USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 424 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 13 GLN : amide:sc= 0.887 K(o=2.2,f=-8.9!) USER MOD Set 1.2: A 16 LYS NZ :NH3+ 165:sc= 1.29 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.0966 (180deg=-0.409) USER MOD Single : A 30 SER OG : rot -78:sc= 0.518 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.757 X(o=-0.76,f=-0.34) USER MOD Single : A 37 LYS NZ :NH3+ 137:sc= -0.158 (180deg=-0.639) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.01) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0456 (180deg=-0.276) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.440 -4.660 16.095 1.00 0.00 N ATOM 2 CA GLY A 1 -3.498 -4.729 14.960 1.00 0.00 C ATOM 3 C GLY A 1 -4.072 -5.501 13.797 1.00 0.00 C ATOM 4 O GLY A 1 -3.688 -6.651 13.553 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.008 -4.122 16.873 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.315 -4.187 15.791 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.661 -5.622 16.421 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.246 -3.719 14.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.571 -5.200 15.286 1.00 0.00 H new ATOM 10 N SER A 2 -4.985 -4.877 13.073 1.00 0.00 N ATOM 11 CA SER A 2 -5.639 -5.514 11.947 1.00 0.00 C ATOM 12 C SER A 2 -4.656 -5.737 10.799 1.00 0.00 C ATOM 13 O SER A 2 -4.550 -6.843 10.268 1.00 0.00 O ATOM 14 CB SER A 2 -6.813 -4.659 11.481 1.00 0.00 C ATOM 15 OG SER A 2 -7.638 -4.303 12.581 1.00 0.00 O ATOM 0 H SER A 2 -5.291 -3.920 13.249 1.00 0.00 H new ATOM 0 HA SER A 2 -6.010 -6.488 12.267 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.443 -3.759 10.991 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.398 -5.206 10.742 1.00 0.00 H new ATOM 0 HG SER A 2 -8.385 -3.753 12.265 1.00 0.00 H new ATOM 21 N VAL A 3 -3.910 -4.693 10.453 1.00 0.00 N ATOM 22 CA VAL A 3 -2.942 -4.764 9.360 1.00 0.00 C ATOM 23 C VAL A 3 -1.812 -5.717 9.728 1.00 0.00 C ATOM 24 O VAL A 3 -1.286 -6.431 8.882 1.00 0.00 O ATOM 25 CB VAL A 3 -2.353 -3.363 9.039 1.00 0.00 C ATOM 26 CG1 VAL A 3 -1.350 -3.438 7.893 1.00 0.00 C ATOM 27 CG2 VAL A 3 -3.466 -2.381 8.707 1.00 0.00 C ATOM 0 H VAL A 3 -3.956 -3.784 10.914 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.461 -5.132 8.475 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.827 -3.008 9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.954 -2.443 7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.533 -4.105 8.168 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.845 -3.820 7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.035 -1.405 8.485 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.020 -2.739 7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.141 -2.295 9.559 1.00 0.00 H new ATOM 37 N GLU A 4 -1.480 -5.732 11.007 1.00 0.00 N ATOM 38 CA GLU A 4 -0.424 -6.598 11.544 1.00 0.00 C ATOM 39 C GLU A 4 -0.752 -8.066 11.289 1.00 0.00 C ATOM 40 O GLU A 4 0.116 -8.859 10.926 1.00 0.00 O ATOM 41 CB GLU A 4 -0.258 -6.362 13.052 1.00 0.00 C ATOM 42 CG GLU A 4 0.786 -7.240 13.713 1.00 0.00 C ATOM 43 CD GLU A 4 0.776 -7.090 15.209 1.00 0.00 C ATOM 44 OE1 GLU A 4 1.458 -6.185 15.728 1.00 0.00 O ATOM 45 OE2 GLU A 4 0.060 -7.861 15.881 1.00 0.00 O ATOM 0 H GLU A 4 -1.931 -5.146 11.710 1.00 0.00 H new ATOM 0 HA GLU A 4 0.509 -6.352 11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.006 -5.317 13.217 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.218 -6.529 13.541 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.603 -8.282 13.451 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.773 -6.983 13.329 1.00 0.00 H new ATOM 52 N LYS A 5 -2.014 -8.415 11.473 1.00 0.00 N ATOM 53 CA LYS A 5 -2.455 -9.781 11.280 1.00 0.00 C ATOM 54 C LYS A 5 -2.638 -10.081 9.800 1.00 0.00 C ATOM 55 O LYS A 5 -2.149 -11.089 9.296 1.00 0.00 O ATOM 56 CB LYS A 5 -3.766 -10.026 12.027 1.00 0.00 C ATOM 57 CG LYS A 5 -4.227 -11.477 11.994 1.00 0.00 C ATOM 58 CD LYS A 5 -5.623 -11.633 12.574 1.00 0.00 C ATOM 59 CE LYS A 5 -6.670 -10.969 11.690 1.00 0.00 C ATOM 60 NZ LYS A 5 -8.036 -11.101 12.250 1.00 0.00 N ATOM 0 H LYS A 5 -2.750 -7.768 11.756 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.690 -10.447 11.679 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.646 -9.716 13.065 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.544 -9.397 11.594 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.217 -11.839 10.966 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.527 -12.095 12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.856 -12.692 12.684 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.655 -11.194 13.571 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.427 -9.913 11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.641 -11.416 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.717 -10.635 11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.279 -12.108 12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.072 -10.652 13.187 1.00 0.00 H new ATOM 74 N LEU A 6 -3.357 -9.198 9.112 1.00 0.00 N ATOM 75 CA LEU A 6 -3.635 -9.360 7.684 1.00 0.00 C ATOM 76 C LEU A 6 -2.361 -9.397 6.848 1.00 0.00 C ATOM 77 O LEU A 6 -2.313 -10.061 5.813 1.00 0.00 O ATOM 78 CB LEU A 6 -4.556 -8.241 7.187 1.00 0.00 C ATOM 79 CG LEU A 6 -5.929 -8.161 7.859 1.00 0.00 C ATOM 80 CD1 LEU A 6 -6.730 -6.995 7.307 1.00 0.00 C ATOM 81 CD2 LEU A 6 -6.691 -9.463 7.679 1.00 0.00 C ATOM 0 H LEU A 6 -3.761 -8.356 9.522 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.135 -10.321 7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.047 -7.288 7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.704 -8.367 6.115 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.776 -7.997 8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.702 -6.957 7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.193 -6.065 7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.871 -7.126 6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.664 -9.385 8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.830 -9.659 6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.126 -10.280 8.128 1.00 0.00 H new ATOM 93 N THR A 7 -1.329 -8.705 7.301 1.00 0.00 N ATOM 94 CA THR A 7 -0.103 -8.650 6.597 1.00 0.00 C ATOM 95 C THR A 7 1.045 -8.574 7.623 1.00 0.00 C ATOM 96 O THR A 7 1.334 -7.504 8.155 1.00 0.00 O ATOM 97 CB THR A 7 -0.051 -7.373 5.715 1.00 0.00 C ATOM 98 OG1 THR A 7 -1.278 -7.231 4.973 1.00 0.00 O ATOM 99 CG2 THR A 7 1.116 -7.442 4.738 1.00 0.00 C ATOM 0 H THR A 7 -1.339 -8.172 8.171 1.00 0.00 H new ATOM 0 HA THR A 7 -0.009 -9.534 5.966 1.00 0.00 H new ATOM 0 HB THR A 7 0.082 -6.514 6.372 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.235 -6.422 4.422 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.135 -6.538 4.129 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.051 -7.525 5.293 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.999 -8.312 4.092 1.00 0.00 H new ATOM 107 N ALA A 8 1.703 -9.696 7.886 1.00 0.00 N ATOM 108 CA ALA A 8 2.858 -9.709 8.785 1.00 0.00 C ATOM 109 C ALA A 8 4.082 -9.170 8.068 1.00 0.00 C ATOM 110 O ALA A 8 5.041 -8.727 8.691 1.00 0.00 O ATOM 111 CB ALA A 8 3.123 -11.113 9.325 1.00 0.00 C ATOM 0 H ALA A 8 1.461 -10.606 7.494 1.00 0.00 H new ATOM 0 HA ALA A 8 2.636 -9.065 9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.987 -11.090 9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.250 -11.461 9.877 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.322 -11.791 8.495 1.00 0.00 H new ATOM 117 N ASP A 9 4.014 -9.186 6.742 1.00 0.00 N ATOM 118 CA ASP A 9 5.095 -8.660 5.896 1.00 0.00 C ATOM 119 C ASP A 9 5.295 -7.188 6.204 1.00 0.00 C ATOM 120 O ASP A 9 6.414 -6.676 6.185 1.00 0.00 O ATOM 121 CB ASP A 9 4.775 -8.845 4.401 1.00 0.00 C ATOM 122 CG ASP A 9 5.815 -8.208 3.489 1.00 0.00 C ATOM 123 OD1 ASP A 9 6.853 -8.851 3.219 1.00 0.00 O ATOM 124 OD2 ASP A 9 5.585 -7.076 3.022 1.00 0.00 O ATOM 0 H ASP A 9 3.220 -9.558 6.221 1.00 0.00 H new ATOM 0 HA ASP A 9 6.008 -9.214 6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.707 -9.910 4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.798 -8.412 4.187 1.00 0.00 H new ATOM 129 N ALA A 10 4.191 -6.518 6.504 1.00 0.00 N ATOM 130 CA ALA A 10 4.212 -5.097 6.871 1.00 0.00 C ATOM 131 C ALA A 10 5.066 -4.857 8.118 1.00 0.00 C ATOM 132 O ALA A 10 5.744 -3.831 8.229 1.00 0.00 O ATOM 133 CB ALA A 10 2.797 -4.569 7.089 1.00 0.00 C ATOM 0 H ALA A 10 3.260 -6.934 6.502 1.00 0.00 H new ATOM 0 HA ALA A 10 4.662 -4.552 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.840 -3.514 7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.220 -4.685 6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.319 -5.130 7.892 1.00 0.00 H new ATOM 139 N GLU A 11 5.047 -5.812 9.044 1.00 0.00 N ATOM 140 CA GLU A 11 5.837 -5.702 10.268 1.00 0.00 C ATOM 141 C GLU A 11 7.309 -5.875 9.935 1.00 0.00 C ATOM 142 O GLU A 11 8.174 -5.196 10.496 1.00 0.00 O ATOM 143 CB GLU A 11 5.401 -6.746 11.307 1.00 0.00 C ATOM 144 CG GLU A 11 3.983 -6.554 11.828 1.00 0.00 C ATOM 145 CD GLU A 11 3.799 -5.229 12.536 1.00 0.00 C ATOM 146 OE1 GLU A 11 4.234 -5.110 13.702 1.00 0.00 O ATOM 147 OE2 GLU A 11 3.211 -4.305 11.939 1.00 0.00 O ATOM 0 H GLU A 11 4.496 -6.667 8.971 1.00 0.00 H new ATOM 0 HA GLU A 11 5.673 -4.715 10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.482 -7.739 10.864 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.093 -6.715 12.149 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.282 -6.618 10.996 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.738 -7.365 12.514 1.00 0.00 H new ATOM 154 N LEU A 12 7.578 -6.787 9.007 1.00 0.00 N ATOM 155 CA LEU A 12 8.937 -7.019 8.517 1.00 0.00 C ATOM 156 C LEU A 12 9.493 -5.734 7.931 1.00 0.00 C ATOM 157 O LEU A 12 10.627 -5.357 8.202 1.00 0.00 O ATOM 158 CB LEU A 12 8.966 -8.129 7.441 1.00 0.00 C ATOM 159 CG LEU A 12 8.927 -9.593 7.930 1.00 0.00 C ATOM 160 CD1 LEU A 12 7.853 -9.810 8.977 1.00 0.00 C ATOM 161 CD2 LEU A 12 8.690 -10.518 6.752 1.00 0.00 C ATOM 0 H LEU A 12 6.871 -7.382 8.576 1.00 0.00 H new ATOM 0 HA LEU A 12 9.550 -7.343 9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.118 -7.974 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.869 -7.997 6.845 1.00 0.00 H new ATOM 0 HG LEU A 12 9.889 -9.816 8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.859 -10.853 9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.048 -9.168 9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.878 -9.565 8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.663 -11.551 7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.740 -10.269 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.497 -10.400 6.029 1.00 0.00 H new ATOM 173 N GLN A 13 8.666 -5.055 7.135 1.00 0.00 N ATOM 174 CA GLN A 13 9.049 -3.788 6.516 1.00 0.00 C ATOM 175 C GLN A 13 9.448 -2.769 7.566 1.00 0.00 C ATOM 176 O GLN A 13 10.438 -2.061 7.404 1.00 0.00 O ATOM 177 CB GLN A 13 7.910 -3.236 5.658 1.00 0.00 C ATOM 178 CG GLN A 13 7.576 -4.099 4.457 1.00 0.00 C ATOM 179 CD GLN A 13 8.750 -4.245 3.509 1.00 0.00 C ATOM 180 OE1 GLN A 13 9.557 -5.168 3.634 1.00 0.00 O ATOM 181 NE2 GLN A 13 8.861 -3.333 2.568 1.00 0.00 N ATOM 0 H GLN A 13 7.722 -5.364 6.904 1.00 0.00 H new ATOM 0 HA GLN A 13 9.909 -3.980 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.019 -3.131 6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.178 -2.237 5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.262 -5.086 4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.732 -3.663 3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.171 -2.585 2.499 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.637 -3.374 1.907 1.00 0.00 H new ATOM 190 N ARG A 14 8.679 -2.708 8.650 1.00 0.00 N ATOM 191 CA ARG A 14 8.979 -1.791 9.744 1.00 0.00 C ATOM 192 C ARG A 14 10.356 -2.080 10.324 1.00 0.00 C ATOM 193 O ARG A 14 11.139 -1.169 10.578 1.00 0.00 O ATOM 194 CB ARG A 14 7.924 -1.886 10.850 1.00 0.00 C ATOM 195 CG ARG A 14 6.537 -1.437 10.435 1.00 0.00 C ATOM 196 CD ARG A 14 5.591 -1.430 11.622 1.00 0.00 C ATOM 197 NE ARG A 14 4.313 -0.808 11.294 1.00 0.00 N ATOM 198 CZ ARG A 14 3.842 0.301 11.872 1.00 0.00 C ATOM 199 NH1 ARG A 14 4.521 0.887 12.857 1.00 0.00 N ATOM 200 NH2 ARG A 14 2.685 0.818 11.477 1.00 0.00 N ATOM 0 H ARG A 14 7.847 -3.280 8.793 1.00 0.00 H new ATOM 0 HA ARG A 14 8.967 -0.779 9.338 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.870 -2.918 11.195 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.249 -1.283 11.698 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.589 -0.439 10.000 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.152 -2.102 9.662 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.422 -2.453 11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.053 -0.895 12.452 1.00 0.00 H new ATOM 0 HE ARG A 14 3.740 -1.249 10.575 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.405 0.489 13.174 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.157 1.733 13.294 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.154 0.369 10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.327 1.665 11.919 1.00 0.00 H new ATOM 214 N LEU A 15 10.642 -3.353 10.526 1.00 0.00 N ATOM 215 CA LEU A 15 11.927 -3.776 11.068 1.00 0.00 C ATOM 216 C LEU A 15 13.058 -3.485 10.080 1.00 0.00 C ATOM 217 O LEU A 15 14.067 -2.873 10.440 1.00 0.00 O ATOM 218 CB LEU A 15 11.898 -5.268 11.420 1.00 0.00 C ATOM 219 CG LEU A 15 13.206 -5.850 11.959 1.00 0.00 C ATOM 220 CD1 LEU A 15 13.571 -5.220 13.295 1.00 0.00 C ATOM 221 CD2 LEU A 15 13.100 -7.359 12.090 1.00 0.00 C ATOM 0 H LEU A 15 10.000 -4.119 10.322 1.00 0.00 H new ATOM 0 HA LEU A 15 12.113 -3.207 11.979 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.116 -5.432 12.162 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.614 -5.827 10.528 1.00 0.00 H new ATOM 0 HG LEU A 15 14.000 -5.619 11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.505 -5.650 13.657 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.692 -4.144 13.169 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.778 -5.413 14.017 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.039 -7.758 12.475 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.291 -7.609 12.777 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.894 -7.795 11.113 1.00 0.00 H new ATOM 233 N LYS A 16 12.871 -3.917 8.834 1.00 0.00 N ATOM 234 CA LYS A 16 13.865 -3.726 7.771 1.00 0.00 C ATOM 235 C LYS A 16 14.211 -2.252 7.585 1.00 0.00 C ATOM 236 O LYS A 16 15.381 -1.887 7.503 1.00 0.00 O ATOM 237 CB LYS A 16 13.338 -4.302 6.443 1.00 0.00 C ATOM 238 CG LYS A 16 13.146 -5.816 6.448 1.00 0.00 C ATOM 239 CD LYS A 16 12.268 -6.277 5.283 1.00 0.00 C ATOM 240 CE LYS A 16 12.848 -5.874 3.935 1.00 0.00 C ATOM 241 NZ LYS A 16 11.956 -6.253 2.805 1.00 0.00 N ATOM 0 H LYS A 16 12.030 -4.408 8.530 1.00 0.00 H new ATOM 0 HA LYS A 16 14.771 -4.254 8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.386 -3.827 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.032 -4.038 5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.118 -6.307 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.692 -6.122 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.157 -7.361 5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.271 -5.850 5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.014 -4.797 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.821 -6.348 3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.251 -5.748 1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.018 -7.278 2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.975 -5.998 3.037 1.00 0.00 H new ATOM 255 N ASN A 17 13.190 -1.412 7.543 1.00 0.00 N ATOM 256 CA ASN A 17 13.389 0.018 7.304 1.00 0.00 C ATOM 257 C ASN A 17 14.017 0.704 8.510 1.00 0.00 C ATOM 258 O ASN A 17 14.979 1.460 8.374 1.00 0.00 O ATOM 259 CB ASN A 17 12.067 0.711 6.937 1.00 0.00 C ATOM 260 CG ASN A 17 12.263 2.163 6.542 1.00 0.00 C ATOM 261 OD1 ASN A 17 12.238 3.061 7.383 1.00 0.00 O ATOM 262 ND2 ASN A 17 12.458 2.400 5.261 1.00 0.00 N ATOM 0 H ASN A 17 12.217 -1.689 7.670 1.00 0.00 H new ATOM 0 HA ASN A 17 14.075 0.107 6.462 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.595 0.174 6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.385 0.657 7.785 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.595 3.357 4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.472 1.627 4.596 1.00 0.00 H new ATOM 269 N GLU A 18 13.483 0.422 9.694 1.00 0.00 N ATOM 270 CA GLU A 18 13.962 1.052 10.916 1.00 0.00 C ATOM 271 C GLU A 18 15.424 0.716 11.194 1.00 0.00 C ATOM 272 O GLU A 18 16.231 1.614 11.435 1.00 0.00 O ATOM 273 CB GLU A 18 13.096 0.658 12.107 1.00 0.00 C ATOM 274 CG GLU A 18 13.486 1.346 13.403 1.00 0.00 C ATOM 275 CD GLU A 18 12.547 1.021 14.532 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.490 1.678 14.633 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.857 0.112 15.324 1.00 0.00 O ATOM 0 H GLU A 18 12.718 -0.239 9.832 1.00 0.00 H new ATOM 0 HA GLU A 18 13.890 2.130 10.769 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.056 0.892 11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.157 -0.421 12.247 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.498 1.048 13.679 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.503 2.425 13.247 1.00 0.00 H new ATOM 284 N ARG A 19 15.772 -0.569 11.141 1.00 0.00 N ATOM 285 CA ARG A 19 17.142 -0.975 11.427 1.00 0.00 C ATOM 286 C ARG A 19 18.101 -0.393 10.389 1.00 0.00 C ATOM 287 O ARG A 19 19.205 0.030 10.723 1.00 0.00 O ATOM 288 CB ARG A 19 17.280 -2.509 11.522 1.00 0.00 C ATOM 289 CG ARG A 19 17.177 -3.253 10.199 1.00 0.00 C ATOM 290 CD ARG A 19 17.278 -4.753 10.412 1.00 0.00 C ATOM 291 NE ARG A 19 17.485 -5.481 9.159 1.00 0.00 N ATOM 292 CZ ARG A 19 17.784 -6.783 9.094 1.00 0.00 C ATOM 293 NH1 ARG A 19 17.834 -7.514 10.205 1.00 0.00 N ATOM 294 NH2 ARG A 19 18.023 -7.357 7.920 1.00 0.00 N ATOM 0 H ARG A 19 15.136 -1.332 10.907 1.00 0.00 H new ATOM 0 HA ARG A 19 17.410 -0.573 12.404 1.00 0.00 H new ATOM 0 HB2 ARG A 19 18.242 -2.743 11.978 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.508 -2.886 12.193 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.230 -3.013 9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.970 -2.923 9.529 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.102 -4.966 11.093 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.367 -5.112 10.891 1.00 0.00 H new ATOM 0 HE ARG A 19 17.396 -4.965 8.284 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.644 -7.082 11.109 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.062 -8.507 10.152 1.00 0.00 H new ATOM 0 HH21 ARG A 19 17.979 -6.804 7.064 1.00 0.00 H new ATOM 0 HH22 ARG A 19 18.251 -8.350 7.875 1.00 0.00 H new ATOM 308 N HIS A 20 17.668 -0.374 9.128 1.00 0.00 N ATOM 309 CA HIS A 20 18.466 0.227 8.055 1.00 0.00 C ATOM 310 C HIS A 20 18.685 1.717 8.329 1.00 0.00 C ATOM 311 O HIS A 20 19.774 2.244 8.106 1.00 0.00 O ATOM 312 CB HIS A 20 17.799 0.031 6.679 1.00 0.00 C ATOM 313 CG HIS A 20 18.649 0.476 5.527 1.00 0.00 C ATOM 314 ND1 HIS A 20 18.475 1.681 4.881 1.00 0.00 N ATOM 315 CD2 HIS A 20 19.686 -0.132 4.904 1.00 0.00 C ATOM 316 CE1 HIS A 20 19.360 1.796 3.915 1.00 0.00 C ATOM 317 NE2 HIS A 20 20.110 0.708 3.906 1.00 0.00 N ATOM 0 H HIS A 20 16.776 -0.764 8.824 1.00 0.00 H new ATOM 0 HA HIS A 20 19.432 -0.278 8.034 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.553 -1.023 6.551 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.859 0.582 6.659 1.00 0.00 H new ATOM 0 HD2 HIS A 20 20.102 -1.098 5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 20 19.457 2.636 3.244 1.00 0.00 H new ATOM 0 HE2 HIS A 20 20.879 0.523 3.262 1.00 0.00 H new ATOM 325 N GLU A 21 17.642 2.382 8.822 1.00 0.00 N ATOM 326 CA GLU A 21 17.729 3.804 9.167 1.00 0.00 C ATOM 327 C GLU A 21 18.701 4.003 10.326 1.00 0.00 C ATOM 328 O GLU A 21 19.496 4.950 10.335 1.00 0.00 O ATOM 329 CB GLU A 21 16.345 4.377 9.534 1.00 0.00 C ATOM 330 CG GLU A 21 16.360 5.867 9.832 1.00 0.00 C ATOM 331 CD GLU A 21 15.007 6.392 10.246 1.00 0.00 C ATOM 332 OE1 GLU A 21 14.769 6.545 11.461 1.00 0.00 O ATOM 333 OE2 GLU A 21 14.171 6.660 9.361 1.00 0.00 O ATOM 0 H GLU A 21 16.728 1.962 8.992 1.00 0.00 H new ATOM 0 HA GLU A 21 18.096 4.341 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.654 4.187 8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.961 3.845 10.404 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.081 6.068 10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.700 6.407 8.948 1.00 0.00 H new ATOM 340 N GLU A 22 18.644 3.098 11.294 1.00 0.00 N ATOM 341 CA GLU A 22 19.548 3.153 12.432 1.00 0.00 C ATOM 342 C GLU A 22 20.983 2.954 11.961 1.00 0.00 C ATOM 343 O GLU A 22 21.870 3.726 12.321 1.00 0.00 O ATOM 344 CB GLU A 22 19.177 2.114 13.502 1.00 0.00 C ATOM 345 CG GLU A 22 17.849 2.381 14.198 1.00 0.00 C ATOM 346 CD GLU A 22 17.521 1.325 15.224 1.00 0.00 C ATOM 347 OE1 GLU A 22 17.099 0.223 14.832 1.00 0.00 O ATOM 348 OE2 GLU A 22 17.691 1.588 16.431 1.00 0.00 O ATOM 0 H GLU A 22 17.984 2.321 11.313 1.00 0.00 H new ATOM 0 HA GLU A 22 19.456 4.137 12.893 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.139 1.129 13.038 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.968 2.083 14.252 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.884 3.357 14.682 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.053 2.423 13.455 1.00 0.00 H new ATOM 355 N ALA A 23 21.205 1.908 11.153 1.00 0.00 N ATOM 356 CA ALA A 23 22.524 1.646 10.547 1.00 0.00 C ATOM 357 C ALA A 23 23.026 2.844 9.729 1.00 0.00 C ATOM 358 O ALA A 23 24.222 2.957 9.445 1.00 0.00 O ATOM 359 CB ALA A 23 22.488 0.390 9.671 1.00 0.00 C ATOM 0 H ALA A 23 20.489 1.227 10.902 1.00 0.00 H new ATOM 0 HA ALA A 23 23.223 1.483 11.368 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.473 0.221 9.237 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.207 -0.470 10.279 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.758 0.524 8.873 1.00 0.00 H new ATOM 365 N GLU A 24 22.115 3.729 9.352 1.00 0.00 N ATOM 366 CA GLU A 24 22.494 4.933 8.629 1.00 0.00 C ATOM 367 C GLU A 24 23.025 5.965 9.612 1.00 0.00 C ATOM 368 O GLU A 24 24.073 6.560 9.387 1.00 0.00 O ATOM 369 CB GLU A 24 21.325 5.509 7.820 1.00 0.00 C ATOM 370 CG GLU A 24 21.677 6.792 7.094 1.00 0.00 C ATOM 371 CD GLU A 24 20.559 7.295 6.223 1.00 0.00 C ATOM 372 OE1 GLU A 24 20.597 7.041 4.999 1.00 0.00 O ATOM 373 OE2 GLU A 24 19.632 7.948 6.751 1.00 0.00 O ATOM 0 H GLU A 24 21.115 3.637 9.533 1.00 0.00 H new ATOM 0 HA GLU A 24 23.275 4.671 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.994 4.767 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.486 5.696 8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 24 21.935 7.558 7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.563 6.626 6.481 1.00 0.00 H new ATOM 380 N LEU A 25 22.296 6.160 10.710 1.00 0.00 N ATOM 381 CA LEU A 25 22.730 7.066 11.776 1.00 0.00 C ATOM 382 C LEU A 25 24.072 6.594 12.337 1.00 0.00 C ATOM 383 O LEU A 25 24.945 7.398 12.664 1.00 0.00 O ATOM 384 CB LEU A 25 21.675 7.115 12.889 1.00 0.00 C ATOM 385 CG LEU A 25 21.992 8.035 14.073 1.00 0.00 C ATOM 386 CD1 LEU A 25 22.089 9.483 13.620 1.00 0.00 C ATOM 387 CD2 LEU A 25 20.938 7.886 15.161 1.00 0.00 C ATOM 0 H LEU A 25 21.401 5.703 10.886 1.00 0.00 H new ATOM 0 HA LEU A 25 22.849 8.069 11.367 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.728 7.431 12.452 1.00 0.00 H new ATOM 0 HB3 LEU A 25 21.529 6.104 13.269 1.00 0.00 H new ATOM 0 HG LEU A 25 22.958 7.741 14.484 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.315 10.118 14.477 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.881 9.580 12.878 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.140 9.791 13.180 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.179 8.546 15.994 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.960 8.151 14.759 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.919 6.854 15.510 1.00 0.00 H new ATOM 399 N GLU A 26 24.212 5.277 12.430 1.00 0.00 N ATOM 400 CA GLU A 26 25.457 4.651 12.877 1.00 0.00 C ATOM 401 C GLU A 26 26.613 5.080 11.972 1.00 0.00 C ATOM 402 O GLU A 26 27.727 5.331 12.435 1.00 0.00 O ATOM 403 CB GLU A 26 25.321 3.123 12.865 1.00 0.00 C ATOM 404 CG GLU A 26 24.415 2.564 13.958 1.00 0.00 C ATOM 405 CD GLU A 26 25.085 2.527 15.315 1.00 0.00 C ATOM 406 OE1 GLU A 26 25.318 1.413 15.833 1.00 0.00 O ATOM 407 OE2 GLU A 26 25.388 3.599 15.872 1.00 0.00 O ATOM 0 H GLU A 26 23.472 4.614 12.200 1.00 0.00 H new ATOM 0 HA GLU A 26 25.664 4.975 13.897 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.934 2.812 11.895 1.00 0.00 H new ATOM 0 HB3 GLU A 26 26.312 2.681 12.970 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.512 3.171 14.020 1.00 0.00 H new ATOM 0 HG3 GLU A 26 24.103 1.556 13.684 1.00 0.00 H new ATOM 414 N ARG A 27 26.326 5.177 10.680 1.00 0.00 N ATOM 415 CA ARG A 27 27.316 5.604 9.693 1.00 0.00 C ATOM 416 C ARG A 27 27.501 7.109 9.717 1.00 0.00 C ATOM 417 O ARG A 27 28.597 7.602 9.511 1.00 0.00 O ATOM 418 CB ARG A 27 26.919 5.162 8.286 1.00 0.00 C ATOM 419 CG ARG A 27 27.055 3.679 8.053 1.00 0.00 C ATOM 420 CD ARG A 27 26.534 3.291 6.685 1.00 0.00 C ATOM 421 NE ARG A 27 27.072 2.007 6.238 1.00 0.00 N ATOM 422 CZ ARG A 27 26.643 0.814 6.656 1.00 0.00 C ATOM 423 NH1 ARG A 27 25.683 0.726 7.578 1.00 0.00 N ATOM 424 NH2 ARG A 27 27.183 -0.292 6.157 1.00 0.00 N ATOM 0 H ARG A 27 25.409 4.964 10.287 1.00 0.00 H new ATOM 0 HA ARG A 27 28.260 5.128 9.959 1.00 0.00 H new ATOM 0 HB2 ARG A 27 25.886 5.456 8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 27 27.536 5.692 7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 27 28.102 3.388 8.143 1.00 0.00 H new ATOM 0 HG3 ARG A 27 26.506 3.135 8.822 1.00 0.00 H new ATOM 0 HD2 ARG A 27 25.446 3.238 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 27 26.797 4.065 5.964 1.00 0.00 H new ATOM 0 HE ARG A 27 27.831 2.024 5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 27 25.272 1.574 7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 27 25.360 -0.189 7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 27 27.922 -0.228 5.457 1.00 0.00 H new ATOM 0 HH22 ARG A 27 26.858 -1.206 6.473 1.00 0.00 H new ATOM 438 N LEU A 28 26.423 7.827 9.968 1.00 0.00 N ATOM 439 CA LEU A 28 26.469 9.287 10.010 1.00 0.00 C ATOM 440 C LEU A 28 27.404 9.754 11.120 1.00 0.00 C ATOM 441 O LEU A 28 28.257 10.621 10.903 1.00 0.00 O ATOM 442 CB LEU A 28 25.060 9.882 10.208 1.00 0.00 C ATOM 443 CG LEU A 28 24.981 11.408 10.245 1.00 0.00 C ATOM 444 CD1 LEU A 28 25.426 12.001 8.921 1.00 0.00 C ATOM 445 CD2 LEU A 28 23.571 11.855 10.584 1.00 0.00 C ATOM 0 H LEU A 28 25.501 7.428 10.147 1.00 0.00 H new ATOM 0 HA LEU A 28 26.852 9.642 9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.418 9.523 9.403 1.00 0.00 H new ATOM 0 HB3 LEU A 28 24.650 9.493 11.140 1.00 0.00 H new ATOM 0 HG LEU A 28 25.655 11.769 11.022 1.00 0.00 H new ATOM 0 HD11 LEU A 28 25.362 13.088 8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 28 26.456 11.707 8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 28 24.780 11.635 8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 28 23.530 12.944 10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 28 22.879 11.482 9.829 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.289 11.461 11.560 1.00 0.00 H new ATOM 457 N LYS A 29 27.239 9.165 12.300 1.00 0.00 N ATOM 458 CA LYS A 29 28.079 9.484 13.448 1.00 0.00 C ATOM 459 C LYS A 29 29.536 9.134 13.176 1.00 0.00 C ATOM 460 O LYS A 29 30.417 9.994 13.270 1.00 0.00 O ATOM 461 CB LYS A 29 27.593 8.750 14.699 1.00 0.00 C ATOM 462 CG LYS A 29 26.239 9.211 15.204 1.00 0.00 C ATOM 463 CD LYS A 29 25.784 8.379 16.390 1.00 0.00 C ATOM 464 CE LYS A 29 24.540 8.962 17.037 1.00 0.00 C ATOM 465 NZ LYS A 29 24.793 10.312 17.599 1.00 0.00 N ATOM 0 H LYS A 29 26.526 8.460 12.486 1.00 0.00 H new ATOM 0 HA LYS A 29 28.006 10.558 13.619 1.00 0.00 H new ATOM 0 HB2 LYS A 29 27.544 7.683 14.484 1.00 0.00 H new ATOM 0 HB3 LYS A 29 28.328 8.882 15.493 1.00 0.00 H new ATOM 0 HG2 LYS A 29 26.293 10.261 15.492 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.505 9.138 14.402 1.00 0.00 H new ATOM 0 HD2 LYS A 29 25.581 7.359 16.063 1.00 0.00 H new ATOM 0 HD3 LYS A 29 26.586 8.324 17.126 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.739 9.019 16.299 1.00 0.00 H new ATOM 0 HE3 LYS A 29 24.196 8.297 17.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 24.055 10.543 18.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 25.723 10.326 18.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.779 11.015 16.833 1.00 0.00 H new ATOM 479 N SER A 30 29.788 7.870 12.836 1.00 0.00 N ATOM 480 CA SER A 30 31.137 7.404 12.549 1.00 0.00 C ATOM 481 C SER A 30 31.802 8.237 11.454 1.00 0.00 C ATOM 482 O SER A 30 32.939 8.666 11.607 1.00 0.00 O ATOM 483 CB SER A 30 31.121 5.920 12.175 1.00 0.00 C ATOM 484 OG SER A 30 30.117 5.647 11.215 1.00 0.00 O ATOM 0 H SER A 30 29.070 7.151 12.753 1.00 0.00 H new ATOM 0 HA SER A 30 31.732 7.528 13.454 1.00 0.00 H new ATOM 0 HB2 SER A 30 32.095 5.631 11.780 1.00 0.00 H new ATOM 0 HB3 SER A 30 30.948 5.319 13.068 1.00 0.00 H new ATOM 0 HG SER A 30 29.243 5.612 11.657 1.00 0.00 H new ATOM 490 N GLU A 31 31.079 8.480 10.362 1.00 0.00 N ATOM 491 CA GLU A 31 31.602 9.277 9.261 1.00 0.00 C ATOM 492 C GLU A 31 31.966 10.678 9.726 1.00 0.00 C ATOM 493 O GLU A 31 33.063 11.149 9.471 1.00 0.00 O ATOM 494 CB GLU A 31 30.592 9.357 8.117 1.00 0.00 C ATOM 495 CG GLU A 31 31.023 10.269 6.981 1.00 0.00 C ATOM 496 CD GLU A 31 30.006 10.339 5.873 1.00 0.00 C ATOM 497 OE1 GLU A 31 28.966 11.011 6.055 1.00 0.00 O ATOM 498 OE2 GLU A 31 30.241 9.743 4.808 1.00 0.00 O ATOM 0 H GLU A 31 30.130 8.135 10.219 1.00 0.00 H new ATOM 0 HA GLU A 31 32.504 8.784 8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 31 30.424 8.355 7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 31 29.638 9.708 8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 31 31.198 11.271 7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 31 31.971 9.915 6.576 1.00 0.00 H new ATOM 505 N ARG A 32 31.036 11.336 10.411 1.00 0.00 N ATOM 506 CA ARG A 32 31.261 12.697 10.896 1.00 0.00 C ATOM 507 C ARG A 32 32.478 12.771 11.820 1.00 0.00 C ATOM 508 O ARG A 32 33.295 13.685 11.711 1.00 0.00 O ATOM 509 CB ARG A 32 30.026 13.222 11.626 1.00 0.00 C ATOM 510 CG ARG A 32 30.008 14.736 11.780 1.00 0.00 C ATOM 511 CD ARG A 32 28.871 15.199 12.676 1.00 0.00 C ATOM 512 NE ARG A 32 27.584 14.603 12.305 1.00 0.00 N ATOM 513 CZ ARG A 32 26.539 15.283 11.820 1.00 0.00 C ATOM 514 NH1 ARG A 32 26.646 16.576 11.543 1.00 0.00 N ATOM 515 NH2 ARG A 32 25.390 14.657 11.607 1.00 0.00 N ATOM 0 H ARG A 32 30.120 10.951 10.643 1.00 0.00 H new ATOM 0 HA ARG A 32 31.455 13.323 10.025 1.00 0.00 H new ATOM 0 HB2 ARG A 32 29.133 12.910 11.084 1.00 0.00 H new ATOM 0 HB3 ARG A 32 29.976 12.764 12.614 1.00 0.00 H new ATOM 0 HG2 ARG A 32 30.958 15.070 12.197 1.00 0.00 H new ATOM 0 HG3 ARG A 32 29.909 15.200 10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 32 29.101 14.944 13.710 1.00 0.00 H new ATOM 0 HD3 ARG A 32 28.793 16.285 12.626 1.00 0.00 H new ATOM 0 HE ARG A 32 27.477 13.596 12.426 1.00 0.00 H new ATOM 0 HH11 ARG A 32 27.530 17.060 11.700 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.844 17.086 11.173 1.00 0.00 H new ATOM 0 HH21 ARG A 32 25.306 13.662 11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.590 15.171 11.237 1.00 0.00 H new ATOM 529 N HIS A 33 32.605 11.804 12.715 1.00 0.00 N ATOM 530 CA HIS A 33 33.715 11.792 13.659 1.00 0.00 C ATOM 531 C HIS A 33 35.015 11.391 12.960 1.00 0.00 C ATOM 532 O HIS A 33 36.097 11.802 13.357 1.00 0.00 O ATOM 533 CB HIS A 33 33.421 10.847 14.831 1.00 0.00 C ATOM 534 CG HIS A 33 34.388 10.979 15.973 1.00 0.00 C ATOM 535 ND1 HIS A 33 35.337 10.028 16.275 1.00 0.00 N ATOM 536 CD2 HIS A 33 34.541 11.962 16.892 1.00 0.00 C ATOM 537 CE1 HIS A 33 36.033 10.412 17.324 1.00 0.00 C ATOM 538 NE2 HIS A 33 35.570 11.585 17.722 1.00 0.00 N ATOM 0 H HIS A 33 31.958 11.021 12.809 1.00 0.00 H new ATOM 0 HA HIS A 33 33.835 12.801 14.054 1.00 0.00 H new ATOM 0 HB2 HIS A 33 32.412 11.040 15.197 1.00 0.00 H new ATOM 0 HB3 HIS A 33 33.438 9.819 14.470 1.00 0.00 H new ATOM 0 HD2 HIS A 33 33.963 12.872 16.960 1.00 0.00 H new ATOM 0 HE1 HIS A 33 36.843 9.863 17.781 1.00 0.00 H new ATOM 0 HE2 HIS A 33 35.919 12.122 18.515 1.00 0.00 H new ATOM 546 N ASP A 34 34.894 10.601 11.915 1.00 0.00 N ATOM 547 CA ASP A 34 36.062 10.151 11.147 1.00 0.00 C ATOM 548 C ASP A 34 36.430 11.193 10.095 1.00 0.00 C ATOM 549 O ASP A 34 37.512 11.159 9.515 1.00 0.00 O ATOM 550 CB ASP A 34 35.785 8.789 10.488 1.00 0.00 C ATOM 551 CG ASP A 34 37.010 8.185 9.838 1.00 0.00 C ATOM 552 OD1 ASP A 34 38.092 8.198 10.471 1.00 0.00 O ATOM 553 OD2 ASP A 34 36.888 7.658 8.710 1.00 0.00 O ATOM 0 H ASP A 34 34.002 10.250 11.568 1.00 0.00 H new ATOM 0 HA ASP A 34 36.904 10.032 11.829 1.00 0.00 H new ATOM 0 HB2 ASP A 34 35.403 8.099 11.240 1.00 0.00 H new ATOM 0 HB3 ASP A 34 35.004 8.907 9.737 1.00 0.00 H new ATOM 558 N HIS A 35 35.533 12.155 9.909 1.00 0.00 N ATOM 559 CA HIS A 35 35.697 13.227 8.909 1.00 0.00 C ATOM 560 C HIS A 35 36.882 14.127 9.277 1.00 0.00 C ATOM 561 O HIS A 35 37.290 14.993 8.505 1.00 0.00 O ATOM 562 CB HIS A 35 34.397 14.064 8.789 1.00 0.00 C ATOM 563 CG HIS A 35 34.302 14.910 7.549 1.00 0.00 C ATOM 564 ND1 HIS A 35 33.601 14.518 6.428 1.00 0.00 N ATOM 565 CD2 HIS A 35 34.793 16.140 7.266 1.00 0.00 C ATOM 566 CE1 HIS A 35 33.664 15.467 5.514 1.00 0.00 C ATOM 567 NE2 HIS A 35 34.379 16.460 5.997 1.00 0.00 N ATOM 0 H HIS A 35 34.667 12.222 10.444 1.00 0.00 H new ATOM 0 HA HIS A 35 35.900 12.767 7.942 1.00 0.00 H new ATOM 0 HB2 HIS A 35 33.543 13.388 8.816 1.00 0.00 H new ATOM 0 HB3 HIS A 35 34.318 14.713 9.661 1.00 0.00 H new ATOM 0 HD2 HIS A 35 35.397 16.754 7.917 1.00 0.00 H new ATOM 0 HE1 HIS A 35 33.207 15.434 4.536 1.00 0.00 H new ATOM 0 HE2 HIS A 35 34.592 17.329 5.507 1.00 0.00 H new ATOM 575 N ASP A 36 37.427 13.913 10.467 1.00 0.00 N ATOM 576 CA ASP A 36 38.596 14.655 10.923 1.00 0.00 C ATOM 577 C ASP A 36 39.862 14.123 10.265 1.00 0.00 C ATOM 578 O ASP A 36 40.927 14.731 10.363 1.00 0.00 O ATOM 579 CB ASP A 36 38.738 14.599 12.453 1.00 0.00 C ATOM 580 CG ASP A 36 37.647 15.359 13.176 1.00 0.00 C ATOM 581 OD1 ASP A 36 37.695 16.607 13.186 1.00 0.00 O ATOM 582 OD2 ASP A 36 36.748 14.720 13.752 1.00 0.00 O ATOM 0 H ASP A 36 37.077 13.228 11.137 1.00 0.00 H new ATOM 0 HA ASP A 36 38.454 15.696 10.632 1.00 0.00 H new ATOM 0 HB2 ASP A 36 38.723 13.558 12.776 1.00 0.00 H new ATOM 0 HB3 ASP A 36 39.708 15.007 12.738 1.00 0.00 H new ATOM 587 N LYS A 37 39.747 12.983 9.597 1.00 0.00 N ATOM 588 CA LYS A 37 40.880 12.397 8.906 1.00 0.00 C ATOM 589 C LYS A 37 40.454 11.776 7.575 1.00 0.00 C ATOM 590 O LYS A 37 41.033 12.068 6.535 1.00 0.00 O ATOM 591 CB LYS A 37 41.578 11.354 9.785 1.00 0.00 C ATOM 592 CG LYS A 37 42.851 10.802 9.170 1.00 0.00 C ATOM 593 CD LYS A 37 43.517 9.788 10.080 1.00 0.00 C ATOM 594 CE LYS A 37 44.869 9.365 9.531 1.00 0.00 C ATOM 595 NZ LYS A 37 45.780 10.526 9.347 1.00 0.00 N ATOM 0 H LYS A 37 38.881 12.449 9.521 1.00 0.00 H new ATOM 0 HA LYS A 37 41.589 13.198 8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 37 41.814 11.803 10.750 1.00 0.00 H new ATOM 0 HB3 LYS A 37 40.889 10.531 9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 37 42.620 10.336 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 37 43.543 11.620 8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 37 43.643 10.215 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 37 42.875 8.914 10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 37 45.328 8.647 10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 37 44.731 8.857 8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 46.732 10.277 9.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 45.824 10.776 8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 45.422 11.338 9.890 1.00 0.00 H new ATOM 609 N LYS A 38 39.437 10.933 7.609 1.00 0.00 N ATOM 610 CA LYS A 38 38.951 10.274 6.409 1.00 0.00 C ATOM 611 C LYS A 38 37.476 10.578 6.208 1.00 0.00 C ATOM 612 O LYS A 38 36.619 10.058 6.909 1.00 0.00 O ATOM 613 CB LYS A 38 39.182 8.760 6.492 1.00 0.00 C ATOM 614 CG LYS A 38 40.651 8.363 6.583 1.00 0.00 C ATOM 615 CD LYS A 38 40.809 6.859 6.719 1.00 0.00 C ATOM 616 CE LYS A 38 42.269 6.448 6.819 1.00 0.00 C ATOM 617 NZ LYS A 38 43.032 6.785 5.594 1.00 0.00 N ATOM 0 H LYS A 38 38.929 10.688 8.459 1.00 0.00 H new ATOM 0 HA LYS A 38 39.507 10.656 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 38 38.656 8.369 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 38 38.742 8.287 5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 38 41.179 8.707 5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 38 41.111 8.858 7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 38 40.274 6.517 7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 38 40.352 6.367 5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 38 42.726 6.942 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 38 42.331 5.375 6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 43.862 6.162 5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 42.425 6.654 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 43.346 7.775 5.642 1.00 0.00 H new ATOM 631 N GLU A 39 37.184 11.434 5.256 1.00 0.00 N ATOM 632 CA GLU A 39 35.807 11.843 4.998 1.00 0.00 C ATOM 633 C GLU A 39 35.003 10.744 4.298 1.00 0.00 C ATOM 634 O GLU A 39 33.813 10.565 4.571 1.00 0.00 O ATOM 635 CB GLU A 39 35.756 13.144 4.183 1.00 0.00 C ATOM 636 CG GLU A 39 36.251 13.031 2.746 1.00 0.00 C ATOM 637 CD GLU A 39 36.060 14.309 1.980 1.00 0.00 C ATOM 638 OE1 GLU A 39 36.854 15.247 2.179 1.00 0.00 O ATOM 639 OE2 GLU A 39 35.113 14.389 1.175 1.00 0.00 O ATOM 0 H GLU A 39 37.876 11.865 4.643 1.00 0.00 H new ATOM 0 HA GLU A 39 35.346 12.024 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 39 34.727 13.504 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 39 36.351 13.899 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 39 37.308 12.764 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.719 12.224 2.242 1.00 0.00 H new ATOM 646 N ALA A 40 35.651 10.004 3.416 1.00 0.00 N ATOM 647 CA ALA A 40 34.983 8.968 2.652 1.00 0.00 C ATOM 648 C ALA A 40 35.926 7.785 2.390 1.00 0.00 C ATOM 649 O ALA A 40 36.219 7.465 1.235 1.00 0.00 O ATOM 650 CB ALA A 40 34.494 9.544 1.330 1.00 0.00 C ATOM 0 H ALA A 40 36.645 10.103 3.211 1.00 0.00 H new ATOM 0 HA ALA A 40 34.133 8.605 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.992 8.764 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 40 33.796 10.358 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 40 35.344 9.922 0.762 1.00 0.00 H new ATOM 656 N GLU A 41 36.408 7.139 3.458 1.00 0.00 N ATOM 657 CA GLU A 41 37.312 6.033 3.321 1.00 0.00 C ATOM 658 C GLU A 41 37.257 5.178 4.572 1.00 0.00 C ATOM 659 O GLU A 41 37.964 5.428 5.545 1.00 0.00 O ATOM 660 CB GLU A 41 38.745 6.518 3.065 1.00 0.00 C ATOM 661 CG GLU A 41 39.711 5.405 2.698 1.00 0.00 C ATOM 662 CD GLU A 41 41.122 5.900 2.483 1.00 0.00 C ATOM 663 OE1 GLU A 41 41.417 6.411 1.389 1.00 0.00 O ATOM 664 OE2 GLU A 41 41.952 5.760 3.402 1.00 0.00 O ATOM 0 H GLU A 41 36.175 7.378 4.422 1.00 0.00 H new ATOM 0 HA GLU A 41 37.007 5.437 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 41 38.732 7.255 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 41 39.112 7.026 3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 41 39.711 4.655 3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 41 39.362 4.912 1.791 1.00 0.00 H new ATOM 671 N ARG A 42 36.383 4.210 4.549 1.00 0.00 N ATOM 672 CA ARG A 42 36.205 3.303 5.617 1.00 0.00 C ATOM 673 C ARG A 42 35.933 1.944 5.046 1.00 0.00 C ATOM 674 O ARG A 42 35.003 1.743 4.266 1.00 0.00 O ATOM 675 CB ARG A 42 35.042 3.738 6.511 1.00 0.00 C ATOM 676 CG ARG A 42 35.372 4.896 7.427 1.00 0.00 C ATOM 677 CD ARG A 42 34.122 5.590 7.924 1.00 0.00 C ATOM 678 NE ARG A 42 33.414 6.266 6.835 1.00 0.00 N ATOM 679 CZ ARG A 42 33.641 7.531 6.473 1.00 0.00 C ATOM 680 NH1 ARG A 42 34.602 8.234 7.069 1.00 0.00 N ATOM 681 NH2 ARG A 42 32.925 8.082 5.497 1.00 0.00 N ATOM 0 H ARG A 42 35.763 4.037 3.757 1.00 0.00 H new ATOM 0 HA ARG A 42 37.107 3.281 6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.197 4.015 5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 42 34.724 2.889 7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.950 4.534 8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 42 36.000 5.612 6.897 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.461 4.860 8.391 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.389 6.316 8.692 1.00 0.00 H new ATOM 0 HE ARG A 42 32.706 5.740 6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.166 7.806 7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 42 34.774 9.200 6.791 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.203 7.538 5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.098 9.048 5.220 1.00 0.00 H new ATOM 695 N LYS A 43 36.725 1.045 5.456 1.00 0.00 N ATOM 696 CA LYS A 43 36.639 -0.347 5.048 1.00 0.00 C ATOM 697 C LYS A 43 35.571 -1.082 5.848 1.00 0.00 C ATOM 698 O LYS A 43 35.059 -2.113 5.422 1.00 0.00 O ATOM 699 CB LYS A 43 37.995 -1.032 5.248 1.00 0.00 C ATOM 700 CG LYS A 43 39.143 -0.372 4.495 1.00 0.00 C ATOM 701 CD LYS A 43 40.457 -1.089 4.746 1.00 0.00 C ATOM 702 CE LYS A 43 41.587 -0.479 3.937 1.00 0.00 C ATOM 703 NZ LYS A 43 42.873 -1.179 4.171 1.00 0.00 N ATOM 0 H LYS A 43 37.487 1.232 6.107 1.00 0.00 H new ATOM 0 HA LYS A 43 36.365 -0.379 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 43 38.231 -1.042 6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.915 -2.071 4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 43 38.926 -0.371 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 43 39.231 0.670 4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 43 40.701 -1.042 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 43 40.352 -2.143 4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 43 41.338 -0.521 2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 43 41.694 0.574 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 43.620 -0.733 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 43.123 -1.118 5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 42.779 -2.178 3.898 1.00 0.00 H new ATOM 717 N ALA A 44 35.216 -0.522 6.993 1.00 0.00 N ATOM 718 CA ALA A 44 34.245 -1.155 7.884 1.00 0.00 C ATOM 719 C ALA A 44 32.830 -1.039 7.334 1.00 0.00 C ATOM 720 O ALA A 44 32.031 -1.963 7.454 1.00 0.00 O ATOM 721 CB ALA A 44 34.320 -0.562 9.290 1.00 0.00 C ATOM 0 H ALA A 44 35.582 0.368 7.331 1.00 0.00 H new ATOM 0 HA ALA A 44 34.500 -2.213 7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 44 33.587 -1.052 9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 44 35.319 -0.717 9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 44 34.108 0.506 9.246 1.00 0.00 H new ATOM 727 N LEU A 45 32.533 0.082 6.703 1.00 0.00 N ATOM 728 CA LEU A 45 31.199 0.331 6.172 1.00 0.00 C ATOM 729 C LEU A 45 31.065 -0.225 4.761 1.00 0.00 C ATOM 730 O LEU A 45 29.956 -0.389 4.245 1.00 0.00 O ATOM 731 CB LEU A 45 30.894 1.828 6.191 1.00 0.00 C ATOM 732 CG LEU A 45 31.030 2.513 7.557 1.00 0.00 C ATOM 733 CD1 LEU A 45 30.663 3.985 7.462 1.00 0.00 C ATOM 734 CD2 LEU A 45 30.173 1.809 8.603 1.00 0.00 C ATOM 0 H LEU A 45 33.198 0.839 6.544 1.00 0.00 H new ATOM 0 HA LEU A 45 30.475 -0.181 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 45 31.561 2.326 5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 45 29.877 1.978 5.828 1.00 0.00 H new ATOM 0 HG LEU A 45 32.072 2.443 7.869 1.00 0.00 H new ATOM 0 HD11 LEU A 45 30.767 4.450 8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 45 31.327 4.480 6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 45 29.632 4.082 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 45 30.285 2.312 9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 45 29.127 1.840 8.297 1.00 0.00 H new ATOM 0 HD23 LEU A 45 30.493 0.771 8.697 1.00 0.00 H new ATOM 746 N GLU A 46 32.202 -0.521 4.155 1.00 0.00 N ATOM 747 CA GLU A 46 32.227 -1.040 2.794 1.00 0.00 C ATOM 748 C GLU A 46 32.101 -2.561 2.821 1.00 0.00 C ATOM 749 O GLU A 46 31.662 -3.182 1.849 1.00 0.00 O ATOM 750 CB GLU A 46 33.507 -0.629 2.060 1.00 0.00 C ATOM 751 CG GLU A 46 33.455 -0.902 0.563 1.00 0.00 C ATOM 752 CD GLU A 46 34.759 -0.608 -0.132 1.00 0.00 C ATOM 753 OE1 GLU A 46 35.317 0.483 0.078 1.00 0.00 O ATOM 754 OE2 GLU A 46 35.232 -1.470 -0.905 1.00 0.00 O ATOM 0 H GLU A 46 33.122 -0.412 4.582 1.00 0.00 H new ATOM 0 HA GLU A 46 31.383 -0.614 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 46 33.686 0.434 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 46 34.353 -1.164 2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 46 33.189 -1.946 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 46 32.666 -0.297 0.116 1.00 0.00 H new ATOM 761 N ASP A 47 32.480 -3.144 3.955 1.00 0.00 N ATOM 762 CA ASP A 47 32.479 -4.605 4.140 1.00 0.00 C ATOM 763 C ASP A 47 31.099 -5.218 3.931 1.00 0.00 C ATOM 764 O ASP A 47 30.969 -6.282 3.318 1.00 0.00 O ATOM 765 CB ASP A 47 33.007 -4.986 5.534 1.00 0.00 C ATOM 766 CG ASP A 47 32.859 -6.466 5.827 1.00 0.00 C ATOM 767 OD1 ASP A 47 33.585 -7.273 5.215 1.00 0.00 O ATOM 768 OD2 ASP A 47 32.018 -6.827 6.682 1.00 0.00 O ATOM 0 H ASP A 47 32.797 -2.625 4.774 1.00 0.00 H new ATOM 0 HA ASP A 47 33.144 -5.011 3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 47 34.058 -4.707 5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 47 32.471 -4.414 6.291 1.00 0.00 H new ATOM 773 N LYS A 48 30.070 -4.543 4.403 1.00 0.00 N ATOM 774 CA LYS A 48 28.727 -5.072 4.305 1.00 0.00 C ATOM 775 C LYS A 48 27.746 -3.924 3.956 1.00 0.00 C ATOM 776 O LYS A 48 28.038 -2.767 4.262 1.00 0.00 O ATOM 777 CB LYS A 48 28.343 -5.751 5.631 1.00 0.00 C ATOM 778 CG LYS A 48 27.012 -6.487 5.604 1.00 0.00 C ATOM 779 CD LYS A 48 26.761 -7.254 6.900 1.00 0.00 C ATOM 780 CE LYS A 48 27.725 -8.421 7.064 1.00 0.00 C ATOM 781 NZ LYS A 48 27.561 -9.436 5.995 1.00 0.00 N ATOM 0 H LYS A 48 30.138 -3.632 4.856 1.00 0.00 H new ATOM 0 HA LYS A 48 28.676 -5.819 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.128 -6.457 5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.309 -4.994 6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.205 -5.772 5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 48 26.997 -7.180 4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 48 26.863 -6.577 7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 48 25.736 -7.625 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 48 28.749 -8.048 7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 48 27.565 -8.889 8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 28.041 -10.315 6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.549 -9.625 5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 27.978 -9.080 5.111 1.00 0.00 H new ATOM 795 N LEU A 49 26.589 -4.236 3.326 1.00 0.00 N ATOM 796 CA LEU A 49 25.644 -3.192 2.907 1.00 0.00 C ATOM 797 C LEU A 49 25.001 -2.528 4.118 1.00 0.00 C ATOM 798 O LEU A 49 25.186 -1.336 4.355 1.00 0.00 O ATOM 799 CB LEU A 49 24.562 -3.778 1.945 1.00 0.00 C ATOM 800 CG LEU A 49 23.641 -2.767 1.213 1.00 0.00 C ATOM 801 CD1 LEU A 49 22.571 -2.200 2.138 1.00 0.00 C ATOM 802 CD2 LEU A 49 24.458 -1.646 0.593 1.00 0.00 C ATOM 0 H LEU A 49 26.297 -5.187 3.103 1.00 0.00 H new ATOM 0 HA LEU A 49 26.198 -2.428 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 49 25.070 -4.379 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 49 23.930 -4.455 2.520 1.00 0.00 H new ATOM 0 HG LEU A 49 23.132 -3.310 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 49 21.948 -1.497 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 49 21.951 -3.012 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 49 23.047 -1.685 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 49 23.792 -0.949 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 49 25.006 -1.120 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 49 25.163 -2.064 -0.126 1.00 0.00 H new ATOM 814 N ALA A 50 24.252 -3.298 4.881 1.00 0.00 N ATOM 815 CA ALA A 50 23.587 -2.767 6.053 1.00 0.00 C ATOM 816 C ALA A 50 24.554 -2.683 7.215 1.00 0.00 C ATOM 817 O ALA A 50 24.532 -1.719 7.975 1.00 0.00 O ATOM 818 CB ALA A 50 22.381 -3.621 6.419 1.00 0.00 C ATOM 0 H ALA A 50 24.089 -4.290 4.711 1.00 0.00 H new ATOM 0 HA ALA A 50 23.235 -1.761 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 50 21.895 -3.205 7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 50 21.676 -3.630 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 50 22.707 -4.640 6.630 1.00 0.00 H new ATOM 824 N ASP A 51 25.447 -3.679 7.290 1.00 0.00 N ATOM 825 CA ASP A 51 26.433 -3.811 8.381 1.00 0.00 C ATOM 826 C ASP A 51 25.780 -3.641 9.745 1.00 0.00 C ATOM 827 O ASP A 51 25.659 -2.527 10.263 1.00 0.00 O ATOM 828 CB ASP A 51 27.599 -2.834 8.213 1.00 0.00 C ATOM 829 CG ASP A 51 28.701 -3.081 9.225 1.00 0.00 C ATOM 830 OD1 ASP A 51 29.344 -4.152 9.159 1.00 0.00 O ATOM 831 OD2 ASP A 51 28.935 -2.213 10.081 1.00 0.00 O ATOM 0 H ASP A 51 25.509 -4.422 6.594 1.00 0.00 H new ATOM 0 HA ASP A 51 26.836 -4.822 8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 51 28.005 -2.925 7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 51 27.233 -1.813 8.318 1.00 0.00 H new ATOM 836 N TYR A 52 25.371 -4.743 10.324 1.00 0.00 N ATOM 837 CA TYR A 52 24.670 -4.722 11.582 1.00 0.00 C ATOM 838 C TYR A 52 25.660 -4.925 12.722 1.00 0.00 C ATOM 839 O TYR A 52 25.919 -6.089 13.089 1.00 0.00 O ATOM 840 CB TYR A 52 23.603 -5.826 11.582 1.00 0.00 C ATOM 841 CG TYR A 52 22.580 -5.722 12.691 1.00 0.00 C ATOM 842 CD1 TYR A 52 21.515 -4.837 12.593 1.00 0.00 C ATOM 843 CD2 TYR A 52 22.671 -6.518 13.824 1.00 0.00 C ATOM 844 CE1 TYR A 52 20.571 -4.748 13.593 1.00 0.00 C ATOM 845 CE2 TYR A 52 21.730 -6.433 14.830 1.00 0.00 C ATOM 846 CZ TYR A 52 20.683 -5.547 14.709 1.00 0.00 C ATOM 847 OH TYR A 52 19.742 -5.462 15.705 1.00 0.00 O ATOM 848 OXT TYR A 52 26.196 -3.922 13.230 1.00 0.00 O ATOM 0 H TYR A 52 25.514 -5.676 9.937 1.00 0.00 H new ATOM 0 HA TYR A 52 24.179 -3.759 11.721 1.00 0.00 H new ATOM 0 HB2 TYR A 52 23.083 -5.808 10.624 1.00 0.00 H new ATOM 0 HB3 TYR A 52 24.101 -6.793 11.656 1.00 0.00 H new ATOM 0 HD1 TYR A 52 21.425 -4.208 11.719 1.00 0.00 H new ATOM 0 HD2 TYR A 52 23.491 -7.215 13.920 1.00 0.00 H new ATOM 0 HE1 TYR A 52 19.748 -4.055 13.502 1.00 0.00 H new ATOM 0 HE2 TYR A 52 21.814 -7.058 15.707 1.00 0.00 H new ATOM 0 HH TYR A 52 19.966 -6.093 16.421 1.00 0.00 H new TER 858 TYR A 52