USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 457 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 22 THR OG1 : rot 42:sc= 0.329 USER MOD Set 1.2: A 25 THR OG1 : rot -71:sc= 1.26 USER MOD Set 1.3: A 27 CYS SG : rot -91:sc= 1.09 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc=-0.00755 (180deg=-0.182) USER MOD Single : A 12 SER OG : rot 180:sc= -1.11 USER MOD Single : A 15 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.69) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 107:sc= 0.21 USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0684) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.07) USER MOD Single : A 32 SER OG : rot 74:sc= 0.554 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.719 K(o=0.72,f=-0.027) USER MOD Single : A 39 ASN : amide:sc= 0.471 K(o=0.47,f=-0.28) USER MOD Single : A 40 HIS : no HE2:sc= -1.47 K(o=-1.5,f=-2.6!) USER MOD Single : A 42 ASN : amide:sc= -0.444 K(o=-0.44,f=-7.8!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0.045) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.23 K(o=1.2,f=-0.00092) USER MOD Single : A 50 TYR OH : rot 165:sc= -0.0714 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 2.32 (180deg=2.03) USER MOD Single : A 57 THR OG1 : rot -43:sc= 0.628 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 17.888 -2.841 1.304 1.00 0.00 N ATOM 2 CA ILE A 6 18.736 -3.340 0.234 1.00 0.00 C ATOM 3 C ILE A 6 18.030 -3.079 -1.091 1.00 0.00 C ATOM 4 O ILE A 6 17.243 -3.895 -1.568 1.00 0.00 O ATOM 5 CB ILE A 6 19.031 -4.838 0.408 1.00 0.00 C ATOM 6 CG1 ILE A 6 19.735 -5.092 1.750 1.00 0.00 C ATOM 7 CG2 ILE A 6 19.917 -5.296 -0.759 1.00 0.00 C ATOM 8 CD1 ILE A 6 20.055 -6.574 1.957 1.00 0.00 C ATOM 0 HA ILE A 6 19.695 -2.823 0.257 1.00 0.00 H new ATOM 0 HB ILE A 6 18.099 -5.403 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 6 20.657 -4.513 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 6 19.101 -4.741 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 6 20.138 -6.358 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 6 19.395 -5.126 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 6 20.848 -4.730 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 6 20.552 -6.708 2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.131 -7.151 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.711 -6.920 1.158 1.00 0.00 H new ATOM 19 N LYS A 7 18.323 -1.922 -1.686 1.00 0.00 N ATOM 20 CA LYS A 7 17.812 -1.552 -2.990 1.00 0.00 C ATOM 21 C LYS A 7 18.361 -2.512 -4.041 1.00 0.00 C ATOM 22 O LYS A 7 19.574 -2.626 -4.210 1.00 0.00 O ATOM 23 CB LYS A 7 18.255 -0.118 -3.284 1.00 0.00 C ATOM 24 CG LYS A 7 17.644 0.865 -2.280 1.00 0.00 C ATOM 25 CD LYS A 7 18.174 2.282 -2.505 1.00 0.00 C ATOM 26 CE LYS A 7 19.683 2.329 -2.264 1.00 0.00 C ATOM 27 NZ LYS A 7 20.208 3.698 -2.410 1.00 0.00 N ATOM 0 H LYS A 7 18.927 -1.215 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 7 16.724 -1.610 -3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.342 -0.055 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.957 0.158 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.558 0.860 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.876 0.544 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.951 2.604 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.670 2.977 -1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 7 19.905 1.957 -1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.186 1.667 -2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 21.234 3.696 -2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 20.017 4.042 -3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.744 4.323 -1.720 1.00 0.00 H new ATOM 41 N ARG A 8 17.463 -3.201 -4.752 1.00 0.00 N ATOM 42 CA ARG A 8 17.796 -4.150 -5.796 1.00 0.00 C ATOM 43 C ARG A 8 17.880 -3.462 -7.158 1.00 0.00 C ATOM 44 O ARG A 8 17.616 -4.071 -8.191 1.00 0.00 O ATOM 45 CB ARG A 8 16.749 -5.262 -5.757 1.00 0.00 C ATOM 46 CG ARG A 8 16.796 -6.072 -4.459 1.00 0.00 C ATOM 47 CD ARG A 8 18.149 -6.752 -4.252 1.00 0.00 C ATOM 48 NE ARG A 8 18.123 -7.598 -3.051 1.00 0.00 N ATOM 49 CZ ARG A 8 19.148 -8.352 -2.640 1.00 0.00 C ATOM 50 NH1 ARG A 8 20.292 -8.372 -3.322 1.00 0.00 N ATOM 51 NH2 ARG A 8 19.033 -9.092 -1.542 1.00 0.00 N ATOM 0 H ARG A 8 16.458 -3.104 -4.606 1.00 0.00 H new ATOM 0 HA ARG A 8 18.783 -4.582 -5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.757 -4.826 -5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 8 16.903 -5.931 -6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.589 -5.415 -3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.010 -6.827 -4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 8 18.396 -7.357 -5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 8 18.930 -5.998 -4.156 1.00 0.00 H new ATOM 0 HE ARG A 8 17.268 -7.611 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 8 20.392 -7.809 -4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 8 21.068 -8.951 -3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.162 -9.085 -1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.816 -9.667 -1.230 1.00 0.00 H new ATOM 65 N LYS A 9 18.255 -2.178 -7.132 1.00 0.00 N ATOM 66 CA LYS A 9 18.352 -1.297 -8.291 1.00 0.00 C ATOM 67 C LYS A 9 17.084 -1.264 -9.141 1.00 0.00 C ATOM 68 O LYS A 9 17.129 -0.856 -10.300 1.00 0.00 O ATOM 69 CB LYS A 9 19.605 -1.624 -9.109 1.00 0.00 C ATOM 70 CG LYS A 9 20.850 -1.437 -8.243 1.00 0.00 C ATOM 71 CD LYS A 9 22.104 -1.660 -9.089 1.00 0.00 C ATOM 72 CE LYS A 9 23.358 -1.486 -8.229 1.00 0.00 C ATOM 73 NZ LYS A 9 23.515 -0.091 -7.774 1.00 0.00 N ATOM 0 H LYS A 9 18.509 -1.709 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 9 18.453 -0.280 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 9 19.555 -2.650 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 9 19.659 -0.977 -9.984 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.861 -0.434 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.833 -2.138 -7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.087 -2.660 -9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.122 -0.954 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.302 -2.147 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 9 24.237 -1.784 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.471 0.042 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 23.373 0.554 -8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 22.811 0.115 -7.036 1.00 0.00 H new ATOM 87 N ASP A 10 15.956 -1.689 -8.573 1.00 0.00 N ATOM 88 CA ASP A 10 14.685 -1.702 -9.275 1.00 0.00 C ATOM 89 C ASP A 10 13.514 -1.718 -8.315 1.00 0.00 C ATOM 90 O ASP A 10 12.506 -1.060 -8.565 1.00 0.00 O ATOM 91 CB ASP A 10 14.635 -2.932 -10.182 1.00 0.00 C ATOM 92 CG ASP A 10 13.367 -2.955 -11.027 1.00 0.00 C ATOM 93 OD1 ASP A 10 13.276 -2.118 -11.953 1.00 0.00 O ATOM 94 OD2 ASP A 10 12.498 -3.809 -10.747 1.00 0.00 O ATOM 0 H ASP A 10 15.904 -2.033 -7.614 1.00 0.00 H new ATOM 0 HA ASP A 10 14.607 -0.791 -9.868 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.508 -2.939 -10.835 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.684 -3.835 -9.574 1.00 0.00 H new ATOM 99 N ALA A 11 13.642 -2.462 -7.218 1.00 0.00 N ATOM 100 CA ALA A 11 12.591 -2.489 -6.232 1.00 0.00 C ATOM 101 C ALA A 11 13.134 -2.948 -4.887 1.00 0.00 C ATOM 102 O ALA A 11 13.354 -4.132 -4.640 1.00 0.00 O ATOM 103 CB ALA A 11 11.467 -3.381 -6.740 1.00 0.00 C ATOM 0 H ALA A 11 14.453 -3.041 -7.001 1.00 0.00 H new ATOM 0 HA ALA A 11 12.190 -1.487 -6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.664 -3.410 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.083 -2.983 -7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.848 -4.389 -6.902 1.00 0.00 H new ATOM 109 N SER A 12 13.340 -1.954 -4.026 1.00 0.00 N ATOM 110 CA SER A 12 13.662 -2.109 -2.617 1.00 0.00 C ATOM 111 C SER A 12 12.685 -3.056 -1.920 1.00 0.00 C ATOM 112 O SER A 12 11.625 -3.364 -2.462 1.00 0.00 O ATOM 113 CB SER A 12 13.596 -0.717 -1.994 1.00 0.00 C ATOM 114 OG SER A 12 13.151 -0.686 -0.658 1.00 0.00 O ATOM 0 H SER A 12 13.283 -0.976 -4.309 1.00 0.00 H new ATOM 0 HA SER A 12 14.654 -2.547 -2.502 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.587 -0.266 -2.042 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.933 -0.096 -2.597 1.00 0.00 H new ATOM 0 HG SER A 12 13.141 0.240 -0.338 1.00 0.00 H new ATOM 120 N PRO A 13 13.030 -3.520 -0.711 1.00 0.00 N ATOM 121 CA PRO A 13 12.204 -4.424 0.077 1.00 0.00 C ATOM 122 C PRO A 13 10.908 -3.738 0.460 1.00 0.00 C ATOM 123 O PRO A 13 9.888 -4.376 0.714 1.00 0.00 O ATOM 124 CB PRO A 13 13.020 -4.679 1.345 1.00 0.00 C ATOM 125 CG PRO A 13 14.457 -4.363 0.940 1.00 0.00 C ATOM 126 CD PRO A 13 14.247 -3.191 -0.001 1.00 0.00 C ATOM 0 HA PRO A 13 11.957 -5.336 -0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.689 -4.042 2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.920 -5.711 1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.077 -4.097 1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.940 -5.206 0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.148 -2.254 0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 13 15.088 -3.074 -0.685 1.00 0.00 H new ATOM 134 N GLU A 14 10.988 -2.413 0.492 1.00 0.00 N ATOM 135 CA GLU A 14 9.870 -1.538 0.759 1.00 0.00 C ATOM 136 C GLU A 14 9.213 -1.121 -0.541 1.00 0.00 C ATOM 137 O GLU A 14 7.995 -1.150 -0.650 1.00 0.00 O ATOM 138 CB GLU A 14 10.389 -0.286 1.454 1.00 0.00 C ATOM 139 CG GLU A 14 11.205 -0.665 2.682 1.00 0.00 C ATOM 140 CD GLU A 14 11.627 0.562 3.488 1.00 0.00 C ATOM 141 OE1 GLU A 14 12.227 1.478 2.882 1.00 0.00 O ATOM 142 OE2 GLU A 14 11.346 0.578 4.707 1.00 0.00 O ATOM 0 H GLU A 14 11.860 -1.911 0.327 1.00 0.00 H new ATOM 0 HA GLU A 14 9.145 -2.061 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.004 0.293 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.553 0.349 1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.619 -1.331 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.092 -1.218 2.372 1.00 0.00 H new ATOM 149 N GLN A 15 10.023 -0.732 -1.526 1.00 0.00 N ATOM 150 CA GLN A 15 9.536 -0.206 -2.790 1.00 0.00 C ATOM 151 C GLN A 15 8.856 -1.285 -3.626 1.00 0.00 C ATOM 152 O GLN A 15 8.176 -0.969 -4.598 1.00 0.00 O ATOM 153 CB GLN A 15 10.711 0.390 -3.564 1.00 0.00 C ATOM 154 CG GLN A 15 11.327 1.632 -2.902 1.00 0.00 C ATOM 155 CD GLN A 15 10.291 2.655 -2.476 1.00 0.00 C ATOM 156 OE1 GLN A 15 10.001 3.619 -3.179 1.00 0.00 O ATOM 157 NE2 GLN A 15 9.729 2.429 -1.292 1.00 0.00 N ATOM 0 H GLN A 15 11.040 -0.775 -1.464 1.00 0.00 H new ATOM 0 HA GLN A 15 8.792 0.562 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.483 -0.371 -3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.376 0.654 -4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.904 1.323 -2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.025 2.098 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.004 1.613 -0.744 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.023 3.071 -0.931 1.00 0.00 H new ATOM 166 N GLU A 16 9.027 -2.560 -3.265 1.00 0.00 N ATOM 167 CA GLU A 16 8.366 -3.626 -3.998 1.00 0.00 C ATOM 168 C GLU A 16 6.915 -3.716 -3.560 1.00 0.00 C ATOM 169 O GLU A 16 6.103 -4.357 -4.225 1.00 0.00 O ATOM 170 CB GLU A 16 9.101 -4.957 -3.809 1.00 0.00 C ATOM 171 CG GLU A 16 9.031 -5.415 -2.351 1.00 0.00 C ATOM 172 CD GLU A 16 9.592 -6.828 -2.199 1.00 0.00 C ATOM 173 OE1 GLU A 16 10.836 -6.963 -2.197 1.00 0.00 O ATOM 174 OE2 GLU A 16 8.770 -7.764 -2.084 1.00 0.00 O ATOM 0 H GLU A 16 9.607 -2.868 -2.485 1.00 0.00 H new ATOM 0 HA GLU A 16 8.390 -3.400 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.660 -5.716 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.143 -4.848 -4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.593 -4.726 -1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.997 -5.390 -2.006 1.00 0.00 H new ATOM 181 N ALA A 17 6.594 -3.068 -2.437 1.00 0.00 N ATOM 182 CA ALA A 17 5.225 -2.917 -2.007 1.00 0.00 C ATOM 183 C ALA A 17 4.789 -1.467 -2.180 1.00 0.00 C ATOM 184 O ALA A 17 3.738 -1.217 -2.759 1.00 0.00 O ATOM 185 CB ALA A 17 5.068 -3.406 -0.570 1.00 0.00 C ATOM 0 H ALA A 17 7.279 -2.641 -1.813 1.00 0.00 H new ATOM 0 HA ALA A 17 4.571 -3.532 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.031 -3.287 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.347 -4.458 -0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.714 -2.822 0.086 1.00 0.00 H new ATOM 191 N ILE A 18 5.585 -0.516 -1.687 1.00 0.00 N ATOM 192 CA ILE A 18 5.244 0.895 -1.741 1.00 0.00 C ATOM 193 C ILE A 18 5.031 1.375 -3.159 1.00 0.00 C ATOM 194 O ILE A 18 4.011 1.992 -3.423 1.00 0.00 O ATOM 195 CB ILE A 18 6.329 1.729 -1.052 1.00 0.00 C ATOM 196 CG1 ILE A 18 6.013 1.699 0.437 1.00 0.00 C ATOM 197 CG2 ILE A 18 6.333 3.183 -1.537 1.00 0.00 C ATOM 198 CD1 ILE A 18 7.182 2.236 1.255 1.00 0.00 C ATOM 0 H ILE A 18 6.482 -0.709 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 18 4.301 1.024 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 18 7.311 1.315 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.122 2.295 0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.788 0.678 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.118 3.736 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.517 3.208 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.367 3.640 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.930 2.203 2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.065 1.623 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.388 3.266 0.963 1.00 0.00 H new ATOM 210 N GLU A 19 5.956 1.114 -4.080 1.00 0.00 N ATOM 211 CA GLU A 19 5.786 1.667 -5.410 1.00 0.00 C ATOM 212 C GLU A 19 4.675 0.950 -6.167 1.00 0.00 C ATOM 213 O GLU A 19 4.124 1.497 -7.119 1.00 0.00 O ATOM 214 CB GLU A 19 7.107 1.640 -6.165 1.00 0.00 C ATOM 215 CG GLU A 19 8.146 2.383 -5.335 1.00 0.00 C ATOM 216 CD GLU A 19 9.293 2.893 -6.203 1.00 0.00 C ATOM 217 OE1 GLU A 19 10.139 2.061 -6.600 1.00 0.00 O ATOM 218 OE2 GLU A 19 9.317 4.117 -6.466 1.00 0.00 O ATOM 0 H GLU A 19 6.793 0.549 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 19 5.479 2.709 -5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.424 0.612 -6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.996 2.109 -7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.673 3.222 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.539 1.721 -4.563 1.00 0.00 H new ATOM 225 N SER A 20 4.342 -0.269 -5.743 1.00 0.00 N ATOM 226 CA SER A 20 3.298 -1.042 -6.399 1.00 0.00 C ATOM 227 C SER A 20 1.952 -0.581 -5.856 1.00 0.00 C ATOM 228 O SER A 20 0.937 -0.572 -6.553 1.00 0.00 O ATOM 229 CB SER A 20 3.508 -2.525 -6.102 1.00 0.00 C ATOM 230 OG SER A 20 2.700 -3.302 -6.962 1.00 0.00 O ATOM 0 H SER A 20 4.781 -0.738 -4.950 1.00 0.00 H new ATOM 0 HA SER A 20 3.329 -0.894 -7.478 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.557 -2.788 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.258 -2.737 -5.062 1.00 0.00 H new ATOM 0 HG SER A 20 2.838 -4.253 -6.770 1.00 0.00 H new ATOM 236 N PHE A 21 1.973 -0.182 -4.587 1.00 0.00 N ATOM 237 CA PHE A 21 0.805 0.218 -3.845 1.00 0.00 C ATOM 238 C PHE A 21 0.465 1.654 -4.183 1.00 0.00 C ATOM 239 O PHE A 21 -0.626 1.958 -4.649 1.00 0.00 O ATOM 240 CB PHE A 21 1.169 0.087 -2.374 1.00 0.00 C ATOM 241 CG PHE A 21 0.032 0.321 -1.427 1.00 0.00 C ATOM 242 CD1 PHE A 21 -0.320 1.621 -1.053 1.00 0.00 C ATOM 243 CD2 PHE A 21 -0.661 -0.779 -0.921 1.00 0.00 C ATOM 244 CE1 PHE A 21 -1.375 1.823 -0.152 1.00 0.00 C ATOM 245 CE2 PHE A 21 -1.710 -0.582 -0.018 1.00 0.00 C ATOM 246 CZ PHE A 21 -2.066 0.718 0.368 1.00 0.00 C ATOM 0 H PHE A 21 2.833 -0.130 -4.041 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.063 -0.396 -4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.570 -0.912 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.966 0.795 -2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.218 2.466 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.388 -1.779 -1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.655 2.824 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.246 -1.430 0.382 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.875 0.869 1.068 1.00 0.00 H new ATOM 256 N THR A 22 1.429 2.538 -3.940 1.00 0.00 N ATOM 257 CA THR A 22 1.301 3.960 -4.173 1.00 0.00 C ATOM 258 C THR A 22 0.973 4.289 -5.631 1.00 0.00 C ATOM 259 O THR A 22 0.363 5.324 -5.895 1.00 0.00 O ATOM 260 CB THR A 22 2.611 4.590 -3.708 1.00 0.00 C ATOM 261 OG1 THR A 22 2.410 5.937 -3.352 1.00 0.00 O ATOM 262 CG2 THR A 22 3.674 4.503 -4.800 1.00 0.00 C ATOM 0 H THR A 22 2.340 2.271 -3.567 1.00 0.00 H new ATOM 0 HA THR A 22 0.459 4.368 -3.613 1.00 0.00 H new ATOM 0 HB THR A 22 2.958 4.036 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.572 6.022 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.598 4.959 -4.445 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.857 3.457 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.327 5.031 -5.688 1.00 0.00 H new ATOM 270 N SER A 23 1.362 3.432 -6.589 1.00 0.00 N ATOM 271 CA SER A 23 0.970 3.609 -7.972 1.00 0.00 C ATOM 272 C SER A 23 -0.420 3.043 -8.237 1.00 0.00 C ATOM 273 O SER A 23 -1.123 3.530 -9.122 1.00 0.00 O ATOM 274 CB SER A 23 1.998 2.885 -8.825 1.00 0.00 C ATOM 275 OG SER A 23 3.181 3.649 -8.909 1.00 0.00 O ATOM 0 H SER A 23 1.947 2.614 -6.418 1.00 0.00 H new ATOM 0 HA SER A 23 0.931 4.671 -8.213 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.216 1.908 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.596 2.711 -9.823 1.00 0.00 H new ATOM 0 HG SER A 23 3.877 3.236 -8.356 1.00 0.00 H new ATOM 281 N LEU A 24 -0.832 2.023 -7.478 1.00 0.00 N ATOM 282 CA LEU A 24 -2.150 1.417 -7.610 1.00 0.00 C ATOM 283 C LEU A 24 -3.215 2.193 -6.821 1.00 0.00 C ATOM 284 O LEU A 24 -4.410 1.991 -7.039 1.00 0.00 O ATOM 285 CB LEU A 24 -2.036 -0.038 -7.143 1.00 0.00 C ATOM 286 CG LEU A 24 -3.335 -0.839 -7.236 1.00 0.00 C ATOM 287 CD1 LEU A 24 -3.875 -0.866 -8.666 1.00 0.00 C ATOM 288 CD2 LEU A 24 -3.030 -2.266 -6.784 1.00 0.00 C ATOM 0 H LEU A 24 -0.255 1.597 -6.753 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.477 1.449 -8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.272 -0.538 -7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.691 -0.048 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.093 -0.373 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.799 -1.444 -8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.073 0.153 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.138 -1.326 -9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.938 -2.867 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.269 -2.699 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.665 -2.252 -5.757 1.00 0.00 H new ATOM 300 N THR A 25 -2.793 3.078 -5.910 1.00 0.00 N ATOM 301 CA THR A 25 -3.698 3.869 -5.082 1.00 0.00 C ATOM 302 C THR A 25 -3.475 5.356 -5.262 1.00 0.00 C ATOM 303 O THR A 25 -4.170 6.164 -4.648 1.00 0.00 O ATOM 304 CB THR A 25 -3.546 3.499 -3.603 1.00 0.00 C ATOM 305 OG1 THR A 25 -2.292 3.953 -3.150 1.00 0.00 O ATOM 306 CG2 THR A 25 -3.619 1.994 -3.377 1.00 0.00 C ATOM 0 H THR A 25 -1.806 3.263 -5.729 1.00 0.00 H new ATOM 0 HA THR A 25 -4.712 3.637 -5.409 1.00 0.00 H new ATOM 0 HB THR A 25 -4.365 3.966 -3.057 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.583 3.403 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.506 1.780 -2.314 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.583 1.621 -3.722 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.820 1.503 -3.933 1.00 0.00 H new ATOM 314 N LYS A 26 -2.505 5.717 -6.112 1.00 0.00 N ATOM 315 CA LYS A 26 -2.325 7.087 -6.555 1.00 0.00 C ATOM 316 C LYS A 26 -1.970 8.030 -5.405 1.00 0.00 C ATOM 317 O LYS A 26 -1.998 9.250 -5.576 1.00 0.00 O ATOM 318 CB LYS A 26 -3.587 7.507 -7.324 1.00 0.00 C ATOM 319 CG LYS A 26 -4.140 6.369 -8.197 1.00 0.00 C ATOM 320 CD LYS A 26 -3.219 6.072 -9.382 1.00 0.00 C ATOM 321 CE LYS A 26 -3.730 4.855 -10.149 1.00 0.00 C ATOM 322 NZ LYS A 26 -5.007 5.142 -10.831 1.00 0.00 N ATOM 0 H LYS A 26 -1.829 5.062 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.467 7.152 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.353 7.825 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.358 8.367 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.258 5.470 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.130 6.639 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.174 6.937 -10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.205 5.889 -9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.985 4.547 -10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.863 4.020 -9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.249 4.352 -11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.759 5.262 -10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.914 6.015 -11.389 1.00 0.00 H new ATOM 336 N CYS A 27 -1.636 7.476 -4.234 1.00 0.00 N ATOM 337 CA CYS A 27 -1.257 8.259 -3.066 1.00 0.00 C ATOM 338 C CYS A 27 0.239 8.565 -3.085 1.00 0.00 C ATOM 339 O CYS A 27 0.932 8.284 -4.063 1.00 0.00 O ATOM 340 CB CYS A 27 -1.657 7.491 -1.803 1.00 0.00 C ATOM 341 SG CYS A 27 -0.591 6.039 -1.590 1.00 0.00 S ATOM 0 H CYS A 27 -1.623 6.468 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.780 9.216 -3.078 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.576 8.141 -0.932 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.699 7.179 -1.873 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.129 5.015 -2.182 1.00 0.00 H new ATOM 347 N ASP A 28 0.741 9.146 -1.991 1.00 0.00 N ATOM 348 CA ASP A 28 2.161 9.415 -1.820 1.00 0.00 C ATOM 349 C ASP A 28 2.845 8.173 -1.238 1.00 0.00 C ATOM 350 O ASP A 28 2.232 7.462 -0.440 1.00 0.00 O ATOM 351 CB ASP A 28 2.320 10.646 -0.929 1.00 0.00 C ATOM 352 CG ASP A 28 3.779 11.028 -0.728 1.00 0.00 C ATOM 353 OD1 ASP A 28 4.400 10.445 0.188 1.00 0.00 O ATOM 354 OD2 ASP A 28 4.261 11.896 -1.488 1.00 0.00 O ATOM 0 H ASP A 28 0.168 9.441 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 28 2.641 9.629 -2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.785 11.485 -1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.860 10.452 0.040 1.00 0.00 H new ATOM 359 N PRO A 29 4.101 7.884 -1.611 1.00 0.00 N ATOM 360 CA PRO A 29 4.824 6.710 -1.143 1.00 0.00 C ATOM 361 C PRO A 29 4.888 6.590 0.379 1.00 0.00 C ATOM 362 O PRO A 29 5.061 5.489 0.901 1.00 0.00 O ATOM 363 CB PRO A 29 6.230 6.851 -1.729 1.00 0.00 C ATOM 364 CG PRO A 29 6.003 7.681 -2.990 1.00 0.00 C ATOM 365 CD PRO A 29 4.908 8.642 -2.547 1.00 0.00 C ATOM 0 HA PRO A 29 4.311 5.804 -1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.907 7.350 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.669 5.880 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.906 8.207 -3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.688 7.065 -3.832 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.329 9.530 -2.076 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.314 8.982 -3.395 1.00 0.00 H new ATOM 373 N LYS A 30 4.753 7.708 1.101 1.00 0.00 N ATOM 374 CA LYS A 30 4.822 7.713 2.558 1.00 0.00 C ATOM 375 C LYS A 30 3.480 7.354 3.175 1.00 0.00 C ATOM 376 O LYS A 30 3.399 7.089 4.373 1.00 0.00 O ATOM 377 CB LYS A 30 5.298 9.080 3.040 1.00 0.00 C ATOM 378 CG LYS A 30 6.635 9.377 2.364 1.00 0.00 C ATOM 379 CD LYS A 30 7.324 10.593 2.980 1.00 0.00 C ATOM 380 CE LYS A 30 6.431 11.830 2.881 1.00 0.00 C ATOM 381 NZ LYS A 30 6.153 12.193 1.476 1.00 0.00 N ATOM 0 H LYS A 30 4.594 8.628 0.690 1.00 0.00 H new ATOM 0 HA LYS A 30 5.536 6.954 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.566 9.848 2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.409 9.085 4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.287 8.508 2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.474 9.551 1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.561 10.392 4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.269 10.779 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.492 11.643 3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.913 12.668 3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.722 13.139 1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.042 12.197 0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.499 11.499 1.061 1.00 0.00 H new ATOM 395 N VAL A 31 2.426 7.342 2.359 1.00 0.00 N ATOM 396 CA VAL A 31 1.107 6.908 2.806 1.00 0.00 C ATOM 397 C VAL A 31 1.019 5.395 2.660 1.00 0.00 C ATOM 398 O VAL A 31 0.453 4.726 3.521 1.00 0.00 O ATOM 399 CB VAL A 31 -0.001 7.613 2.019 1.00 0.00 C ATOM 400 CG1 VAL A 31 -1.375 7.179 2.527 1.00 0.00 C ATOM 401 CG2 VAL A 31 0.116 9.128 2.190 1.00 0.00 C ATOM 0 H VAL A 31 2.463 7.630 1.381 1.00 0.00 H new ATOM 0 HA VAL A 31 0.967 7.177 3.853 1.00 0.00 H new ATOM 0 HB VAL A 31 0.108 7.343 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.151 7.689 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.484 6.101 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.471 7.436 3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.677 9.620 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.023 9.383 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.085 9.462 1.820 1.00 0.00 H new ATOM 411 N SER A 32 1.582 4.844 1.578 1.00 0.00 N ATOM 412 CA SER A 32 1.642 3.398 1.425 1.00 0.00 C ATOM 413 C SER A 32 2.385 2.810 2.619 1.00 0.00 C ATOM 414 O SER A 32 1.958 1.817 3.204 1.00 0.00 O ATOM 415 CB SER A 32 2.383 3.046 0.138 1.00 0.00 C ATOM 416 OG SER A 32 2.521 1.645 0.081 1.00 0.00 O ATOM 0 H SER A 32 1.995 5.374 0.810 1.00 0.00 H new ATOM 0 HA SER A 32 0.633 2.989 1.376 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.833 3.410 -0.730 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.362 3.526 0.119 1.00 0.00 H new ATOM 0 HG SER A 32 1.656 1.240 -0.138 1.00 0.00 H new ATOM 422 N ARG A 33 3.504 3.445 2.979 1.00 0.00 N ATOM 423 CA ARG A 33 4.331 3.092 4.125 1.00 0.00 C ATOM 424 C ARG A 33 3.535 3.076 5.422 1.00 0.00 C ATOM 425 O ARG A 33 3.937 2.398 6.358 1.00 0.00 O ATOM 426 CB ARG A 33 5.465 4.123 4.179 1.00 0.00 C ATOM 427 CG ARG A 33 6.351 3.958 5.408 1.00 0.00 C ATOM 428 CD ARG A 33 7.565 4.881 5.300 1.00 0.00 C ATOM 429 NE ARG A 33 8.438 4.744 6.473 1.00 0.00 N ATOM 430 CZ ARG A 33 8.291 5.436 7.604 1.00 0.00 C ATOM 431 NH1 ARG A 33 7.300 6.314 7.750 1.00 0.00 N ATOM 432 NH2 ARG A 33 9.140 5.252 8.610 1.00 0.00 N ATOM 0 H ARG A 33 3.867 4.245 2.460 1.00 0.00 H new ATOM 0 HA ARG A 33 4.724 2.081 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.076 4.033 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.039 5.126 4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.785 4.191 6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.677 2.922 5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.126 4.645 4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.233 5.915 5.209 1.00 0.00 H new ATOM 0 HE ARG A 33 9.207 4.076 6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.638 6.466 6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.204 6.834 8.622 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.903 4.582 8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.028 5.781 9.475 1.00 0.00 H new ATOM 446 N LYS A 34 2.415 3.792 5.527 1.00 0.00 N ATOM 447 CA LYS A 34 1.678 3.799 6.784 1.00 0.00 C ATOM 448 C LYS A 34 0.443 2.907 6.746 1.00 0.00 C ATOM 449 O LYS A 34 -0.195 2.730 7.781 1.00 0.00 O ATOM 450 CB LYS A 34 1.301 5.233 7.145 1.00 0.00 C ATOM 451 CG LYS A 34 2.562 6.047 7.441 1.00 0.00 C ATOM 452 CD LYS A 34 2.214 7.484 7.830 1.00 0.00 C ATOM 453 CE LYS A 34 1.447 8.198 6.716 1.00 0.00 C ATOM 454 NZ LYS A 34 1.126 9.587 7.097 1.00 0.00 N ATOM 0 H LYS A 34 2.010 4.357 4.780 1.00 0.00 H new ATOM 0 HA LYS A 34 2.330 3.386 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.748 5.690 6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.643 5.237 8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.122 5.574 8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.209 6.051 6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.615 7.480 8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.129 8.033 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.042 8.197 5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.527 7.656 6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.606 10.048 6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.539 9.585 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.007 10.109 7.281 1.00 0.00 H new ATOM 468 N TYR A 35 0.097 2.345 5.586 1.00 0.00 N ATOM 469 CA TYR A 35 -0.942 1.322 5.511 1.00 0.00 C ATOM 470 C TYR A 35 -0.288 -0.044 5.358 1.00 0.00 C ATOM 471 O TYR A 35 -0.930 -1.070 5.576 1.00 0.00 O ATOM 472 CB TYR A 35 -1.897 1.608 4.350 1.00 0.00 C ATOM 473 CG TYR A 35 -2.947 2.653 4.661 1.00 0.00 C ATOM 474 CD1 TYR A 35 -2.601 4.010 4.733 1.00 0.00 C ATOM 475 CD2 TYR A 35 -4.276 2.257 4.876 1.00 0.00 C ATOM 476 CE1 TYR A 35 -3.581 4.971 5.018 1.00 0.00 C ATOM 477 CE2 TYR A 35 -5.263 3.209 5.166 1.00 0.00 C ATOM 478 CZ TYR A 35 -4.915 4.575 5.240 1.00 0.00 C ATOM 479 OH TYR A 35 -5.859 5.513 5.527 1.00 0.00 O ATOM 0 H TYR A 35 0.521 2.582 4.689 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.530 1.333 6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.317 1.936 3.488 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.395 0.681 4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.578 4.315 4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.540 1.211 4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.313 6.016 5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.284 2.899 5.332 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.619 6.361 5.097 1.00 0.00 H new ATOM 489 N LEU A 36 0.994 -0.061 4.989 1.00 0.00 N ATOM 490 CA LEU A 36 1.769 -1.287 4.939 1.00 0.00 C ATOM 491 C LEU A 36 2.223 -1.629 6.353 1.00 0.00 C ATOM 492 O LEU A 36 2.215 -2.794 6.737 1.00 0.00 O ATOM 493 CB LEU A 36 2.963 -1.098 3.994 1.00 0.00 C ATOM 494 CG LEU A 36 2.546 -1.176 2.523 1.00 0.00 C ATOM 495 CD1 LEU A 36 3.725 -0.756 1.653 1.00 0.00 C ATOM 496 CD2 LEU A 36 2.151 -2.594 2.118 1.00 0.00 C ATOM 0 H LEU A 36 1.515 0.773 4.719 1.00 0.00 H new ATOM 0 HA LEU A 36 1.168 -2.111 4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.430 -0.132 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.713 -1.862 4.200 1.00 0.00 H new ATOM 0 HG LEU A 36 1.687 -0.519 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.439 -0.808 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.014 0.265 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.567 -1.425 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.862 -2.605 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.997 -3.264 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.311 -2.926 2.729 1.00 0.00 H new ATOM 508 N GLN A 37 2.614 -0.622 7.139 1.00 0.00 N ATOM 509 CA GLN A 37 2.998 -0.838 8.526 1.00 0.00 C ATOM 510 C GLN A 37 1.806 -1.251 9.389 1.00 0.00 C ATOM 511 O GLN A 37 1.986 -1.685 10.527 1.00 0.00 O ATOM 512 CB GLN A 37 3.658 0.419 9.057 1.00 0.00 C ATOM 513 CG GLN A 37 4.990 0.535 8.319 1.00 0.00 C ATOM 514 CD GLN A 37 5.872 1.612 8.893 1.00 0.00 C ATOM 515 OE1 GLN A 37 6.747 1.350 9.716 1.00 0.00 O ATOM 516 NE2 GLN A 37 5.652 2.837 8.469 1.00 0.00 N ATOM 0 H GLN A 37 2.671 0.349 6.833 1.00 0.00 H new ATOM 0 HA GLN A 37 3.708 -1.664 8.571 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.034 1.294 8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.812 0.354 10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.512 -0.421 8.364 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.802 0.746 7.266 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.917 3.016 7.785 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.217 3.609 8.824 1.00 0.00 H new ATOM 525 N ARG A 38 0.588 -1.122 8.853 1.00 0.00 N ATOM 526 CA ARG A 38 -0.622 -1.555 9.539 1.00 0.00 C ATOM 527 C ARG A 38 -0.920 -3.024 9.254 1.00 0.00 C ATOM 528 O ARG A 38 -1.759 -3.620 9.925 1.00 0.00 O ATOM 529 CB ARG A 38 -1.799 -0.705 9.053 1.00 0.00 C ATOM 530 CG ARG A 38 -1.727 0.708 9.620 1.00 0.00 C ATOM 531 CD ARG A 38 -2.839 1.601 9.063 1.00 0.00 C ATOM 532 NE ARG A 38 -4.155 0.960 9.142 1.00 0.00 N ATOM 533 CZ ARG A 38 -4.885 0.830 10.251 1.00 0.00 C ATOM 534 NH1 ARG A 38 -4.478 1.344 11.410 1.00 0.00 N ATOM 535 NH2 ARG A 38 -6.044 0.176 10.201 1.00 0.00 N ATOM 0 H ARG A 38 0.419 -0.715 7.933 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.475 -1.434 10.612 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.796 -0.664 7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.737 -1.173 9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.803 0.668 10.707 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.757 1.145 9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.860 2.540 9.616 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.619 1.848 8.024 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.544 0.582 8.278 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.593 1.848 11.461 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.051 1.233 12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.368 -0.221 9.319 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.608 0.072 11.045 1.00 0.00 H new ATOM 549 N ASN A 39 -0.237 -3.604 8.261 1.00 0.00 N ATOM 550 CA ASN A 39 -0.544 -4.938 7.766 1.00 0.00 C ATOM 551 C ASN A 39 0.729 -5.715 7.433 1.00 0.00 C ATOM 552 O ASN A 39 0.753 -6.478 6.468 1.00 0.00 O ATOM 553 CB ASN A 39 -1.475 -4.824 6.556 1.00 0.00 C ATOM 554 CG ASN A 39 -2.783 -4.128 6.910 1.00 0.00 C ATOM 555 OD1 ASN A 39 -3.751 -4.777 7.295 1.00 0.00 O ATOM 556 ND2 ASN A 39 -2.817 -2.804 6.782 1.00 0.00 N ATOM 0 H ASN A 39 0.544 -3.156 7.782 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.054 -5.502 8.547 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.973 -4.271 5.762 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.687 -5.819 6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.670 -2.292 7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.990 -2.301 6.459 1.00 0.00 H new ATOM 563 N HIS A 40 1.788 -5.519 8.230 1.00 0.00 N ATOM 564 CA HIS A 40 3.053 -6.239 8.083 1.00 0.00 C ATOM 565 C HIS A 40 3.548 -6.256 6.633 1.00 0.00 C ATOM 566 O HIS A 40 4.018 -7.272 6.129 1.00 0.00 O ATOM 567 CB HIS A 40 2.987 -7.622 8.746 1.00 0.00 C ATOM 568 CG HIS A 40 1.739 -8.419 8.495 1.00 0.00 C ATOM 569 ND1 HIS A 40 0.482 -8.184 9.061 1.00 0.00 N ATOM 570 CD2 HIS A 40 1.670 -9.518 7.692 1.00 0.00 C ATOM 571 CE1 HIS A 40 -0.311 -9.151 8.572 1.00 0.00 C ATOM 572 NE2 HIS A 40 0.373 -9.968 7.751 1.00 0.00 N ATOM 0 H HIS A 40 1.787 -4.850 9.000 1.00 0.00 H new ATOM 0 HA HIS A 40 3.820 -5.688 8.626 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.841 -8.207 8.405 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.100 -7.492 9.822 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.223 -7.438 9.707 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.478 -9.951 7.120 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.360 -9.259 8.807 1.00 0.00 H new ATOM 580 N TRP A 41 3.425 -5.099 5.972 1.00 0.00 N ATOM 581 CA TRP A 41 3.821 -4.868 4.591 1.00 0.00 C ATOM 582 C TRP A 41 3.261 -5.913 3.629 1.00 0.00 C ATOM 583 O TRP A 41 3.926 -6.295 2.665 1.00 0.00 O ATOM 584 CB TRP A 41 5.334 -4.655 4.457 1.00 0.00 C ATOM 585 CG TRP A 41 5.884 -3.432 5.113 1.00 0.00 C ATOM 586 CD1 TRP A 41 5.838 -3.138 6.429 1.00 0.00 C ATOM 587 CD2 TRP A 41 6.572 -2.307 4.487 1.00 0.00 C ATOM 588 NE1 TRP A 41 6.469 -1.941 6.660 1.00 0.00 N ATOM 589 CE2 TRP A 41 6.911 -1.359 5.493 1.00 0.00 C ATOM 590 CE3 TRP A 41 6.927 -1.980 3.167 1.00 0.00 C ATOM 591 CZ2 TRP A 41 7.566 -0.154 5.212 1.00 0.00 C ATOM 592 CZ3 TRP A 41 7.548 -0.762 2.866 1.00 0.00 C ATOM 593 CH2 TRP A 41 7.899 0.137 3.882 1.00 0.00 C ATOM 0 H TRP A 41 3.029 -4.267 6.410 1.00 0.00 H new ATOM 0 HA TRP A 41 3.358 -3.930 4.283 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.841 -5.525 4.873 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.583 -4.617 3.396 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.374 -3.752 7.187 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.595 -1.532 7.586 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.717 -2.680 2.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.810 0.538 6.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.759 -0.512 1.837 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.424 1.050 3.641 1.00 0.00 H new ATOM 604 N ASN A 42 2.038 -6.382 3.887 1.00 0.00 N ATOM 605 CA ASN A 42 1.340 -7.278 2.990 1.00 0.00 C ATOM 606 C ASN A 42 0.518 -6.399 2.064 1.00 0.00 C ATOM 607 O ASN A 42 -0.359 -5.677 2.533 1.00 0.00 O ATOM 608 CB ASN A 42 0.427 -8.203 3.783 1.00 0.00 C ATOM 609 CG ASN A 42 -0.146 -9.284 2.881 1.00 0.00 C ATOM 610 OD1 ASN A 42 -1.005 -9.009 2.049 1.00 0.00 O ATOM 611 ND2 ASN A 42 0.325 -10.518 3.037 1.00 0.00 N ATOM 0 H ASN A 42 1.511 -6.145 4.728 1.00 0.00 H new ATOM 0 HA ASN A 42 2.036 -7.902 2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.984 -8.660 4.601 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.383 -7.628 4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.028 -11.276 2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.039 -10.706 3.740 1.00 0.00 H new ATOM 618 N ILE A 43 0.783 -6.444 0.762 1.00 0.00 N ATOM 619 CA ILE A 43 0.156 -5.476 -0.116 1.00 0.00 C ATOM 620 C ILE A 43 -1.327 -5.784 -0.335 1.00 0.00 C ATOM 621 O ILE A 43 -2.073 -4.907 -0.757 1.00 0.00 O ATOM 622 CB ILE A 43 0.938 -5.397 -1.432 1.00 0.00 C ATOM 623 CG1 ILE A 43 0.746 -4.008 -2.047 1.00 0.00 C ATOM 624 CG2 ILE A 43 0.488 -6.497 -2.392 1.00 0.00 C ATOM 625 CD1 ILE A 43 1.500 -3.863 -3.369 1.00 0.00 C ATOM 0 H ILE A 43 1.404 -7.115 0.309 1.00 0.00 H new ATOM 0 HA ILE A 43 0.188 -4.495 0.359 1.00 0.00 H new ATOM 0 HB ILE A 43 1.999 -5.552 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.316 -3.828 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.093 -3.249 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.055 -6.424 -3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.662 -7.472 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.575 -6.381 -2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.338 -2.864 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.566 -4.017 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.135 -4.605 -4.079 1.00 0.00 H new ATOM 637 N ASN A 44 -1.769 -7.012 -0.051 1.00 0.00 N ATOM 638 CA ASN A 44 -3.151 -7.386 -0.303 1.00 0.00 C ATOM 639 C ASN A 44 -3.999 -6.958 0.883 1.00 0.00 C ATOM 640 O ASN A 44 -5.106 -6.440 0.726 1.00 0.00 O ATOM 641 CB ASN A 44 -3.226 -8.900 -0.520 1.00 0.00 C ATOM 642 CG ASN A 44 -4.672 -9.363 -0.582 1.00 0.00 C ATOM 643 OD1 ASN A 44 -5.145 -10.068 0.304 1.00 0.00 O ATOM 644 ND2 ASN A 44 -5.385 -8.967 -1.626 1.00 0.00 N ATOM 0 H ASN A 44 -1.193 -7.752 0.349 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.529 -6.891 -1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.714 -9.166 -1.445 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.709 -9.414 0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.362 -9.248 -1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.957 -8.381 -2.343 1.00 0.00 H new ATOM 651 N TYR A 45 -3.457 -7.178 2.076 1.00 0.00 N ATOM 652 CA TYR A 45 -4.091 -6.810 3.324 1.00 0.00 C ATOM 653 C TYR A 45 -4.085 -5.294 3.479 1.00 0.00 C ATOM 654 O TYR A 45 -5.044 -4.716 3.991 1.00 0.00 O ATOM 655 CB TYR A 45 -3.271 -7.430 4.448 1.00 0.00 C ATOM 656 CG TYR A 45 -3.130 -8.939 4.435 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.901 -9.738 3.575 1.00 0.00 C ATOM 658 CD2 TYR A 45 -2.201 -9.541 5.297 1.00 0.00 C ATOM 659 CE1 TYR A 45 -3.724 -11.126 3.553 1.00 0.00 C ATOM 660 CE2 TYR A 45 -2.020 -10.932 5.286 1.00 0.00 C ATOM 661 CZ TYR A 45 -2.782 -11.731 4.411 1.00 0.00 C ATOM 662 OH TYR A 45 -2.613 -13.086 4.390 1.00 0.00 O ATOM 0 H TYR A 45 -2.549 -7.625 2.198 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.123 -7.161 3.348 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.272 -6.995 4.421 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.720 -7.138 5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.634 -9.279 2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.622 -8.930 5.973 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.309 -11.734 2.879 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.298 -11.389 5.947 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.926 -13.340 5.041 1.00 0.00 H new ATOM 672 N ALA A 46 -3.004 -4.651 3.034 1.00 0.00 N ATOM 673 CA ALA A 46 -2.859 -3.211 3.129 1.00 0.00 C ATOM 674 C ALA A 46 -3.760 -2.493 2.124 1.00 0.00 C ATOM 675 O ALA A 46 -4.155 -1.352 2.362 1.00 0.00 O ATOM 676 CB ALA A 46 -1.387 -2.867 2.899 1.00 0.00 C ATOM 0 H ALA A 46 -2.209 -5.120 2.599 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.169 -2.873 4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.251 -1.788 2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.776 -3.357 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.083 -3.211 1.910 1.00 0.00 H new ATOM 682 N LEU A 47 -4.095 -3.145 1.003 1.00 0.00 N ATOM 683 CA LEU A 47 -4.969 -2.530 0.013 1.00 0.00 C ATOM 684 C LEU A 47 -6.418 -2.573 0.484 1.00 0.00 C ATOM 685 O LEU A 47 -7.176 -1.646 0.211 1.00 0.00 O ATOM 686 CB LEU A 47 -4.825 -3.237 -1.341 1.00 0.00 C ATOM 687 CG LEU A 47 -3.603 -2.747 -2.123 1.00 0.00 C ATOM 688 CD1 LEU A 47 -3.386 -3.655 -3.332 1.00 0.00 C ATOM 689 CD2 LEU A 47 -3.805 -1.320 -2.627 1.00 0.00 C ATOM 0 H LEU A 47 -3.776 -4.085 0.767 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.675 -1.487 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.744 -4.312 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.724 -3.070 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.742 -2.769 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.517 -3.312 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.219 -4.678 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.267 -3.625 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.921 -1.000 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.674 -1.286 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.965 -0.654 -1.779 1.00 0.00 H new ATOM 701 N ASN A 48 -6.813 -3.634 1.191 1.00 0.00 N ATOM 702 CA ASN A 48 -8.169 -3.733 1.708 1.00 0.00 C ATOM 703 C ASN A 48 -8.364 -2.735 2.851 1.00 0.00 C ATOM 704 O ASN A 48 -9.451 -2.184 3.012 1.00 0.00 O ATOM 705 CB ASN A 48 -8.442 -5.166 2.165 1.00 0.00 C ATOM 706 CG ASN A 48 -8.834 -6.058 0.997 1.00 0.00 C ATOM 707 OD1 ASN A 48 -10.014 -6.271 0.742 1.00 0.00 O ATOM 708 ND2 ASN A 48 -7.851 -6.586 0.271 1.00 0.00 N ATOM 0 H ASN A 48 -6.214 -4.429 1.415 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.882 -3.486 0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.554 -5.570 2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.239 -5.166 2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.070 -7.187 -0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.879 -6.389 0.509 1.00 0.00 H new ATOM 715 N ASP A 49 -7.319 -2.493 3.646 1.00 0.00 N ATOM 716 CA ASP A 49 -7.391 -1.545 4.748 1.00 0.00 C ATOM 717 C ASP A 49 -7.465 -0.116 4.213 1.00 0.00 C ATOM 718 O ASP A 49 -8.209 0.704 4.738 1.00 0.00 O ATOM 719 CB ASP A 49 -6.169 -1.762 5.640 1.00 0.00 C ATOM 720 CG ASP A 49 -6.198 -0.859 6.862 1.00 0.00 C ATOM 721 OD1 ASP A 49 -6.999 -1.141 7.782 1.00 0.00 O ATOM 722 OD2 ASP A 49 -5.418 0.116 6.879 1.00 0.00 O ATOM 0 H ASP A 49 -6.411 -2.946 3.542 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.293 -1.705 5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.131 -2.804 5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.262 -1.570 5.067 1.00 0.00 H new ATOM 727 N TYR A 50 -6.705 0.202 3.168 1.00 0.00 N ATOM 728 CA TYR A 50 -6.740 1.516 2.552 1.00 0.00 C ATOM 729 C TYR A 50 -8.066 1.749 1.835 1.00 0.00 C ATOM 730 O TYR A 50 -8.597 2.860 1.862 1.00 0.00 O ATOM 731 CB TYR A 50 -5.550 1.596 1.602 1.00 0.00 C ATOM 732 CG TYR A 50 -5.387 2.917 0.887 1.00 0.00 C ATOM 733 CD1 TYR A 50 -6.197 3.202 -0.218 1.00 0.00 C ATOM 734 CD2 TYR A 50 -4.431 3.847 1.317 1.00 0.00 C ATOM 735 CE1 TYR A 50 -6.069 4.421 -0.892 1.00 0.00 C ATOM 736 CE2 TYR A 50 -4.284 5.068 0.640 1.00 0.00 C ATOM 737 CZ TYR A 50 -5.109 5.361 -0.466 1.00 0.00 C ATOM 738 OH TYR A 50 -4.977 6.549 -1.120 1.00 0.00 O ATOM 0 H TYR A 50 -6.051 -0.446 2.729 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.667 2.302 3.303 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.640 1.392 2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.647 0.807 0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.925 2.477 -0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.807 3.624 2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.704 4.641 -1.737 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.541 5.781 0.965 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.454 7.169 -0.570 1.00 0.00 H new ATOM 748 N TYR A 51 -8.612 0.714 1.196 1.00 0.00 N ATOM 749 CA TYR A 51 -9.927 0.800 0.583 1.00 0.00 C ATOM 750 C TYR A 51 -11.014 0.804 1.656 1.00 0.00 C ATOM 751 O TYR A 51 -12.180 1.041 1.352 1.00 0.00 O ATOM 752 CB TYR A 51 -10.127 -0.358 -0.402 1.00 0.00 C ATOM 753 CG TYR A 51 -9.193 -0.369 -1.598 1.00 0.00 C ATOM 754 CD1 TYR A 51 -8.511 0.795 -1.994 1.00 0.00 C ATOM 755 CD2 TYR A 51 -9.014 -1.561 -2.320 1.00 0.00 C ATOM 756 CE1 TYR A 51 -7.663 0.769 -3.110 1.00 0.00 C ATOM 757 CE2 TYR A 51 -8.169 -1.594 -3.438 1.00 0.00 C ATOM 758 CZ TYR A 51 -7.493 -0.425 -3.842 1.00 0.00 C ATOM 759 OH TYR A 51 -6.677 -0.453 -4.932 1.00 0.00 O ATOM 0 H TYR A 51 -8.158 -0.194 1.092 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.999 1.735 0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.007 -1.297 0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.154 -0.329 -0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.641 1.711 -1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.531 -2.458 -2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.139 1.664 -3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.036 -2.513 -3.989 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.675 -1.355 -5.316 1.00 0.00 H new ATOM 769 N ASP A 52 -10.640 0.548 2.914 1.00 0.00 N ATOM 770 CA ASP A 52 -11.571 0.625 4.033 1.00 0.00 C ATOM 771 C ASP A 52 -11.548 2.015 4.673 1.00 0.00 C ATOM 772 O ASP A 52 -12.416 2.337 5.485 1.00 0.00 O ATOM 773 CB ASP A 52 -11.206 -0.450 5.055 1.00 0.00 C ATOM 774 CG ASP A 52 -12.188 -0.493 6.220 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.367 -0.835 5.979 1.00 0.00 O ATOM 776 OD2 ASP A 52 -11.744 -0.180 7.350 1.00 0.00 O ATOM 0 H ASP A 52 -9.691 0.284 3.179 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.584 0.453 3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.184 -1.423 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.202 -0.262 5.435 1.00 0.00 H new ATOM 781 N LYS A 53 -10.557 2.841 4.313 1.00 0.00 N ATOM 782 CA LYS A 53 -10.362 4.157 4.907 1.00 0.00 C ATOM 783 C LYS A 53 -10.644 5.279 3.913 1.00 0.00 C ATOM 784 O LYS A 53 -11.213 6.303 4.285 1.00 0.00 O ATOM 785 CB LYS A 53 -8.912 4.255 5.397 1.00 0.00 C ATOM 786 CG LYS A 53 -8.805 4.218 6.925 1.00 0.00 C ATOM 787 CD LYS A 53 -9.428 2.983 7.570 1.00 0.00 C ATOM 788 CE LYS A 53 -8.465 1.806 7.488 1.00 0.00 C ATOM 789 NZ LYS A 53 -9.096 0.580 8.009 1.00 0.00 N ATOM 0 H LYS A 53 -9.868 2.608 3.598 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.062 4.273 5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.333 3.433 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.469 5.180 5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.753 4.268 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.285 5.107 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.672 3.191 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.363 2.734 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.158 1.652 6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.563 2.027 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.502 -0.242 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.197 0.653 9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.035 0.462 7.577 1.00 0.00 H new ATOM 803 N GLU A 54 -10.246 5.092 2.652 1.00 0.00 N ATOM 804 CA GLU A 54 -10.310 6.130 1.642 1.00 0.00 C ATOM 805 C GLU A 54 -11.448 5.891 0.653 1.00 0.00 C ATOM 806 O GLU A 54 -12.098 6.837 0.217 1.00 0.00 O ATOM 807 CB GLU A 54 -8.966 6.103 0.926 1.00 0.00 C ATOM 808 CG GLU A 54 -7.816 6.397 1.890 1.00 0.00 C ATOM 809 CD GLU A 54 -7.840 7.847 2.370 1.00 0.00 C ATOM 810 OE1 GLU A 54 -7.533 8.737 1.542 1.00 0.00 O ATOM 811 OE2 GLU A 54 -8.164 8.061 3.558 1.00 0.00 O ATOM 0 H GLU A 54 -9.869 4.208 2.310 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.507 7.099 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.817 5.126 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.966 6.838 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.880 5.728 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.866 6.192 1.397 1.00 0.00 H new ATOM 818 N ILE A 55 -11.680 4.623 0.302 1.00 0.00 N ATOM 819 CA ILE A 55 -12.740 4.236 -0.614 1.00 0.00 C ATOM 820 C ILE A 55 -13.995 3.806 0.151 1.00 0.00 C ATOM 821 O ILE A 55 -15.077 3.719 -0.423 1.00 0.00 O ATOM 822 CB ILE A 55 -12.213 3.119 -1.529 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.893 3.525 -2.200 1.00 0.00 C ATOM 824 CG2 ILE A 55 -13.247 2.744 -2.593 1.00 0.00 C ATOM 825 CD1 ILE A 55 -11.021 4.765 -3.089 1.00 0.00 C ATOM 0 H ILE A 55 -11.131 3.837 0.651 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.030 5.088 -1.228 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.027 2.247 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.145 3.714 -1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.528 2.692 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -12.847 1.952 -3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -14.159 2.395 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.473 3.617 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.052 4.997 -3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.745 4.572 -3.880 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.357 5.610 -2.488 1.00 0.00 H new ATOM 837 N GLY A 56 -13.854 3.541 1.454 1.00 0.00 N ATOM 838 CA GLY A 56 -14.939 3.078 2.307 1.00 0.00 C ATOM 839 C GLY A 56 -15.913 4.190 2.702 1.00 0.00 C ATOM 840 O GLY A 56 -16.782 3.967 3.543 1.00 0.00 O ATOM 0 H GLY A 56 -12.967 3.646 1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.487 2.290 1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.519 2.635 3.210 1.00 0.00 H new ATOM 844 N THR A 57 -15.776 5.380 2.106 1.00 0.00 N ATOM 845 CA THR A 57 -16.608 6.535 2.432 1.00 0.00 C ATOM 846 C THR A 57 -17.226 7.149 1.177 1.00 0.00 C ATOM 847 O THR A 57 -17.534 8.341 1.132 1.00 0.00 O ATOM 848 CB THR A 57 -15.798 7.544 3.249 1.00 0.00 C ATOM 849 OG1 THR A 57 -16.628 8.590 3.697 1.00 0.00 O ATOM 850 CG2 THR A 57 -14.658 8.123 2.412 1.00 0.00 C ATOM 0 H THR A 57 -15.082 5.566 1.382 1.00 0.00 H new ATOM 0 HA THR A 57 -17.446 6.209 3.048 1.00 0.00 H new ATOM 0 HB THR A 57 -15.378 7.023 4.109 1.00 0.00 H new ATOM 0 HG1 THR A 57 -17.225 8.867 2.971 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.094 8.838 3.011 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.997 7.318 2.091 1.00 0.00 H new ATOM 0 HG23 THR A 57 -15.069 8.626 1.537 1.00 0.00 H new ATOM 858 N PHE A 58 -17.407 6.326 0.146 1.00 0.00 N ATOM 859 CA PHE A 58 -17.905 6.766 -1.144 1.00 0.00 C ATOM 860 C PHE A 58 -19.343 7.237 -1.098 1.00 0.00 C ATOM 861 O PHE A 58 -19.777 8.027 -1.935 1.00 0.00 O ATOM 862 CB PHE A 58 -17.822 5.614 -2.117 1.00 0.00 C ATOM 863 CG PHE A 58 -18.704 4.425 -1.825 1.00 0.00 C ATOM 864 CD1 PHE A 58 -18.360 3.535 -0.800 1.00 0.00 C ATOM 865 CD2 PHE A 58 -19.858 4.208 -2.587 1.00 0.00 C ATOM 866 CE1 PHE A 58 -19.155 2.409 -0.552 1.00 0.00 C ATOM 867 CE2 PHE A 58 -20.657 3.082 -2.341 1.00 0.00 C ATOM 868 CZ PHE A 58 -20.303 2.178 -1.325 1.00 0.00 C ATOM 0 H PHE A 58 -17.208 5.326 0.189 1.00 0.00 H new ATOM 0 HA PHE A 58 -17.288 7.610 -1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -18.070 5.987 -3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.788 5.272 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -17.481 3.717 -0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -20.133 4.907 -3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -18.885 1.719 0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -21.544 2.910 -2.932 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.914 1.307 -1.139 1.00 0.00 H new ATOM 878 N THR A 59 -20.079 6.738 -0.111 1.00 0.00 N ATOM 879 CA THR A 59 -21.494 6.998 0.033 1.00 0.00 C ATOM 880 C THR A 59 -21.803 8.407 0.537 1.00 0.00 C ATOM 881 O THR A 59 -22.784 8.615 1.247 1.00 0.00 O ATOM 882 CB THR A 59 -22.133 5.931 0.922 1.00 0.00 C ATOM 883 OG1 THR A 59 -21.517 5.922 2.191 1.00 0.00 O ATOM 884 CG2 THR A 59 -21.973 4.553 0.290 1.00 0.00 C ATOM 0 H THR A 59 -19.698 6.134 0.618 1.00 0.00 H new ATOM 0 HA THR A 59 -21.934 6.944 -0.963 1.00 0.00 H new ATOM 0 HB THR A 59 -23.192 6.165 1.029 1.00 0.00 H new ATOM 0 HG1 THR A 59 -21.935 5.236 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 59 -22.432 3.802 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 59 -22.459 4.542 -0.686 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.913 4.329 0.170 1.00 0.00 H new ATOM 892 N ASP A 60 -20.971 9.381 0.173 1.00 0.00 N ATOM 893 CA ASP A 60 -21.122 10.766 0.603 1.00 0.00 C ATOM 894 C ASP A 60 -22.076 11.532 -0.305 1.00 0.00 C ATOM 895 O ASP A 60 -22.344 12.718 -0.114 1.00 0.00 O ATOM 896 CB ASP A 60 -19.746 11.417 0.652 1.00 0.00 C ATOM 897 CG ASP A 60 -19.771 12.760 1.380 1.00 0.00 C ATOM 898 OD1 ASP A 60 -20.213 12.775 2.551 1.00 0.00 O ATOM 899 OD2 ASP A 60 -19.348 13.761 0.760 1.00 0.00 O ATOM 0 H ASP A 60 -20.166 9.227 -0.434 1.00 0.00 H new ATOM 0 HA ASP A 60 -21.564 10.789 1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -19.046 10.747 1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -19.378 11.562 -0.364 1.00 0.00 H new ATOM 904 N GLU A 61 -22.582 10.819 -1.302 1.00 0.00 N ATOM 905 CA GLU A 61 -23.520 11.316 -2.289 1.00 0.00 C ATOM 906 C GLU A 61 -24.706 10.363 -2.447 1.00 0.00 C ATOM 907 O GLU A 61 -25.360 10.331 -3.490 1.00 0.00 O ATOM 908 CB GLU A 61 -22.785 11.558 -3.606 1.00 0.00 C ATOM 909 CG GLU A 61 -22.167 10.292 -4.174 1.00 0.00 C ATOM 910 CD GLU A 61 -21.498 10.558 -5.522 1.00 0.00 C ATOM 911 OE1 GLU A 61 -20.328 10.999 -5.512 1.00 0.00 O ATOM 912 OE2 GLU A 61 -22.163 10.319 -6.556 1.00 0.00 O ATOM 0 H GLU A 61 -22.338 9.839 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 61 -23.935 12.266 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -23.480 11.976 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -22.003 12.301 -3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -21.432 9.897 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -22.937 9.530 -4.292 1.00 0.00 H new ATOM 919 N VAL A 62 -24.970 9.586 -1.393 1.00 0.00 N ATOM 920 CA VAL A 62 -26.016 8.571 -1.369 1.00 0.00 C ATOM 921 C VAL A 62 -26.921 8.780 -0.161 1.00 0.00 C ATOM 922 O VAL A 62 -28.136 8.986 -0.387 1.00 0.00 O ATOM 923 CB VAL A 62 -25.388 7.175 -1.361 1.00 0.00 C ATOM 924 CG1 VAL A 62 -26.485 6.110 -1.389 1.00 0.00 C ATOM 925 CG2 VAL A 62 -24.490 6.980 -2.581 1.00 0.00 C ATOM 0 H VAL A 62 -24.450 9.649 -0.518 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.629 8.661 -2.266 1.00 0.00 H new ATOM 0 HB VAL A 62 -24.792 7.078 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -26.031 5.119 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -27.123 6.222 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -27.085 6.229 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.054 5.981 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -25.081 7.095 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -23.694 7.724 -2.569 1.00 0.00 H new TER 935 VAL A 62