1.00 0.00 O ATOM 0 H TYR A 22 19.803 4.336 -17.457 1.00 0.00 H new ATOM 0 HA TYR A 22 19.596 5.894 -14.961 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.496 7.548 -15.866 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.722 6.874 -17.468 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.052 4.975 -18.161 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.312 7.811 -15.009 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.632 4.440 -18.254 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.870 7.372 -15.186 1.00 0.00 H new ATOM 0 HH TYR A 22 12.306 6.641 -16.990 1.00 0.00 H new ATOM 329 N VAL A 23 17.520 4.441 -14.387 1.00 0.00 N ATOM 330 CA VAL A 23 16.549 3.463 -13.928 1.00 0.00 C ATOM 331 C VAL A 23 15.351 4.231 -13.348 1.00 0.00 C ATOM 332 O VAL A 23 15.492 5.374 -12.894 1.00 0.00 O ATOM 333 CB VAL A 23 17.237 2.486 -12.944 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.503 3.101 -11.564 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.467 1.171 -12.776 1.00 0.00 C ATOM 0 H VAL A 23 17.549 5.278 -13.805 1.00 0.00 H new ATOM 0 HA VAL A 23 16.164 2.837 -14.733 1.00 0.00 H new ATOM 0 HB VAL A 23 18.199 2.269 -13.409 1.00 0.00 H new ATOM 0 HG11 VAL A 23 17.987 2.363 -10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.153 3.969 -11.672 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.559 3.408 -11.114 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.997 0.526 -12.075 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.468 1.381 -12.393 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.388 0.670 -13.741 1.00 0.00 H new ATOM 345 N LEU A 24 14.184 3.586 -13.335 1.00 0.00 N ATOM 346 CA LEU A 24 12.946 4.127 -12.795 1.00 0.00 C ATOM 347 C LEU A 24 12.561 3.190 -11.663 1.00 0.00 C ATOM 348 O LEU A 24 12.339 2.004 -11.919 1.00 0.00 O ATOM 349 CB LEU A 24 11.875 4.143 -13.900 1.00 0.00 C ATOM 350 CG LEU A 24 10.543 4.824 -13.526 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.718 6.328 -13.295 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.535 4.619 -14.663 1.00 0.00 C ATOM 0 H LEU A 24 14.076 2.645 -13.712 1.00 0.00 H new ATOM 0 HA LEU A 24 13.049 5.151 -12.435 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.288 4.647 -14.774 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.667 3.114 -14.194 1.00 0.00 H new ATOM 0 HG LEU A 24 10.187 4.372 -12.600 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.757 6.770 -13.034 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.425 6.491 -12.482 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.097 6.794 -14.205 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.591 5.099 -14.403 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.926 5.060 -15.580 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.370 3.552 -14.815 1.00 0.00 H new ATOM 364 N ILE A 25 12.522 3.675 -10.422 1.00 0.00 N ATOM 365 CA ILE A 25 12.314 2.819 -9.258 1.00 0.00 C ATOM 366 C ILE A 25 11.134 3.334 -8.448 1.00 0.00 C ATOM 367 O ILE A 25 11.032 4.525 -8.160 1.00 0.00 O ATOM 368 CB ILE A 25 13.639 2.521 -8.496 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.478 2.052 -7.036 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.766 3.573 -8.586 1.00 0.00 C ATOM 371 CD1 ILE A 25 13.390 3.153 -5.977 1.00 0.00 C ATOM 0 H ILE A 25 12.633 4.664 -10.198 1.00 0.00 H new ATOM 0 HA ILE A 25 12.017 1.816 -9.565 1.00 0.00 H new ATOM 0 HB ILE A 25 13.976 1.673 -9.092 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.578 1.441 -6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.321 1.406 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.627 3.234 -8.009 1.00 0.00 H new ATOM 0 HG22 ILE A 25 15.057 3.706 -9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.411 4.522 -8.185 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.279 2.702 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.299 3.754 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.529 3.789 -6.184 1.00 0.00 H new ATOM 383 N ARG A 26 10.203 2.428 -8.156 1.00 0.00 N ATOM 384 CA ARG A 26 9.065 2.647 -7.283 1.00 0.00 C ATOM 385 C ARG A 26 9.542 2.563 -5.842 1.00 0.00 C ATOM 386 O ARG A 26 10.421 1.758 -5.533 1.00 0.00 O ATOM 387 CB ARG A 26 8.005 1.578 -7.590 1.00 0.00 C ATOM 388 CG ARG A 26 6.748 1.699 -6.710 1.00 0.00 C ATOM 389 CD ARG A 26 5.561 0.938 -7.311 1.00 0.00 C ATOM 390 NE ARG A 26 5.007 1.675 -8.456 1.00 0.00 N ATOM 391 CZ ARG A 26 4.147 1.237 -9.377 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.696 -0.016 -9.371 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.759 2.102 -10.301 1.00 0.00 N ATOM 0 H ARG A 26 10.227 1.484 -8.540 1.00 0.00 H new ATOM 0 HA ARG A 26 8.620 3.629 -7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.715 1.654 -8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.444 0.590 -7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.962 1.312 -5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.485 2.750 -6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.880 -0.054 -7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.790 0.797 -6.554 1.00 0.00 H new ATOM 0 HE ARG A 26 5.319 2.641 -8.559 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.008 -0.667 -8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.039 -0.325 -10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.117 3.057 -10.288 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.102 1.813 -11.026 1.00 0.00 H new ATOM 407 N VAL A 27 8.898 3.321 -4.966 1.00 0.00 N ATOM 408 CA VAL A 27 9.106 3.318 -3.532 1.00 0.00 C ATOM 409 C VAL A 27 7.717 3.165 -2.910 1.00 0.00 C ATOM 410 O VAL A 27 6.762 3.774 -3.401 1.00 0.00 O ATOM 411 CB VAL A 27 9.791 4.633 -3.098 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.288 4.505 -1.656 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.990 5.033 -3.972 1.00 0.00 C ATOM 0 H VAL A 27 8.181 3.987 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 27 9.760 2.508 -3.207 1.00 0.00 H new ATOM 0 HB VAL A 27 9.031 5.407 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.771 5.434 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.444 4.303 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.004 3.686 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.415 5.966 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.746 4.249 -3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.660 5.168 -5.002 1.00 0.00 H new ATOM 423 N HIS A 28 7.605 2.360 -1.853 1.00 0.00 N ATOM 424 CA HIS A 28 6.364 2.075 -1.133 1.00 0.00 C ATOM 425 C HIS A 28 6.417 2.762 0.233 1.00 0.00 C ATOM 426 O HIS A 28 7.496 2.887 0.821 1.00 0.00 O ATOM 427 CB HIS A 28 6.226 0.555 -0.968 1.00 0.00 C ATOM 428 CG HIS A 28 6.270 -0.209 -2.272 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.338 -0.157 -3.283 1.00 0.00 N ATOM 430 CD2 HIS A 28 7.246 -1.081 -2.675 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.732 -0.991 -4.258 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.901 -1.577 -3.939 1.00 0.00 N ATOM 0 H HIS A 28 8.408 1.869 -1.460 1.00 0.00 H new ATOM 0 HA HIS A 28 5.503 2.451 -1.685 1.00 0.00 H new ATOM 0 HB2 HIS A 28 7.026 0.196 -0.320 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.285 0.338 -0.463 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.131 -1.342 -2.114 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.186 -1.168 -5.173 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.428 -2.245 -4.502 1.00 0.00 H new ATOM 440 N SER A 29 5.263 3.213 0.731 1.00 0.00 N ATOM 441 CA SER A 29 5.156 4.017 1.946 1.00 0.00 C ATOM 442 C SER A 29 5.506 3.219 3.210 1.00 0.00 C ATOM 443 O SER A 29 4.642 2.625 3.856 1.00 0.00 O ATOM 444 CB SER A 29 3.765 4.646 2.079 1.00 0.00 C ATOM 445 OG SER A 29 3.450 5.486 0.991 1.00 0.00 O ATOM 0 H SER A 29 4.362 3.025 0.292 1.00 0.00 H new ATOM 0 HA SER A 29 5.891 4.816 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.017 3.856 2.153 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.715 5.220 3.004 1.00 0.00 H new ATOM 0 HG SER A 29 3.501 4.974 0.157 1.00 0.00 H new ATOM 451 N ALA A 30 6.790 3.221 3.559 1.00 0.00 N ATOM 452 CA ALA A 30 7.321 2.741 4.823 1.00 0.00 C ATOM 453 C ALA A 30 8.454 3.630 5.403 1.00 0.00 C ATOM 454 O ALA A 30 9.143 3.129 6.293 1.00 0.00 O ATOM 455 CB ALA A 30 7.719 1.263 4.681 1.00 0.00 C ATOM 0 H ALA A 30 7.518 3.574 2.938 1.00 0.00 H new ATOM 0 HA ALA A 30 6.531 2.815 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.118 0.901 5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.843 0.675 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.479 1.164 3.906 1.00 0.00 H new ATOM 461 N PRO A 31 8.708 4.903 4.991 1.00 0.00 N ATOM 462 CA PRO A 31 9.645 5.752 5.726 1.00 0.00 C ATOM 463 C PRO A 31 9.404 5.752 7.246 1.00 0.00 C ATOM 464 O PRO A 31 8.263 5.701 7.719 1.00 0.00 O ATOM 465 CB PRO A 31 9.512 7.161 5.153 1.00 0.00 C ATOM 466 CG PRO A 31 8.959 6.973 3.752 1.00 0.00 C ATOM 467 CD PRO A 31 8.181 5.660 3.851 1.00 0.00 C ATOM 0 HA PRO A 31 10.655 5.361 5.601 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.844 7.771 5.761 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.476 7.669 5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.313 7.801 3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.756 6.913 3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.117 5.857 3.984 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.286 5.085 2.931 1.00 0.00 H new ATOM 475 N ARG A 32 10.505 5.808 8.006 1.00 0.00 N ATOM 476 CA ARG A 32 10.598 5.649 9.463 1.00 0.00 C ATOM 477 C ARG A 32 9.707 4.521 10.010 1.00 0.00 C ATOM 478 O ARG A 32 9.237 4.598 11.145 1.00 0.00 O ATOM 479 CB ARG A 32 10.439 7.015 10.167 1.00 0.00 C ATOM 480 CG ARG A 32 11.599 7.965 9.807 1.00 0.00 C ATOM 481 CD ARG A 32 11.556 9.302 10.563 1.00 0.00 C ATOM 482 NE ARG A 32 12.686 10.161 10.165 1.00 0.00 N ATOM 483 CZ ARG A 32 12.717 11.502 10.158 1.00 0.00 C ATOM 484 NH1 ARG A 32 11.680 12.222 10.576 1.00 0.00 N ATOM 485 NH2 ARG A 32 13.807 12.124 9.720 1.00 0.00 N ATOM 0 H ARG A 32 11.420 5.978 7.589 1.00 0.00 H new ATOM 0 HA ARG A 32 11.602 5.300 9.706 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.491 7.468 9.878 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.406 6.869 11.247 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.545 7.467 10.020 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.577 8.162 8.735 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.615 9.812 10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.592 9.120 11.637 1.00 0.00 H new ATOM 0 HE ARG A 32 13.536 9.684 9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.837 11.755 10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.727 13.241 10.561 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.607 11.582 9.394 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.843 13.143 9.710 1.00 0.00 H new ATOM 499 N SER A 33 9.493 3.472 9.208 1.00 0.00 N ATOM 500 CA SER A 33 8.736 2.272 9.544 1.00 0.00 C ATOM 501 C SER A 33 7.328 2.571 10.090 1.00 0.00 C ATOM 502 O SER A 33 6.802 1.788 10.886 1.00 0.00 O ATOM 503 CB SER A 33 9.584 1.385 10.472 1.00 0.00 C ATOM 504 OG SER A 33 10.898 1.210 9.955 1.00 0.00 O ATOM 0 H SER A 33 9.865 3.441 8.259 1.00 0.00 H new ATOM 0 HA SER A 33 8.540 1.716 8.627 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.637 1.836 11.463 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.104 0.413 10.590 1.00 0.00 H new ATOM 0 HG SER A 33 11.417 0.644 10.564 1.00 0.00 H new ATOM 510 N GLY A 34 6.708 3.692 9.692 1.00 0.00 N ATOM 511 CA GLY A 34 5.435 4.112 10.274 1.00 0.00 C ATOM 512 C GLY A 34 4.689 5.175 9.473 1.00 0.00 C ATOM 513 O GLY A 34 3.836 5.856 10.044 1.00 0.00 O ATOM 0 H GLY A 34 7.070 4.318 8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.793 3.238 10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.618 4.495 11.278 1.00 0.00 H new ATOM 551 N ALA A 38 -0.074 3.312 2.560 1.00 0.00 N ATOM 552 CA ALA A 38 0.647 2.349 1.725 1.00 0.00 C ATOM 553 C ALA A 38 0.581 2.784 0.259 1.00 0.00 C ATOM 554 O ALA A 38 0.412 1.961 -0.645 1.00 0.00 O ATOM 555 CB ALA A 38 0.138 0.924 1.964 1.00 0.00 C ATOM 0 HA ALA A 38 1.700 2.335 2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.691 0.229 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.284 0.656 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.923 0.871 1.720 1.00 0.00 H new ATOM 561 N GLU A 39 0.672 4.095 0.030 1.00 0.00 N ATOM 562 CA GLU A 39 0.835 4.642 -1.308 1.00 0.00 C ATOM 563 C GLU A 39 2.212 4.257 -1.858 1.00 0.00 C ATOM 564 O GLU A 39 3.106 3.861 -1.099 1.00 0.00 O ATOM 565 CB GLU A 39 0.650 6.171 -1.290 1.00 0.00 C ATOM 566 CG GLU A 39 -0.760 6.624 -0.882 1.00 0.00 C ATOM 567 CD GLU A 39 -1.848 6.137 -1.857 1.00 0.00 C ATOM 568 OE1 GLU A 39 -1.960 6.686 -2.977 1.00 0.00 O ATOM 569 OE2 GLU A 39 -2.620 5.215 -1.509 1.00 0.00 O ATOM 0 H GLU A 39 0.634 4.800 0.766 1.00 0.00 H new ATOM 0 HA GLU A 39 0.071 4.224 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.374 6.606 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.875 6.566 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.981 6.251 0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.786 7.712 -0.830 1.00 0.00 H new ATOM 576 N SER A 40 2.398 4.427 -3.165 1.00 0.00 N ATOM 577 CA SER A 40 3.679 4.256 -3.834 1.00 0.00 C ATOM 578 C SER A 40 3.835 5.346 -4.897 1.00 0.00 C ATOM 579 O SER A 40 2.840 5.887 -5.391 1.00 0.00 O ATOM 580 CB SER A 40 3.780 2.869 -4.480 1.00 0.00 C ATOM 581 OG SER A 40 3.332 1.833 -3.620 1.00 0.00 O ATOM 0 H SER A 40 1.645 4.693 -3.799 1.00 0.00 H new ATOM 0 HA SER A 40 4.478 4.340 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.191 2.855 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.815 2.679 -4.764 1.00 0.00 H new ATOM 0 HG SER A 40 4.104 1.335 -3.279 1.00 0.00 H new ATOM 587 N LYS A 41 5.079 5.660 -5.253 1.00 0.00 N ATOM 588 CA LYS A 41 5.441 6.616 -6.302 1.00 0.00 C ATOM 589 C LYS A 41 6.806 6.234 -6.861 1.00 0.00 C ATOM 590 O LYS A 41 7.501 5.418 -6.257 1.00 0.00 O ATOM 591 CB LYS A 41 5.355 8.082 -5.810 1.00 0.00 C ATOM 592 CG LYS A 41 6.011 8.441 -4.461 1.00 0.00 C ATOM 593 CD LYS A 41 7.547 8.359 -4.390 1.00 0.00 C ATOM 594 CE LYS A 41 8.259 9.311 -5.359 1.00 0.00 C ATOM 595 NZ LYS A 41 8.019 10.746 -5.065 1.00 0.00 N ATOM 0 H LYS A 41 5.893 5.241 -4.804 1.00 0.00 H new ATOM 0 HA LYS A 41 4.717 6.563 -7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.801 8.716 -6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.300 8.351 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.713 9.456 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.600 7.780 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.868 8.583 -3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.858 7.337 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.331 9.116 -5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.928 9.096 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.582 11.332 -5.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.009 10.962 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.297 10.951 -4.084 1.00 0.00 H new ATOM 609 N GLU A 42 7.195 6.803 -7.998 1.00 0.00 N ATOM 610 CA GLU A 42 8.438 6.458 -8.681 1.00 0.00 C ATOM 611 C GLU A 42 9.427 7.605 -8.534 1.00 0.00 C ATOM 612 O GLU A 42 9.014 8.756 -8.378 1.00 0.00 O ATOM 613 CB GLU A 42 8.187 6.211 -10.178 1.00 0.00 C ATOM 614 CG GLU A 42 7.312 4.995 -10.500 1.00 0.00 C ATOM 615 CD GLU A 42 5.832 5.155 -10.112 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.184 6.145 -10.519 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.302 4.256 -9.421 1.00 0.00 O ATOM 0 H GLU A 42 6.652 7.523 -8.475 1.00 0.00 H new ATOM 0 HA GLU A 42 8.838 5.549 -8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.718 7.099 -10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.149 6.089 -10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.375 4.791 -11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.718 4.124 -9.985 1.00 0.00 H new ATOM 624 N ILE A 43 10.721 7.305 -8.649 1.00 0.00 N ATOM 625 CA ILE A 43 11.793 8.288 -8.699 1.00 0.00 C ATOM 626 C ILE A 43 12.703 7.965 -9.882 1.00 0.00 C ATOM 627 O ILE A 43 12.797 6.813 -10.319 1.00 0.00 O ATOM 628 CB ILE A 43 12.561 8.362 -7.358 1.00 0.00 C ATOM 629 CG1 ILE A 43 13.241 7.031 -6.966 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.620 8.858 -6.252 1.00 0.00 C ATOM 631 CD1 ILE A 43 14.019 7.086 -5.645 1.00 0.00 C ATOM 0 H ILE A 43 11.057 6.344 -8.711 1.00 0.00 H new ATOM 0 HA ILE A 43 11.372 9.282 -8.849 1.00 0.00 H new ATOM 0 HB ILE A 43 13.375 9.075 -7.489 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.479 6.255 -6.894 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.923 6.736 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.163 8.909 -5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.246 9.849 -6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.782 8.169 -6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.465 6.112 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.806 7.837 -5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.340 7.348 -4.834 1.00 0.00 H new ATOM 643 N VAL A 44 13.380 8.998 -10.380 1.00 0.00 N ATOM 644 CA VAL A 44 14.139 8.978 -11.626 1.00 0.00 C ATOM 645 C VAL A 44 15.600 9.196 -11.240 1.00 0.00 C ATOM 646 O VAL A 44 15.914 10.225 -10.627 1.00 0.00 O ATOM 647 CB VAL A 44 13.584 10.100 -12.536 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.369 10.282 -13.841 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.108 9.871 -12.899 1.00 0.00 C ATOM 0 H VAL A 44 13.415 9.902 -9.910 1.00 0.00 H new ATOM 0 HA VAL A 44 14.056 8.041 -12.177 1.00 0.00 H new ATOM 0 HB VAL A 44 13.692 11.005 -11.938 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.921 11.085 -14.426 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.404 10.534 -13.611 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.340 9.356 -14.415 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.760 10.682 -13.538 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.006 8.923 -13.428 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.509 9.845 -11.989 1.00 0.00 H new ATOM 659 N ARG A 45 16.477 8.235 -11.558 1.00 0.00 N ATOM 660 CA ARG A 45 17.905 8.246 -11.219 1.00 0.00 C ATOM 661 C ARG A 45 18.700 7.896 -12.470 1.00 0.00 C ATOM 662 O ARG A 45 18.240 7.072 -13.261 1.00 0.00 O ATOM 663 CB ARG A 45 18.220 7.183 -10.144 1.00 0.00 C ATOM 664 CG ARG A 45 17.540 7.338 -8.778 1.00 0.00 C ATOM 665 CD ARG A 45 18.043 8.550 -7.973 1.00 0.00 C ATOM 666 NE ARG A 45 17.180 9.704 -8.209 1.00 0.00 N ATOM 667 CZ ARG A 45 16.320 10.240 -7.345 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.407 10.061 -6.031 1.00 0.00 N ATOM 669 NH2 ARG A 45 15.321 10.952 -7.827 1.00 0.00 N ATOM 0 H ARG A 45 16.202 7.400 -12.076 1.00 0.00 H new ATOM 0 HA ARG A 45 18.168 9.233 -10.839 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.949 6.207 -10.546 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.298 7.174 -9.985 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.464 7.432 -8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.704 6.432 -8.195 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.058 8.309 -6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.067 8.787 -8.261 1.00 0.00 H new ATOM 0 HE ARG A 45 17.242 10.143 -9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.158 9.491 -5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.722 10.494 -5.411 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.224 11.079 -8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.644 11.376 -7.193 1.00 0.00 H new ATOM 683 N GLY A 46 19.905 8.443 -12.629 1.00 0.00 N ATOM 684 CA GLY A 46 20.800 8.086 -13.722 1.00 0.00 C ATOM 685 C GLY A 46 22.043 8.957 -13.698 1.00 0.00 C ATOM 686 O GLY A 46 21.919 10.182 -13.674 1.00 0.00 O ATOM 0 H GLY A 46 20.286 9.149 -11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.083 7.036 -13.640 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.285 8.204 -14.675 1.00 0.00 H new ATOM 690 N TYR A 47 23.229 8.342 -13.690 1.00 0.00 N ATOM 691 CA TYR A 47 24.501 9.044 -13.516 1.00 0.00 C ATOM 692 C TYR A 47 25.616 8.282 -14.231 1.00 0.00 C ATOM 693 O TYR A 47 25.489 7.081 -14.476 1.00 0.00 O ATOM 694 CB TYR A 47 24.883 9.143 -12.028 1.00 0.00 C ATOM 695 CG TYR A 47 23.783 9.531 -11.059 1.00 0.00 C ATOM 696 CD1 TYR A 47 22.991 8.517 -10.491 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.594 10.871 -10.671 1.00 0.00 C ATOM 698 CE1 TYR A 47 22.037 8.826 -9.509 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.647 11.189 -9.681 1.00 0.00 C ATOM 700 CZ TYR A 47 21.880 10.162 -9.079 1.00 0.00 C ATOM 701 OH TYR A 47 21.029 10.426 -8.054 1.00 0.00 O ATOM 0 H TYR A 47 23.333 7.334 -13.805 1.00 0.00 H new ATOM 0 HA TYR A 47 24.382 10.045 -13.932 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.284 8.179 -11.716 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.690 9.870 -11.933 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.118 7.494 -10.813 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.176 11.655 -11.133 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.425 8.045 -9.084 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.505 12.216 -9.380 1.00 0.00 H new ATOM 0 HH TYR A 47 21.309 11.248 -7.599 1.00 0.00 H new ATOM 711 N LYS A 48 26.743 8.960 -14.483 1.00 0.00 N ATOM 712 CA LYS A 48 27.927 8.369 -15.108 1.00 0.00 C ATOM 713 C LYS A 48 28.422 7.137 -14.352 1.00 0.00 C ATOM 714 O LYS A 48 28.780 6.143 -14.983 1.00 0.00 O ATOM 715 CB LYS A 48 29.027 9.443 -15.204 1.00 0.00 C ATOM 716 CG LYS A 48 30.284 8.954 -15.941 1.00 0.00 C ATOM 717 CD LYS A 48 31.295 10.097 -16.123 1.00 0.00 C ATOM 718 CE LYS A 48 32.636 9.620 -16.704 1.00 0.00 C ATOM 719 NZ LYS A 48 32.537 9.153 -18.111 1.00 0.00 N ATOM 0 H LYS A 48 26.857 9.948 -14.254 1.00 0.00 H new ATOM 0 HA LYS A 48 27.661 8.026 -16.108 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.629 10.318 -15.718 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.303 9.762 -14.199 1.00 0.00 H new ATOM 0 HG2 LYS A 48 30.746 8.141 -15.380 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.005 8.551 -16.915 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.867 10.853 -16.782 1.00 0.00 H new ATOM 0 HD3 LYS A 48 31.471 10.576 -15.160 1.00 0.00 H new ATOM 0 HE2 LYS A 48 33.358 10.435 -16.650 1.00 0.00 H new ATOM 0 HE3 LYS A 48 33.023 8.810 -16.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 33.474 8.846 -18.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 31.872 8.355 -18.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.196 9.930 -18.712 1.00 0.00 H new ATOM 733 N TRP A 49 28.464 7.199 -13.015 1.00 0.00 N ATOM 734 CA TRP A 49 29.055 6.133 -12.213 1.00 0.00 C ATOM 735 C TRP A 49 28.253 4.829 -12.290 1.00 0.00 C ATOM 736 O TRP A 49 28.847 3.758 -12.152 1.00 0.00 O ATOM 737 CB TRP A 49 29.298 6.599 -10.769 1.00 0.00 C ATOM 738 CG TRP A 49 28.209 7.367 -10.070 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.239 8.695 -9.811 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.962 6.884 -9.476 1.00 0.00 C ATOM 741 NE1 TRP A 49 27.118 9.061 -9.096 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.298 7.982 -8.850 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.327 5.628 -9.390 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.077 7.834 -8.174 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.073 5.481 -8.771 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.443 6.583 -8.168 1.00 0.00 C ATOM 0 H TRP A 49 28.094 7.978 -12.471 1.00 0.00 H new ATOM 0 HA TRP A 49 30.029 5.901 -12.643 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.519 5.717 -10.169 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.195 7.219 -10.767 1.00 0.00 H new ATOM 0 HD1 TRP A 49 29.025 9.369 -10.119 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.921 10.013 -8.788 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.814 4.760 -9.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.630 8.675 -7.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.591 4.515 -8.759 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.475 6.467 -7.702 1.00 0.00 H new ATOM 757 N ALA A 50 26.938 4.881 -12.540 1.00 0.00 N ATOM 758 CA ALA A 50 26.150 3.685 -12.780 1.00 0.00 C ATOM 759 C ALA A 50 26.271 3.313 -14.254 1.00 0.00 C ATOM 760 O ALA A 50 25.442 3.696 -15.080 1.00 0.00 O ATOM 761 CB ALA A 50 24.701 3.876 -12.346 1.00 0.00 C ATOM 0 H ALA A 50 26.403 5.749 -12.579 1.00 0.00 H new ATOM 0 HA ALA A 50 26.533 2.862 -12.177 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.140 2.962 -12.540 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.667 4.104 -11.281 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.259 4.699 -12.907 1.00 0.00 H new ATOM 767 N GLU A 51 27.311 2.550 -14.587 1.00 0.00 N ATOM 768 CA GLU A 51 27.486 1.988 -15.926 1.00 0.00 C ATOM 769 C GLU A 51 26.370 0.986 -16.272 1.00 0.00 C ATOM 770 O GLU A 51 26.203 0.644 -17.445 1.00 0.00 O ATOM 771 CB GLU A 51 28.868 1.323 -16.042 1.00 0.00 C ATOM 772 CG GLU A 51 30.015 2.333 -15.905 1.00 0.00 C ATOM 773 CD GLU A 51 31.384 1.668 -16.138 1.00 0.00 C ATOM 774 OE1 GLU A 51 32.009 1.184 -15.167 1.00 0.00 O ATOM 775 OE2 GLU A 51 31.863 1.638 -17.296 1.00 0.00 O ATOM 0 H GLU A 51 28.057 2.304 -13.936 1.00 0.00 H new ATOM 0 HA GLU A 51 27.423 2.805 -16.645 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.966 0.558 -15.271 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.945 0.817 -17.004 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.876 3.142 -16.622 1.00 0.00 H new ATOM 0 HG3 GLU A 51 29.991 2.780 -14.911 1.00 0.00 H new ATOM 782 N TYR A 52 25.593 0.533 -15.279 1.00 0.00 N ATOM 783 CA TYR A 52 24.493 -0.410 -15.415 1.00 0.00 C ATOM 784 C TYR A 52 23.367 0.004 -14.465 1.00 0.00 C ATOM 785 O TYR A 52 23.618 0.463 -13.349 1.00 0.00 O ATOM 786 CB TYR A 52 24.945 -1.857 -15.144 1.00 0.00 C ATOM 787 CG TYR A 52 26.077 -2.038 -14.149 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.400 -1.840 -14.578 1.00 0.00 C ATOM 789 CD2 TYR A 52 25.819 -2.419 -12.821 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.471 -2.009 -13.683 1.00 0.00 C ATOM 791 CE2 TYR A 52 26.882 -2.600 -11.918 1.00 0.00 C ATOM 792 CZ TYR A 52 28.215 -2.392 -12.345 1.00 0.00 C ATOM 793 OH TYR A 52 29.259 -2.558 -11.484 1.00 0.00 O ATOM 0 H TYR A 52 25.728 0.834 -14.314 1.00 0.00 H new ATOM 0 HA TYR A 52 24.131 -0.386 -16.443 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.084 -2.422 -14.788 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.249 -2.303 -16.091 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.596 -1.556 -15.602 1.00 0.00 H new ATOM 0 HD2 TYR A 52 24.802 -2.573 -12.493 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.486 -1.847 -14.016 1.00 0.00 H new ATOM 0 HE2 TYR A 52 26.681 -2.898 -10.899 1.00 0.00 H new ATOM 0 HH TYR A 52 28.918 -2.820 -10.603 1.00 0.00 H new ATOM 803 N HIS A 53 22.123 -0.198 -14.901 1.00 0.00 N ATOM 804 CA HIS A 53 20.892 0.189 -14.200 1.00 0.00 C ATOM 805 C HIS A 53 20.797 -0.447 -12.809 1.00 0.00 C ATOM 806 O HIS A 53 20.261 0.157 -11.879 1.00 0.00 O ATOM 807 CB HIS A 53 19.658 -0.209 -15.038 1.00 0.00 C ATOM 808 CG HIS A 53 19.894 -0.162 -16.525 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.799 0.933 -17.350 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.420 -1.183 -17.268 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.277 0.579 -18.556 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.686 -0.705 -18.554 1.00 0.00 N ATOM 0 H HIS A 53 21.935 -0.656 -15.792 1.00 0.00 H new ATOM 0 HA HIS A 53 20.919 1.271 -14.070 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.351 -1.217 -14.760 1.00 0.00 H new ATOM 0 HB3 HIS A 53 18.831 0.456 -14.789 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.432 1.849 -17.094 1.00 0.00 H new ATOM 0 HD2 HIS A 53 20.600 -2.189 -16.919 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.326 1.236 -19.412 1.00 0.00 H new ATOM 820 N ALA A 54 21.330 -1.664 -12.651 1.00 0.00 N ATOM 821 CA ALA A 54 21.332 -2.350 -11.369 1.00 0.00 C ATOM 822 C ALA A 54 22.136 -1.579 -10.318 1.00 0.00 C ATOM 823 O ALA A 54 21.812 -1.669 -9.135 1.00 0.00 O ATOM 824 CB ALA A 54 21.873 -3.774 -11.538 1.00 0.00 C ATOM 0 H ALA A 54 21.767 -2.192 -13.407 1.00 0.00 H new ATOM 0 HA ALA A 54 20.304 -2.404 -11.011 1.00 0.00 H new ATOM 0 HB1 ALA A 54 21.871 -4.281 -10.573 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.242 -4.322 -12.237 1.00 0.00 H new ATOM 0 HB3 ALA A 54 22.891 -3.733 -11.924 1.00 0.00 H new ATOM 830 N ASP A 55 23.158 -0.811 -10.723 1.00 0.00 N ATOM 831 CA ASP A 55 23.990 -0.075 -9.773 1.00 0.00 C ATOM 832 C ASP A 55 23.184 1.035 -9.103 1.00 0.00 C ATOM 833 O ASP A 55 23.154 1.120 -7.877 1.00 0.00 O ATOM 834 CB ASP A 55 25.219 0.539 -10.450 1.00 0.00 C ATOM 835 CG ASP A 55 26.210 1.023 -9.382 1.00 0.00 C ATOM 836 OD1 ASP A 55 26.934 0.180 -8.805 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.277 2.242 -9.127 1.00 0.00 O ATOM 0 H ASP A 55 23.424 -0.687 -11.700 1.00 0.00 H new ATOM 0 HA ASP A 55 24.328 -0.791 -9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.697 -0.198 -11.096 1.00 0.00 H new ATOM 0 HB3 ASP A 55 24.918 1.372 -11.085 1.00 0.00 H new ATOM 842 N ILE A 56 22.477 1.844 -9.903 1.00 0.00 N ATOM 843 CA ILE A 56 21.612 2.909 -9.397 1.00 0.00 C ATOM 844 C ILE A 56 20.454 2.318 -8.603 1.00 0.00 C ATOM 845 O ILE A 56 20.120 2.863 -7.552 1.00 0.00 O ATOM 846 CB ILE A 56 21.082 3.876 -10.494 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.049 3.303 -11.934 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.819 5.216 -10.369 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.890 4.333 -13.052 1.00 0.00 C ATOM 0 H ILE A 56 22.491 1.775 -10.921 1.00 0.00 H new ATOM 0 HA ILE A 56 22.239 3.517 -8.745 1.00 0.00 H new ATOM 0 HB ILE A 56 20.020 4.033 -10.305 1.00 0.00 H new ATOM 0 HG12 ILE A 56 21.971 2.747 -12.105 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.228 2.589 -12.003 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.456 5.903 -11.133 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.636 5.641 -9.382 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.889 5.057 -10.503 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.879 3.825 -14.016 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.954 4.875 -12.917 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.723 5.035 -13.021 1.00 0.00 H new ATOM 861 N TYR A 57 19.858 1.214 -9.068 1.00 0.00 N ATOM 862 CA TYR A 57 18.761 0.600 -8.341 1.00 0.00 C ATOM 863 C TYR A 57 19.231 0.170 -6.947 1.00 0.00 C ATOM 864 O TYR A 57 18.572 0.507 -5.965 1.00 0.00 O ATOM 865 CB TYR A 57 18.193 -0.590 -9.127 1.00 0.00 C ATOM 866 CG TYR A 57 17.143 -1.353 -8.344 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.017 -0.669 -7.847 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.331 -2.711 -8.032 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.095 -1.322 -7.011 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.404 -3.379 -7.213 1.00 0.00 C ATOM 871 CZ TYR A 57 15.293 -2.686 -6.683 1.00 0.00 C ATOM 872 OH TYR A 57 14.442 -3.349 -5.849 1.00 0.00 O ATOM 0 H TYR A 57 20.118 0.739 -9.933 1.00 0.00 H new ATOM 0 HA TYR A 57 17.961 1.331 -8.222 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.757 -0.231 -10.059 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.005 -1.266 -9.394 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.860 0.367 -8.111 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.188 -3.241 -8.422 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.241 -0.788 -6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.542 -4.426 -6.988 1.00 0.00 H new ATOM 0 HH TYR A 57 13.752 -2.732 -5.527 1.00 0.00 H new ATOM 882 N ASP A 58 20.372 -0.518 -6.839 1.00 0.00 N ATOM 883 CA ASP A 58 20.888 -0.987 -5.556 1.00 0.00 C ATOM 884 C ASP A 58 21.290 0.181 -4.652 1.00 0.00 C ATOM 885 O ASP A 58 20.889 0.224 -3.488 1.00 0.00 O ATOM 886 CB ASP A 58 22.087 -1.915 -5.768 1.00 0.00 C ATOM 887 CG ASP A 58 22.670 -2.358 -4.415 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.072 -3.235 -3.754 1.00 0.00 O ATOM 889 OD2 ASP A 58 23.742 -1.849 -4.017 1.00 0.00 O ATOM 0 H ASP A 58 20.959 -0.763 -7.636 1.00 0.00 H new ATOM 0 HA ASP A 58 20.088 -1.539 -5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 58 21.781 -2.789 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.853 -1.403 -6.351 1.00 0.00 H new ATOM 894 N LYS A 59 22.030 1.154 -5.200 1.00 0.00 N ATOM 895 CA LYS A 59 22.462 2.364 -4.499 1.00 0.00 C ATOM 896 C LYS A 59 21.260 3.061 -3.873 1.00 0.00 C ATOM 897 O LYS A 59 21.231 3.310 -2.666 1.00 0.00 O ATOM 898 CB LYS A 59 23.172 3.280 -5.519 1.00 0.00 C ATOM 899 CG LYS A 59 23.590 4.665 -4.989 1.00 0.00 C ATOM 900 CD LYS A 59 25.034 4.765 -4.474 1.00 0.00 C ATOM 901 CE LYS A 59 26.076 4.544 -5.583 1.00 0.00 C ATOM 902 NZ LYS A 59 27.467 4.666 -5.079 1.00 0.00 N ATOM 0 H LYS A 59 22.351 1.118 -6.167 1.00 0.00 H new ATOM 0 HA LYS A 59 23.152 2.116 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.061 2.767 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.512 3.422 -6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 59 23.455 5.396 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 59 22.914 4.945 -4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.189 5.747 -4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.186 4.028 -3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 59 25.935 3.555 -6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.915 5.270 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 28.135 4.509 -5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.612 5.618 -4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.631 3.956 -4.337 1.00 0.00 H new ATOM 916 N VAL A 60 20.269 3.383 -4.698 1.00 0.00 N ATOM 917 CA VAL A 60 19.179 4.242 -4.285 1.00 0.00 C ATOM 918 C VAL A 60 18.175 3.462 -3.446 1.00 0.00 C ATOM 919 O VAL A 60 17.705 4.014 -2.457 1.00 0.00 O ATOM 920 CB VAL A 60 18.616 4.990 -5.504 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.446 5.895 -5.090 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.756 5.855 -6.093 1.00 0.00 C ATOM 0 H VAL A 60 20.204 3.056 -5.662 1.00 0.00 H new ATOM 0 HA VAL A 60 19.526 5.028 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 60 18.248 4.276 -6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 60 17.061 6.416 -5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.654 5.288 -4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.792 6.624 -4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 60 19.387 6.400 -6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.101 6.563 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.583 5.212 -6.392 1.00 0.00 H new ATOM 932 N SER A 61 17.912 2.183 -3.726 1.00 0.00 N ATOM 933 CA SER A 61 17.087 1.379 -2.830 1.00 0.00 C ATOM 934 C SER A 61 17.742 1.247 -1.456 1.00 0.00 C ATOM 935 O SER A 61 17.021 1.214 -0.463 1.00 0.00 O ATOM 936 CB SER A 61 16.795 0.004 -3.426 1.00 0.00 C ATOM 937 OG SER A 61 16.202 0.170 -4.693 1.00 0.00 O ATOM 0 H SER A 61 18.253 1.691 -4.552 1.00 0.00 H new ATOM 0 HA SER A 61 16.135 1.896 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.716 -0.572 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.130 -0.557 -2.770 1.00 0.00 H new ATOM 0 HG SER A 61 16.010 -0.709 -5.082 1.00 0.00 H new ATOM 943 N GLY A 62 19.077 1.238 -1.368 1.00 0.00 N ATOM 944 CA GLY A 62 19.784 1.310 -0.099 1.00 0.00 C ATOM 945 C GLY A 62 19.414 2.583 0.662 1.00 0.00 C ATOM 946 O GLY A 62 19.057 2.509 1.838 1.00 0.00 O ATOM 0 H GLY A 62 19.692 1.180 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.542 0.437 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.859 1.287 -0.276 1.00 0.00 H new ATOM 950 N ASP A 63 19.436 3.744 -0.004 1.00 0.00 N ATOM 951 CA ASP A 63 19.049 5.007 0.623 1.00 0.00 C ATOM 952 C ASP A 63 17.574 4.991 1.024 1.00 0.00 C ATOM 953 O ASP A 63 17.252 5.315 2.163 1.00 0.00 O ATOM 954 CB ASP A 63 19.334 6.215 -0.276 1.00 0.00 C ATOM 955 CG ASP A 63 19.102 7.522 0.503 1.00 0.00 C ATOM 956 OD1 ASP A 63 17.959 8.026 0.538 1.00 0.00 O ATOM 957 OD2 ASP A 63 20.083 8.043 1.082 1.00 0.00 O ATOM 0 H ASP A 63 19.719 3.831 -0.980 1.00 0.00 H new ATOM 0 HA ASP A 63 19.661 5.109 1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.362 6.175 -0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.687 6.186 -1.153 1.00 0.00 H new ATOM 962 N MET A 64 16.677 4.543 0.140 1.00 0.00 N ATOM 963 CA MET A 64 15.254 4.456 0.458 1.00 0.00 C ATOM 964 C MET A 64 15.018 3.533 1.658 1.00 0.00 C ATOM 965 O MET A 64 14.245 3.866 2.551 1.00 0.00 O ATOM 966 CB MET A 64 14.456 3.938 -0.747 1.00 0.00 C ATOM 967 CG MET A 64 14.494 4.776 -2.030 1.00 0.00 C ATOM 968 SD MET A 64 13.929 6.487 -1.875 1.00 0.00 S ATOM 969 CE MET A 64 15.517 7.310 -1.609 1.00 0.00 C ATOM 0 H MET A 64 16.915 4.235 -0.803 1.00 0.00 H new ATOM 0 HA MET A 64 14.911 5.460 0.708 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.818 2.938 -0.987 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.414 3.835 -0.442 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.518 4.785 -2.405 1.00 0.00 H new ATOM 0 HG3 MET A 64 13.883 4.279 -2.783 1.00 0.00 H new ATOM 0 HE1 MET A 64 15.375 8.390 -1.634 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.920 7.019 -0.639 1.00 0.00 H new ATOM 0 HE3 MET A 64 16.214 7.017 -2.394 1.00 0.00 H new ATOM 979 N GLN A 65 15.689 2.385 1.727 1.00 0.00 N ATOM 980 CA GLN A 65 15.554 1.444 2.828 1.00 0.00 C ATOM 981 C GLN A 65 16.125 2.021 4.128 1.00 0.00 C ATOM 982 O GLN A 65 15.577 1.749 5.195 1.00 0.00 O ATOM 983 CB GLN A 65 16.251 0.130 2.451 1.00 0.00 C ATOM 984 CG GLN A 65 15.423 -0.704 1.456 1.00 0.00 C ATOM 985 CD GLN A 65 16.235 -1.815 0.784 1.00 0.00 C ATOM 986 OE1 GLN A 65 17.195 -2.350 1.336 1.00 0.00 O ATOM 987 NE2 GLN A 65 15.862 -2.205 -0.426 1.00 0.00 N ATOM 0 H GLN A 65 16.348 2.082 1.010 1.00 0.00 H new ATOM 0 HA GLN A 65 14.496 1.252 3.006 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.226 0.350 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.430 -0.456 3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.575 -1.147 1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.015 -0.045 0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.066 -1.760 -0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.371 -2.950 -0.901 1.00 0.00 H new ATOM 996 N LYS A 66 17.172 2.851 4.065 1.00 0.00 N ATOM 997 CA LYS A 66 17.655 3.617 5.212 1.00 0.00 C ATOM 998 C LYS A 66 16.586 4.619 5.666 1.00 0.00 C ATOM 999 O LYS A 66 16.378 4.752 6.873 1.00 0.00 O ATOM 1000 CB LYS A 66 18.984 4.280 4.818 1.00 0.00 C ATOM 1001 CG LYS A 66 19.563 5.275 5.838 1.00 0.00 C ATOM 1002 CD LYS A 66 20.766 6.021 5.238 1.00 0.00 C ATOM 1003 CE LYS A 66 20.320 7.000 4.137 1.00 0.00 C ATOM 1004 NZ LYS A 66 21.454 7.670 3.460 1.00 0.00 N ATOM 0 H LYS A 66 17.708 3.009 3.212 1.00 0.00 H new ATOM 0 HA LYS A 66 17.842 2.972 6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.722 3.497 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.842 4.801 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.795 5.990 6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.869 4.744 6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.288 6.567 6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.474 5.302 4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.730 6.460 3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.668 7.756 4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.175 7.933 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.718 8.526 3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.267 7.022 3.421 1.00 0.00 H new ATOM 1018 N GLN A 67 15.877 5.288 4.742 1.00 0.00 N ATOM 1019 CA GLN A 67 14.710 6.102 5.097 1.00 0.00 C ATOM 1020 C GLN A 67 13.610 5.229 5.714 1.00 0.00 C ATOM 1021 O GLN A 67 12.914 5.690 6.614 1.00 0.00 O ATOM 1022 CB GLN A 67 14.186 6.921 3.899 1.00 0.00 C ATOM 1023 CG GLN A 67 15.247 7.884 3.335 1.00 0.00 C ATOM 1024 CD GLN A 67 14.698 8.850 2.282 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.613 9.409 2.424 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.437 9.096 1.212 1.00 0.00 N ATOM 0 H GLN A 67 16.094 5.279 3.745 1.00 0.00 H new ATOM 0 HA GLN A 67 15.028 6.825 5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.862 6.241 3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.310 7.491 4.208 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.676 8.459 4.155 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.057 7.302 2.895 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.337 8.631 1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.106 9.751 0.503 1.00 0.00 H new ATOM 1035 N GLY A 68 13.476 3.974 5.278 1.00 0.00 N ATOM 1036 CA GLY A 68 12.637 2.931 5.873 1.00 0.00 C ATOM 1037 C GLY A 68 11.826 2.142 4.834 1.00 0.00 C ATOM 1038 O GLY A 68 11.162 1.164 5.180 1.00 0.00 O ATOM 0 H GLY A 68 13.978 3.640 4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.268 2.241 6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.953 3.388 6.588 1.00 0.00 H new ATOM 1042 N CYS A 69 11.864 2.574 3.574 1.00 0.00 N ATOM 1043 CA CYS A 69 11.014 2.121 2.482 1.00 0.00 C ATOM 1044 C CYS A 69 11.307 0.694 1.999 1.00 0.00 C ATOM 1045 O CYS A 69 12.237 0.027 2.451 1.00 0.00 O ATOM 1046 CB CYS A 69 11.238 3.074 1.304 1.00 0.00 C ATOM 1047 SG CYS A 69 11.105 4.815 1.802 1.00 0.00 S ATOM 0 H CYS A 69 12.527 3.289 3.275 1.00 0.00 H new ATOM 0 HA CYS A 69 9.989 2.117 2.853 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.224 2.894 0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.507 2.863 0.523 1.00 0.00 H new ATOM 0 HG CYS A 69 11.305 5.578 0.769 1.00 0.00 H new ATOM 1053 N ASP A 70 10.533 0.280 0.995 1.00 0.00 N ATOM 1054 CA ASP A 70 10.711 -0.916 0.175 1.00 0.00 C ATOM 1055 C ASP A 70 10.604 -0.419 -1.271 1.00 0.00 C ATOM 1056 O ASP A 70 9.934 0.598 -1.506 1.00 0.00 O ATOM 1057 CB ASP A 70 9.663 -1.984 0.504 1.00 0.00 C ATOM 1058 CG ASP A 70 9.807 -3.217 -0.404 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.952 -3.649 -0.671 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.773 -3.772 -0.834 1.00 0.00 O ATOM 0 H ASP A 70 9.708 0.810 0.715 1.00 0.00 H new ATOM 0 HA ASP A 70 11.669 -1.403 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.765 -2.285 1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.664 -1.562 0.390 1.00 0.00 H new ATOM 1065 N CYS A 71 11.264 -1.072 -2.233 1.00 0.00 N ATOM 1066 CA CYS A 71 11.422 -0.535 -3.587 1.00 0.00 C ATOM 1067 C CYS A 71 11.454 -1.602 -4.682 1.00 0.00 C ATOM 1068 O CYS A 71 11.719 -2.771 -4.401 1.00 0.00 O ATOM 1069 CB CYS A 71 12.760 0.217 -3.648 1.00 0.00 C ATOM 1070 SG CYS A 71 12.863 1.504 -2.377 1.00 0.00 S ATOM 0 H CYS A 71 11.701 -1.983 -2.095 1.00 0.00 H new ATOM 0 HA CYS A 71 10.556 0.100 -3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.580 -0.489 -3.519 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.880 0.668 -4.633 1.00 0.00 H new ATOM 0 HG CYS A 71 13.563 1.067 -1.373 1.00 0.00 H new ATOM 1076 N GLU A 72 11.285 -1.184 -5.946 1.00 0.00 N ATOM 1077 CA GLU A 72 11.363 -2.043 -7.121 1.00 0.00 C ATOM 1078 C GLU A 72 11.745 -1.202 -8.343 1.00 0.00 C ATOM 1079 O GLU A 72 11.113 -0.176 -8.590 1.00 0.00 O ATOM 1080 CB GLU A 72 9.977 -2.665 -7.329 1.00 0.00 C ATOM 1081 CG GLU A 72 9.940 -3.562 -8.566 1.00 0.00 C ATOM 1082 CD GLU A 72 8.665 -4.423 -8.613 1.00 0.00 C ATOM 1083 OE1 GLU A 72 7.606 -3.938 -9.070 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.713 -5.608 -8.208 1.00 0.00 O ATOM 0 H GLU A 72 11.085 -0.211 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 72 12.115 -2.821 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.704 -3.247 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.234 -1.874 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.995 -2.945 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.816 -4.210 -8.571 1.00 0.00 H new ATOM 1091 N CYS A 73 12.755 -1.610 -9.118 1.00 0.00 N ATOM 1092 CA CYS A 73 13.036 -1.006 -10.416 1.00 0.00 C ATOM 1093 C CYS A 73 11.919 -1.462 -11.365 1.00 0.00 C ATOM 1094 O CYS A 73 11.794 -2.652 -11.665 1.00 0.00 O ATOM 1095 CB CYS A 73 14.444 -1.377 -10.928 1.00 0.00 C ATOM 1096 SG CYS A 73 14.837 -3.127 -10.620 1.00 0.00 S ATOM 0 H CYS A 73 13.394 -2.363 -8.862 1.00 0.00 H new ATOM 0 HA CYS A 73 13.045 0.082 -10.347 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.507 -1.173 -11.997 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.186 -0.746 -10.439 1.00 0.00 H new ATOM 0 HG CYS A 73 15.922 -3.447 -11.260 1.00 0.00 H new ATOM 1102 N LEU A 74 11.079 -0.527 -11.819 1.00 0.00 N ATOM 1103 CA LEU A 74 10.023 -0.821 -12.785 1.00 0.00 C ATOM 1104 C LEU A 74 10.635 -1.173 -14.144 1.00 0.00 C ATOM 1105 O LEU A 74 10.062 -1.959 -14.898 1.00 0.00 O ATOM 1106 CB LEU A 74 9.070 0.377 -12.929 1.00 0.00 C ATOM 1107 CG LEU A 74 8.296 0.767 -11.653 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.268 1.844 -12.008 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.571 -0.414 -10.995 1.00 0.00 C ATOM 0 H LEU A 74 11.114 0.450 -11.527 1.00 0.00 H new ATOM 0 HA LEU A 74 9.451 -1.675 -12.421 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.647 1.240 -13.261 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.350 0.153 -13.716 1.00 0.00 H new ATOM 0 HG LEU A 74 9.029 1.131 -10.934 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.714 2.128 -11.113 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.781 2.718 -12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.576 1.454 -12.754 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.047 -0.069 -10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.852 -0.837 -11.697 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.297 -1.177 -10.716 1.00 0.00 H new ATOM 1121 N GLY A 75 11.806 -0.609 -14.445 1.00 0.00 N ATOM 1122 CA GLY A 75 12.597 -0.886 -15.628 1.00 0.00 C ATOM 1123 C GLY A 75 13.749 0.108 -15.680 1.00 0.00 C ATOM 1124 O GLY A 75 13.928 0.908 -14.753 1.00 0.00 O ATOM 0 H GLY A 75 12.242 0.084 -13.837 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.978 -1.907 -15.599 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.982 -0.801 -16.524 1.00 0.00 H new ATOM 1128 N GLY A 76 14.509 0.094 -16.771 1.00 0.00 N ATOM 1129 CA GLY A 76 15.586 1.049 -16.990 1.00 0.00 C ATOM 1130 C GLY A 76 15.808 1.305 -18.473 1.00 0.00 C ATOM 1131 O GLY A 76 15.077 0.789 -19.323 1.00 0.00 O ATOM 0 H GLY A 76 14.394 -0.581 -17.527 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.350 1.988 -16.489 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.506 0.672 -16.543 1.00 0.00 H new ATOM 1135 N GLY A 77 16.817 2.122 -18.760 1.00 0.00 N ATOM 1136 CA GLY A 77 17.136 2.630 -20.083 1.00 0.00 C ATOM 1137 C GLY A 77 18.361 3.530 -19.970 1.00 0.00 C ATOM 1138 O GLY A 77 19.139 3.407 -19.015 1.00 0.00 O ATOM 0 H GLY A 77 17.460 2.460 -18.044 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.333 1.806 -20.768 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.292 3.187 -20.489 1.00 0.00 H new ATOM 1142 N ARG A 78 18.536 4.462 -20.901 1.00 0.00 N ATOM 1143 CA ARG A 78 19.648 5.406 -20.901 1.00 0.00 C ATOM 1144 C ARG A 78 19.164 6.810 -21.239 1.00 0.00 C ATOM 1145 O ARG A 78 18.019 7.018 -21.650 1.00 0.00 O ATOM 1146 CB ARG A 78 20.804 4.904 -21.786 1.00 0.00 C ATOM 1147 CG ARG A 78 20.431 4.604 -23.244 1.00 0.00 C ATOM 1148 CD ARG A 78 21.711 4.251 -24.016 1.00 0.00 C ATOM 1149 NE ARG A 78 21.448 3.541 -25.281 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.224 3.563 -26.370 1.00 0.00 C ATOM 1151 NH1 ARG A 78 23.244 4.414 -26.472 1.00 0.00 N ATOM 1152 NH2 ARG A 78 21.974 2.725 -27.366 1.00 0.00 N ATOM 0 H ARG A 78 17.900 4.585 -21.689 1.00 0.00 H new ATOM 0 HA ARG A 78 20.064 5.471 -19.896 1.00 0.00 H new ATOM 0 HB2 ARG A 78 21.597 5.652 -21.778 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.215 3.998 -21.340 1.00 0.00 H new ATOM 0 HG2 ARG A 78 19.722 3.778 -23.290 1.00 0.00 H new ATOM 0 HG3 ARG A 78 19.944 5.468 -23.695 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.264 5.166 -24.228 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.349 3.632 -23.385 1.00 0.00 H new ATOM 0 HE ARG A 78 20.596 2.982 -25.330 1.00 0.00 H new ATOM 0 HH11 ARG A 78 23.444 5.064 -25.712 1.00 0.00 H new ATOM 0 HH12 ARG A 78 23.825 4.416 -27.311 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.195 2.070 -27.298 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.561 2.735 -28.200 1.00 0.00 H new ATOM 1166 N ILE A 79 20.048 7.771 -21.007 1.00 0.00 N ATOM 1167 CA ILE A 79 19.800 9.199 -21.026 1.00 0.00 C ATOM 1168 C ILE A 79 20.962 9.851 -21.771 1.00 0.00 C ATOM 1169 O ILE A 79 22.115 9.447 -21.591 1.00 0.00 O ATOM 1170 CB ILE A 79 19.666 9.686 -19.556 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.221 9.419 -19.081 1.00 0.00 C ATOM 1172 CG2 ILE A 79 20.021 11.173 -19.365 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.881 9.918 -17.669 1.00 0.00 C ATOM 0 H ILE A 79 21.020 7.555 -20.786 1.00 0.00 H new ATOM 0 HA ILE A 79 18.877 9.466 -21.540 1.00 0.00 H new ATOM 0 HB ILE A 79 20.387 9.129 -18.958 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.534 9.886 -19.787 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.038 8.345 -19.121 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.905 11.443 -18.315 1.00 0.00 H new ATOM 0 HG22 ILE A 79 21.053 11.343 -19.671 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.356 11.787 -19.973 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.843 9.678 -17.439 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.535 9.433 -16.944 1.00 0.00 H new ATOM 0 HD13 ILE A 79 18.023 10.998 -17.620 1.00 0.00 H new ATOM 1185 N SER A 80 20.644 10.885 -22.552 1.00 0.00 N ATOM 1186 CA SER A 80 21.592 11.657 -23.345 1.00 0.00 C ATOM 1187 C SER A 80 21.087 13.098 -23.469 1.00 0.00 C ATOM 1188 O SER A 80 19.897 13.362 -23.269 1.00 0.00 O ATOM 1189 CB SER A 80 21.703 11.044 -24.753 1.00 0.00 C ATOM 1190 OG SER A 80 22.016 9.663 -24.710 1.00 0.00 O ATOM 0 H SER A 80 19.684 11.217 -22.651 1.00 0.00 H new ATOM 0 HA SER A 80 22.568 11.643 -22.860 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.762 11.186 -25.285 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.471 11.572 -25.318 1.00 0.00 H new ATOM 0 HG SER A 80 22.076 9.313 -25.623 1.00 0.00 H new ATOM 1333 N HIS A 89 16.997 13.551 -23.525 1.00 0.00 N ATOM 1334 CA HIS A 89 16.185 12.461 -24.046 1.00 0.00 C ATOM 1335 C HIS A 89 16.338 11.265 -23.103 1.00 0.00 C ATOM 1336 O HIS A 89 17.407 11.092 -22.511 1.00 0.00 O ATOM 1337 CB HIS A 89 16.631 12.111 -25.473 1.00 0.00 C ATOM 1338 CG HIS A 89 15.586 11.378 -26.277 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.398 11.899 -26.745 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.676 10.097 -26.751 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.786 10.947 -27.469 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.524 9.825 -27.497 1.00 0.00 N ATOM 0 HA HIS A 89 15.135 12.749 -24.095 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.899 13.030 -25.995 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.532 11.499 -25.422 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.495 9.414 -26.579 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.832 11.067 -27.961 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.291 8.950 -27.968 1.00 0.00 H new ATOM 1350 N VAL A 90 15.301 10.433 -22.983 1.00 0.00 N ATOM 1351 CA VAL A 90 15.267 9.256 -22.115 1.00 0.00 C ATOM 1352 C VAL A 90 14.709 8.119 -22.969 1.00 0.00 C ATOM 1353 O VAL A 90 13.624 8.257 -23.533 1.00 0.00 O ATOM 1354 CB VAL A 90 14.376 9.508 -20.876 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.616 8.417 -19.827 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.578 10.883 -20.220 1.00 0.00 C ATOM 0 H VAL A 90 14.434 10.565 -23.505 1.00 0.00 H new ATOM 0 HA VAL A 90 16.260 9.015 -21.735 1.00 0.00 H new ATOM 0 HB VAL A 90 13.350 9.484 -21.244 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.985 8.602 -18.958 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.372 7.443 -20.252 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.663 8.428 -19.524 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.915 10.977 -19.360 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.613 10.982 -19.893 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.349 11.667 -20.941 1.00 0.00 H new ATOM 1366 N TYR A 91 15.439 7.020 -23.134 1.00 0.00 N ATOM 1367 CA TYR A 91 15.071 6.001 -24.110 1.00 0.00 C ATOM 1368 C TYR A 91 15.728 4.663 -23.784 1.00 0.00 C ATOM 1369 O TYR A 91 16.430 4.532 -22.778 1.00 0.00 O ATOM 1370 CB TYR A 91 15.495 6.488 -25.509 1.00 0.00 C ATOM 1371 CG TYR A 91 16.998 6.558 -25.734 1.00 0.00 C ATOM 1372 CD1 TYR A 91 17.765 7.600 -25.173 1.00 0.00 C ATOM 1373 CD2 TYR A 91 17.634 5.566 -26.501 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.148 7.665 -25.405 1.00 0.00 C ATOM 1375 CE2 TYR A 91 19.016 5.627 -26.749 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.779 6.692 -26.214 1.00 0.00 C ATOM 1377 OH TYR A 91 21.114 6.796 -26.464 1.00 0.00 O ATOM 0 H TYR A 91 16.287 6.813 -22.606 1.00 0.00 H new ATOM 0 HA TYR A 91 13.992 5.846 -24.082 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.061 5.824 -26.256 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.070 7.478 -25.677 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.286 8.351 -24.562 1.00 0.00 H new ATOM 0 HD2 TYR A 91 17.054 4.749 -26.904 1.00 0.00 H new ATOM 0 HE1 TYR A 91 19.731 8.460 -24.965 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.494 4.864 -27.346 1.00 0.00 H new ATOM 0 HH TYR A 91 21.555 7.234 -25.707 1.00 0.00 H new ATOM 1387 N GLY A 92 15.546 3.677 -24.661 1.00 0.00 N ATOM 1388 CA GLY A 92 16.281 2.432 -24.597 1.00 0.00 C ATOM 1389 C GLY A 92 15.573 1.371 -23.771 1.00 0.00 C ATOM 1390 O GLY A 92 14.382 1.469 -23.470 1.00 0.00 O ATOM 0 H GLY A 92 14.882 3.727 -25.434 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.436 2.055 -25.608 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.267 2.619 -24.171 1.00 0.00 H new ATOM 1394 N TYR A 93 16.330 0.327 -23.443 1.00 0.00 N ATOM 1395 CA TYR A 93 15.900 -0.847 -22.701 1.00 0.00 C ATOM 1396 C TYR A 93 17.027 -1.151 -21.718 1.00 0.00 C ATOM 1397 O TYR A 93 18.201 -0.982 -22.062 1.00 0.00 O ATOM 1398 CB TYR A 93 15.700 -2.041 -23.657 1.00 0.00 C ATOM 1399 CG TYR A 93 14.445 -2.014 -24.520 1.00 0.00 C ATOM 1400 CD1 TYR A 93 14.308 -1.083 -25.568 1.00 0.00 C ATOM 1401 CD2 TYR A 93 13.419 -2.954 -24.294 1.00 0.00 C ATOM 1402 CE1 TYR A 93 13.135 -1.042 -26.341 1.00 0.00 C ATOM 1403 CE2 TYR A 93 12.251 -2.935 -25.078 1.00 0.00 C ATOM 1404 CZ TYR A 93 12.093 -1.963 -26.093 1.00 0.00 C ATOM 1405 OH TYR A 93 10.942 -1.925 -26.821 1.00 0.00 O ATOM 0 H TYR A 93 17.315 0.279 -23.704 1.00 0.00 H new ATOM 0 HA TYR A 93 14.952 -0.673 -22.192 1.00 0.00 H new ATOM 0 HB2 TYR A 93 16.566 -2.100 -24.316 1.00 0.00 H new ATOM 0 HB3 TYR A 93 15.687 -2.955 -23.064 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.112 -0.394 -25.780 1.00 0.00 H new ATOM 0 HD2 TYR A 93 13.530 -3.693 -23.514 1.00 0.00 H new ATOM 0 HE1 TYR A 93 13.030 -0.306 -27.125 1.00 0.00 H new ATOM 0 HE2 TYR A 93 11.473 -3.664 -24.904 1.00 0.00 H new ATOM 0 HH TYR A 93 10.337 -2.633 -26.514 1.00 0.00 H new ATOM 1415 N SER A 94 16.693 -1.596 -20.506 1.00 0.00 N ATOM 1416 CA SER A 94 17.704 -2.027 -19.555 1.00 0.00 C ATOM 1417 C SER A 94 18.413 -3.276 -20.087 1.00 0.00 C ATOM 1418 O SER A 94 17.798 -4.130 -20.733 1.00 0.00 O ATOM 1419 CB SER A 94 17.067 -2.248 -18.181 1.00 0.00 C ATOM 1420 OG SER A 94 17.966 -2.892 -17.294 1.00 0.00 O ATOM 0 H SER A 94 15.734 -1.665 -20.166 1.00 0.00 H new ATOM 0 HA SER A 94 18.461 -1.253 -19.434 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.762 -1.290 -17.761 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.165 -2.850 -18.289 1.00 0.00 H new ATOM 0 HG SER A 94 17.574 -2.923 -16.396 1.00 0.00 H new ATOM 1426 N MET A 95 19.707 -3.407 -19.779 1.00 0.00 N ATOM 1427 CA MET A 95 20.462 -4.634 -20.027 1.00 0.00 C ATOM 1428 C MET A 95 20.079 -5.763 -19.051 1.00 0.00 C ATOM 1429 O MET A 95 20.472 -6.908 -19.280 1.00 0.00 O ATOM 1430 CB MET A 95 21.976 -4.352 -19.994 1.00 0.00 C ATOM 1431 CG MET A 95 22.533 -4.098 -18.585 1.00 0.00 C ATOM 1432 SD MET A 95 24.305 -3.721 -18.506 1.00 0.00 S ATOM 1433 CE MET A 95 24.308 -2.030 -19.160 1.00 0.00 C ATOM 0 H MET A 95 20.259 -2.664 -19.351 1.00 0.00 H new ATOM 0 HA MET A 95 20.198 -4.985 -21.025 1.00 0.00 H new ATOM 0 HB2 MET A 95 22.503 -5.198 -20.435 1.00 0.00 H new ATOM 0 HB3 MET A 95 22.187 -3.484 -20.619 1.00 0.00 H new ATOM 0 HG2 MET A 95 21.982 -3.270 -18.139 1.00 0.00 H new ATOM 0 HG3 MET A 95 22.338 -4.978 -17.972 1.00 0.00 H new ATOM 0 HE1 MET A 95 25.315 -1.617 -19.095 1.00 0.00 H new ATOM 0 HE2 MET A 95 23.987 -2.042 -20.202 1.00 0.00 H new ATOM 0 HE3 MET A 95 23.624 -1.413 -18.577 1.00 0.00 H new ATOM 1443 N ALA A 96 19.347 -5.462 -17.967 1.00 0.00 N ATOM 1444 CA ALA A 96 19.096 -6.388 -16.860 1.00 0.00 C ATOM 1445 C ALA A 96 17.617 -6.464 -16.452 1.00 0.00 C ATOM 1446 O ALA A 96 17.231 -7.407 -15.756 1.00 0.00 O ATOM 1447 CB ALA A 96 19.949 -5.960 -15.660 1.00 0.00 C ATOM 0 H ALA A 96 18.907 -4.551 -17.836 1.00 0.00 H new ATOM 0 HA ALA A 96 19.369 -7.387 -17.199 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.773 -6.641 -14.827 1.00 0.00 H new ATOM 0 HB2 ALA A 96 21.003 -5.988 -15.935 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.678 -4.947 -15.364 1.00 0.00 H new ATOM 1453 N TYR A 97 16.790 -5.515 -16.893 1.00 0.00 N ATOM 1454 CA TYR A 97 15.376 -5.373 -16.548 1.00 0.00 C ATOM 1455 C TYR A 97 14.588 -5.091 -17.835 1.00 0.00 C ATOM 1456 O TYR A 97 15.162 -5.055 -18.928 1.00 0.00 O ATOM 1457 CB TYR A 97 15.188 -4.236 -15.515 1.00 0.00 C ATOM 1458 CG TYR A 97 16.094 -4.263 -14.289 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.216 -5.439 -13.522 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.799 -3.104 -13.896 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.066 -5.478 -12.403 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.647 -3.133 -12.775 1.00 0.00 C ATOM 1463 CZ TYR A 97 17.790 -4.325 -12.026 1.00 0.00 C ATOM 1464 OH TYR A 97 18.598 -4.344 -10.930 1.00 0.00 O ATOM 0 H TYR A 97 17.106 -4.787 -17.534 1.00 0.00 H new ATOM 0 HA TYR A 97 15.005 -6.291 -16.093 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.337 -3.285 -16.026 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.153 -4.256 -15.173 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.652 -6.318 -13.796 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.686 -2.190 -14.460 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.165 -6.389 -11.832 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.189 -2.245 -12.485 1.00 0.00 H new ATOM 0 HH TYR A 97 18.949 -5.249 -10.798 1.00 0.00 H new ATOM 1474 N GLY A 98 13.276 -4.874 -17.722 1.00 0.00 N ATOM 1475 CA GLY A 98 12.464 -4.392 -18.835 1.00 0.00 C ATOM 1476 C GLY A 98 12.758 -2.919 -19.152 1.00 0.00 C ATOM 1477 O GLY A 98 13.489 -2.252 -18.406 1.00 0.00 O ATOM 0 H GLY A 98 12.751 -5.027 -16.861 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.658 -5.001 -19.718 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.408 -4.509 -18.593 1.00 0.00 H new ATOM 1481 N PRO A 99 12.183 -2.378 -20.240 1.00 0.00 N ATOM 1482 CA PRO A 99 12.223 -0.949 -20.505 1.00 0.00 C ATOM 1483 C PRO A 99 11.415 -0.232 -19.420 1.00 0.00 C ATOM 1484 O PRO A 99 10.347 -0.700 -19.011 1.00 0.00 O ATOM 1485 CB PRO A 99 11.606 -0.768 -21.894 1.00 0.00 C ATOM 1486 CG PRO A 99 10.634 -1.945 -22.002 1.00 0.00 C ATOM 1487 CD PRO A 99 11.315 -3.053 -21.195 1.00 0.00 C ATOM 0 HA PRO A 99 13.230 -0.533 -20.488 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.091 0.189 -21.984 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.363 -0.798 -22.678 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.655 -1.695 -21.592 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.479 -2.242 -23.039 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.578 -3.672 -20.683 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.889 -3.713 -21.845 1.00 0.00 H new ATOM 1495 N ALA A 100 11.918 0.905 -18.944 1.00 0.00 N ATOM 1496 CA ALA A 100 11.172 1.743 -18.020 1.00 0.00 C ATOM 1497 C ALA A 100 9.999 2.432 -18.725 1.00 0.00 C ATOM 1498 O ALA A 100 9.955 2.538 -19.953 1.00 0.00 O ATOM 1499 CB ALA A 100 12.104 2.806 -17.454 1.00 0.00 C ATOM 0 H ALA A 100 12.841 1.264 -19.186 1.00 0.00 H new ATOM 0 HA ALA A 100 10.776 1.114 -17.223 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.553 3.440 -16.759 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.929 2.324 -16.930 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.497 3.415 -18.268 1.00 0.00 H new ATOM 1505 N GLN A 101 9.070 2.963 -17.927 1.00 0.00 N ATOM 1506 CA GLN A 101 8.012 3.847 -18.396 1.00 0.00 C ATOM 1507 C GLN A 101 8.631 5.240 -18.535 1.00 0.00 C ATOM 1508 O GLN A 101 8.403 6.102 -17.691 1.00 0.00 O ATOM 1509 CB GLN A 101 6.818 3.837 -17.421 1.00 0.00 C ATOM 1510 CG GLN A 101 6.038 2.518 -17.465 1.00 0.00 C ATOM 1511 CD GLN A 101 4.909 2.504 -16.433 1.00 0.00 C ATOM 1512 OE1 GLN A 101 5.044 1.947 -15.347 1.00 0.00 O ATOM 1513 NE2 GLN A 101 3.776 3.120 -16.737 1.00 0.00 N ATOM 0 H GLN A 101 9.035 2.786 -16.923 1.00 0.00 H new ATOM 0 HA GLN A 101 7.616 3.517 -19.356 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.179 4.009 -16.407 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.147 4.661 -17.664 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.623 2.372 -18.462 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.716 1.686 -17.276 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.672 3.580 -17.641 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.007 3.134 -16.067 1.00 0.00 H new ATOM 1522 N HIS A 102 9.452 5.464 -19.564 1.00 0.00 N ATOM 1523 CA HIS A 102 10.175 6.725 -19.763 1.00 0.00 C ATOM 1524 C HIS A 102 9.249 7.951 -19.821 1.00 0.00 C ATOM 1525 O HIS A 102 9.702 9.064 -19.560 1.00 0.00 O ATOM 1526 CB HIS A 102 11.022 6.650 -21.038 1.00 0.00 C ATOM 1527 CG HIS A 102 11.933 5.452 -21.094 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.791 4.332 -21.885 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.989 5.222 -20.260 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.736 3.451 -21.514 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.513 3.958 -20.547 1.00 0.00 N ATOM 0 H HIS A 102 9.636 4.770 -20.289 1.00 0.00 H new ATOM 0 HA HIS A 102 10.818 6.857 -18.893 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.359 6.631 -21.903 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.623 7.556 -21.117 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.095 4.196 -22.618 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.357 5.902 -19.506 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.854 2.465 -21.939 1.00 0.00 H new ATOM 1539 N ALA A 103 7.955 7.752 -20.110 1.00 0.00 N ATOM 1540 CA ALA A 103 6.925 8.778 -19.992 1.00 0.00 C ATOM 1541 C ALA A 103 6.934 9.434 -18.597 1.00 0.00 C ATOM 1542 O ALA A 103 6.776 10.651 -18.480 1.00 0.00 O ATOM 1543 CB ALA A 103 5.559 8.144 -20.280 1.00 0.00 C ATOM 0 H ALA A 103 7.595 6.856 -20.438 1.00 0.00 H new ATOM 0 HA ALA A 103 7.129 9.566 -20.717 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.781 8.902 -20.195 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.555 7.732 -21.289 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.369 7.347 -19.561 1.00 0.00 H new ATOM 1549 N ILE A 104 7.147 8.639 -17.542 1.00 0.00 N ATOM 1550 CA ILE A 104 7.230 9.105 -16.162 1.00 0.00 C ATOM 1551 C ILE A 104 8.422 10.047 -16.019 1.00 0.00 C ATOM 1552 O ILE A 104 8.291 11.105 -15.403 1.00 0.00 O ATOM 1553 CB ILE A 104 7.345 7.894 -15.201 1.00 0.00 C ATOM 1554 CG1 ILE A 104 6.136 6.938 -15.301 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.551 8.335 -13.743 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.844 7.517 -14.718 1.00 0.00 C ATOM 0 H ILE A 104 7.269 7.630 -17.631 1.00 0.00 H new ATOM 0 HA ILE A 104 6.325 9.653 -15.899 1.00 0.00 H new ATOM 0 HB ILE A 104 8.229 7.345 -15.524 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.970 6.684 -16.348 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.374 6.010 -14.782 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.626 7.455 -13.104 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.468 8.919 -13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.705 8.944 -13.424 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.039 6.790 -14.824 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.991 7.744 -13.662 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.581 8.430 -15.252 1.00 0.00 H new ATOM 1568 N SER A 105 9.568 9.690 -16.598 1.00 0.00 N ATOM 1569 CA SER A 105 10.754 10.519 -16.568 1.00 0.00 C ATOM 1570 C SER A 105 10.475 11.867 -17.212 1.00 0.00 C ATOM 1571 O SER A 105 10.731 12.889 -16.581 1.00 0.00 O ATOM 1572 CB SER A 105 11.894 9.803 -17.279 1.00 0.00 C ATOM 1573 OG SER A 105 12.024 8.496 -16.755 1.00 0.00 O ATOM 0 H SER A 105 9.692 8.812 -17.101 1.00 0.00 H new ATOM 0 HA SER A 105 11.043 10.696 -15.532 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.699 9.760 -18.351 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.825 10.355 -17.146 1.00 0.00 H new ATOM 0 HG SER A 105 12.963 8.324 -16.534 1.00 0.00 H new ATOM 1579 N THR A 106 9.912 11.890 -18.422 1.00 0.00 N ATOM 1580 CA THR A 106 9.567 13.141 -19.085 1.00 0.00 C ATOM 1581 C THR A 106 8.620 13.986 -18.223 1.00 0.00 C ATOM 1582 O THR A 106 8.864 15.181 -18.065 1.00 0.00 O ATOM 1583 CB THR A 106 9.012 12.894 -20.501 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.236 11.722 -20.596 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.143 12.720 -21.513 1.00 0.00 C ATOM 0 H THR A 106 9.687 11.053 -18.960 1.00 0.00 H new ATOM 0 HA THR A 106 10.483 13.720 -19.206 1.00 0.00 H new ATOM 0 HB THR A 106 8.399 13.770 -20.712 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.790 11.555 -19.740 1.00 0.00 H new ATOM 0 HG21 THR A 106 9.722 12.547 -22.503 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.756 13.621 -21.532 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.759 11.868 -21.227 1.00 0.00 H new ATOM 1593 N GLU A 107 7.588 13.384 -17.618 1.00 0.00 N ATOM 1594 CA GLU A 107 6.637 14.109 -16.785 1.00 0.00 C ATOM 1595 C GLU A 107 7.348 14.737 -15.580 1.00 0.00 C ATOM 1596 O GLU A 107 7.213 15.939 -15.334 1.00 0.00 O ATOM 1597 CB GLU A 107 5.490 13.175 -16.345 1.00 0.00 C ATOM 1598 CG GLU A 107 4.449 13.005 -17.461 1.00 0.00 C ATOM 1599 CD GLU A 107 3.270 12.122 -17.012 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.377 12.618 -16.287 1.00 0.00 O ATOM 1601 OE2 GLU A 107 3.199 10.935 -17.403 1.00 0.00 O ATOM 0 H GLU A 107 7.395 12.385 -17.695 1.00 0.00 H new ATOM 0 HA GLU A 107 6.201 14.920 -17.369 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.896 12.201 -16.072 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.009 13.581 -15.455 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.076 13.984 -17.763 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.923 12.561 -18.336 1.00 0.00 H new ATOM 1608 N LYS A 108 8.136 13.950 -14.843 1.00 0.00 N ATOM 1609 CA LYS A 108 8.779 14.416 -13.616 1.00 0.00 C ATOM 1610 C LYS A 108 9.877 15.428 -13.915 1.00 0.00 C ATOM 1611 O LYS A 108 9.968 16.442 -13.223 1.00 0.00 O ATOM 1612 CB LYS A 108 9.342 13.218 -12.842 1.00 0.00 C ATOM 1613 CG LYS A 108 8.237 12.356 -12.223 1.00 0.00 C ATOM 1614 CD LYS A 108 8.837 11.103 -11.575 1.00 0.00 C ATOM 1615 CE LYS A 108 7.757 10.350 -10.791 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.563 10.932 -9.445 1.00 0.00 N ATOM 0 H LYS A 108 8.344 12.980 -15.079 1.00 0.00 H new ATOM 0 HA LYS A 108 8.031 14.919 -13.003 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.945 12.606 -13.512 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.005 13.576 -12.054 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.692 12.934 -11.477 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.519 12.068 -12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.260 10.454 -12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.653 11.383 -10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.817 10.381 -11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.037 9.301 -10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.562 10.853 -9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.150 10.419 -8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.840 11.934 -9.457 1.00 0.00 H new ATOM 1630 N ILE A 109 10.706 15.186 -14.929 1.00 0.00 N ATOM 1631 CA ILE A 109 11.777 16.099 -15.315 1.00 0.00 C ATOM 1632 C ILE A 109 11.145 17.425 -15.751 1.00 0.00 C ATOM 1633 O ILE A 109 11.576 18.467 -15.265 1.00 0.00 O ATOM 1634 CB ILE A 109 12.673 15.435 -16.389 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.513 14.283 -15.778 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.619 16.428 -17.091 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.114 13.343 -16.833 1.00 0.00 C ATOM 0 H ILE A 109 10.652 14.348 -15.507 1.00 0.00 H new ATOM 0 HA ILE A 109 12.441 16.320 -14.480 1.00 0.00 H new ATOM 0 HB ILE A 109 11.988 15.042 -17.140 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.319 14.708 -15.179 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.885 13.704 -15.101 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.218 15.898 -17.831 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.032 17.202 -17.586 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.277 16.888 -16.353 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.689 12.560 -16.338 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.312 12.890 -17.416 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.768 13.910 -17.495 1.00 0.00 H new ATOM 1649 N LYS A 110 10.099 17.432 -16.591 1.00 0.00 N ATOM 1650 CA LYS A 110 9.473 18.699 -16.990 1.00 0.00 C ATOM 1651 C LYS A 110 8.845 19.412 -15.792 1.00 0.00 C ATOM 1652 O LYS A 110 8.860 20.638 -15.761 1.00 0.00 O ATOM 1653 CB LYS A 110 8.442 18.504 -18.112 1.00 0.00 C ATOM 1654 CG LYS A 110 9.131 18.164 -19.438 1.00 0.00 C ATOM 1655 CD LYS A 110 8.125 17.945 -20.571 1.00 0.00 C ATOM 1656 CE LYS A 110 8.912 17.694 -21.864 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.041 17.387 -23.027 1.00 0.00 N ATOM 0 H LYS A 110 9.678 16.597 -16.998 1.00 0.00 H new ATOM 0 HA LYS A 110 10.267 19.333 -17.384 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.752 17.705 -17.841 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.850 19.412 -18.228 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.812 18.971 -19.709 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.735 17.266 -19.312 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.479 17.096 -20.348 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.480 18.817 -20.681 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.515 18.573 -22.092 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.603 16.866 -21.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.630 17.227 -23.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.484 16.532 -22.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.399 18.186 -23.200 1.00 0.00 H new ATOM 1671 N ALA A 111 8.322 18.687 -14.796 1.00 0.00 N ATOM 1672 CA ALA A 111 7.810 19.309 -13.581 1.00 0.00 C ATOM 1673 C ALA A 111 8.931 19.994 -12.782 1.00 0.00 C ATOM 1674 O ALA A 111 8.720 21.090 -12.258 1.00 0.00 O ATOM 1675 CB ALA A 111 7.082 18.268 -12.721 1.00 0.00 C ATOM 0 H ALA A 111 8.245 17.670 -14.813 1.00 0.00 H new ATOM 0 HA ALA A 111 7.099 20.083 -13.871 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.704 18.744 -11.816 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.249 17.848 -13.285 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.775 17.471 -12.450 1.00 0.00 H new ATOM 1681 N LYS A 112 10.112 19.369 -12.669 1.00 0.00 N ATOM 1682 CA LYS A 112 11.217 19.888 -11.849 1.00 0.00 C ATOM 1683 C LYS A 112 12.117 20.880 -12.597 1.00 0.00 C ATOM 1684 O LYS A 112 12.814 21.654 -11.939 1.00 0.00 O ATOM 1685 CB LYS A 112 12.046 18.718 -11.270 1.00 0.00 C ATOM 1686 CG LYS A 112 11.734 18.450 -9.787 1.00 0.00 C ATOM 1687 CD LYS A 112 10.304 17.976 -9.473 1.00 0.00 C ATOM 1688 CE LYS A 112 10.074 16.525 -9.915 1.00 0.00 C ATOM 1689 NZ LYS A 112 8.750 16.005 -9.487 1.00 0.00 N ATOM 0 H LYS A 112 10.328 18.492 -13.142 1.00 0.00 H new ATOM 0 HA LYS A 112 10.765 20.451 -11.033 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.848 17.816 -11.848 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.107 18.940 -11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.433 17.699 -9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.924 19.365 -9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.119 18.063 -8.402 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.587 18.626 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.152 16.462 -11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.860 15.893 -9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.800 14.971 -9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.487 16.433 -8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.035 16.246 -10.202 1.00 0.00 H new ATOM 1703 N TYR A 113 12.107 20.880 -13.932 1.00 0.00 N ATOM 1704 CA TYR A 113 13.045 21.603 -14.792 1.00 0.00 C ATOM 1705 C TYR A 113 14.511 21.525 -14.301 1.00 0.00 C ATOM 1706 O TYR A 113 15.130 22.565 -14.058 1.00 0.00 O ATOM 1707 CB TYR A 113 12.568 23.048 -15.042 1.00 0.00 C ATOM 1708 CG TYR A 113 11.278 23.181 -15.828 1.00 0.00 C ATOM 1709 CD1 TYR A 113 11.251 22.822 -17.190 1.00 0.00 C ATOM 1710 CD2 TYR A 113 10.122 23.711 -15.221 1.00 0.00 C ATOM 1711 CE1 TYR A 113 10.073 22.977 -17.942 1.00 0.00 C ATOM 1712 CE2 TYR A 113 8.941 23.876 -15.968 1.00 0.00 C ATOM 1713 CZ TYR A 113 8.910 23.502 -17.333 1.00 0.00 C ATOM 1714 OH TYR A 113 7.775 23.654 -18.073 1.00 0.00 O ATOM 0 H TYR A 113 11.415 20.353 -14.465 1.00 0.00 H new ATOM 0 HA TYR A 113 13.049 21.094 -15.756 1.00 0.00 H new ATOM 0 HB2 TYR A 113 12.439 23.542 -14.079 1.00 0.00 H new ATOM 0 HB3 TYR A 113 13.354 23.585 -15.573 1.00 0.00 H new ATOM 0 HD1 TYR A 113 12.140 22.426 -17.659 1.00 0.00 H new ATOM 0 HD2 TYR A 113 10.143 23.992 -14.178 1.00 0.00 H new ATOM 0 HE1 TYR A 113 10.057 22.695 -18.984 1.00 0.00 H new ATOM 0 HE2 TYR A 113 8.059 24.288 -15.500 1.00 0.00 H new ATOM 0 HH TYR A 113 7.064 24.025 -17.509 1.00 0.00 H new ATOM 1771 N GLU A 117 14.129 21.127 -21.151 1.00 0.00 N ATOM 1772 CA GLU A 117 13.067 20.239 -21.612 1.00 0.00 C ATOM 1773 C GLU A 117 13.676 18.835 -21.752 1.00 0.00 C ATOM 1774 O GLU A 117 14.879 18.633 -21.543 1.00 0.00 O ATOM 1775 CB GLU A 117 12.480 20.775 -22.942 1.00 0.00 C ATOM 1776 CG GLU A 117 11.093 20.228 -23.318 1.00 0.00 C ATOM 1777 CD GLU A 117 10.571 20.846 -24.629 1.00 0.00 C ATOM 1778 OE1 GLU A 117 9.886 21.894 -24.581 1.00 0.00 O ATOM 1779 OE2 GLU A 117 10.820 20.266 -25.712 1.00 0.00 O ATOM 0 HA GLU A 117 12.237 20.193 -20.907 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.419 21.862 -22.881 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.175 20.539 -23.748 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.146 19.144 -23.423 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.389 20.437 -22.512 1.00 0.00 H new ATOM 1786 N VAL A 118 12.856 17.856 -22.121 1.00 0.00 N ATOM 1787 CA VAL A 118 13.229 16.464 -22.302 1.00 0.00 C ATOM 1788 C VAL A 118 12.183 15.827 -23.227 1.00 0.00 C ATOM 1789 O VAL A 118 11.083 16.363 -23.378 1.00 0.00 O ATOM 1790 CB VAL A 118 13.324 15.805 -20.908 1.00 0.00 C ATOM 1791 CG1 VAL A 118 12.026 15.948 -20.103 1.00 0.00 C ATOM 1792 CG2 VAL A 118 13.772 14.340 -20.949 1.00 0.00 C ATOM 0 H VAL A 118 11.868 18.023 -22.310 1.00 0.00 H new ATOM 0 HA VAL A 118 14.203 16.334 -22.773 1.00 0.00 H new ATOM 0 HB VAL A 118 14.108 16.361 -20.393 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.146 15.468 -19.132 1.00 0.00 H new ATOM 0 HG12 VAL A 118 11.801 17.005 -19.960 1.00 0.00 H new ATOM 0 HG13 VAL A 118 11.208 15.473 -20.644 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.816 13.944 -19.934 1.00 0.00 H new ATOM 0 HG22 VAL A 118 13.061 13.758 -21.535 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.759 14.274 -21.407 1.00 0.00 H new ATOM 1802 N THR A 119 12.498 14.681 -23.818 1.00 0.00 N ATOM 1803 CA THR A 119 11.593 13.871 -24.633 1.00 0.00 C ATOM 1804 C THR A 119 11.913 12.392 -24.356 1.00 0.00 C ATOM 1805 O THR A 119 12.885 12.097 -23.650 1.00 0.00 O ATOM 1806 CB THR A 119 11.755 14.250 -26.121 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.115 14.514 -26.418 1.00 0.00 O ATOM 1808 CG2 THR A 119 10.951 15.494 -26.506 1.00 0.00 C ATOM 0 H THR A 119 13.429 14.271 -23.741 1.00 0.00 H new ATOM 0 HA THR A 119 10.549 14.053 -24.379 1.00 0.00 H new ATOM 0 HB THR A 119 11.382 13.398 -26.689 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.591 13.668 -26.552 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.103 15.713 -27.563 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.892 15.314 -26.322 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.285 16.342 -25.908 1.00 0.00 H new ATOM 1816 N TRP A 120 11.128 11.456 -24.897 1.00 0.00 N ATOM 1817 CA TRP A 120 11.422 10.033 -24.779 1.00 0.00 C ATOM 1818 C TRP A 120 11.157 9.310 -26.089 1.00 0.00 C ATOM 1819 O TRP A 120 10.497 9.848 -26.983 1.00 0.00 O ATOM 1820 CB TRP A 120 10.624 9.374 -23.639 1.00 0.00 C ATOM 1821 CG TRP A 120 9.156 9.147 -23.862 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.215 10.108 -23.969 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.431 7.881 -23.991 1.00 0.00 C ATOM 1824 NE1 TRP A 120 6.966 9.540 -24.096 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.035 8.164 -24.092 1.00 0.00 C ATOM 1826 CE3 TRP A 120 8.808 6.521 -24.031 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.066 7.152 -24.173 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 7.845 5.497 -24.088 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.475 5.808 -24.156 1.00 0.00 C ATOM 0 H TRP A 120 10.280 11.665 -25.423 1.00 0.00 H new ATOM 0 HA TRP A 120 12.482 9.947 -24.539 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.084 8.410 -23.420 1.00 0.00 H new ATOM 0 HB3 TRP A 120 10.737 9.992 -22.748 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.412 11.170 -23.957 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.100 10.071 -24.182 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.856 6.262 -24.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.018 7.403 -24.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.160 4.464 -24.079 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.741 5.017 -24.195 1.00 0.00 H new ATOM 1840 N ALA A 121 11.648 8.073 -26.173 1.00 0.00 N ATOM 1841 CA ALA A 121 11.330 7.141 -27.236 1.00 0.00 C ATOM 1842 C ALA A 121 11.391 5.727 -26.660 1.00 0.00 C ATOM 1843 O ALA A 121 12.242 5.428 -25.819 1.00 0.00 O ATOM 1844 CB ALA A 121 12.318 7.299 -28.399 1.00 0.00 C ATOM 0 H ALA A 121 12.293 7.690 -25.482 1.00 0.00 H new ATOM 0 HA ALA A 121 10.331 7.339 -27.626 1.00 0.00 H new ATOM 0 HB1 ALA A 121 12.066 6.592 -29.189 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.261 8.315 -28.789 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.330 7.102 -28.046 1.00 0.00 H new