USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 519 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 -9 SER OG : rot -170:sc= 0 USER MOD Set 1.2: A -11 HIS : no HD1:sc= 0 X(o=0,f=0.32) USER MOD Set 2.1: A -10 SER OG : rot -159:sc= 0.955 USER MOD Set 2.2: A -12 HIS : no HE2:sc= 1.26 K(o=2.2,f=-8.8!) USER MOD Set 3.1: A -2 GLN : amide:sc= 1.01 K(o=1.7,f=-5.9) USER MOD Set 3.2: A 36 LYS NZ :NH3+ -166:sc= 0.672 (180deg=-1.23!) USER MOD Set 4.1: A 35 TYR OH : rot 180:sc= -0.385 USER MOD Set 4.2: A 39 ASN : amide:sc= 0.181 X(o=-0.2,f=0.27) USER MOD Set 5.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 14 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 5 THR OG1 : rot 90:sc= -1.71! USER MOD Single : A 6 CYS SG : rot 180:sc= 0.0245 USER MOD Single : A 9 ASN : amide:sc= 1.02 K(o=1,f=-1.6) USER MOD Single : A 11 GLN : amide:sc= -0.904 K(o=-0.9,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -80:sc= -0.748 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.328! C(o=-0.33!,f=-10!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0.05) USER MOD Single : A 29 ASN : amide:sc= -9.57! C(o=-9.6!,f=-9.3!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= 0.426 K(o=0.43,f=-2.4!) USER MOD Single : A 41 ASN : amide:sc= -0.0392 X(o=-0.039,f=-0.45) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -0.012 (180deg=-0.182) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0371 (180deg=-0.263) USER MOD Single : A -13 HIS : no HD1:sc= -0.0452 X(o=-0.045,f=-0.0048) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -15 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A -16 HIS : no HD1:sc=-0.00878 X(o=-0.0088,f=-0.35) USER MOD Single : A -18 MET CE :methyl -161:sc= -0.0843 (180deg=-0.548) USER MOD Single : A -18 MET N :NH3+ -176:sc= 0 (180deg=-0.00747) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 16.753 13.337 -17.316 1.00 16.77 N ATOM 2 CA MET A -18 18.207 13.219 -17.579 1.00 16.30 C ATOM 3 C MET A -18 18.492 12.018 -18.466 1.00 15.80 C ATOM 4 O MET A -18 18.935 12.167 -19.602 1.00 15.75 O ATOM 5 CB MET A -18 18.990 13.101 -16.266 1.00 16.41 C ATOM 6 CG MET A -18 19.064 14.397 -15.477 1.00 16.85 C ATOM 7 SD MET A -18 19.993 15.683 -16.338 1.00 17.18 S ATOM 8 CE MET A -18 21.637 14.964 -16.368 1.00 17.45 C ATOM 0 H1 MET A -18 16.569 14.200 -16.766 1.00 16.77 H new ATOM 0 H2 MET A -18 16.240 13.386 -18.219 1.00 16.77 H new ATOM 0 H3 MET A -18 16.429 12.508 -16.778 1.00 16.77 H new ATOM 0 HA MET A -18 18.531 14.122 -18.095 1.00 16.30 H new ATOM 0 HB2 MET A -18 18.526 12.335 -15.645 1.00 16.41 H new ATOM 0 HB3 MET A -18 20.002 12.763 -16.487 1.00 16.41 H new ATOM 0 HG2 MET A -18 18.054 14.755 -15.278 1.00 16.85 H new ATOM 0 HG3 MET A -18 19.529 14.203 -14.511 1.00 16.85 H new ATOM 0 HE1 MET A -18 22.373 15.747 -16.550 1.00 17.45 H new ATOM 0 HE2 MET A -18 21.843 14.488 -15.409 1.00 17.45 H new ATOM 0 HE3 MET A -18 21.694 14.220 -17.163 1.00 17.45 H new ATOM 20 N ALA A -17 18.232 10.828 -17.947 1.00 15.58 N ATOM 21 CA ALA A -17 18.424 9.603 -18.705 1.00 15.28 C ATOM 22 C ALA A -17 17.495 8.516 -18.185 1.00 14.65 C ATOM 23 O ALA A -17 17.925 7.403 -17.882 1.00 14.54 O ATOM 24 CB ALA A -17 19.876 9.152 -18.628 1.00 15.75 C ATOM 0 H ALA A -17 17.886 10.685 -16.998 1.00 15.58 H new ATOM 0 HA ALA A -17 18.183 9.795 -19.750 1.00 15.28 H new ATOM 0 HB1 ALA A -17 20.003 8.233 -19.201 1.00 15.75 H new ATOM 0 HB2 ALA A -17 20.520 9.928 -19.040 1.00 15.75 H new ATOM 0 HB3 ALA A -17 20.146 8.971 -17.588 1.00 15.75 H new ATOM 30 N HIS A -16 16.215 8.845 -18.083 1.00 14.40 N ATOM 31 CA HIS A -16 15.229 7.919 -17.541 1.00 13.97 C ATOM 32 C HIS A -16 14.831 6.883 -18.595 1.00 13.40 C ATOM 33 O HIS A -16 13.693 6.857 -19.067 1.00 13.34 O ATOM 34 CB HIS A -16 13.997 8.687 -17.043 1.00 14.30 C ATOM 35 CG HIS A -16 13.046 7.857 -16.228 1.00 14.69 C ATOM 36 ND1 HIS A -16 11.936 7.244 -16.765 1.00 15.06 N ATOM 37 CD2 HIS A -16 13.044 7.547 -14.911 1.00 14.94 C ATOM 38 CE1 HIS A -16 11.292 6.593 -15.815 1.00 15.50 C ATOM 39 NE2 HIS A -16 11.943 6.758 -14.681 1.00 15.44 N ATOM 0 H HIS A -16 15.834 9.747 -18.369 1.00 14.40 H new ATOM 0 HA HIS A -16 15.672 7.392 -16.696 1.00 13.97 H new ATOM 0 HB2 HIS A -16 14.328 9.535 -16.443 1.00 14.30 H new ATOM 0 HB3 HIS A -16 13.463 9.093 -17.902 1.00 14.30 H new ATOM 0 HD2 HIS A -16 13.772 7.861 -14.178 1.00 14.94 H new ATOM 0 HE1 HIS A -16 10.385 6.022 -15.945 1.00 15.50 H new ATOM 0 HE2 HIS A -16 11.673 6.364 -13.780 1.00 15.44 H new ATOM 48 N HIS A -15 15.781 6.037 -18.969 1.00 13.18 N ATOM 49 CA HIS A -15 15.522 4.960 -19.920 1.00 12.80 C ATOM 50 C HIS A -15 15.774 3.613 -19.251 1.00 12.10 C ATOM 51 O HIS A -15 16.016 2.605 -19.913 1.00 12.11 O ATOM 52 CB HIS A -15 16.383 5.107 -21.186 1.00 13.32 C ATOM 53 CG HIS A -15 17.863 4.975 -20.962 1.00 13.69 C ATOM 54 ND1 HIS A -15 18.550 3.793 -21.137 1.00 14.05 N ATOM 55 CD2 HIS A -15 18.791 5.892 -20.597 1.00 13.95 C ATOM 56 CE1 HIS A -15 19.832 3.989 -20.892 1.00 14.50 C ATOM 57 NE2 HIS A -15 20.003 5.253 -20.563 1.00 14.45 N ATOM 0 H HIS A -15 16.742 6.074 -18.628 1.00 13.18 H new ATOM 0 HA HIS A -15 14.478 5.018 -20.229 1.00 12.80 H new ATOM 0 HB2 HIS A -15 16.071 4.354 -21.910 1.00 13.32 H new ATOM 0 HB3 HIS A -15 16.183 6.081 -21.633 1.00 13.32 H new ATOM 0 HD2 HIS A -15 18.609 6.933 -20.374 1.00 13.95 H new ATOM 0 HE1 HIS A -15 20.608 3.241 -20.951 1.00 14.50 H new ATOM 0 HE2 HIS A -15 20.894 5.687 -20.322 1.00 14.45 H new ATOM 66 N HIS A -14 15.718 3.622 -17.931 1.00 11.67 N ATOM 67 CA HIS A -14 15.934 2.425 -17.136 1.00 11.15 C ATOM 68 C HIS A -14 15.046 2.476 -15.899 1.00 10.45 C ATOM 69 O HIS A -14 15.425 3.049 -14.877 1.00 10.24 O ATOM 70 CB HIS A -14 17.412 2.316 -16.736 1.00 11.34 C ATOM 71 CG HIS A -14 17.751 1.088 -15.946 1.00 11.78 C ATOM 72 ND1 HIS A -14 18.127 -0.101 -16.529 1.00 12.06 N ATOM 73 CD2 HIS A -14 17.781 0.874 -14.610 1.00 12.20 C ATOM 74 CE1 HIS A -14 18.372 -0.992 -15.587 1.00 12.61 C ATOM 75 NE2 HIS A -14 18.170 -0.426 -14.412 1.00 12.71 N ATOM 0 H HIS A -14 15.522 4.458 -17.380 1.00 11.67 H new ATOM 0 HA HIS A -14 15.675 1.545 -17.724 1.00 11.15 H new ATOM 0 HB2 HIS A -14 18.022 2.332 -17.639 1.00 11.34 H new ATOM 0 HB3 HIS A -14 17.684 3.195 -16.152 1.00 11.34 H new ATOM 0 HD2 HIS A -14 17.543 1.594 -13.841 1.00 12.20 H new ATOM 0 HE1 HIS A -14 18.685 -2.013 -15.750 1.00 12.61 H new ATOM 0 HE2 HIS A -14 18.284 -0.881 -13.506 1.00 12.71 H new ATOM 84 N HIS A -13 13.857 1.898 -16.003 1.00 10.29 N ATOM 85 CA HIS A -13 12.902 1.922 -14.900 1.00 9.83 C ATOM 86 C HIS A -13 13.465 1.196 -13.682 1.00 9.17 C ATOM 87 O HIS A -13 14.184 0.204 -13.812 1.00 9.24 O ATOM 88 CB HIS A -13 11.549 1.312 -15.316 1.00 10.33 C ATOM 89 CG HIS A -13 11.587 -0.158 -15.626 1.00 10.72 C ATOM 90 ND1 HIS A -13 11.691 -0.655 -16.905 1.00 11.23 N ATOM 91 CD2 HIS A -13 11.521 -1.240 -14.812 1.00 10.91 C ATOM 92 CE1 HIS A -13 11.688 -1.974 -16.865 1.00 11.69 C ATOM 93 NE2 HIS A -13 11.586 -2.355 -15.608 1.00 11.52 N ATOM 0 H HIS A -13 13.530 1.408 -16.836 1.00 10.29 H new ATOM 0 HA HIS A -13 12.731 2.965 -14.633 1.00 9.83 H new ATOM 0 HB2 HIS A -13 10.829 1.481 -14.515 1.00 10.33 H new ATOM 0 HB3 HIS A -13 11.181 1.844 -16.193 1.00 10.33 H new ATOM 0 HD2 HIS A -13 11.433 -1.227 -13.736 1.00 10.91 H new ATOM 0 HE1 HIS A -13 11.758 -2.631 -17.719 1.00 11.69 H new ATOM 0 HE2 HIS A -13 11.560 -3.321 -15.281 1.00 11.52 H new ATOM 102 N HIS A -12 13.143 1.697 -12.506 1.00 8.78 N ATOM 103 CA HIS A -12 13.604 1.093 -11.269 1.00 8.39 C ATOM 104 C HIS A -12 12.416 0.647 -10.428 1.00 7.80 C ATOM 105 O HIS A -12 11.569 1.455 -10.047 1.00 7.91 O ATOM 106 CB HIS A -12 14.511 2.053 -10.477 1.00 8.72 C ATOM 107 CG HIS A -12 13.931 3.417 -10.234 1.00 8.98 C ATOM 108 ND1 HIS A -12 13.277 3.768 -9.072 1.00 9.31 N ATOM 109 CD2 HIS A -12 13.927 4.525 -11.011 1.00 9.28 C ATOM 110 CE1 HIS A -12 12.898 5.029 -9.147 1.00 9.77 C ATOM 111 NE2 HIS A -12 13.280 5.510 -10.312 1.00 9.76 N ATOM 0 H HIS A -12 12.561 2.525 -12.380 1.00 8.78 H new ATOM 0 HA HIS A -12 14.201 0.217 -11.521 1.00 8.39 H new ATOM 0 HB2 HIS A -12 14.745 1.597 -9.515 1.00 8.72 H new ATOM 0 HB3 HIS A -12 15.453 2.165 -11.014 1.00 8.72 H new ATOM 0 HD1 HIS A -12 13.112 3.149 -8.278 1.00 9.31 H new ATOM 0 HD2 HIS A -12 14.354 4.616 -11.999 1.00 9.28 H new ATOM 0 HE1 HIS A -12 12.365 5.575 -8.383 1.00 9.77 H new ATOM 120 N HIS A -11 12.353 -0.648 -10.162 1.00 7.48 N ATOM 121 CA HIS A -11 11.264 -1.222 -9.386 1.00 7.19 C ATOM 122 C HIS A -11 11.499 -0.982 -7.898 1.00 6.46 C ATOM 123 O HIS A -11 11.894 -1.883 -7.161 1.00 6.49 O ATOM 124 CB HIS A -11 11.142 -2.722 -9.681 1.00 7.84 C ATOM 125 CG HIS A -11 9.937 -3.372 -9.067 1.00 8.37 C ATOM 126 ND1 HIS A -11 10.009 -4.244 -8.002 1.00 8.98 N ATOM 127 CD2 HIS A -11 8.627 -3.278 -9.385 1.00 8.69 C ATOM 128 CE1 HIS A -11 8.796 -4.658 -7.692 1.00 9.59 C ATOM 129 NE2 HIS A -11 7.939 -4.086 -8.516 1.00 9.44 N ATOM 0 H HIS A -11 13.048 -1.326 -10.474 1.00 7.48 H new ATOM 0 HA HIS A -11 10.330 -0.738 -9.670 1.00 7.19 H new ATOM 0 HB2 HIS A -11 11.109 -2.867 -10.761 1.00 7.84 H new ATOM 0 HB3 HIS A -11 12.038 -3.226 -9.319 1.00 7.84 H new ATOM 0 HD2 HIS A -11 8.201 -2.678 -10.176 1.00 8.69 H new ATOM 0 HE1 HIS A -11 8.547 -5.348 -6.899 1.00 9.59 H new ATOM 0 HE2 HIS A -11 6.928 -4.223 -8.508 1.00 9.44 H new ATOM 138 N SER A -10 11.268 0.244 -7.469 1.00 6.16 N ATOM 139 CA SER A -10 11.468 0.617 -6.082 1.00 5.80 C ATOM 140 C SER A -10 10.235 0.281 -5.253 1.00 5.14 C ATOM 141 O SER A -10 9.218 0.970 -5.319 1.00 5.44 O ATOM 142 CB SER A -10 11.787 2.108 -5.995 1.00 6.45 C ATOM 143 OG SER A -10 12.921 2.424 -6.789 1.00 7.05 O ATOM 0 H SER A -10 10.939 1.003 -8.066 1.00 6.16 H new ATOM 0 HA SER A -10 12.307 0.051 -5.678 1.00 5.80 H new ATOM 0 HB2 SER A -10 10.928 2.689 -6.331 1.00 6.45 H new ATOM 0 HB3 SER A -10 11.974 2.385 -4.958 1.00 6.45 H new ATOM 0 HG SER A -10 13.312 3.268 -6.480 1.00 7.05 H new ATOM 149 N SER A -9 10.321 -0.800 -4.497 1.00 4.65 N ATOM 150 CA SER A -9 9.221 -1.227 -3.650 1.00 4.40 C ATOM 151 C SER A -9 9.723 -1.518 -2.240 1.00 3.47 C ATOM 152 O SER A -9 9.635 -2.648 -1.751 1.00 3.79 O ATOM 153 CB SER A -9 8.549 -2.463 -4.252 1.00 5.30 C ATOM 154 OG SER A -9 8.135 -2.211 -5.586 1.00 6.01 O ATOM 0 H SER A -9 11.145 -1.400 -4.453 1.00 4.65 H new ATOM 0 HA SER A -9 8.485 -0.426 -3.591 1.00 4.40 H new ATOM 0 HB2 SER A -9 9.242 -3.304 -4.234 1.00 5.30 H new ATOM 0 HB3 SER A -9 7.688 -2.746 -3.646 1.00 5.30 H new ATOM 0 HG SER A -9 7.572 -2.950 -5.899 1.00 6.01 H new ATOM 160 N GLY A -8 10.265 -0.490 -1.597 1.00 2.88 N ATOM 161 CA GLY A -8 10.775 -0.637 -0.248 1.00 2.53 C ATOM 162 C GLY A -8 9.667 -0.789 0.772 1.00 2.03 C ATOM 163 O GLY A -8 9.892 -1.304 1.868 1.00 2.46 O ATOM 0 H GLY A -8 10.360 0.447 -1.989 1.00 2.88 H new ATOM 0 HA2 GLY A -8 11.430 -1.507 -0.202 1.00 2.53 H new ATOM 0 HA3 GLY A -8 11.382 0.232 0.005 1.00 2.53 H new ATOM 167 N LEU A -7 8.473 -0.344 0.392 1.00 1.44 N ATOM 168 CA LEU A -7 7.289 -0.415 1.241 1.00 1.02 C ATOM 169 C LEU A -7 7.433 0.504 2.449 1.00 1.01 C ATOM 170 O LEU A -7 7.603 0.042 3.582 1.00 1.40 O ATOM 171 CB LEU A -7 7.002 -1.852 1.704 1.00 0.97 C ATOM 172 CG LEU A -7 6.874 -2.901 0.595 1.00 1.54 C ATOM 173 CD1 LEU A -7 6.611 -4.272 1.198 1.00 2.25 C ATOM 174 CD2 LEU A -7 5.767 -2.533 -0.381 1.00 2.06 C ATOM 0 H LEU A -7 8.299 0.079 -0.520 1.00 1.44 H new ATOM 0 HA LEU A -7 6.443 -0.082 0.640 1.00 1.02 H new ATOM 0 HB2 LEU A -7 7.800 -2.161 2.379 1.00 0.97 H new ATOM 0 HB3 LEU A -7 6.078 -1.849 2.282 1.00 0.97 H new ATOM 0 HG LEU A -7 7.814 -2.930 0.044 1.00 1.54 H new ATOM 0 HD11 LEU A -7 6.522 -5.009 0.400 1.00 2.25 H new ATOM 0 HD12 LEU A -7 7.437 -4.545 1.854 1.00 2.25 H new ATOM 0 HD13 LEU A -7 5.685 -4.245 1.772 1.00 2.25 H new ATOM 0 HD21 LEU A -7 5.698 -3.295 -1.158 1.00 2.06 H new ATOM 0 HD22 LEU A -7 4.818 -2.471 0.152 1.00 2.06 H new ATOM 0 HD23 LEU A -7 5.990 -1.569 -0.838 1.00 2.06 H new ATOM 186 N GLU A -6 7.362 1.807 2.201 1.00 1.01 N ATOM 187 CA GLU A -6 7.381 2.797 3.269 1.00 1.15 C ATOM 188 C GLU A -6 6.863 4.137 2.758 1.00 1.03 C ATOM 189 O GLU A -6 7.103 4.500 1.610 1.00 1.77 O ATOM 190 CB GLU A -6 8.794 2.958 3.835 1.00 1.65 C ATOM 191 CG GLU A -6 8.886 3.962 4.973 1.00 2.27 C ATOM 192 CD GLU A -6 7.953 3.629 6.120 1.00 2.92 C ATOM 193 OE1 GLU A -6 8.404 2.999 7.097 1.00 3.35 O ATOM 194 OE2 GLU A -6 6.760 4.008 6.058 1.00 3.44 O ATOM 0 H GLU A -6 7.290 2.203 1.264 1.00 1.01 H new ATOM 0 HA GLU A -6 6.728 2.449 4.069 1.00 1.15 H new ATOM 0 HB2 GLU A -6 9.147 1.989 4.188 1.00 1.65 H new ATOM 0 HB3 GLU A -6 9.464 3.269 3.033 1.00 1.65 H new ATOM 0 HG2 GLU A -6 9.911 3.995 5.341 1.00 2.27 H new ATOM 0 HG3 GLU A -6 8.651 4.957 4.595 1.00 2.27 H new ATOM 201 N VAL A -5 6.144 4.861 3.613 1.00 0.68 N ATOM 202 CA VAL A -5 5.634 6.179 3.256 1.00 0.59 C ATOM 203 C VAL A -5 6.044 7.212 4.307 1.00 0.89 C ATOM 204 O VAL A -5 5.915 8.416 4.087 1.00 1.67 O ATOM 205 CB VAL A -5 4.095 6.189 3.090 1.00 0.46 C ATOM 206 CG1 VAL A -5 3.388 6.226 4.434 1.00 0.71 C ATOM 207 CG2 VAL A -5 3.668 7.353 2.220 1.00 0.85 C ATOM 0 H VAL A -5 5.903 4.556 4.556 1.00 0.68 H new ATOM 0 HA VAL A -5 6.073 6.439 2.293 1.00 0.59 H new ATOM 0 HB VAL A -5 3.804 5.261 2.597 1.00 0.46 H new ATOM 0 HG11 VAL A -5 2.309 6.232 4.278 1.00 0.71 H new ATOM 0 HG12 VAL A -5 3.665 5.347 5.015 1.00 0.71 H new ATOM 0 HG13 VAL A -5 3.681 7.126 4.975 1.00 0.71 H new ATOM 0 HG21 VAL A -5 2.583 7.348 2.112 1.00 0.85 H new ATOM 0 HG22 VAL A -5 3.982 8.288 2.684 1.00 0.85 H new ATOM 0 HG23 VAL A -5 4.131 7.262 1.237 1.00 0.85 H new ATOM 217 N LEU A -4 6.528 6.721 5.451 1.00 0.83 N ATOM 218 CA LEU A -4 7.045 7.564 6.536 1.00 1.12 C ATOM 219 C LEU A -4 5.919 8.244 7.330 1.00 1.15 C ATOM 220 O LEU A -4 5.742 7.962 8.516 1.00 1.67 O ATOM 221 CB LEU A -4 8.054 8.597 5.987 1.00 1.58 C ATOM 222 CG LEU A -4 8.879 9.388 7.021 1.00 2.31 C ATOM 223 CD1 LEU A -4 8.070 10.523 7.634 1.00 3.12 C ATOM 224 CD2 LEU A -4 9.410 8.465 8.110 1.00 2.85 C ATOM 0 H LEU A -4 6.573 5.722 5.653 1.00 0.83 H new ATOM 0 HA LEU A -4 7.569 6.913 7.236 1.00 1.12 H new ATOM 0 HB2 LEU A -4 8.748 8.075 5.328 1.00 1.58 H new ATOM 0 HB3 LEU A -4 7.507 9.312 5.372 1.00 1.58 H new ATOM 0 HG LEU A -4 9.725 9.829 6.494 1.00 2.31 H new ATOM 0 HD11 LEU A -4 8.684 11.058 8.358 1.00 3.12 H new ATOM 0 HD12 LEU A -4 7.754 11.210 6.849 1.00 3.12 H new ATOM 0 HD13 LEU A -4 7.192 10.115 8.135 1.00 3.12 H new ATOM 0 HD21 LEU A -4 9.989 9.045 8.828 1.00 2.85 H new ATOM 0 HD22 LEU A -4 8.574 7.986 8.620 1.00 2.85 H new ATOM 0 HD23 LEU A -4 10.047 7.702 7.662 1.00 2.85 H new ATOM 236 N PHE A -3 5.154 9.124 6.690 1.00 1.03 N ATOM 237 CA PHE A -3 4.177 9.946 7.411 1.00 1.19 C ATOM 238 C PHE A -3 2.805 9.272 7.520 1.00 1.23 C ATOM 239 O PHE A -3 1.787 9.818 7.092 1.00 2.17 O ATOM 240 CB PHE A -3 4.064 11.350 6.782 1.00 1.32 C ATOM 241 CG PHE A -3 3.806 11.379 5.293 1.00 1.09 C ATOM 242 CD1 PHE A -3 4.840 11.172 4.393 1.00 1.05 C ATOM 243 CD2 PHE A -3 2.530 11.594 4.799 1.00 1.27 C ATOM 244 CE1 PHE A -3 4.605 11.182 3.032 1.00 1.10 C ATOM 245 CE2 PHE A -3 2.290 11.607 3.437 1.00 1.30 C ATOM 246 CZ PHE A -3 3.336 11.465 2.554 1.00 1.15 C ATOM 0 H PHE A -3 5.188 9.288 5.684 1.00 1.03 H new ATOM 0 HA PHE A -3 4.549 10.057 8.430 1.00 1.19 H new ATOM 0 HB2 PHE A -3 3.260 11.889 7.283 1.00 1.32 H new ATOM 0 HB3 PHE A -3 4.987 11.894 6.984 1.00 1.32 H new ATOM 0 HD1 PHE A -3 5.841 11.001 4.760 1.00 1.05 H new ATOM 0 HD2 PHE A -3 1.712 11.754 5.486 1.00 1.27 H new ATOM 0 HE1 PHE A -3 5.408 10.970 2.342 1.00 1.10 H new ATOM 0 HE2 PHE A -3 1.283 11.728 3.067 1.00 1.30 H new ATOM 0 HZ PHE A -3 3.168 11.574 1.493 1.00 1.15 H new ATOM 256 N GLN A -2 2.793 8.088 8.125 1.00 0.89 N ATOM 257 CA GLN A -2 1.564 7.343 8.397 1.00 0.86 C ATOM 258 C GLN A -2 1.906 6.056 9.144 1.00 1.00 C ATOM 259 O GLN A -2 2.660 5.226 8.634 1.00 1.69 O ATOM 260 CB GLN A -2 0.818 7.010 7.099 1.00 1.18 C ATOM 261 CG GLN A -2 -0.448 6.189 7.310 1.00 1.89 C ATOM 262 CD GLN A -2 -1.574 6.990 7.922 1.00 2.22 C ATOM 263 OE1 GLN A -2 -1.692 8.187 7.678 1.00 2.74 O ATOM 264 NE2 GLN A -2 -2.394 6.341 8.733 1.00 2.71 N ATOM 0 H GLN A -2 3.639 7.614 8.443 1.00 0.89 H new ATOM 0 HA GLN A -2 0.912 7.965 9.010 1.00 0.86 H new ATOM 0 HB2 GLN A -2 0.557 7.939 6.592 1.00 1.18 H new ATOM 0 HB3 GLN A -2 1.488 6.463 6.436 1.00 1.18 H new ATOM 0 HG2 GLN A -2 -0.776 5.784 6.353 1.00 1.89 H new ATOM 0 HG3 GLN A -2 -0.221 5.340 7.955 1.00 1.89 H new ATOM 0 HE21 GLN A -2 -2.257 5.345 8.906 1.00 2.71 H new ATOM 0 HE22 GLN A -2 -3.163 6.837 9.185 1.00 2.71 H new ATOM 273 N GLY A -1 1.353 5.892 10.338 1.00 0.85 N ATOM 274 CA GLY A -1 1.682 4.742 11.164 1.00 1.20 C ATOM 275 C GLY A -1 1.004 3.460 10.709 1.00 0.93 C ATOM 276 O GLY A -1 -0.222 3.416 10.579 1.00 1.43 O ATOM 0 H GLY A -1 0.680 6.536 10.753 1.00 0.85 H new ATOM 0 HA2 GLY A -1 2.762 4.596 11.157 1.00 1.20 H new ATOM 0 HA3 GLY A -1 1.395 4.950 12.195 1.00 1.20 H new ATOM 280 N PRO A 0 1.785 2.401 10.430 1.00 0.95 N ATOM 281 CA PRO A 0 1.263 1.086 10.076 1.00 1.19 C ATOM 282 C PRO A 0 1.172 0.143 11.283 1.00 1.08 C ATOM 283 O PRO A 0 1.892 0.316 12.271 1.00 1.62 O ATOM 284 CB PRO A 0 2.317 0.592 9.092 1.00 1.86 C ATOM 285 CG PRO A 0 3.606 1.178 9.585 1.00 2.08 C ATOM 286 CD PRO A 0 3.258 2.406 10.401 1.00 1.60 C ATOM 0 HA PRO A 0 0.247 1.124 9.682 1.00 1.19 H new ATOM 0 HB2 PRO A 0 2.360 -0.497 9.072 1.00 1.86 H new ATOM 0 HB3 PRO A 0 2.096 0.921 8.077 1.00 1.86 H new ATOM 0 HG2 PRO A 0 4.150 0.454 10.192 1.00 2.08 H new ATOM 0 HG3 PRO A 0 4.253 1.443 8.749 1.00 2.08 H new ATOM 0 HD2 PRO A 0 3.678 2.352 11.405 1.00 1.60 H new ATOM 0 HD3 PRO A 0 3.646 3.315 9.942 1.00 1.60 H new ATOM 294 N ARG A 1 0.296 -0.858 11.195 1.00 1.01 N ATOM 295 CA ARG A 1 0.130 -1.836 12.270 1.00 1.19 C ATOM 296 C ARG A 1 -0.815 -2.963 11.852 1.00 0.86 C ATOM 297 O ARG A 1 -2.036 -2.810 11.951 1.00 1.02 O ATOM 298 CB ARG A 1 -0.411 -1.161 13.534 1.00 1.95 C ATOM 299 CG ARG A 1 -0.507 -2.094 14.730 1.00 2.38 C ATOM 300 CD ARG A 1 -1.136 -1.399 15.924 1.00 3.12 C ATOM 301 NE ARG A 1 -2.504 -0.962 15.642 1.00 3.69 N ATOM 302 CZ ARG A 1 -3.051 0.146 16.142 1.00 4.54 C ATOM 303 NH1 ARG A 1 -2.348 0.931 16.948 1.00 4.90 N ATOM 304 NH2 ARG A 1 -4.300 0.466 15.834 1.00 5.35 N ATOM 0 H ARG A 1 -0.310 -1.013 10.389 1.00 1.01 H new ATOM 0 HA ARG A 1 1.111 -2.262 12.479 1.00 1.19 H new ATOM 0 HB2 ARG A 1 0.233 -0.320 13.791 1.00 1.95 H new ATOM 0 HB3 ARG A 1 -1.399 -0.752 13.323 1.00 1.95 H new ATOM 0 HG2 ARG A 1 -1.098 -2.970 14.464 1.00 2.38 H new ATOM 0 HG3 ARG A 1 0.488 -2.450 14.997 1.00 2.38 H new ATOM 0 HD2 ARG A 1 -1.140 -2.076 16.778 1.00 3.12 H new ATOM 0 HD3 ARG A 1 -0.530 -0.537 16.203 1.00 3.12 H new ATOM 0 HE ARG A 1 -3.074 -1.541 15.025 1.00 3.69 H new ATOM 0 HH11 ARG A 1 -1.387 0.687 17.186 1.00 4.90 H new ATOM 0 HH12 ARG A 1 -2.769 1.778 17.329 1.00 4.90 H new ATOM 0 HH21 ARG A 1 -4.843 -0.136 15.214 1.00 5.35 H new ATOM 0 HH22 ARG A 1 -4.718 1.314 16.217 1.00 5.35 H new ATOM 318 N ARG A 2 -0.233 -4.075 11.383 1.00 0.78 N ATOM 319 CA ARG A 2 -0.975 -5.286 10.977 1.00 0.56 C ATOM 320 C ARG A 2 -0.044 -6.182 10.153 1.00 0.65 C ATOM 321 O ARG A 2 0.953 -5.695 9.614 1.00 1.49 O ATOM 322 CB ARG A 2 -2.257 -4.926 10.188 1.00 0.50 C ATOM 323 CG ARG A 2 -3.519 -5.386 10.881 1.00 0.88 C ATOM 324 CD ARG A 2 -4.740 -4.632 10.386 1.00 1.32 C ATOM 325 NE ARG A 2 -5.981 -5.253 10.844 1.00 1.72 N ATOM 326 CZ ARG A 2 -7.108 -4.587 11.101 1.00 2.37 C ATOM 327 NH1 ARG A 2 -7.142 -3.262 11.017 1.00 2.94 N ATOM 328 NH2 ARG A 2 -8.199 -5.251 11.457 1.00 2.90 N ATOM 0 H ARG A 2 0.777 -4.164 11.272 1.00 0.78 H new ATOM 0 HA ARG A 2 -1.299 -5.825 11.867 1.00 0.56 H new ATOM 0 HB2 ARG A 2 -2.299 -3.846 10.045 1.00 0.50 H new ATOM 0 HB3 ARG A 2 -2.207 -5.377 9.197 1.00 0.50 H new ATOM 0 HG2 ARG A 2 -3.658 -6.454 10.712 1.00 0.88 H new ATOM 0 HG3 ARG A 2 -3.415 -5.244 11.957 1.00 0.88 H new ATOM 0 HD2 ARG A 2 -4.698 -3.601 10.737 1.00 1.32 H new ATOM 0 HD3 ARG A 2 -4.730 -4.599 9.297 1.00 1.32 H new ATOM 0 HE ARG A 2 -5.986 -6.264 10.976 1.00 1.72 H new ATOM 0 HH11 ARG A 2 -6.302 -2.746 10.754 1.00 2.94 H new ATOM 0 HH12 ARG A 2 -8.008 -2.760 11.215 1.00 2.94 H new ATOM 0 HH21 ARG A 2 -8.175 -6.268 11.534 1.00 2.90 H new ATOM 0 HH22 ARG A 2 -9.062 -4.745 11.654 1.00 2.90 H new ATOM 342 N ALA A 3 -0.319 -7.490 10.093 1.00 0.64 N ATOM 343 CA ALA A 3 0.528 -8.398 9.312 1.00 0.58 C ATOM 344 C ALA A 3 -0.293 -9.332 8.420 1.00 0.60 C ATOM 345 O ALA A 3 -0.185 -9.284 7.194 1.00 1.09 O ATOM 346 CB ALA A 3 1.457 -9.206 10.219 1.00 0.69 C ATOM 0 H ALA A 3 -1.105 -7.937 10.566 1.00 0.64 H new ATOM 0 HA ALA A 3 1.137 -7.773 8.659 1.00 0.58 H new ATOM 0 HB1 ALA A 3 2.072 -9.870 9.611 1.00 0.69 H new ATOM 0 HB2 ALA A 3 2.100 -8.527 10.779 1.00 0.69 H new ATOM 0 HB3 ALA A 3 0.862 -9.798 10.914 1.00 0.69 H new ATOM 352 N GLY A 4 -1.108 -10.180 9.032 1.00 0.44 N ATOM 353 CA GLY A 4 -1.894 -11.143 8.273 1.00 0.52 C ATOM 354 C GLY A 4 -3.261 -10.598 7.901 1.00 0.39 C ATOM 355 O GLY A 4 -4.282 -11.198 8.231 1.00 0.54 O ATOM 0 H GLY A 4 -1.242 -10.221 10.042 1.00 0.44 H new ATOM 0 HA2 GLY A 4 -1.354 -11.416 7.366 1.00 0.52 H new ATOM 0 HA3 GLY A 4 -2.015 -12.054 8.859 1.00 0.52 H new ATOM 359 N THR A 5 -3.295 -9.465 7.215 1.00 0.26 N ATOM 360 CA THR A 5 -4.554 -8.794 6.939 1.00 0.18 C ATOM 361 C THR A 5 -4.793 -8.666 5.432 1.00 0.14 C ATOM 362 O THR A 5 -4.011 -9.180 4.637 1.00 0.15 O ATOM 363 CB THR A 5 -4.549 -7.409 7.616 1.00 0.25 C ATOM 364 OG1 THR A 5 -3.937 -7.533 8.905 1.00 0.38 O ATOM 365 CG2 THR A 5 -5.965 -6.858 7.796 1.00 0.34 C ATOM 0 H THR A 5 -2.470 -8.995 6.842 1.00 0.26 H new ATOM 0 HA THR A 5 -5.371 -9.390 7.346 1.00 0.18 H new ATOM 0 HB THR A 5 -3.996 -6.720 6.978 1.00 0.25 H new ATOM 0 HG1 THR A 5 -2.972 -7.383 8.825 1.00 0.38 H new ATOM 0 HG21 THR A 5 -5.917 -5.881 8.277 1.00 0.34 H new ATOM 0 HG22 THR A 5 -6.444 -6.760 6.822 1.00 0.34 H new ATOM 0 HG23 THR A 5 -6.544 -7.540 8.418 1.00 0.34 H new ATOM 373 N CYS A 6 -5.897 -8.022 5.058 1.00 0.15 N ATOM 374 CA CYS A 6 -6.225 -7.763 3.661 1.00 0.14 C ATOM 375 C CYS A 6 -6.439 -6.275 3.416 1.00 0.13 C ATOM 376 O CYS A 6 -6.848 -5.540 4.317 1.00 0.15 O ATOM 377 CB CYS A 6 -7.476 -8.548 3.280 1.00 0.17 C ATOM 378 SG CYS A 6 -8.618 -8.825 4.658 1.00 0.86 S ATOM 0 H CYS A 6 -6.589 -7.665 5.717 1.00 0.15 H new ATOM 0 HA CYS A 6 -5.390 -8.086 3.040 1.00 0.14 H new ATOM 0 HB2 CYS A 6 -8.001 -8.014 2.488 1.00 0.17 H new ATOM 0 HB3 CYS A 6 -7.177 -9.512 2.870 1.00 0.17 H new ATOM 0 HG CYS A 6 -9.649 -9.496 4.239 1.00 0.86 H new ATOM 384 N CYS A 7 -6.161 -5.838 2.190 1.00 0.12 N ATOM 385 CA CYS A 7 -6.151 -4.414 1.882 1.00 0.11 C ATOM 386 C CYS A 7 -7.558 -3.890 1.567 1.00 0.10 C ATOM 387 O CYS A 7 -8.231 -4.411 0.677 1.00 0.10 O ATOM 388 CB CYS A 7 -5.171 -4.127 0.738 1.00 0.14 C ATOM 389 SG CYS A 7 -4.904 -2.379 0.438 1.00 0.21 S ATOM 0 H CYS A 7 -5.942 -6.446 1.401 1.00 0.12 H new ATOM 0 HA CYS A 7 -5.810 -3.877 2.767 1.00 0.11 H new ATOM 0 HB2 CYS A 7 -4.214 -4.598 0.964 1.00 0.14 H new ATOM 0 HB3 CYS A 7 -5.546 -4.590 -0.175 1.00 0.14 H new ATOM 394 N ALA A 8 -7.972 -2.843 2.310 1.00 0.13 N ATOM 395 CA ALA A 8 -9.288 -2.184 2.183 1.00 0.17 C ATOM 396 C ALA A 8 -9.535 -1.551 0.817 1.00 0.21 C ATOM 397 O ALA A 8 -10.321 -0.611 0.692 1.00 0.31 O ATOM 398 CB ALA A 8 -9.443 -1.106 3.244 1.00 0.18 C ATOM 0 H ALA A 8 -7.387 -2.423 3.032 1.00 0.13 H new ATOM 0 HA ALA A 8 -10.023 -2.978 2.314 1.00 0.17 H new ATOM 0 HB1 ALA A 8 -10.417 -0.629 3.138 1.00 0.18 H new ATOM 0 HB2 ALA A 8 -9.365 -1.556 4.234 1.00 0.18 H new ATOM 0 HB3 ALA A 8 -8.658 -0.359 3.122 1.00 0.18 H new ATOM 404 N ASN A 9 -8.873 -2.054 -0.195 1.00 0.18 N ATOM 405 CA ASN A 9 -8.951 -1.466 -1.517 1.00 0.23 C ATOM 406 C ASN A 9 -8.560 -2.464 -2.591 1.00 0.24 C ATOM 407 O ASN A 9 -9.227 -2.563 -3.617 1.00 0.32 O ATOM 408 CB ASN A 9 -8.066 -0.222 -1.595 1.00 0.26 C ATOM 409 CG ASN A 9 -8.073 0.424 -2.973 1.00 0.38 C ATOM 410 OD1 ASN A 9 -9.019 1.121 -3.342 1.00 0.53 O ATOM 411 ND2 ASN A 9 -6.995 0.235 -3.725 1.00 0.57 N ATOM 0 H ASN A 9 -8.270 -2.874 -0.132 1.00 0.18 H new ATOM 0 HA ASN A 9 -9.986 -1.176 -1.696 1.00 0.23 H new ATOM 0 HB2 ASN A 9 -8.404 0.505 -0.857 1.00 0.26 H new ATOM 0 HB3 ASN A 9 -7.044 -0.492 -1.331 1.00 0.26 H new ATOM 0 HD21 ASN A 9 -6.930 0.674 -4.643 1.00 0.57 H new ATOM 0 HD22 ASN A 9 -6.232 -0.350 -3.384 1.00 0.57 H new ATOM 418 N CYS A 10 -7.487 -3.217 -2.372 1.00 0.21 N ATOM 419 CA CYS A 10 -7.016 -4.095 -3.430 1.00 0.28 C ATOM 420 C CYS A 10 -6.937 -5.562 -2.970 1.00 0.22 C ATOM 421 O CYS A 10 -6.504 -6.437 -3.718 1.00 0.31 O ATOM 422 CB CYS A 10 -5.676 -3.568 -3.942 1.00 0.52 C ATOM 423 SG CYS A 10 -4.278 -3.928 -2.870 1.00 0.76 S ATOM 0 H CYS A 10 -6.947 -3.238 -1.507 1.00 0.21 H new ATOM 0 HA CYS A 10 -7.733 -4.090 -4.251 1.00 0.28 H new ATOM 0 HB2 CYS A 10 -5.483 -3.995 -4.926 1.00 0.52 H new ATOM 0 HB3 CYS A 10 -5.750 -2.488 -4.072 1.00 0.52 H new ATOM 428 N GLN A 11 -7.404 -5.807 -1.737 1.00 0.18 N ATOM 429 CA GLN A 11 -7.479 -7.137 -1.121 1.00 0.21 C ATOM 430 C GLN A 11 -6.238 -8.022 -1.308 1.00 0.26 C ATOM 431 O GLN A 11 -6.333 -9.245 -1.204 1.00 0.34 O ATOM 432 CB GLN A 11 -8.727 -7.849 -1.622 1.00 0.24 C ATOM 433 CG GLN A 11 -10.015 -7.310 -1.018 1.00 0.74 C ATOM 434 CD GLN A 11 -11.255 -8.027 -1.519 1.00 1.26 C ATOM 435 OE1 GLN A 11 -12.328 -7.433 -1.628 1.00 1.77 O ATOM 436 NE2 GLN A 11 -11.126 -9.307 -1.827 1.00 1.90 N ATOM 0 H GLN A 11 -7.748 -5.066 -1.126 1.00 0.18 H new ATOM 0 HA GLN A 11 -7.527 -6.967 -0.045 1.00 0.21 H new ATOM 0 HB2 GLN A 11 -8.777 -7.757 -2.707 1.00 0.24 H new ATOM 0 HB3 GLN A 11 -8.645 -8.912 -1.395 1.00 0.24 H new ATOM 0 HG2 GLN A 11 -9.965 -7.399 0.067 1.00 0.74 H new ATOM 0 HG3 GLN A 11 -10.100 -6.248 -1.247 1.00 0.74 H new ATOM 0 HE21 GLN A 11 -10.222 -9.768 -1.725 1.00 1.90 H new ATOM 0 HE22 GLN A 11 -11.931 -9.833 -2.167 1.00 1.90 H new ATOM 445 N THR A 12 -5.086 -7.425 -1.580 1.00 0.25 N ATOM 446 CA THR A 12 -3.839 -8.149 -1.492 1.00 0.26 C ATOM 447 C THR A 12 -3.572 -8.480 -0.033 1.00 0.21 C ATOM 448 O THR A 12 -4.073 -7.803 0.872 1.00 0.19 O ATOM 449 CB THR A 12 -2.640 -7.348 -2.062 1.00 0.28 C ATOM 450 OG1 THR A 12 -1.532 -8.227 -2.282 1.00 0.33 O ATOM 451 CG2 THR A 12 -2.205 -6.235 -1.105 1.00 0.24 C ATOM 0 H THR A 12 -4.995 -6.449 -1.861 1.00 0.25 H new ATOM 0 HA THR A 12 -3.936 -9.053 -2.093 1.00 0.26 H new ATOM 0 HB THR A 12 -2.959 -6.896 -3.001 1.00 0.28 H new ATOM 0 HG1 THR A 12 -0.777 -7.717 -2.644 1.00 0.33 H new ATOM 0 HG21 THR A 12 -1.363 -5.694 -1.536 1.00 0.24 H new ATOM 0 HG22 THR A 12 -3.035 -5.547 -0.946 1.00 0.24 H new ATOM 0 HG23 THR A 12 -1.907 -6.671 -0.151 1.00 0.24 H new ATOM 459 N THR A 13 -2.816 -9.527 0.185 1.00 0.22 N ATOM 460 CA THR A 13 -2.427 -9.918 1.524 1.00 0.23 C ATOM 461 C THR A 13 -0.930 -10.111 1.592 1.00 0.26 C ATOM 462 O THR A 13 -0.368 -10.464 2.629 1.00 0.42 O ATOM 463 CB THR A 13 -3.151 -11.197 1.979 1.00 0.28 C ATOM 464 OG1 THR A 13 -3.018 -12.226 0.986 1.00 0.33 O ATOM 465 CG2 THR A 13 -4.620 -10.906 2.233 1.00 0.28 C ATOM 0 H THR A 13 -2.453 -10.131 -0.553 1.00 0.22 H new ATOM 0 HA THR A 13 -2.719 -9.117 2.203 1.00 0.23 H new ATOM 0 HB THR A 13 -2.694 -11.543 2.906 1.00 0.28 H new ATOM 0 HG1 THR A 13 -3.482 -13.035 1.289 1.00 0.33 H new ATOM 0 HG21 THR A 13 -5.121 -11.819 2.554 1.00 0.28 H new ATOM 0 HG22 THR A 13 -4.712 -10.148 3.011 1.00 0.28 H new ATOM 0 HG23 THR A 13 -5.083 -10.542 1.316 1.00 0.28 H new ATOM 473 N THR A 14 -0.290 -9.860 0.470 1.00 0.22 N ATOM 474 CA THR A 14 1.138 -9.928 0.379 1.00 0.26 C ATOM 475 C THR A 14 1.730 -8.558 0.617 1.00 0.23 C ATOM 476 O THR A 14 2.282 -7.936 -0.289 1.00 0.36 O ATOM 477 CB THR A 14 1.566 -10.425 -1.005 1.00 0.38 C ATOM 478 OG1 THR A 14 0.422 -10.910 -1.725 1.00 1.26 O ATOM 479 CG2 THR A 14 2.583 -11.527 -0.870 1.00 1.04 C ATOM 0 H THR A 14 -0.753 -9.603 -0.402 1.00 0.22 H new ATOM 0 HA THR A 14 1.499 -10.625 1.135 1.00 0.26 H new ATOM 0 HB THR A 14 2.012 -9.595 -1.553 1.00 0.38 H new ATOM 0 HG1 THR A 14 0.702 -11.225 -2.610 1.00 1.26 H new ATOM 0 HG21 THR A 14 2.879 -11.872 -1.861 1.00 1.04 H new ATOM 0 HG22 THR A 14 3.458 -11.152 -0.340 1.00 1.04 H new ATOM 0 HG23 THR A 14 2.149 -12.356 -0.312 1.00 1.04 H new ATOM 487 N THR A 15 1.607 -8.079 1.835 1.00 0.17 N ATOM 488 CA THR A 15 2.069 -6.742 2.141 1.00 0.17 C ATOM 489 C THR A 15 2.682 -6.685 3.535 1.00 0.20 C ATOM 490 O THR A 15 2.127 -7.223 4.491 1.00 0.26 O ATOM 491 CB THR A 15 0.949 -5.682 2.023 1.00 0.20 C ATOM 492 OG1 THR A 15 0.129 -5.964 0.886 1.00 0.40 O ATOM 493 CG2 THR A 15 1.569 -4.311 1.855 1.00 0.29 C ATOM 0 H THR A 15 1.197 -8.586 2.620 1.00 0.17 H new ATOM 0 HA THR A 15 2.829 -6.504 1.397 1.00 0.17 H new ATOM 0 HB THR A 15 0.339 -5.707 2.926 1.00 0.20 H new ATOM 0 HG1 THR A 15 0.573 -5.641 0.074 1.00 0.40 H new ATOM 0 HG21 THR A 15 0.781 -3.563 1.772 1.00 0.29 H new ATOM 0 HG22 THR A 15 2.193 -4.086 2.720 1.00 0.29 H new ATOM 0 HG23 THR A 15 2.180 -4.296 0.953 1.00 0.29 H new ATOM 501 N THR A 16 3.839 -6.051 3.635 1.00 0.25 N ATOM 502 CA THR A 16 4.524 -5.896 4.910 1.00 0.31 C ATOM 503 C THR A 16 4.198 -4.533 5.533 1.00 0.25 C ATOM 504 O THR A 16 4.698 -4.187 6.603 1.00 0.30 O ATOM 505 CB THR A 16 6.049 -6.013 4.711 1.00 0.43 C ATOM 506 OG1 THR A 16 6.327 -7.011 3.718 1.00 0.51 O ATOM 507 CG2 THR A 16 6.746 -6.388 6.012 1.00 0.54 C ATOM 0 H THR A 16 4.327 -5.632 2.843 1.00 0.25 H new ATOM 0 HA THR A 16 4.182 -6.686 5.579 1.00 0.31 H new ATOM 0 HB THR A 16 6.427 -5.044 4.385 1.00 0.43 H new ATOM 0 HG1 THR A 16 7.296 -7.084 3.590 1.00 0.51 H new ATOM 0 HG21 THR A 16 7.820 -6.463 5.841 1.00 0.54 H new ATOM 0 HG22 THR A 16 6.551 -5.622 6.763 1.00 0.54 H new ATOM 0 HG23 THR A 16 6.367 -7.347 6.365 1.00 0.54 H new ATOM 515 N LEU A 17 3.353 -3.761 4.857 1.00 0.21 N ATOM 516 CA LEU A 17 3.076 -2.387 5.292 1.00 0.21 C ATOM 517 C LEU A 17 1.581 -2.110 5.326 1.00 0.18 C ATOM 518 O LEU A 17 1.012 -1.634 4.343 1.00 0.29 O ATOM 519 CB LEU A 17 3.748 -1.387 4.351 1.00 0.35 C ATOM 520 CG LEU A 17 3.942 0.008 4.933 1.00 0.45 C ATOM 521 CD1 LEU A 17 4.819 -0.066 6.168 1.00 0.79 C ATOM 522 CD2 LEU A 17 4.567 0.934 3.910 1.00 0.76 C ATOM 0 H LEU A 17 2.852 -4.053 4.018 1.00 0.21 H new ATOM 0 HA LEU A 17 3.478 -2.274 6.299 1.00 0.21 H new ATOM 0 HB2 LEU A 17 4.721 -1.782 4.059 1.00 0.35 H new ATOM 0 HB3 LEU A 17 3.151 -1.307 3.443 1.00 0.35 H new ATOM 0 HG LEU A 17 2.966 0.407 5.208 1.00 0.45 H new ATOM 0 HD11 LEU A 17 4.954 0.934 6.579 1.00 0.79 H new ATOM 0 HD12 LEU A 17 4.344 -0.704 6.914 1.00 0.79 H new ATOM 0 HD13 LEU A 17 5.790 -0.482 5.900 1.00 0.79 H new ATOM 0 HD21 LEU A 17 4.696 1.924 4.347 1.00 0.76 H new ATOM 0 HD22 LEU A 17 5.538 0.541 3.608 1.00 0.76 H new ATOM 0 HD23 LEU A 17 3.917 1.004 3.038 1.00 0.76 H new ATOM 534 N TRP A 18 0.949 -2.399 6.446 1.00 0.13 N ATOM 535 CA TRP A 18 -0.464 -2.148 6.593 1.00 0.11 C ATOM 536 C TRP A 18 -0.731 -0.802 7.266 1.00 0.12 C ATOM 537 O TRP A 18 -0.733 -0.681 8.494 1.00 0.18 O ATOM 538 CB TRP A 18 -1.125 -3.290 7.356 1.00 0.11 C ATOM 539 CG TRP A 18 -0.973 -4.607 6.662 1.00 0.10 C ATOM 540 CD1 TRP A 18 -0.038 -5.557 6.914 1.00 0.12 C ATOM 541 CD2 TRP A 18 -1.771 -5.116 5.581 1.00 0.08 C ATOM 542 NE1 TRP A 18 -0.218 -6.620 6.092 1.00 0.12 N ATOM 543 CE2 TRP A 18 -1.268 -6.380 5.261 1.00 0.09 C ATOM 544 CE3 TRP A 18 -2.862 -4.632 4.863 1.00 0.09 C ATOM 545 CZ2 TRP A 18 -1.810 -7.173 4.264 1.00 0.09 C ATOM 546 CZ3 TRP A 18 -3.412 -5.414 3.865 1.00 0.09 C ATOM 547 CH2 TRP A 18 -2.893 -6.671 3.573 1.00 0.08 C ATOM 0 H TRP A 18 1.396 -2.808 7.267 1.00 0.13 H new ATOM 0 HA TRP A 18 -0.904 -2.098 5.597 1.00 0.11 H new ATOM 0 HB2 TRP A 18 -0.690 -3.356 8.353 1.00 0.11 H new ATOM 0 HB3 TRP A 18 -2.185 -3.071 7.485 1.00 0.11 H new ATOM 0 HD1 TRP A 18 0.738 -5.478 7.661 1.00 0.12 H new ATOM 0 HE1 TRP A 18 0.347 -7.469 6.096 1.00 0.12 H new ATOM 0 HE3 TRP A 18 -3.273 -3.658 5.083 1.00 0.09 H new ATOM 0 HZ2 TRP A 18 -1.401 -8.146 4.036 1.00 0.09 H new ATOM 0 HZ3 TRP A 18 -4.257 -5.044 3.304 1.00 0.09 H new ATOM 0 HH2 TRP A 18 -3.346 -7.264 2.792 1.00 0.08 H new ATOM 558 N ARG A 19 -0.971 0.200 6.429 1.00 0.12 N ATOM 559 CA ARG A 19 -1.341 1.554 6.869 1.00 0.13 C ATOM 560 C ARG A 19 -2.858 1.638 7.041 1.00 0.13 C ATOM 561 O ARG A 19 -3.570 0.694 6.707 1.00 0.15 O ATOM 562 CB ARG A 19 -0.866 2.579 5.816 1.00 0.19 C ATOM 563 CG ARG A 19 -0.195 1.941 4.604 1.00 0.28 C ATOM 564 CD ARG A 19 0.913 2.812 4.007 1.00 0.29 C ATOM 565 NE ARG A 19 2.179 2.650 4.728 1.00 0.61 N ATOM 566 CZ ARG A 19 2.536 3.325 5.818 1.00 1.00 C ATOM 567 NH1 ARG A 19 1.742 4.240 6.325 1.00 2.03 N ATOM 568 NH2 ARG A 19 3.709 3.095 6.396 1.00 1.09 N ATOM 0 H ARG A 19 -0.916 0.102 5.415 1.00 0.12 H new ATOM 0 HA ARG A 19 -0.865 1.776 7.824 1.00 0.13 H new ATOM 0 HB2 ARG A 19 -1.721 3.166 5.481 1.00 0.19 H new ATOM 0 HB3 ARG A 19 -0.168 3.272 6.285 1.00 0.19 H new ATOM 0 HG2 ARG A 19 0.224 0.977 4.893 1.00 0.28 H new ATOM 0 HG3 ARG A 19 -0.947 1.745 3.840 1.00 0.28 H new ATOM 0 HD2 ARG A 19 1.056 2.551 2.958 1.00 0.29 H new ATOM 0 HD3 ARG A 19 0.609 3.858 4.037 1.00 0.29 H new ATOM 0 HE ARG A 19 2.840 1.964 4.365 1.00 0.61 H new ATOM 0 HH11 ARG A 19 0.844 4.438 5.883 1.00 2.03 H new ATOM 0 HH12 ARG A 19 2.023 4.753 7.161 1.00 2.03 H new ATOM 0 HH21 ARG A 19 4.342 2.398 6.005 1.00 1.09 H new ATOM 0 HH22 ARG A 19 3.977 3.616 7.231 1.00 1.09 H new ATOM 582 N ARG A 20 -3.350 2.739 7.599 1.00 0.15 N ATOM 583 CA ARG A 20 -4.779 2.968 7.681 1.00 0.17 C ATOM 584 C ARG A 20 -5.234 3.943 6.610 1.00 0.19 C ATOM 585 O ARG A 20 -4.479 4.825 6.197 1.00 0.25 O ATOM 586 CB ARG A 20 -5.169 3.530 9.047 1.00 0.28 C ATOM 587 CG ARG A 20 -5.105 2.539 10.186 1.00 1.13 C ATOM 588 CD ARG A 20 -5.320 1.104 9.737 1.00 1.98 C ATOM 589 NE ARG A 20 -5.450 0.204 10.880 1.00 2.63 N ATOM 590 CZ ARG A 20 -4.569 -0.738 11.211 1.00 3.24 C ATOM 591 NH1 ARG A 20 -3.480 -0.934 10.479 1.00 3.59 N ATOM 592 NH2 ARG A 20 -4.780 -1.489 12.285 1.00 3.90 N ATOM 0 H ARG A 20 -2.778 3.483 7.999 1.00 0.15 H new ATOM 0 HA ARG A 20 -5.266 2.004 7.532 1.00 0.17 H new ATOM 0 HB2 ARG A 20 -4.514 4.370 9.278 1.00 0.28 H new ATOM 0 HB3 ARG A 20 -6.183 3.925 8.985 1.00 0.28 H new ATOM 0 HG2 ARG A 20 -4.135 2.619 10.676 1.00 1.13 H new ATOM 0 HG3 ARG A 20 -5.859 2.798 10.929 1.00 1.13 H new ATOM 0 HD2 ARG A 20 -6.217 1.044 9.120 1.00 1.98 H new ATOM 0 HD3 ARG A 20 -4.484 0.786 9.115 1.00 1.98 H new ATOM 0 HE ARG A 20 -6.277 0.305 11.468 1.00 2.63 H new ATOM 0 HH11 ARG A 20 -3.311 -0.360 9.653 1.00 3.59 H new ATOM 0 HH12 ARG A 20 -2.812 -1.659 10.742 1.00 3.59 H new ATOM 0 HH21 ARG A 20 -5.614 -1.343 12.853 1.00 3.90 H new ATOM 0 HH22 ARG A 20 -4.108 -2.212 12.542 1.00 3.90 H new ATOM 606 N ASN A 21 -6.466 3.764 6.156 1.00 0.18 N ATOM 607 CA ASN A 21 -7.102 4.745 5.285 1.00 0.18 C ATOM 608 C ASN A 21 -7.917 5.714 6.153 1.00 0.17 C ATOM 609 O ASN A 21 -7.865 5.594 7.377 1.00 0.17 O ATOM 610 CB ASN A 21 -7.987 4.096 4.196 1.00 0.19 C ATOM 611 CG ASN A 21 -9.305 3.509 4.703 1.00 0.17 C ATOM 612 OD1 ASN A 21 -9.757 3.783 5.818 1.00 0.18 O ATOM 613 ND2 ASN A 21 -9.960 2.719 3.867 1.00 0.20 N ATOM 0 H ASN A 21 -7.044 2.953 6.374 1.00 0.18 H new ATOM 0 HA ASN A 21 -6.322 5.285 4.749 1.00 0.18 H new ATOM 0 HB2 ASN A 21 -8.208 4.844 3.435 1.00 0.19 H new ATOM 0 HB3 ASN A 21 -7.417 3.305 3.709 1.00 0.19 H new ATOM 0 HD21 ASN A 21 -10.859 2.322 4.139 1.00 0.20 H new ATOM 0 HD22 ASN A 21 -9.566 2.507 2.951 1.00 0.20 H new ATOM 620 N ALA A 22 -8.729 6.599 5.544 1.00 0.19 N ATOM 621 CA ALA A 22 -9.369 7.705 6.271 1.00 0.24 C ATOM 622 C ALA A 22 -10.170 7.255 7.493 1.00 0.26 C ATOM 623 O ALA A 22 -10.285 7.996 8.471 1.00 0.36 O ATOM 624 CB ALA A 22 -10.279 8.485 5.341 1.00 0.29 C ATOM 0 H ALA A 22 -8.956 6.567 4.550 1.00 0.19 H new ATOM 0 HA ALA A 22 -8.556 8.334 6.635 1.00 0.24 H new ATOM 0 HB1 ALA A 22 -10.747 9.301 5.891 1.00 0.29 H new ATOM 0 HB2 ALA A 22 -9.694 8.891 4.516 1.00 0.29 H new ATOM 0 HB3 ALA A 22 -11.050 7.823 4.947 1.00 0.29 H new ATOM 630 N ASN A 23 -10.696 6.040 7.462 1.00 0.25 N ATOM 631 CA ASN A 23 -11.592 5.585 8.504 1.00 0.33 C ATOM 632 C ASN A 23 -10.870 4.544 9.332 1.00 0.24 C ATOM 633 O ASN A 23 -11.475 3.754 10.056 1.00 0.35 O ATOM 634 CB ASN A 23 -12.873 5.014 7.905 1.00 0.51 C ATOM 635 CG ASN A 23 -14.083 5.221 8.798 1.00 0.85 C ATOM 636 OD1 ASN A 23 -13.980 5.184 10.022 1.00 1.16 O ATOM 637 ND2 ASN A 23 -15.237 5.459 8.194 1.00 1.61 N ATOM 0 H ASN A 23 -10.516 5.356 6.727 1.00 0.25 H new ATOM 0 HA ASN A 23 -11.879 6.424 9.138 1.00 0.33 H new ATOM 0 HB2 ASN A 23 -13.057 5.482 6.938 1.00 0.51 H new ATOM 0 HB3 ASN A 23 -12.740 3.948 7.723 1.00 0.51 H new ATOM 0 HD21 ASN A 23 -16.079 5.619 8.747 1.00 1.61 H new ATOM 0 HD22 ASN A 23 -15.284 5.482 7.175 1.00 1.61 H new ATOM 644 N GLY A 24 -9.555 4.541 9.184 1.00 0.17 N ATOM 645 CA GLY A 24 -8.718 3.668 9.963 1.00 0.20 C ATOM 646 C GLY A 24 -8.748 2.243 9.467 1.00 0.18 C ATOM 647 O GLY A 24 -8.563 1.306 10.241 1.00 0.22 O ATOM 0 H GLY A 24 -9.051 5.138 8.528 1.00 0.17 H new ATOM 0 HA2 GLY A 24 -7.692 4.036 9.938 1.00 0.20 H new ATOM 0 HA3 GLY A 24 -9.041 3.694 11.004 1.00 0.20 H new ATOM 651 N ASP A 25 -8.991 2.068 8.179 1.00 0.15 N ATOM 652 CA ASP A 25 -9.053 0.726 7.620 1.00 0.16 C ATOM 653 C ASP A 25 -7.703 0.332 7.059 1.00 0.16 C ATOM 654 O ASP A 25 -6.971 1.157 6.521 1.00 0.26 O ATOM 655 CB ASP A 25 -10.132 0.572 6.548 1.00 0.20 C ATOM 656 CG ASP A 25 -11.051 -0.607 6.809 1.00 0.63 C ATOM 657 OD1 ASP A 25 -11.070 -1.557 5.998 1.00 1.27 O ATOM 658 OD2 ASP A 25 -11.772 -0.582 7.826 1.00 0.71 O ATOM 0 H ASP A 25 -9.146 2.822 7.510 1.00 0.15 H new ATOM 0 HA ASP A 25 -9.325 0.058 8.438 1.00 0.16 H new ATOM 0 HB2 ASP A 25 -10.724 1.486 6.500 1.00 0.20 H new ATOM 0 HB3 ASP A 25 -9.657 0.449 5.575 1.00 0.20 H new ATOM 663 N PRO A 26 -7.372 -0.936 7.209 1.00 0.11 N ATOM 664 CA PRO A 26 -6.094 -1.506 6.778 1.00 0.10 C ATOM 665 C PRO A 26 -5.881 -1.434 5.266 1.00 0.08 C ATOM 666 O PRO A 26 -6.743 -1.836 4.491 1.00 0.11 O ATOM 667 CB PRO A 26 -6.182 -2.974 7.229 1.00 0.14 C ATOM 668 CG PRO A 26 -7.636 -3.235 7.443 1.00 0.21 C ATOM 669 CD PRO A 26 -8.241 -1.915 7.843 1.00 0.21 C ATOM 0 HA PRO A 26 -5.255 -0.956 7.204 1.00 0.10 H new ATOM 0 HB2 PRO A 26 -5.770 -3.643 6.473 1.00 0.14 H new ATOM 0 HB3 PRO A 26 -5.614 -3.139 8.145 1.00 0.14 H new ATOM 0 HG2 PRO A 26 -8.101 -3.618 6.535 1.00 0.21 H new ATOM 0 HG3 PRO A 26 -7.788 -3.985 8.219 1.00 0.21 H new ATOM 0 HD2 PRO A 26 -9.270 -1.823 7.495 1.00 0.21 H new ATOM 0 HD3 PRO A 26 -8.259 -1.794 8.926 1.00 0.21 H new ATOM 677 N VAL A 27 -4.714 -0.960 4.856 1.00 0.07 N ATOM 678 CA VAL A 27 -4.376 -0.881 3.430 1.00 0.08 C ATOM 679 C VAL A 27 -2.907 -1.226 3.242 1.00 0.10 C ATOM 680 O VAL A 27 -2.080 -0.963 4.117 1.00 0.11 O ATOM 681 CB VAL A 27 -4.645 0.501 2.743 1.00 0.10 C ATOM 682 CG1 VAL A 27 -6.079 0.642 2.260 1.00 0.12 C ATOM 683 CG2 VAL A 27 -4.327 1.681 3.638 1.00 0.12 C ATOM 0 H VAL A 27 -3.983 -0.624 5.483 1.00 0.07 H new ATOM 0 HA VAL A 27 -5.044 -1.593 2.945 1.00 0.08 H new ATOM 0 HB VAL A 27 -3.969 0.513 1.888 1.00 0.10 H new ATOM 0 HG11 VAL A 27 -6.211 1.618 1.792 1.00 0.12 H new ATOM 0 HG12 VAL A 27 -6.297 -0.141 1.534 1.00 0.12 H new ATOM 0 HG13 VAL A 27 -6.759 0.551 3.107 1.00 0.12 H new ATOM 0 HG21 VAL A 27 -4.534 2.609 3.104 1.00 0.12 H new ATOM 0 HG22 VAL A 27 -4.943 1.633 4.536 1.00 0.12 H new ATOM 0 HG23 VAL A 27 -3.274 1.651 3.919 1.00 0.12 H new ATOM 693 N CYS A 28 -2.595 -1.814 2.101 1.00 0.12 N ATOM 694 CA CYS A 28 -1.240 -2.188 1.754 1.00 0.15 C ATOM 695 C CYS A 28 -0.437 -0.898 1.474 1.00 0.13 C ATOM 696 O CYS A 28 -1.044 0.177 1.395 1.00 0.15 O ATOM 697 CB CYS A 28 -1.354 -3.091 0.525 1.00 0.19 C ATOM 698 SG CYS A 28 -1.513 -2.186 -1.009 1.00 0.22 S ATOM 0 H CYS A 28 -3.283 -2.046 1.384 1.00 0.12 H new ATOM 0 HA CYS A 28 -0.718 -2.723 2.547 1.00 0.15 H new ATOM 0 HB2 CYS A 28 -0.474 -3.731 0.471 1.00 0.19 H new ATOM 0 HB3 CYS A 28 -2.217 -3.746 0.643 1.00 0.19 H new ATOM 703 N ASN A 29 0.897 -0.976 1.317 1.00 0.13 N ATOM 704 CA ASN A 29 1.716 0.226 1.160 1.00 0.17 C ATOM 705 C ASN A 29 1.181 1.134 0.064 1.00 0.15 C ATOM 706 O ASN A 29 0.923 2.288 0.334 1.00 0.16 O ATOM 707 CB ASN A 29 3.208 -0.140 0.926 1.00 0.27 C ATOM 708 CG ASN A 29 4.035 0.939 0.216 1.00 0.70 C ATOM 709 OD1 ASN A 29 4.963 0.621 -0.520 1.00 1.52 O ATOM 710 ND2 ASN A 29 3.729 2.219 0.429 1.00 0.40 N ATOM 0 H ASN A 29 1.420 -1.851 1.296 1.00 0.13 H new ATOM 0 HA ASN A 29 1.657 0.787 2.092 1.00 0.17 H new ATOM 0 HB2 ASN A 29 3.669 -0.355 1.890 1.00 0.27 H new ATOM 0 HB3 ASN A 29 3.254 -1.057 0.339 1.00 0.27 H new ATOM 0 HD21 ASN A 29 4.271 2.955 -0.024 1.00 0.40 H new ATOM 0 HD22 ASN A 29 2.953 2.462 1.045 1.00 0.40 H new ATOM 717 N ALA A 30 1.004 0.627 -1.143 1.00 0.17 N ATOM 718 CA ALA A 30 0.535 1.465 -2.256 1.00 0.18 C ATOM 719 C ALA A 30 -0.735 2.239 -1.917 1.00 0.20 C ATOM 720 O ALA A 30 -0.784 3.446 -2.093 1.00 0.19 O ATOM 721 CB ALA A 30 0.308 0.661 -3.512 1.00 0.21 C ATOM 0 H ALA A 30 1.173 -0.349 -1.386 1.00 0.17 H new ATOM 0 HA ALA A 30 1.336 2.183 -2.433 1.00 0.18 H new ATOM 0 HB1 ALA A 30 -0.038 1.320 -4.308 1.00 0.21 H new ATOM 0 HB2 ALA A 30 1.242 0.186 -3.814 1.00 0.21 H new ATOM 0 HB3 ALA A 30 -0.444 -0.105 -3.323 1.00 0.21 H new ATOM 727 N CYS A 31 -1.746 1.550 -1.416 1.00 0.26 N ATOM 728 CA CYS A 31 -3.038 2.177 -1.149 1.00 0.30 C ATOM 729 C CYS A 31 -2.955 3.170 0.015 1.00 0.32 C ATOM 730 O CYS A 31 -3.580 4.229 -0.025 1.00 0.41 O ATOM 731 CB CYS A 31 -4.083 1.100 -0.912 1.00 0.34 C ATOM 732 SG CYS A 31 -4.303 -0.058 -2.303 1.00 0.39 S ATOM 0 H CYS A 31 -1.702 0.558 -1.185 1.00 0.26 H new ATOM 0 HA CYS A 31 -3.336 2.760 -2.020 1.00 0.30 H new ATOM 0 HB2 CYS A 31 -3.807 0.532 -0.023 1.00 0.34 H new ATOM 0 HB3 CYS A 31 -5.039 1.579 -0.700 1.00 0.34 H new ATOM 737 N GLY A 32 -2.166 2.843 1.032 1.00 0.28 N ATOM 738 CA GLY A 32 -1.932 3.793 2.122 1.00 0.29 C ATOM 739 C GLY A 32 -1.015 4.919 1.703 1.00 0.30 C ATOM 740 O GLY A 32 -1.214 6.061 2.090 1.00 0.46 O ATOM 0 H GLY A 32 -1.685 1.949 1.128 1.00 0.28 H new ATOM 0 HA2 GLY A 32 -2.885 4.206 2.454 1.00 0.29 H new ATOM 0 HA3 GLY A 32 -1.497 3.269 2.973 1.00 0.29 H new ATOM 744 N LEU A 33 -0.016 4.598 0.902 1.00 0.19 N ATOM 745 CA LEU A 33 0.966 5.577 0.466 1.00 0.16 C ATOM 746 C LEU A 33 0.314 6.535 -0.489 1.00 0.14 C ATOM 747 O LEU A 33 0.517 7.744 -0.407 1.00 0.15 O ATOM 748 CB LEU A 33 2.157 4.893 -0.213 1.00 0.16 C ATOM 749 CG LEU A 33 3.298 5.792 -0.664 1.00 0.19 C ATOM 750 CD1 LEU A 33 4.645 5.195 -0.296 1.00 0.48 C ATOM 751 CD2 LEU A 33 3.228 5.972 -2.162 1.00 0.54 C ATOM 0 H LEU A 33 0.138 3.658 0.537 1.00 0.19 H new ATOM 0 HA LEU A 33 1.338 6.116 1.337 1.00 0.16 H new ATOM 0 HB2 LEU A 33 2.561 4.151 0.476 1.00 0.16 H new ATOM 0 HB3 LEU A 33 1.787 4.351 -1.083 1.00 0.16 H new ATOM 0 HG LEU A 33 3.197 6.754 -0.161 1.00 0.19 H new ATOM 0 HD11 LEU A 33 5.441 5.860 -0.631 1.00 0.48 H new ATOM 0 HD12 LEU A 33 4.705 5.073 0.785 1.00 0.48 H new ATOM 0 HD13 LEU A 33 4.756 4.224 -0.778 1.00 0.48 H new ATOM 0 HD21 LEU A 33 4.044 6.616 -2.490 1.00 0.54 H new ATOM 0 HD22 LEU A 33 3.314 5.001 -2.650 1.00 0.54 H new ATOM 0 HD23 LEU A 33 2.275 6.429 -2.429 1.00 0.54 H new ATOM 763 N TYR A 34 -0.505 5.995 -1.377 1.00 0.14 N ATOM 764 CA TYR A 34 -1.074 6.787 -2.410 1.00 0.16 C ATOM 765 C TYR A 34 -2.076 7.775 -1.849 1.00 0.13 C ATOM 766 O TYR A 34 -2.106 8.939 -2.250 1.00 0.15 O ATOM 767 CB TYR A 34 -1.733 5.884 -3.435 1.00 0.24 C ATOM 768 CG TYR A 34 -2.334 6.585 -4.610 1.00 0.25 C ATOM 769 CD1 TYR A 34 -3.646 7.022 -4.587 1.00 0.26 C ATOM 770 CD2 TYR A 34 -1.598 6.744 -5.766 1.00 0.30 C ATOM 771 CE1 TYR A 34 -4.212 7.606 -5.707 1.00 0.32 C ATOM 772 CE2 TYR A 34 -2.145 7.334 -6.878 1.00 0.35 C ATOM 773 CZ TYR A 34 -3.454 7.759 -6.849 1.00 0.36 C ATOM 774 OH TYR A 34 -4.009 8.330 -7.969 1.00 0.44 O ATOM 0 H TYR A 34 -0.779 5.013 -1.388 1.00 0.14 H new ATOM 0 HA TYR A 34 -0.280 7.358 -2.891 1.00 0.16 H new ATOM 0 HB2 TYR A 34 -0.992 5.172 -3.798 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -2.513 5.307 -2.939 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -4.233 6.907 -3.688 1.00 0.26 H new ATOM 0 HD2 TYR A 34 -0.575 6.399 -5.796 1.00 0.30 H new ATOM 0 HE1 TYR A 34 -5.239 7.939 -5.687 1.00 0.32 H new ATOM 0 HE2 TYR A 34 -1.552 7.464 -7.771 1.00 0.35 H new ATOM 0 HH TYR A 34 -3.340 8.364 -8.684 1.00 0.44 H new ATOM 784 N TYR A 35 -2.899 7.304 -0.929 1.00 0.14 N ATOM 785 CA TYR A 35 -3.859 8.170 -0.271 1.00 0.17 C ATOM 786 C TYR A 35 -3.136 9.262 0.493 1.00 0.16 C ATOM 787 O TYR A 35 -3.651 10.364 0.656 1.00 0.20 O ATOM 788 CB TYR A 35 -4.758 7.368 0.668 1.00 0.24 C ATOM 789 CG TYR A 35 -5.910 8.154 1.232 1.00 0.30 C ATOM 790 CD1 TYR A 35 -7.189 7.965 0.763 1.00 0.35 C ATOM 791 CD2 TYR A 35 -5.712 9.093 2.224 1.00 0.50 C ATOM 792 CE1 TYR A 35 -8.246 8.681 1.258 1.00 0.42 C ATOM 793 CE2 TYR A 35 -6.755 9.816 2.731 1.00 0.57 C ATOM 794 CZ TYR A 35 -8.029 9.612 2.248 1.00 0.45 C ATOM 795 OH TYR A 35 -9.083 10.341 2.752 1.00 0.57 O ATOM 0 H TYR A 35 -2.922 6.331 -0.622 1.00 0.14 H new ATOM 0 HA TYR A 35 -4.489 8.630 -1.032 1.00 0.17 H new ATOM 0 HB2 TYR A 35 -5.149 6.505 0.130 1.00 0.24 H new ATOM 0 HB3 TYR A 35 -4.156 6.984 1.491 1.00 0.24 H new ATOM 0 HD1 TYR A 35 -7.364 7.235 -0.014 1.00 0.35 H new ATOM 0 HD2 TYR A 35 -4.716 9.259 2.606 1.00 0.50 H new ATOM 0 HE1 TYR A 35 -9.242 8.516 0.875 1.00 0.42 H new ATOM 0 HE2 TYR A 35 -6.581 10.545 3.508 1.00 0.57 H new ATOM 0 HH TYR A 35 -8.756 10.953 3.444 1.00 0.57 H new ATOM 805 N LYS A 36 -1.927 8.980 0.925 1.00 0.15 N ATOM 806 CA LYS A 36 -1.184 9.950 1.686 1.00 0.21 C ATOM 807 C LYS A 36 -0.741 11.078 0.798 1.00 0.22 C ATOM 808 O LYS A 36 -0.683 12.237 1.206 1.00 0.32 O ATOM 809 CB LYS A 36 0.012 9.309 2.343 1.00 0.28 C ATOM 810 CG LYS A 36 -0.247 8.935 3.789 1.00 0.38 C ATOM 811 CD LYS A 36 -1.542 8.169 4.007 1.00 0.50 C ATOM 812 CE LYS A 36 -2.697 9.063 4.444 1.00 0.84 C ATOM 813 NZ LYS A 36 -2.352 9.920 5.611 1.00 1.23 N ATOM 0 H LYS A 36 -1.445 8.096 0.763 1.00 0.15 H new ATOM 0 HA LYS A 36 -1.835 10.347 2.465 1.00 0.21 H new ATOM 0 HB2 LYS A 36 0.293 8.416 1.785 1.00 0.28 H new ATOM 0 HB3 LYS A 36 0.859 9.994 2.295 1.00 0.28 H new ATOM 0 HG2 LYS A 36 0.585 8.332 4.152 1.00 0.38 H new ATOM 0 HG3 LYS A 36 -0.269 9.844 4.390 1.00 0.38 H new ATOM 0 HD2 LYS A 36 -1.815 7.658 3.084 1.00 0.50 H new ATOM 0 HD3 LYS A 36 -1.380 7.400 4.762 1.00 0.50 H new ATOM 0 HE2 LYS A 36 -2.996 9.697 3.609 1.00 0.84 H new ATOM 0 HE3 LYS A 36 -3.556 8.442 4.696 1.00 0.84 H new ATOM 0 HZ1 LYS A 36 -3.221 10.325 6.013 1.00 1.23 H new ATOM 0 HZ2 LYS A 36 -1.871 9.346 6.333 1.00 1.23 H new ATOM 0 HZ3 LYS A 36 -1.722 10.688 5.303 1.00 1.23 H new ATOM 827 N LEU A 37 -0.433 10.721 -0.424 1.00 0.20 N ATOM 828 CA LEU A 37 -0.028 11.690 -1.403 1.00 0.24 C ATOM 829 C LEU A 37 -1.243 12.441 -1.941 1.00 0.25 C ATOM 830 O LEU A 37 -1.215 13.662 -2.101 1.00 0.31 O ATOM 831 CB LEU A 37 0.684 11.009 -2.578 1.00 0.29 C ATOM 832 CG LEU A 37 1.589 9.841 -2.205 1.00 0.49 C ATOM 833 CD1 LEU A 37 1.900 8.987 -3.421 1.00 1.19 C ATOM 834 CD2 LEU A 37 2.882 10.328 -1.575 1.00 0.67 C ATOM 0 H LEU A 37 -0.456 9.759 -0.763 1.00 0.20 H new ATOM 0 HA LEU A 37 0.655 12.387 -0.917 1.00 0.24 H new ATOM 0 HB2 LEU A 37 -0.070 10.653 -3.280 1.00 0.29 H new ATOM 0 HB3 LEU A 37 1.280 11.756 -3.102 1.00 0.29 H new ATOM 0 HG LEU A 37 1.054 9.234 -1.475 1.00 0.49 H new ATOM 0 HD11 LEU A 37 2.547 8.160 -3.129 1.00 1.19 H new ATOM 0 HD12 LEU A 37 0.972 8.593 -3.836 1.00 1.19 H new ATOM 0 HD13 LEU A 37 2.404 9.594 -4.173 1.00 1.19 H new ATOM 0 HD21 LEU A 37 3.507 9.472 -1.320 1.00 0.67 H new ATOM 0 HD22 LEU A 37 3.413 10.967 -2.281 1.00 0.67 H new ATOM 0 HD23 LEU A 37 2.656 10.895 -0.672 1.00 0.67 H new ATOM 846 N HIS A 38 -2.313 11.691 -2.217 1.00 0.23 N ATOM 847 CA HIS A 38 -3.379 12.174 -3.091 1.00 0.28 C ATOM 848 C HIS A 38 -4.767 12.205 -2.446 1.00 0.30 C ATOM 849 O HIS A 38 -5.736 12.575 -3.108 1.00 0.37 O ATOM 850 CB HIS A 38 -3.406 11.312 -4.351 1.00 0.29 C ATOM 851 CG HIS A 38 -2.191 11.501 -5.209 1.00 0.35 C ATOM 852 ND1 HIS A 38 -1.804 10.622 -6.196 1.00 1.00 N ATOM 853 CD2 HIS A 38 -1.251 12.474 -5.191 1.00 1.02 C ATOM 854 CE1 HIS A 38 -0.676 11.045 -6.739 1.00 0.77 C ATOM 855 NE2 HIS A 38 -0.323 12.168 -6.149 1.00 0.69 N ATOM 0 H HIS A 38 -2.462 10.752 -1.849 1.00 0.23 H new ATOM 0 HA HIS A 38 -3.148 13.214 -3.322 1.00 0.28 H new ATOM 0 HB2 HIS A 38 -3.485 10.263 -4.067 1.00 0.29 H new ATOM 0 HB3 HIS A 38 -4.297 11.553 -4.932 1.00 0.29 H new ATOM 0 HD1 HIS A 38 -2.309 9.777 -6.465 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -1.236 13.335 -4.539 1.00 1.02 H new ATOM 0 HE1 HIS A 38 -0.135 10.552 -7.533 1.00 0.77 H new ATOM 864 N ASN A 39 -4.866 11.811 -1.178 1.00 0.26 N ATOM 865 CA ASN A 39 -6.141 11.861 -0.433 1.00 0.30 C ATOM 866 C ASN A 39 -7.202 10.953 -1.047 1.00 0.32 C ATOM 867 O ASN A 39 -8.398 11.184 -0.881 1.00 0.40 O ATOM 868 CB ASN A 39 -6.659 13.287 -0.413 1.00 0.39 C ATOM 869 CG ASN A 39 -7.248 13.722 0.925 1.00 1.01 C ATOM 870 OD1 ASN A 39 -7.223 14.907 1.259 1.00 1.57 O ATOM 871 ND2 ASN A 39 -7.776 12.790 1.708 1.00 1.87 N ATOM 0 H ASN A 39 -4.081 11.451 -0.636 1.00 0.26 H new ATOM 0 HA ASN A 39 -5.944 11.509 0.580 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -5.843 13.961 -0.674 1.00 0.39 H new ATOM 0 HB3 ASN A 39 -7.421 13.395 -1.185 1.00 0.39 H new ATOM 0 HD21 ASN A 39 -8.174 13.048 2.611 1.00 1.87 H new ATOM 0 HD22 ASN A 39 -7.784 11.815 1.407 1.00 1.87 H new ATOM 878 N VAL A 40 -6.757 9.907 -1.722 1.00 0.30 N ATOM 879 CA VAL A 40 -7.657 8.967 -2.389 1.00 0.38 C ATOM 880 C VAL A 40 -7.003 7.598 -2.477 1.00 0.37 C ATOM 881 O VAL A 40 -5.784 7.491 -2.362 1.00 0.30 O ATOM 882 CB VAL A 40 -8.070 9.404 -3.817 1.00 0.45 C ATOM 883 CG1 VAL A 40 -9.194 10.418 -3.779 1.00 0.59 C ATOM 884 CG2 VAL A 40 -6.897 9.970 -4.595 1.00 0.42 C ATOM 0 H VAL A 40 -5.768 9.681 -1.826 1.00 0.30 H new ATOM 0 HA VAL A 40 -8.562 8.939 -1.781 1.00 0.38 H new ATOM 0 HB VAL A 40 -8.421 8.508 -4.328 1.00 0.45 H new ATOM 0 HG11 VAL A 40 -9.460 10.704 -4.796 1.00 0.59 H new ATOM 0 HG12 VAL A 40 -10.062 9.981 -3.286 1.00 0.59 H new ATOM 0 HG13 VAL A 40 -8.870 11.300 -3.227 1.00 0.59 H new ATOM 0 HG21 VAL A 40 -7.229 10.264 -5.591 1.00 0.42 H new ATOM 0 HG22 VAL A 40 -6.500 10.840 -4.073 1.00 0.42 H new ATOM 0 HG23 VAL A 40 -6.118 9.212 -4.681 1.00 0.42 H new ATOM 894 N ASN A 41 -7.801 6.563 -2.695 1.00 0.50 N ATOM 895 CA ASN A 41 -7.278 5.203 -2.745 1.00 0.55 C ATOM 896 C ASN A 41 -6.504 4.981 -4.030 1.00 0.44 C ATOM 897 O ASN A 41 -6.624 5.763 -4.976 1.00 0.43 O ATOM 898 CB ASN A 41 -8.399 4.168 -2.624 1.00 0.78 C ATOM 899 CG ASN A 41 -8.775 3.873 -1.185 1.00 1.16 C ATOM 900 OD1 ASN A 41 -8.211 2.980 -0.550 1.00 1.73 O ATOM 901 ND2 ASN A 41 -9.733 4.618 -0.665 1.00 1.16 N ATOM 0 H ASN A 41 -8.808 6.636 -2.840 1.00 0.50 H new ATOM 0 HA ASN A 41 -6.606 5.076 -1.896 1.00 0.55 H new ATOM 0 HB2 ASN A 41 -9.279 4.528 -3.158 1.00 0.78 H new ATOM 0 HB3 ASN A 41 -8.087 3.243 -3.110 1.00 0.78 H new ATOM 0 HD21 ASN A 41 -10.033 4.465 0.298 1.00 1.16 H new ATOM 0 HD22 ASN A 41 -10.174 5.347 -1.226 1.00 1.16 H new ATOM 908 N ARG A 42 -5.720 3.910 -4.060 1.00 0.46 N ATOM 909 CA ARG A 42 -4.837 3.634 -5.182 1.00 0.39 C ATOM 910 C ARG A 42 -5.519 2.709 -6.179 1.00 0.45 C ATOM 911 O ARG A 42 -5.681 1.518 -5.914 1.00 0.51 O ATOM 912 CB ARG A 42 -3.533 3.008 -4.684 1.00 0.48 C ATOM 913 CG ARG A 42 -2.543 2.633 -5.784 1.00 1.13 C ATOM 914 CD ARG A 42 -2.283 3.767 -6.758 1.00 1.57 C ATOM 915 NE ARG A 42 -1.344 3.373 -7.810 1.00 2.08 N ATOM 916 CZ ARG A 42 -1.469 3.710 -9.095 1.00 2.71 C ATOM 917 NH1 ARG A 42 -2.491 4.458 -9.497 1.00 3.32 N ATOM 918 NH2 ARG A 42 -0.570 3.293 -9.979 1.00 3.14 N ATOM 0 H ARG A 42 -5.679 3.216 -3.314 1.00 0.46 H new ATOM 0 HA ARG A 42 -4.606 4.574 -5.684 1.00 0.39 H new ATOM 0 HB2 ARG A 42 -3.049 3.706 -4.001 1.00 0.48 H new ATOM 0 HB3 ARG A 42 -3.772 2.113 -4.109 1.00 0.48 H new ATOM 0 HG2 ARG A 42 -1.600 2.329 -5.329 1.00 1.13 H new ATOM 0 HG3 ARG A 42 -2.925 1.771 -6.331 1.00 1.13 H new ATOM 0 HD2 ARG A 42 -3.224 4.082 -7.209 1.00 1.57 H new ATOM 0 HD3 ARG A 42 -1.885 4.626 -6.218 1.00 1.57 H new ATOM 0 HE ARG A 42 -0.541 2.803 -7.543 1.00 2.08 H new ATOM 0 HH11 ARG A 42 -3.185 4.778 -8.822 1.00 3.32 H new ATOM 0 HH12 ARG A 42 -2.581 4.712 -10.481 1.00 3.32 H new ATOM 0 HH21 ARG A 42 0.214 2.716 -9.675 1.00 3.14 H new ATOM 0 HH22 ARG A 42 -0.664 3.550 -10.962 1.00 3.14 H new ATOM 932 N PRO A 43 -5.968 3.249 -7.318 1.00 0.53 N ATOM 933 CA PRO A 43 -6.523 2.440 -8.400 1.00 0.67 C ATOM 934 C PRO A 43 -5.497 1.473 -8.974 1.00 0.66 C ATOM 935 O PRO A 43 -4.452 1.880 -9.487 1.00 0.68 O ATOM 936 CB PRO A 43 -6.929 3.470 -9.454 1.00 0.80 C ATOM 937 CG PRO A 43 -7.063 4.739 -8.699 1.00 0.73 C ATOM 938 CD PRO A 43 -6.019 4.684 -7.632 1.00 0.55 C ATOM 0 HA PRO A 43 -7.350 1.818 -8.058 1.00 0.67 H new ATOM 0 HB2 PRO A 43 -6.177 3.552 -10.239 1.00 0.80 H new ATOM 0 HB3 PRO A 43 -7.866 3.195 -9.938 1.00 0.80 H new ATOM 0 HG2 PRO A 43 -6.913 5.600 -9.350 1.00 0.73 H new ATOM 0 HG3 PRO A 43 -8.059 4.835 -8.268 1.00 0.73 H new ATOM 0 HD2 PRO A 43 -5.058 5.058 -7.984 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -6.294 5.281 -6.763 1.00 0.55 H new ATOM 946 N LEU A 44 -5.811 0.200 -8.876 1.00 0.72 N ATOM 947 CA LEU A 44 -4.969 -0.853 -9.422 1.00 0.73 C ATOM 948 C LEU A 44 -5.777 -1.764 -10.326 1.00 1.12 C ATOM 949 O LEU A 44 -5.999 -1.464 -11.500 1.00 1.52 O ATOM 950 CB LEU A 44 -4.323 -1.718 -8.331 1.00 0.81 C ATOM 951 CG LEU A 44 -3.021 -1.199 -7.692 1.00 0.88 C ATOM 952 CD1 LEU A 44 -2.225 -0.339 -8.660 1.00 1.80 C ATOM 953 CD2 LEU A 44 -3.299 -0.454 -6.398 1.00 0.84 C ATOM 0 H LEU A 44 -6.656 -0.139 -8.416 1.00 0.72 H new ATOM 0 HA LEU A 44 -4.180 -0.350 -9.982 1.00 0.73 H new ATOM 0 HB2 LEU A 44 -5.055 -1.859 -7.536 1.00 0.81 H new ATOM 0 HB3 LEU A 44 -4.121 -2.701 -8.756 1.00 0.81 H new ATOM 0 HG LEU A 44 -2.411 -2.069 -7.450 1.00 0.88 H new ATOM 0 HD11 LEU A 44 -1.314 0.008 -8.173 1.00 1.80 H new ATOM 0 HD12 LEU A 44 -1.965 -0.927 -9.540 1.00 1.80 H new ATOM 0 HD13 LEU A 44 -2.825 0.519 -8.962 1.00 1.80 H new ATOM 0 HD21 LEU A 44 -2.360 -0.101 -5.972 1.00 0.84 H new ATOM 0 HD22 LEU A 44 -3.948 0.398 -6.601 1.00 0.84 H new ATOM 0 HD23 LEU A 44 -3.789 -1.123 -5.691 1.00 0.84 H new ATOM 965 N THR A 45 -6.233 -2.864 -9.743 1.00 1.43 N ATOM 966 CA THR A 45 -6.966 -3.894 -10.451 1.00 1.89 C ATOM 967 C THR A 45 -6.075 -4.620 -11.451 1.00 2.49 C ATOM 968 O THR A 45 -5.508 -5.670 -11.145 1.00 3.12 O ATOM 969 CB THR A 45 -8.215 -3.329 -11.146 1.00 2.47 C ATOM 970 OG1 THR A 45 -8.936 -2.486 -10.234 1.00 2.85 O ATOM 971 CG2 THR A 45 -9.109 -4.462 -11.594 1.00 3.21 C ATOM 0 H THR A 45 -6.100 -3.065 -8.752 1.00 1.43 H new ATOM 0 HA THR A 45 -7.300 -4.617 -9.707 1.00 1.89 H new ATOM 0 HB THR A 45 -7.906 -2.747 -12.014 1.00 2.47 H new ATOM 0 HG1 THR A 45 -9.731 -2.126 -10.680 1.00 2.85 H new ATOM 0 HG21 THR A 45 -9.993 -4.056 -12.086 1.00 3.21 H new ATOM 0 HG22 THR A 45 -8.566 -5.100 -12.292 1.00 3.21 H new ATOM 0 HG23 THR A 45 -9.414 -5.049 -10.728 1.00 3.21 H new ATOM 979 N MET A 46 -5.929 -4.049 -12.622 1.00 3.01 N ATOM 980 CA MET A 46 -5.119 -4.660 -13.664 1.00 4.06 C ATOM 981 C MET A 46 -4.493 -3.612 -14.563 1.00 4.82 C ATOM 982 O MET A 46 -3.275 -3.437 -14.582 1.00 5.29 O ATOM 983 CB MET A 46 -5.960 -5.632 -14.495 1.00 4.43 C ATOM 984 CG MET A 46 -5.145 -6.460 -15.475 1.00 5.26 C ATOM 985 SD MET A 46 -3.923 -7.504 -14.654 1.00 5.98 S ATOM 986 CE MET A 46 -3.218 -8.369 -16.057 1.00 6.47 C ATOM 0 H MET A 46 -6.358 -3.161 -12.884 1.00 3.01 H new ATOM 0 HA MET A 46 -4.315 -5.212 -13.178 1.00 4.06 H new ATOM 0 HB2 MET A 46 -6.494 -6.303 -13.823 1.00 4.43 H new ATOM 0 HB3 MET A 46 -6.712 -5.068 -15.047 1.00 4.43 H new ATOM 0 HG2 MET A 46 -5.817 -7.086 -16.062 1.00 5.26 H new ATOM 0 HG3 MET A 46 -4.638 -5.794 -16.173 1.00 5.26 H new ATOM 0 HE1 MET A 46 -2.444 -9.054 -15.711 1.00 6.47 H new ATOM 0 HE2 MET A 46 -3.999 -8.932 -16.567 1.00 6.47 H new ATOM 0 HE3 MET A 46 -2.781 -7.647 -16.747 1.00 6.47 H new ATOM 996 N LYS A 47 -5.334 -2.914 -15.294 1.00 5.35 N ATOM 997 CA LYS A 47 -4.875 -1.951 -16.284 1.00 6.39 C ATOM 998 C LYS A 47 -5.905 -0.836 -16.471 1.00 6.45 C ATOM 999 O LYS A 47 -6.410 -0.620 -17.569 1.00 7.14 O ATOM 1000 CB LYS A 47 -4.602 -2.674 -17.610 1.00 7.52 C ATOM 1001 CG LYS A 47 -3.924 -1.819 -18.667 1.00 8.31 C ATOM 1002 CD LYS A 47 -3.640 -2.621 -19.927 1.00 9.24 C ATOM 1003 CE LYS A 47 -3.044 -1.753 -21.022 1.00 10.03 C ATOM 1004 NZ LYS A 47 -3.999 -0.715 -21.491 1.00 10.60 N ATOM 0 H LYS A 47 -6.349 -2.993 -15.224 1.00 5.35 H new ATOM 0 HA LYS A 47 -3.951 -1.491 -15.935 1.00 6.39 H new ATOM 0 HB2 LYS A 47 -3.979 -3.546 -17.412 1.00 7.52 H new ATOM 0 HB3 LYS A 47 -5.547 -3.042 -18.010 1.00 7.52 H new ATOM 0 HG2 LYS A 47 -4.559 -0.967 -18.911 1.00 8.31 H new ATOM 0 HG3 LYS A 47 -2.991 -1.418 -18.270 1.00 8.31 H new ATOM 0 HD2 LYS A 47 -2.954 -3.435 -19.694 1.00 9.24 H new ATOM 0 HD3 LYS A 47 -4.564 -3.076 -20.285 1.00 9.24 H new ATOM 0 HE2 LYS A 47 -2.139 -1.272 -20.651 1.00 10.03 H new ATOM 0 HE3 LYS A 47 -2.749 -2.381 -21.863 1.00 10.03 H new ATOM 0 HZ1 LYS A 47 -3.664 -0.317 -22.391 1.00 10.60 H new ATOM 0 HZ2 LYS A 47 -4.937 -1.143 -21.629 1.00 10.60 H new ATOM 0 HZ3 LYS A 47 -4.065 0.042 -20.781 1.00 10.60 H new ATOM 1018 N LYS A 48 -6.187 -0.124 -15.383 1.00 6.06 N ATOM 1019 CA LYS A 48 -7.188 0.957 -15.373 1.00 6.40 C ATOM 1020 C LYS A 48 -8.492 0.598 -16.113 1.00 6.04 C ATOM 1021 O LYS A 48 -8.982 1.383 -16.930 1.00 6.58 O ATOM 1022 CB LYS A 48 -6.584 2.227 -15.976 1.00 7.59 C ATOM 1023 CG LYS A 48 -5.421 2.783 -15.175 1.00 8.29 C ATOM 1024 CD LYS A 48 -4.758 3.947 -15.892 1.00 9.18 C ATOM 1025 CE LYS A 48 -3.639 4.545 -15.058 1.00 9.92 C ATOM 1026 NZ LYS A 48 -2.609 3.536 -14.703 1.00 10.22 N ATOM 0 H LYS A 48 -5.733 -0.274 -14.482 1.00 6.06 H new ATOM 0 HA LYS A 48 -7.458 1.119 -14.330 1.00 6.40 H new ATOM 0 HB2 LYS A 48 -6.247 2.013 -16.990 1.00 7.59 H new ATOM 0 HB3 LYS A 48 -7.360 2.989 -16.051 1.00 7.59 H new ATOM 0 HG2 LYS A 48 -5.775 3.110 -14.197 1.00 8.29 H new ATOM 0 HG3 LYS A 48 -4.688 1.996 -15.002 1.00 8.29 H new ATOM 0 HD2 LYS A 48 -4.360 3.608 -16.849 1.00 9.18 H new ATOM 0 HD3 LYS A 48 -5.502 4.714 -16.110 1.00 9.18 H new ATOM 0 HE2 LYS A 48 -3.172 5.361 -15.610 1.00 9.92 H new ATOM 0 HE3 LYS A 48 -4.056 4.974 -14.147 1.00 9.92 H new ATOM 0 HZ1 LYS A 48 -1.766 4.017 -14.330 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -2.988 2.892 -13.979 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -2.351 2.991 -15.550 1.00 10.22 H new ATOM 1040 N GLU A 49 -9.065 -0.565 -15.818 1.00 5.38 N ATOM 1041 CA GLU A 49 -10.315 -0.980 -16.436 1.00 5.42 C ATOM 1042 C GLU A 49 -11.308 -1.356 -15.350 1.00 5.55 C ATOM 1043 O GLU A 49 -12.234 -0.566 -15.081 1.00 5.89 O ATOM 1044 CB GLU A 49 -10.096 -2.173 -17.370 1.00 5.41 C ATOM 1045 CG GLU A 49 -9.038 -1.938 -18.432 1.00 5.86 C ATOM 1046 CD GLU A 49 -8.746 -3.179 -19.246 1.00 6.53 C ATOM 1047 OE1 GLU A 49 -8.550 -4.258 -18.647 1.00 7.00 O ATOM 1048 OE2 GLU A 49 -8.691 -3.081 -20.490 1.00 6.85 O ATOM 1049 OXT GLU A 49 -11.134 -2.429 -14.738 1.00 5.74 O ATOM 0 H GLU A 49 -8.681 -1.236 -15.153 1.00 5.38 H new ATOM 0 HA GLU A 49 -10.704 -0.152 -17.028 1.00 5.42 H new ATOM 0 HB2 GLU A 49 -9.812 -3.041 -16.774 1.00 5.41 H new ATOM 0 HB3 GLU A 49 -11.039 -2.417 -17.859 1.00 5.41 H new ATOM 0 HG2 GLU A 49 -9.368 -1.140 -19.098 1.00 5.86 H new ATOM 0 HG3 GLU A 49 -8.119 -1.596 -17.955 1.00 5.86 H new TER 1056 GLU A 49 HETATM 1057 ZN ZN A 101 -3.739 -2.137 -1.516 1.00 0.29 ZN