USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 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 58 SER OG : rot -156:sc= 0.237 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 170:sc= 0.253 (180deg=-0.00494) USER MOD Set 2.1: A 36 GLN : amide:sc= 1.05 K(o=2.3,f=-11!) USER MOD Set 2.2: A 43 LYS NZ :NH3+ 162:sc= 1.26 (180deg=0) USER MOD Single : A 2 SER OG : rot 125:sc= 0.305 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 6 TYR OH : rot -62:sc= 1.3 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 156:sc=-0.00718 (180deg=-0.955) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.149 X(o=0.15,f=-0.3) USER MOD Single : A 28 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.21) USER MOD Single : A 33 ASN : amide:sc= 0.959 K(o=0.96,f=-0.3) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 41 THR OG1 : rot -170:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.556! X(o=-0.56!,f=-0.094) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 1.13 K(o=1.1,f=-0.12) USER MOD Single : A 65 TYR OH : rot -110:sc= 1.01 USER MOD Single : A 66 SER OG : rot 29:sc= 0.0811 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.211 F(o=-0.86,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -8.516 8.780 -15.044 1.00 3.14 N ATOM 2 CA SER A 2 -7.588 8.498 -13.951 1.00 3.25 C ATOM 3 C SER A 2 -6.551 7.444 -14.357 1.00 1.78 C ATOM 4 O SER A 2 -6.497 7.033 -15.516 1.00 2.01 O ATOM 5 CB SER A 2 -8.330 8.117 -12.657 1.00 5.05 C ATOM 6 OG SER A 2 -7.456 8.217 -11.545 1.00 6.38 O ATOM 0 HA SER A 2 -7.042 9.417 -13.738 1.00 3.25 H new ATOM 0 HB2 SER A 2 -9.188 8.773 -12.514 1.00 5.05 H new ATOM 0 HB3 SER A 2 -8.716 7.101 -12.736 1.00 5.05 H new ATOM 0 HG SER A 2 -7.847 8.815 -10.874 1.00 6.38 H new ATOM 12 N GLY A 3 -5.732 7.044 -13.384 1.00 1.51 N ATOM 13 CA GLY A 3 -4.624 6.115 -13.545 1.00 1.06 C ATOM 14 C GLY A 3 -5.103 4.675 -13.404 1.00 1.02 C ATOM 15 O GLY A 3 -5.940 4.212 -14.179 1.00 1.34 O ATOM 0 H GLY A 3 -5.830 7.375 -12.424 1.00 1.51 H new ATOM 0 HA2 GLY A 3 -4.164 6.256 -14.523 1.00 1.06 H new ATOM 0 HA3 GLY A 3 -3.857 6.323 -12.799 1.00 1.06 H new ATOM 19 N THR A 4 -4.568 3.925 -12.437 1.00 0.81 N ATOM 20 CA THR A 4 -5.032 2.574 -12.151 1.00 0.71 C ATOM 21 C THR A 4 -5.033 2.315 -10.657 1.00 0.65 C ATOM 22 O THR A 4 -4.085 2.688 -9.965 1.00 0.83 O ATOM 23 CB THR A 4 -4.179 1.546 -12.901 1.00 0.73 C ATOM 24 OG1 THR A 4 -4.152 1.952 -14.241 1.00 0.89 O ATOM 25 CG2 THR A 4 -4.818 0.155 -12.868 1.00 0.87 C ATOM 0 H THR A 4 -3.806 4.239 -11.836 1.00 0.81 H new ATOM 0 HA THR A 4 -6.059 2.474 -12.503 1.00 0.71 H new ATOM 0 HB THR A 4 -3.193 1.492 -12.441 1.00 0.73 H new ATOM 0 HG1 THR A 4 -3.613 1.322 -14.763 1.00 0.89 H new ATOM 0 HG21 THR A 4 -4.186 -0.549 -13.410 1.00 0.87 H new ATOM 0 HG22 THR A 4 -4.923 -0.173 -11.834 1.00 0.87 H new ATOM 0 HG23 THR A 4 -5.801 0.195 -13.337 1.00 0.87 H new ATOM 33 N ARG A 5 -6.083 1.627 -10.202 1.00 0.48 N ATOM 34 CA ARG A 5 -6.297 1.293 -8.816 1.00 0.40 C ATOM 35 C ARG A 5 -5.786 -0.113 -8.563 1.00 0.35 C ATOM 36 O ARG A 5 -6.308 -1.084 -9.104 1.00 0.56 O ATOM 37 CB ARG A 5 -7.785 1.330 -8.479 1.00 0.51 C ATOM 38 CG ARG A 5 -7.932 1.067 -6.975 1.00 0.61 C ATOM 39 CD ARG A 5 -9.341 0.620 -6.641 1.00 0.93 C ATOM 40 NE ARG A 5 -10.243 1.778 -6.627 1.00 1.47 N ATOM 41 CZ ARG A 5 -11.541 1.697 -6.302 1.00 2.08 C ATOM 42 NH1 ARG A 5 -12.092 0.496 -6.091 1.00 2.41 N ATOM 43 NH2 ARG A 5 -12.273 2.809 -6.177 1.00 3.17 N ATOM 0 H ARG A 5 -6.822 1.283 -10.816 1.00 0.48 H new ATOM 0 HA ARG A 5 -5.768 2.017 -8.196 1.00 0.40 H new ATOM 0 HB2 ARG A 5 -8.212 2.298 -8.741 1.00 0.51 H new ATOM 0 HB3 ARG A 5 -8.325 0.577 -9.053 1.00 0.51 H new ATOM 0 HG2 ARG A 5 -7.220 0.303 -6.664 1.00 0.61 H new ATOM 0 HG3 ARG A 5 -7.691 1.972 -6.418 1.00 0.61 H new ATOM 0 HD2 ARG A 5 -9.684 -0.110 -7.374 1.00 0.93 H new ATOM 0 HD3 ARG A 5 -9.354 0.126 -5.669 1.00 0.93 H new ATOM 0 HE ARG A 5 -9.863 2.691 -6.877 1.00 1.47 H new ATOM 0 HH11 ARG A 5 -11.525 -0.348 -6.178 1.00 2.41 H new ATOM 0 HH12 ARG A 5 -13.079 0.424 -5.843 1.00 2.41 H new ATOM 0 HH21 ARG A 5 -11.844 3.722 -6.329 1.00 3.17 H new ATOM 0 HH22 ARG A 5 -13.260 2.744 -5.930 1.00 3.17 H new ATOM 57 N TYR A 6 -4.815 -0.202 -7.670 1.00 0.35 N ATOM 58 CA TYR A 6 -4.319 -1.459 -7.133 1.00 0.30 C ATOM 59 C TYR A 6 -4.739 -1.705 -5.695 1.00 0.27 C ATOM 60 O TYR A 6 -4.601 -0.784 -4.897 1.00 0.37 O ATOM 61 CB TYR A 6 -2.827 -1.496 -7.366 1.00 0.40 C ATOM 62 CG TYR A 6 -2.510 -1.214 -8.811 1.00 0.56 C ATOM 63 CD1 TYR A 6 -3.152 -1.986 -9.795 1.00 2.00 C ATOM 64 CD2 TYR A 6 -1.707 -0.124 -9.182 1.00 1.49 C ATOM 65 CE1 TYR A 6 -2.844 -1.793 -11.143 1.00 2.22 C ATOM 66 CE2 TYR A 6 -1.415 0.078 -10.539 1.00 1.52 C ATOM 67 CZ TYR A 6 -1.910 -0.813 -11.507 1.00 1.16 C ATOM 68 OH TYR A 6 -1.408 -0.810 -12.768 1.00 1.67 O ATOM 0 H TYR A 6 -4.339 0.616 -7.289 1.00 0.35 H new ATOM 0 HA TYR A 6 -4.777 -2.298 -7.657 1.00 0.30 H new ATOM 0 HB2 TYR A 6 -2.336 -0.760 -6.730 1.00 0.40 H new ATOM 0 HB3 TYR A 6 -2.434 -2.473 -7.086 1.00 0.40 H new ATOM 0 HD1 TYR A 6 -3.883 -2.728 -9.508 1.00 2.00 H new ATOM 0 HD2 TYR A 6 -1.319 0.550 -8.433 1.00 1.49 H new ATOM 0 HE1 TYR A 6 -3.323 -2.395 -11.901 1.00 2.22 H new ATOM 0 HE2 TYR A 6 -0.809 0.919 -10.841 1.00 1.52 H new ATOM 0 HH TYR A 6 -0.921 -1.645 -12.928 1.00 1.67 H new ATOM 78 N SER A 7 -5.255 -2.914 -5.384 1.00 0.24 N ATOM 79 CA SER A 7 -5.633 -3.333 -4.033 1.00 0.27 C ATOM 80 C SER A 7 -4.655 -4.392 -3.499 1.00 0.29 C ATOM 81 O SER A 7 -4.060 -5.116 -4.293 1.00 0.33 O ATOM 82 CB SER A 7 -7.088 -3.825 -3.994 1.00 0.34 C ATOM 83 OG SER A 7 -7.464 -4.193 -2.679 1.00 2.05 O ATOM 0 H SER A 7 -5.421 -3.635 -6.086 1.00 0.24 H new ATOM 0 HA SER A 7 -5.570 -2.467 -3.374 1.00 0.27 H new ATOM 0 HB2 SER A 7 -7.751 -3.041 -4.360 1.00 0.34 H new ATOM 0 HB3 SER A 7 -7.205 -4.678 -4.662 1.00 0.34 H new ATOM 0 HG SER A 7 -8.394 -4.501 -2.679 1.00 2.05 H new ATOM 89 N TRP A 8 -4.457 -4.473 -2.174 1.00 0.31 N ATOM 90 CA TRP A 8 -3.731 -5.546 -1.491 1.00 0.35 C ATOM 91 C TRP A 8 -4.353 -5.889 -0.132 1.00 0.35 C ATOM 92 O TRP A 8 -5.184 -5.131 0.372 1.00 0.40 O ATOM 93 CB TRP A 8 -2.279 -5.171 -1.242 1.00 0.36 C ATOM 94 CG TRP A 8 -1.426 -4.703 -2.369 1.00 0.44 C ATOM 95 CD1 TRP A 8 -0.389 -5.359 -2.908 1.00 0.61 C ATOM 96 CD2 TRP A 8 -1.370 -3.406 -2.995 1.00 0.42 C ATOM 97 NE1 TRP A 8 0.471 -4.376 -3.411 1.00 0.83 N ATOM 98 CE2 TRP A 8 -0.001 -3.086 -3.132 1.00 0.84 C ATOM 99 CE3 TRP A 8 -2.076 -2.841 -4.076 1.00 0.73 C ATOM 100 CZ2 TRP A 8 0.240 -1.811 -3.706 1.00 1.11 C ATOM 101 CZ3 TRP A 8 -1.281 -2.535 -5.233 1.00 0.72 C ATOM 102 CH2 TRP A 8 -0.174 -1.731 -5.014 1.00 0.52 C ATOM 0 H TRP A 8 -4.812 -3.767 -1.529 1.00 0.31 H new ATOM 0 HA TRP A 8 -3.792 -6.407 -2.156 1.00 0.35 H new ATOM 0 HB2 TRP A 8 -2.272 -4.388 -0.484 1.00 0.36 H new ATOM 0 HB3 TRP A 8 -1.790 -6.042 -0.805 1.00 0.36 H new ATOM 0 HD1 TRP A 8 -0.246 -6.429 -2.946 1.00 0.61 H new ATOM 0 HE1 TRP A 8 1.334 -4.574 -3.918 1.00 0.83 H new ATOM 0 HE3 TRP A 8 -3.139 -2.652 -4.037 1.00 0.73 H new ATOM 0 HZ2 TRP A 8 0.699 -0.992 -3.173 1.00 1.11 H new ATOM 0 HZ3 TRP A 8 -1.531 -2.909 -6.215 1.00 0.72 H new ATOM 0 HH2 TRP A 8 0.300 -1.123 -5.770 1.00 0.52 H new ATOM 113 N LYS A 9 -3.890 -7.002 0.467 1.00 0.39 N ATOM 114 CA LYS A 9 -4.418 -7.602 1.690 1.00 0.36 C ATOM 115 C LYS A 9 -3.317 -7.572 2.753 1.00 0.49 C ATOM 116 O LYS A 9 -2.441 -8.431 2.742 1.00 0.79 O ATOM 117 CB LYS A 9 -4.796 -9.060 1.389 1.00 0.45 C ATOM 118 CG LYS A 9 -5.713 -9.186 0.167 1.00 1.27 C ATOM 119 CD LYS A 9 -5.405 -10.470 -0.610 1.00 1.00 C ATOM 120 CE LYS A 9 -6.284 -11.638 -0.160 1.00 1.21 C ATOM 121 NZ LYS A 9 -6.573 -12.533 -1.302 1.00 1.87 N ATOM 0 H LYS A 9 -3.101 -7.526 0.088 1.00 0.39 H new ATOM 0 HA LYS A 9 -5.293 -7.058 2.045 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -3.889 -9.640 1.220 1.00 0.45 H new ATOM 0 HB3 LYS A 9 -5.293 -9.491 2.258 1.00 0.45 H new ATOM 0 HG2 LYS A 9 -6.755 -9.189 0.487 1.00 1.27 H new ATOM 0 HG3 LYS A 9 -5.582 -8.321 -0.483 1.00 1.27 H new ATOM 0 HD2 LYS A 9 -5.554 -10.294 -1.675 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -4.356 -10.733 -0.474 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -5.782 -12.196 0.630 1.00 1.21 H new ATOM 0 HE3 LYS A 9 -7.216 -11.260 0.259 1.00 1.21 H new ATOM 0 HZ1 LYS A 9 -7.442 -13.071 -1.110 1.00 1.87 H new ATOM 0 HZ2 LYS A 9 -6.700 -11.966 -2.164 1.00 1.87 H new ATOM 0 HZ3 LYS A 9 -5.780 -13.192 -1.436 1.00 1.87 H new ATOM 135 N VAL A 10 -3.317 -6.581 3.636 1.00 0.41 N ATOM 136 CA VAL A 10 -2.185 -6.278 4.496 1.00 0.54 C ATOM 137 C VAL A 10 -2.415 -6.879 5.880 1.00 0.68 C ATOM 138 O VAL A 10 -3.327 -6.450 6.584 1.00 1.45 O ATOM 139 CB VAL A 10 -1.998 -4.757 4.588 1.00 0.63 C ATOM 140 CG1 VAL A 10 -0.606 -4.447 5.131 1.00 0.83 C ATOM 141 CG2 VAL A 10 -2.118 -4.098 3.216 1.00 0.51 C ATOM 0 H VAL A 10 -4.113 -5.959 3.775 1.00 0.41 H new ATOM 0 HA VAL A 10 -1.279 -6.714 4.075 1.00 0.54 H new ATOM 0 HB VAL A 10 -2.775 -4.368 5.246 1.00 0.63 H new ATOM 0 HG11 VAL A 10 -0.473 -3.367 5.196 1.00 0.83 H new ATOM 0 HG12 VAL A 10 -0.496 -4.887 6.122 1.00 0.83 H new ATOM 0 HG13 VAL A 10 0.147 -4.865 4.463 1.00 0.83 H new ATOM 0 HG21 VAL A 10 -1.981 -3.021 3.316 1.00 0.51 H new ATOM 0 HG22 VAL A 10 -1.354 -4.501 2.551 1.00 0.51 H new ATOM 0 HG23 VAL A 10 -3.105 -4.301 2.800 1.00 0.51 H new ATOM 151 N SER A 11 -1.590 -7.848 6.283 1.00 0.32 N ATOM 152 CA SER A 11 -1.770 -8.570 7.540 1.00 0.42 C ATOM 153 C SER A 11 -0.603 -8.254 8.476 1.00 0.59 C ATOM 154 O SER A 11 0.333 -9.036 8.617 1.00 1.09 O ATOM 155 CB SER A 11 -1.945 -10.066 7.251 1.00 0.68 C ATOM 156 OG SER A 11 -2.721 -10.666 8.272 1.00 0.95 O ATOM 0 H SER A 11 -0.779 -8.153 5.745 1.00 0.32 H new ATOM 0 HA SER A 11 -2.676 -8.248 8.053 1.00 0.42 H new ATOM 0 HB2 SER A 11 -2.430 -10.204 6.285 1.00 0.68 H new ATOM 0 HB3 SER A 11 -0.970 -10.550 7.191 1.00 0.68 H new ATOM 0 HG SER A 11 -2.831 -11.621 8.081 1.00 0.95 H new ATOM 162 N GLY A 12 -0.645 -7.070 9.093 1.00 0.58 N ATOM 163 CA GLY A 12 0.428 -6.603 9.961 1.00 0.83 C ATOM 164 C GLY A 12 0.238 -5.137 10.341 1.00 0.86 C ATOM 165 O GLY A 12 0.558 -4.733 11.456 1.00 1.00 O ATOM 0 H GLY A 12 -1.421 -6.415 9.003 1.00 0.58 H new ATOM 0 HA2 GLY A 12 0.460 -7.213 10.864 1.00 0.83 H new ATOM 0 HA3 GLY A 12 1.386 -6.729 9.457 1.00 0.83 H new ATOM 169 N MET A 13 -0.281 -4.327 9.413 1.00 0.79 N ATOM 170 CA MET A 13 -0.578 -2.935 9.692 1.00 0.77 C ATOM 171 C MET A 13 -1.715 -2.826 10.701 1.00 0.92 C ATOM 172 O MET A 13 -2.884 -2.822 10.318 1.00 1.20 O ATOM 173 CB MET A 13 -0.933 -2.219 8.392 1.00 0.67 C ATOM 174 CG MET A 13 -1.129 -0.717 8.607 1.00 1.81 C ATOM 175 SD MET A 13 -2.807 -0.130 8.287 1.00 2.28 S ATOM 176 CE MET A 13 -2.906 -0.276 6.492 1.00 2.11 C ATOM 0 H MET A 13 -0.502 -4.621 8.462 1.00 0.79 H new ATOM 0 HA MET A 13 0.301 -2.459 10.126 1.00 0.77 H new ATOM 0 HB2 MET A 13 -0.142 -2.381 7.660 1.00 0.67 H new ATOM 0 HB3 MET A 13 -1.845 -2.649 7.977 1.00 0.67 H new ATOM 0 HG2 MET A 13 -0.861 -0.471 9.635 1.00 1.81 H new ATOM 0 HG3 MET A 13 -0.438 -0.176 7.960 1.00 1.81 H new ATOM 0 HE1 MET A 13 -3.950 -0.369 6.192 1.00 2.11 H new ATOM 0 HE2 MET A 13 -2.473 0.611 6.030 1.00 2.11 H new ATOM 0 HE3 MET A 13 -2.355 -1.159 6.168 1.00 2.11 H new ATOM 186 N ASP A 14 -1.360 -2.688 11.978 1.00 1.08 N ATOM 187 CA ASP A 14 -2.313 -2.376 13.022 1.00 1.28 C ATOM 188 C ASP A 14 -1.696 -1.397 14.018 1.00 1.37 C ATOM 189 O ASP A 14 -1.117 -1.801 15.024 1.00 2.02 O ATOM 190 CB ASP A 14 -2.792 -3.680 13.680 1.00 1.70 C ATOM 191 CG ASP A 14 -3.711 -3.458 14.876 1.00 2.48 C ATOM 192 OD1 ASP A 14 -4.265 -2.345 14.981 1.00 2.88 O ATOM 193 OD2 ASP A 14 -3.865 -4.424 15.653 1.00 3.75 O ATOM 0 H ASP A 14 -0.401 -2.791 12.310 1.00 1.08 H new ATOM 0 HA ASP A 14 -3.190 -1.882 12.603 1.00 1.28 H new ATOM 0 HB2 ASP A 14 -3.316 -4.281 12.937 1.00 1.70 H new ATOM 0 HB3 ASP A 14 -1.924 -4.255 14.001 1.00 1.70 H new ATOM 198 N CYS A 15 -1.790 -0.102 13.694 1.00 0.84 N ATOM 199 CA CYS A 15 -1.513 1.013 14.596 1.00 0.80 C ATOM 200 C CYS A 15 -1.630 2.319 13.818 1.00 0.97 C ATOM 201 O CYS A 15 -1.155 2.408 12.680 1.00 2.47 O ATOM 202 CB CYS A 15 -0.116 0.937 15.243 1.00 0.82 C ATOM 203 SG CYS A 15 -0.260 0.696 17.035 1.00 1.22 S ATOM 0 H CYS A 15 -2.071 0.205 12.763 1.00 0.84 H new ATOM 0 HA CYS A 15 -2.243 0.963 15.404 1.00 0.80 H new ATOM 0 HB2 CYS A 15 0.451 0.116 14.804 1.00 0.82 H new ATOM 0 HB3 CYS A 15 0.438 1.853 15.036 1.00 0.82 H new ATOM 0 HG CYS A 15 0.927 0.632 17.561 1.00 1.22 H new ATOM 209 N ALA A 16 -2.200 3.354 14.450 1.00 0.80 N ATOM 210 CA ALA A 16 -2.353 4.694 13.888 1.00 0.88 C ATOM 211 C ALA A 16 -1.005 5.430 13.848 1.00 1.25 C ATOM 212 O ALA A 16 -0.821 6.465 14.481 1.00 2.73 O ATOM 213 CB ALA A 16 -3.402 5.463 14.699 1.00 1.39 C ATOM 0 H ALA A 16 -2.577 3.275 15.394 1.00 0.80 H new ATOM 0 HA ALA A 16 -2.699 4.620 12.857 1.00 0.88 H new ATOM 0 HB1 ALA A 16 -3.521 6.464 14.284 1.00 1.39 H new ATOM 0 HB2 ALA A 16 -4.355 4.936 14.653 1.00 1.39 H new ATOM 0 HB3 ALA A 16 -3.077 5.536 15.737 1.00 1.39 H new ATOM 219 N ALA A 17 -0.063 4.864 13.095 1.00 0.80 N ATOM 220 CA ALA A 17 1.335 5.255 12.991 1.00 0.78 C ATOM 221 C ALA A 17 1.986 4.358 11.938 1.00 0.56 C ATOM 222 O ALA A 17 2.583 4.833 10.972 1.00 0.66 O ATOM 223 CB ALA A 17 2.038 5.094 14.347 1.00 1.13 C ATOM 0 H ALA A 17 -0.276 4.063 12.500 1.00 0.80 H new ATOM 0 HA ALA A 17 1.419 6.302 12.701 1.00 0.78 H new ATOM 0 HB1 ALA A 17 3.083 5.390 14.253 1.00 1.13 H new ATOM 0 HB2 ALA A 17 1.547 5.725 15.088 1.00 1.13 H new ATOM 0 HB3 ALA A 17 1.984 4.052 14.664 1.00 1.13 H new ATOM 229 N CYS A 18 1.805 3.043 12.092 1.00 0.51 N ATOM 230 CA CYS A 18 2.221 2.069 11.093 1.00 0.60 C ATOM 231 C CYS A 18 1.339 2.228 9.858 1.00 0.51 C ATOM 232 O CYS A 18 1.798 2.034 8.732 1.00 0.51 O ATOM 233 CB CYS A 18 2.164 0.649 11.666 1.00 0.89 C ATOM 234 SG CYS A 18 3.683 0.342 12.602 1.00 2.41 S ATOM 0 H CYS A 18 1.366 2.629 12.914 1.00 0.51 H new ATOM 0 HA CYS A 18 3.257 2.246 10.805 1.00 0.60 H new ATOM 0 HB2 CYS A 18 1.293 0.536 12.311 1.00 0.89 H new ATOM 0 HB3 CYS A 18 2.061 -0.080 10.862 1.00 0.89 H new ATOM 0 HG CYS A 18 3.652 -0.859 13.098 1.00 2.41 H new ATOM 240 N ALA A 19 0.089 2.655 10.070 1.00 0.55 N ATOM 241 CA ALA A 19 -0.774 3.121 9.002 1.00 0.61 C ATOM 242 C ALA A 19 -0.041 4.124 8.104 1.00 0.54 C ATOM 243 O ALA A 19 0.079 3.895 6.901 1.00 0.73 O ATOM 244 CB ALA A 19 -2.064 3.706 9.582 1.00 0.75 C ATOM 0 H ALA A 19 -0.345 2.683 10.993 1.00 0.55 H new ATOM 0 HA ALA A 19 -1.047 2.273 8.374 1.00 0.61 H new ATOM 0 HB1 ALA A 19 -2.704 4.052 8.770 1.00 0.75 H new ATOM 0 HB2 ALA A 19 -2.587 2.939 10.154 1.00 0.75 H new ATOM 0 HB3 ALA A 19 -1.822 4.544 10.236 1.00 0.75 H new ATOM 250 N ARG A 20 0.490 5.219 8.670 1.00 0.38 N ATOM 251 CA ARG A 20 1.183 6.217 7.896 1.00 0.45 C ATOM 252 C ARG A 20 2.328 5.593 7.115 1.00 0.38 C ATOM 253 O ARG A 20 2.507 5.914 5.943 1.00 0.42 O ATOM 254 CB ARG A 20 1.673 7.365 8.773 1.00 0.50 C ATOM 255 CG ARG A 20 0.515 8.279 9.191 1.00 0.60 C ATOM 256 CD ARG A 20 0.820 8.964 10.529 1.00 0.77 C ATOM 257 NE ARG A 20 0.097 10.239 10.662 1.00 1.37 N ATOM 258 CZ ARG A 20 0.558 11.433 10.252 1.00 2.67 C ATOM 259 NH1 ARG A 20 1.719 11.508 9.591 1.00 3.86 N ATOM 260 NH2 ARG A 20 -0.138 12.546 10.507 1.00 3.41 N ATOM 0 H ARG A 20 0.443 5.421 9.669 1.00 0.38 H new ATOM 0 HA ARG A 20 0.474 6.636 7.182 1.00 0.45 H new ATOM 0 HB2 ARG A 20 2.162 6.964 9.661 1.00 0.50 H new ATOM 0 HB3 ARG A 20 2.420 7.945 8.232 1.00 0.50 H new ATOM 0 HG2 ARG A 20 0.344 9.032 8.422 1.00 0.60 H new ATOM 0 HG3 ARG A 20 -0.402 7.696 9.276 1.00 0.60 H new ATOM 0 HD2 ARG A 20 0.544 8.301 11.349 1.00 0.77 H new ATOM 0 HD3 ARG A 20 1.892 9.143 10.611 1.00 0.77 H new ATOM 0 HE ARG A 20 -0.824 10.215 11.099 1.00 1.37 H new ATOM 0 HH11 ARG A 20 2.252 10.660 9.399 1.00 3.86 H new ATOM 0 HH12 ARG A 20 2.071 12.413 9.279 1.00 3.86 H new ATOM 0 HH21 ARG A 20 -1.021 12.490 11.014 1.00 3.41 H new ATOM 0 HH22 ARG A 20 0.214 13.451 10.195 1.00 3.41 H new ATOM 274 N LYS A 21 3.099 4.695 7.736 1.00 0.34 N ATOM 275 CA LYS A 21 4.193 4.027 7.040 1.00 0.33 C ATOM 276 C LYS A 21 3.767 3.558 5.648 1.00 0.36 C ATOM 277 O LYS A 21 4.549 3.677 4.711 1.00 0.35 O ATOM 278 CB LYS A 21 4.767 2.861 7.858 1.00 0.42 C ATOM 279 CG LYS A 21 6.249 3.083 8.187 1.00 0.95 C ATOM 280 CD LYS A 21 6.405 4.159 9.278 1.00 0.99 C ATOM 281 CE LYS A 21 6.938 3.563 10.588 1.00 1.91 C ATOM 282 NZ LYS A 21 8.385 3.262 10.516 1.00 2.86 N ATOM 0 H LYS A 21 2.984 4.418 8.711 1.00 0.34 H new ATOM 0 HA LYS A 21 4.987 4.764 6.919 1.00 0.33 H new ATOM 0 HB2 LYS A 21 4.200 2.750 8.782 1.00 0.42 H new ATOM 0 HB3 LYS A 21 4.652 1.932 7.300 1.00 0.42 H new ATOM 0 HG2 LYS A 21 6.697 2.148 8.524 1.00 0.95 H new ATOM 0 HG3 LYS A 21 6.785 3.388 7.288 1.00 0.95 H new ATOM 0 HD2 LYS A 21 7.084 4.936 8.928 1.00 0.99 H new ATOM 0 HD3 LYS A 21 5.442 4.636 9.460 1.00 0.99 H new ATOM 0 HE2 LYS A 21 6.754 4.261 11.404 1.00 1.91 H new ATOM 0 HE3 LYS A 21 6.390 2.650 10.820 1.00 1.91 H new ATOM 0 HZ1 LYS A 21 8.702 2.862 11.422 1.00 2.86 H new ATOM 0 HZ2 LYS A 21 8.559 2.576 9.754 1.00 2.86 H new ATOM 0 HZ3 LYS A 21 8.912 4.137 10.321 1.00 2.86 H new ATOM 296 N VAL A 22 2.529 3.086 5.484 1.00 0.49 N ATOM 297 CA VAL A 22 2.033 2.709 4.184 1.00 0.59 C ATOM 298 C VAL A 22 1.893 3.909 3.251 1.00 0.60 C ATOM 299 O VAL A 22 2.451 3.885 2.155 1.00 0.70 O ATOM 300 CB VAL A 22 0.677 2.038 4.324 1.00 0.68 C ATOM 301 CG1 VAL A 22 0.276 1.556 2.930 1.00 0.83 C ATOM 302 CG2 VAL A 22 0.730 0.847 5.290 1.00 0.66 C ATOM 0 H VAL A 22 1.861 2.960 6.244 1.00 0.49 H new ATOM 0 HA VAL A 22 2.759 2.022 3.750 1.00 0.59 H new ATOM 0 HB VAL A 22 -0.046 2.745 4.731 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -0.696 1.065 2.980 1.00 0.83 H new ATOM 0 HG12 VAL A 22 0.217 2.408 2.253 1.00 0.83 H new ATOM 0 HG13 VAL A 22 1.020 0.850 2.561 1.00 0.83 H new ATOM 0 HG21 VAL A 22 -0.259 0.394 5.363 1.00 0.66 H new ATOM 0 HG22 VAL A 22 1.441 0.109 4.919 1.00 0.66 H new ATOM 0 HG23 VAL A 22 1.045 1.191 6.275 1.00 0.66 H new ATOM 312 N GLU A 23 1.109 4.930 3.626 1.00 0.53 N ATOM 313 CA GLU A 23 0.866 6.026 2.697 1.00 0.59 C ATOM 314 C GLU A 23 2.231 6.586 2.305 1.00 0.54 C ATOM 315 O GLU A 23 2.498 6.825 1.142 1.00 0.63 O ATOM 316 CB GLU A 23 -0.104 7.098 3.220 1.00 0.62 C ATOM 317 CG GLU A 23 0.432 7.758 4.483 1.00 0.49 C ATOM 318 CD GLU A 23 -0.269 9.047 4.874 1.00 0.75 C ATOM 319 OE1 GLU A 23 -0.051 10.037 4.137 1.00 2.01 O ATOM 320 OE2 GLU A 23 -0.915 9.048 5.941 1.00 1.60 O ATOM 0 H GLU A 23 0.650 5.014 4.533 1.00 0.53 H new ATOM 0 HA GLU A 23 0.343 5.646 1.819 1.00 0.59 H new ATOM 0 HB2 GLU A 23 -0.263 7.854 2.451 1.00 0.62 H new ATOM 0 HB3 GLU A 23 -1.073 6.645 3.427 1.00 0.62 H new ATOM 0 HG2 GLU A 23 0.350 7.051 5.309 1.00 0.49 H new ATOM 0 HG3 GLU A 23 1.493 7.965 4.346 1.00 0.49 H new ATOM 327 N ASN A 24 3.146 6.697 3.262 1.00 0.38 N ATOM 328 CA ASN A 24 4.474 7.236 3.038 1.00 0.35 C ATOM 329 C ASN A 24 5.309 6.278 2.180 1.00 0.35 C ATOM 330 O ASN A 24 6.066 6.725 1.317 1.00 0.38 O ATOM 331 CB ASN A 24 5.116 7.568 4.382 1.00 0.35 C ATOM 332 CG ASN A 24 4.434 8.768 5.053 1.00 0.38 C ATOM 333 OD1 ASN A 24 4.857 9.909 4.904 1.00 0.53 O ATOM 334 ND2 ASN A 24 3.347 8.507 5.773 1.00 0.35 N ATOM 0 H ASN A 24 2.980 6.410 4.227 1.00 0.38 H new ATOM 0 HA ASN A 24 4.415 8.165 2.471 1.00 0.35 H new ATOM 0 HB2 ASN A 24 5.056 6.700 5.039 1.00 0.35 H new ATOM 0 HB3 ASN A 24 6.174 7.785 4.237 1.00 0.35 H new ATOM 0 HD21 ASN A 24 2.838 9.268 6.222 1.00 0.35 H new ATOM 0 HD22 ASN A 24 3.022 7.546 5.876 1.00 0.35 H new ATOM 341 N ALA A 25 5.143 4.962 2.373 1.00 0.36 N ATOM 342 CA ALA A 25 5.723 3.925 1.526 1.00 0.37 C ATOM 343 C ALA A 25 5.307 4.072 0.068 1.00 0.37 C ATOM 344 O ALA A 25 6.010 3.550 -0.793 1.00 0.33 O ATOM 345 CB ALA A 25 5.397 2.516 2.035 1.00 0.47 C ATOM 0 H ALA A 25 4.588 4.586 3.142 1.00 0.36 H new ATOM 0 HA ALA A 25 6.803 4.062 1.581 1.00 0.37 H new ATOM 0 HB1 ALA A 25 5.849 1.777 1.374 1.00 0.47 H new ATOM 0 HB2 ALA A 25 5.794 2.392 3.043 1.00 0.47 H new ATOM 0 HB3 ALA A 25 4.316 2.376 2.051 1.00 0.47 H new ATOM 351 N VAL A 26 4.199 4.765 -0.226 1.00 0.46 N ATOM 352 CA VAL A 26 3.756 5.000 -1.587 1.00 0.48 C ATOM 353 C VAL A 26 3.967 6.446 -2.045 1.00 0.47 C ATOM 354 O VAL A 26 4.349 6.687 -3.187 1.00 0.51 O ATOM 355 CB VAL A 26 2.325 4.498 -1.757 1.00 0.50 C ATOM 356 CG1 VAL A 26 2.252 3.018 -1.378 1.00 1.59 C ATOM 357 CG2 VAL A 26 1.236 5.247 -1.005 1.00 1.92 C ATOM 0 H VAL A 26 3.590 5.175 0.482 1.00 0.46 H new ATOM 0 HA VAL A 26 4.388 4.421 -2.261 1.00 0.48 H new ATOM 0 HB VAL A 26 2.110 4.678 -2.810 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.229 2.661 -1.500 1.00 1.59 H new ATOM 0 HG12 VAL A 26 2.916 2.444 -2.024 1.00 1.59 H new ATOM 0 HG13 VAL A 26 2.558 2.893 -0.339 1.00 1.59 H new ATOM 0 HG21 VAL A 26 0.269 4.789 -1.213 1.00 1.92 H new ATOM 0 HG22 VAL A 26 1.436 5.202 0.065 1.00 1.92 H new ATOM 0 HG23 VAL A 26 1.221 6.288 -1.328 1.00 1.92 H new ATOM 367 N ARG A 27 3.785 7.418 -1.153 1.00 0.43 N ATOM 368 CA ARG A 27 4.004 8.837 -1.432 1.00 0.45 C ATOM 369 C ARG A 27 5.445 9.061 -1.909 1.00 0.43 C ATOM 370 O ARG A 27 5.714 9.999 -2.652 1.00 0.53 O ATOM 371 CB ARG A 27 3.707 9.701 -0.189 1.00 0.44 C ATOM 372 CG ARG A 27 2.208 9.789 0.159 1.00 0.66 C ATOM 373 CD ARG A 27 1.912 10.416 1.527 1.00 0.91 C ATOM 374 NE ARG A 27 2.330 11.821 1.591 1.00 1.00 N ATOM 375 CZ ARG A 27 1.955 12.690 2.544 1.00 1.43 C ATOM 376 NH1 ARG A 27 1.145 12.313 3.541 1.00 2.39 N ATOM 377 NH2 ARG A 27 2.395 13.953 2.488 1.00 1.96 N ATOM 0 H ARG A 27 3.475 7.238 -0.198 1.00 0.43 H new ATOM 0 HA ARG A 27 3.317 9.141 -2.221 1.00 0.45 H new ATOM 0 HB2 ARG A 27 4.246 9.291 0.665 1.00 0.44 H new ATOM 0 HB3 ARG A 27 4.092 10.707 -0.356 1.00 0.44 H new ATOM 0 HG2 ARG A 27 1.702 10.371 -0.611 1.00 0.66 H new ATOM 0 HG3 ARG A 27 1.782 8.786 0.132 1.00 0.66 H new ATOM 0 HD2 ARG A 27 0.844 10.346 1.734 1.00 0.91 H new ATOM 0 HD3 ARG A 27 2.425 9.849 2.304 1.00 0.91 H new ATOM 0 HE ARG A 27 2.951 12.163 0.858 1.00 1.00 H new ATOM 0 HH11 ARG A 27 0.803 11.353 3.585 1.00 2.39 H new ATOM 0 HH12 ARG A 27 0.870 12.986 4.257 1.00 2.39 H new ATOM 0 HH21 ARG A 27 3.008 14.246 1.727 1.00 1.96 H new ATOM 0 HH22 ARG A 27 2.117 14.622 3.206 1.00 1.96 H new ATOM 391 N GLN A 28 6.367 8.191 -1.482 1.00 0.35 N ATOM 392 CA GLN A 28 7.769 8.244 -1.863 1.00 0.35 C ATOM 393 C GLN A 28 8.028 7.818 -3.313 1.00 0.30 C ATOM 394 O GLN A 28 9.144 8.002 -3.790 1.00 0.34 O ATOM 395 CB GLN A 28 8.611 7.453 -0.861 1.00 0.37 C ATOM 396 CG GLN A 28 8.367 5.939 -0.923 1.00 0.37 C ATOM 397 CD GLN A 28 9.041 5.246 0.255 1.00 0.46 C ATOM 398 OE1 GLN A 28 9.913 4.401 0.084 1.00 0.56 O ATOM 399 NE2 GLN A 28 8.653 5.618 1.470 1.00 0.59 N ATOM 0 H GLN A 28 6.149 7.420 -0.851 1.00 0.35 H new ATOM 0 HA GLN A 28 8.077 9.289 -1.827 1.00 0.35 H new ATOM 0 HB2 GLN A 28 9.666 7.652 -1.047 1.00 0.37 H new ATOM 0 HB3 GLN A 28 8.393 7.808 0.146 1.00 0.37 H new ATOM 0 HG2 GLN A 28 7.296 5.735 -0.909 1.00 0.37 H new ATOM 0 HG3 GLN A 28 8.755 5.539 -1.860 1.00 0.37 H new ATOM 0 HE21 GLN A 28 7.925 6.324 1.579 1.00 0.59 H new ATOM 0 HE22 GLN A 28 9.083 5.198 2.294 1.00 0.59 H new ATOM 408 N LEU A 29 7.058 7.173 -3.975 1.00 0.26 N ATOM 409 CA LEU A 29 7.170 6.738 -5.359 1.00 0.26 C ATOM 410 C LEU A 29 7.224 7.953 -6.295 1.00 0.29 C ATOM 411 O LEU A 29 8.215 8.675 -6.332 1.00 0.41 O ATOM 412 CB LEU A 29 6.026 5.760 -5.678 1.00 0.28 C ATOM 413 CG LEU A 29 5.946 4.461 -4.843 1.00 0.32 C ATOM 414 CD1 LEU A 29 6.036 3.254 -5.760 1.00 0.38 C ATOM 415 CD2 LEU A 29 6.973 4.218 -3.731 1.00 0.62 C ATOM 0 H LEU A 29 6.161 6.939 -3.550 1.00 0.26 H new ATOM 0 HA LEU A 29 8.103 6.197 -5.518 1.00 0.26 H new ATOM 0 HB2 LEU A 29 5.083 6.295 -5.560 1.00 0.28 H new ATOM 0 HB3 LEU A 29 6.105 5.481 -6.729 1.00 0.28 H new ATOM 0 HG LEU A 29 4.993 4.599 -4.332 1.00 0.32 H new ATOM 0 HD11 LEU A 29 5.979 2.341 -5.167 1.00 0.38 H new ATOM 0 HD12 LEU A 29 5.211 3.276 -6.472 1.00 0.38 H new ATOM 0 HD13 LEU A 29 6.982 3.277 -6.300 1.00 0.38 H new ATOM 0 HD21 LEU A 29 6.769 3.262 -3.250 1.00 0.62 H new ATOM 0 HD22 LEU A 29 7.975 4.202 -4.159 1.00 0.62 H new ATOM 0 HD23 LEU A 29 6.906 5.017 -2.993 1.00 0.62 H new ATOM 427 N ALA A 30 6.174 8.160 -7.086 1.00 0.28 N ATOM 428 CA ALA A 30 6.080 9.220 -8.081 1.00 0.29 C ATOM 429 C ALA A 30 4.717 9.123 -8.752 1.00 0.31 C ATOM 430 O ALA A 30 3.973 10.094 -8.826 1.00 0.33 O ATOM 431 CB ALA A 30 7.184 9.072 -9.138 1.00 0.37 C ATOM 0 H ALA A 30 5.340 7.575 -7.049 1.00 0.28 H new ATOM 0 HA ALA A 30 6.202 10.188 -7.595 1.00 0.29 H new ATOM 0 HB1 ALA A 30 7.095 9.874 -9.871 1.00 0.37 H new ATOM 0 HB2 ALA A 30 8.160 9.128 -8.655 1.00 0.37 H new ATOM 0 HB3 ALA A 30 7.082 8.109 -9.639 1.00 0.37 H new ATOM 437 N GLY A 31 4.405 7.921 -9.240 1.00 0.35 N ATOM 438 CA GLY A 31 3.198 7.692 -10.028 1.00 0.43 C ATOM 439 C GLY A 31 1.935 7.652 -9.169 1.00 0.43 C ATOM 440 O GLY A 31 0.832 7.865 -9.664 1.00 0.62 O ATOM 0 H GLY A 31 4.977 7.088 -9.101 1.00 0.35 H new ATOM 0 HA2 GLY A 31 3.101 8.480 -10.774 1.00 0.43 H new ATOM 0 HA3 GLY A 31 3.295 6.751 -10.569 1.00 0.43 H new ATOM 444 N VAL A 32 2.090 7.329 -7.885 1.00 0.32 N ATOM 445 CA VAL A 32 1.010 7.275 -6.912 1.00 0.34 C ATOM 446 C VAL A 32 0.269 8.615 -6.875 1.00 0.45 C ATOM 447 O VAL A 32 0.876 9.640 -6.576 1.00 0.71 O ATOM 448 CB VAL A 32 1.617 6.918 -5.546 1.00 0.32 C ATOM 449 CG1 VAL A 32 0.588 6.989 -4.408 1.00 0.48 C ATOM 450 CG2 VAL A 32 2.220 5.506 -5.612 1.00 0.28 C ATOM 0 H VAL A 32 2.998 7.092 -7.486 1.00 0.32 H new ATOM 0 HA VAL A 32 0.279 6.514 -7.185 1.00 0.34 H new ATOM 0 HB VAL A 32 2.390 7.654 -5.327 1.00 0.32 H new ATOM 0 HG11 VAL A 32 1.069 6.728 -3.466 1.00 0.48 H new ATOM 0 HG12 VAL A 32 0.187 8.000 -4.343 1.00 0.48 H new ATOM 0 HG13 VAL A 32 -0.224 6.289 -4.607 1.00 0.48 H new ATOM 0 HG21 VAL A 32 2.652 5.249 -4.645 1.00 0.28 H new ATOM 0 HG22 VAL A 32 1.439 4.788 -5.863 1.00 0.28 H new ATOM 0 HG23 VAL A 32 2.998 5.478 -6.375 1.00 0.28 H new ATOM 460 N ASN A 33 -1.042 8.597 -7.138 1.00 0.33 N ATOM 461 CA ASN A 33 -1.866 9.799 -7.147 1.00 0.43 C ATOM 462 C ASN A 33 -2.579 9.911 -5.809 1.00 0.37 C ATOM 463 O ASN A 33 -2.553 10.955 -5.163 1.00 0.63 O ATOM 464 CB ASN A 33 -2.939 9.725 -8.240 1.00 0.84 C ATOM 465 CG ASN A 33 -2.398 9.472 -9.637 1.00 0.84 C ATOM 466 OD1 ASN A 33 -1.589 10.240 -10.143 1.00 2.08 O ATOM 467 ND2 ASN A 33 -2.889 8.412 -10.269 1.00 0.78 N ATOM 0 H ASN A 33 -1.558 7.743 -7.351 1.00 0.33 H new ATOM 0 HA ASN A 33 -1.219 10.656 -7.333 1.00 0.43 H new ATOM 0 HB2 ASN A 33 -3.643 8.932 -7.987 1.00 0.84 H new ATOM 0 HB3 ASN A 33 -3.500 10.660 -8.245 1.00 0.84 H new ATOM 0 HD21 ASN A 33 -2.594 8.205 -11.223 1.00 0.78 H new ATOM 0 HD22 ASN A 33 -3.561 7.805 -9.800 1.00 0.78 H new ATOM 474 N GLN A 34 -3.267 8.832 -5.426 1.00 0.36 N ATOM 475 CA GLN A 34 -4.220 8.834 -4.330 1.00 0.45 C ATOM 476 C GLN A 34 -4.280 7.431 -3.737 1.00 0.54 C ATOM 477 O GLN A 34 -4.616 6.475 -4.424 1.00 1.17 O ATOM 478 CB GLN A 34 -5.582 9.354 -4.823 1.00 0.56 C ATOM 479 CG GLN A 34 -6.145 8.631 -6.058 1.00 1.67 C ATOM 480 CD GLN A 34 -6.787 9.591 -7.059 1.00 1.25 C ATOM 481 OE1 GLN A 34 -7.527 10.492 -6.679 1.00 1.33 O ATOM 482 NE2 GLN A 34 -6.508 9.417 -8.349 1.00 1.23 N ATOM 0 H GLN A 34 -3.171 7.923 -5.879 1.00 0.36 H new ATOM 0 HA GLN A 34 -3.909 9.511 -3.534 1.00 0.45 H new ATOM 0 HB2 GLN A 34 -6.303 9.268 -4.010 1.00 0.56 H new ATOM 0 HB3 GLN A 34 -5.487 10.415 -5.054 1.00 0.56 H new ATOM 0 HG2 GLN A 34 -5.342 8.082 -6.550 1.00 1.67 H new ATOM 0 HG3 GLN A 34 -6.885 7.897 -5.739 1.00 1.67 H new ATOM 0 HE21 GLN A 34 -5.889 8.660 -8.639 1.00 1.23 H new ATOM 0 HE22 GLN A 34 -6.913 10.041 -9.047 1.00 1.23 H new ATOM 491 N VAL A 35 -3.904 7.300 -2.468 1.00 0.30 N ATOM 492 CA VAL A 35 -3.840 6.047 -1.736 1.00 0.28 C ATOM 493 C VAL A 35 -4.909 6.073 -0.651 1.00 0.27 C ATOM 494 O VAL A 35 -5.052 7.088 0.031 1.00 0.44 O ATOM 495 CB VAL A 35 -2.415 5.848 -1.180 1.00 0.44 C ATOM 496 CG1 VAL A 35 -1.789 7.142 -0.630 1.00 1.17 C ATOM 497 CG2 VAL A 35 -2.370 4.782 -0.078 1.00 1.48 C ATOM 0 H VAL A 35 -3.624 8.101 -1.901 1.00 0.30 H new ATOM 0 HA VAL A 35 -4.042 5.193 -2.383 1.00 0.28 H new ATOM 0 HB VAL A 35 -1.830 5.518 -2.038 1.00 0.44 H new ATOM 0 HG11 VAL A 35 -0.788 6.931 -0.255 1.00 1.17 H new ATOM 0 HG12 VAL A 35 -1.729 7.884 -1.426 1.00 1.17 H new ATOM 0 HG13 VAL A 35 -2.406 7.529 0.181 1.00 1.17 H new ATOM 0 HG21 VAL A 35 -1.347 4.676 0.284 1.00 1.48 H new ATOM 0 HG22 VAL A 35 -3.017 5.083 0.746 1.00 1.48 H new ATOM 0 HG23 VAL A 35 -2.714 3.829 -0.480 1.00 1.48 H new ATOM 507 N GLN A 36 -5.652 4.974 -0.477 1.00 0.30 N ATOM 508 CA GLN A 36 -6.561 4.806 0.636 1.00 0.39 C ATOM 509 C GLN A 36 -6.090 3.589 1.444 1.00 0.32 C ATOM 510 O GLN A 36 -6.188 2.439 1.010 1.00 0.41 O ATOM 511 CB GLN A 36 -8.011 4.744 0.128 1.00 0.71 C ATOM 512 CG GLN A 36 -8.240 3.513 -0.743 1.00 1.59 C ATOM 513 CD GLN A 36 -9.516 3.527 -1.570 1.00 1.85 C ATOM 514 OE1 GLN A 36 -10.322 2.601 -1.461 1.00 2.68 O ATOM 515 NE2 GLN A 36 -9.685 4.526 -2.431 1.00 1.75 N ATOM 0 H GLN A 36 -5.631 4.178 -1.114 1.00 0.30 H new ATOM 0 HA GLN A 36 -6.552 5.657 1.317 1.00 0.39 H new ATOM 0 HB2 GLN A 36 -8.695 4.725 0.976 1.00 0.71 H new ATOM 0 HB3 GLN A 36 -8.237 5.644 -0.444 1.00 0.71 H new ATOM 0 HG2 GLN A 36 -7.391 3.403 -1.418 1.00 1.59 H new ATOM 0 HG3 GLN A 36 -8.253 2.632 -0.101 1.00 1.59 H new ATOM 0 HE21 GLN A 36 -8.992 5.273 -2.488 1.00 1.75 H new ATOM 0 HE22 GLN A 36 -10.507 4.546 -3.034 1.00 1.75 H new ATOM 524 N VAL A 37 -5.558 3.871 2.630 1.00 0.29 N ATOM 525 CA VAL A 37 -5.210 2.888 3.642 1.00 0.29 C ATOM 526 C VAL A 37 -6.407 2.792 4.592 1.00 0.29 C ATOM 527 O VAL A 37 -6.637 3.691 5.399 1.00 0.51 O ATOM 528 CB VAL A 37 -3.891 3.286 4.352 1.00 0.34 C ATOM 529 CG1 VAL A 37 -2.835 3.684 3.321 1.00 1.55 C ATOM 530 CG2 VAL A 37 -3.958 4.454 5.352 1.00 1.54 C ATOM 0 H VAL A 37 -5.351 4.827 2.920 1.00 0.29 H new ATOM 0 HA VAL A 37 -5.018 1.906 3.211 1.00 0.29 H new ATOM 0 HB VAL A 37 -3.651 2.388 4.921 1.00 0.34 H new ATOM 0 HG11 VAL A 37 -1.913 3.961 3.833 1.00 1.55 H new ATOM 0 HG12 VAL A 37 -2.641 2.843 2.655 1.00 1.55 H new ATOM 0 HG13 VAL A 37 -3.196 4.532 2.739 1.00 1.55 H new ATOM 0 HG21 VAL A 37 -2.969 4.628 5.776 1.00 1.54 H new ATOM 0 HG22 VAL A 37 -4.296 5.354 4.838 1.00 1.54 H new ATOM 0 HG23 VAL A 37 -4.657 4.209 6.152 1.00 1.54 H new ATOM 540 N LEU A 38 -7.216 1.732 4.494 1.00 0.32 N ATOM 541 CA LEU A 38 -8.330 1.551 5.393 1.00 0.34 C ATOM 542 C LEU A 38 -7.835 0.585 6.462 1.00 0.35 C ATOM 543 O LEU A 38 -8.071 -0.625 6.416 1.00 0.49 O ATOM 544 CB LEU A 38 -9.556 1.106 4.597 1.00 0.35 C ATOM 545 CG LEU A 38 -10.709 0.667 5.499 1.00 0.36 C ATOM 546 CD1 LEU A 38 -11.014 1.645 6.645 1.00 0.39 C ATOM 547 CD2 LEU A 38 -11.980 0.492 4.659 1.00 0.44 C ATOM 0 H LEU A 38 -7.110 0.994 3.798 1.00 0.32 H new ATOM 0 HA LEU A 38 -8.664 2.459 5.895 1.00 0.34 H new ATOM 0 HB2 LEU A 38 -9.889 1.925 3.960 1.00 0.35 H new ATOM 0 HB3 LEU A 38 -9.279 0.282 3.939 1.00 0.35 H new ATOM 0 HG LEU A 38 -10.393 -0.272 5.954 1.00 0.36 H new ATOM 0 HD11 LEU A 38 -11.844 1.262 7.239 1.00 0.39 H new ATOM 0 HD12 LEU A 38 -10.133 1.750 7.278 1.00 0.39 H new ATOM 0 HD13 LEU A 38 -11.282 2.617 6.232 1.00 0.39 H new ATOM 0 HD21 LEU A 38 -12.802 0.179 5.303 1.00 0.44 H new ATOM 0 HD22 LEU A 38 -12.234 1.438 4.181 1.00 0.44 H new ATOM 0 HD23 LEU A 38 -11.809 -0.266 3.894 1.00 0.44 H new ATOM 559 N PHE A 39 -7.103 1.163 7.418 1.00 0.79 N ATOM 560 CA PHE A 39 -6.653 0.489 8.621 1.00 1.08 C ATOM 561 C PHE A 39 -7.888 0.075 9.431 1.00 1.34 C ATOM 562 O PHE A 39 -8.315 0.788 10.335 1.00 2.48 O ATOM 563 CB PHE A 39 -5.710 1.418 9.410 1.00 1.78 C ATOM 564 CG PHE A 39 -5.344 0.970 10.801 1.00 0.83 C ATOM 565 CD1 PHE A 39 -5.303 -0.396 11.112 1.00 2.43 C ATOM 566 CD2 PHE A 39 -5.124 1.927 11.810 1.00 2.01 C ATOM 567 CE1 PHE A 39 -5.331 -0.796 12.452 1.00 3.36 C ATOM 568 CE2 PHE A 39 -5.024 1.515 13.148 1.00 2.66 C ATOM 569 CZ PHE A 39 -5.184 0.158 13.474 1.00 3.05 C ATOM 0 H PHE A 39 -6.804 2.137 7.368 1.00 0.79 H new ATOM 0 HA PHE A 39 -6.085 -0.411 8.383 1.00 1.08 H new ATOM 0 HB2 PHE A 39 -4.791 1.540 8.837 1.00 1.78 H new ATOM 0 HB3 PHE A 39 -6.176 2.401 9.478 1.00 1.78 H new ATOM 0 HD1 PHE A 39 -5.250 -1.133 10.324 1.00 2.43 H new ATOM 0 HD2 PHE A 39 -5.033 2.973 11.556 1.00 2.01 H new ATOM 0 HE1 PHE A 39 -5.466 -1.838 12.702 1.00 3.36 H new ATOM 0 HE2 PHE A 39 -4.825 2.239 13.924 1.00 2.66 H new ATOM 0 HZ PHE A 39 -5.194 -0.152 14.509 1.00 3.05 H new ATOM 579 N ALA A 40 -8.466 -1.066 9.051 1.00 1.26 N ATOM 580 CA ALA A 40 -9.629 -1.711 9.649 1.00 1.40 C ATOM 581 C ALA A 40 -10.064 -2.888 8.775 1.00 1.09 C ATOM 582 O ALA A 40 -10.387 -3.949 9.295 1.00 1.26 O ATOM 583 CB ALA A 40 -10.801 -0.735 9.820 1.00 1.85 C ATOM 0 H ALA A 40 -8.105 -1.599 8.260 1.00 1.26 H new ATOM 0 HA ALA A 40 -9.344 -2.063 10.640 1.00 1.40 H new ATOM 0 HB1 ALA A 40 -11.646 -1.257 10.269 1.00 1.85 H new ATOM 0 HB2 ALA A 40 -10.498 0.088 10.467 1.00 1.85 H new ATOM 0 HB3 ALA A 40 -11.093 -0.342 8.846 1.00 1.85 H new ATOM 589 N THR A 41 -10.067 -2.701 7.449 1.00 0.83 N ATOM 590 CA THR A 41 -10.534 -3.700 6.483 1.00 0.58 C ATOM 591 C THR A 41 -9.344 -4.318 5.747 1.00 0.66 C ATOM 592 O THR A 41 -9.445 -4.620 4.561 1.00 1.25 O ATOM 593 CB THR A 41 -11.540 -3.030 5.531 1.00 0.67 C ATOM 594 OG1 THR A 41 -12.414 -2.222 6.296 1.00 0.88 O ATOM 595 CG2 THR A 41 -12.401 -4.019 4.737 1.00 1.03 C ATOM 0 H THR A 41 -9.740 -1.839 7.012 1.00 0.83 H new ATOM 0 HA THR A 41 -11.043 -4.520 6.990 1.00 0.58 H new ATOM 0 HB THR A 41 -10.951 -2.459 4.813 1.00 0.67 H new ATOM 0 HG1 THR A 41 -13.154 -1.915 5.731 1.00 0.88 H new ATOM 0 HG21 THR A 41 -13.084 -3.469 4.090 1.00 1.03 H new ATOM 0 HG22 THR A 41 -11.758 -4.655 4.129 1.00 1.03 H new ATOM 0 HG23 THR A 41 -12.975 -4.638 5.427 1.00 1.03 H new ATOM 603 N GLU A 42 -8.203 -4.415 6.447 1.00 0.56 N ATOM 604 CA GLU A 42 -6.913 -4.942 6.001 1.00 0.79 C ATOM 605 C GLU A 42 -6.561 -4.597 4.546 1.00 0.57 C ATOM 606 O GLU A 42 -5.827 -5.334 3.887 1.00 0.71 O ATOM 607 CB GLU A 42 -6.808 -6.448 6.307 1.00 1.27 C ATOM 608 CG GLU A 42 -7.888 -7.332 5.658 1.00 3.56 C ATOM 609 CD GLU A 42 -9.057 -7.615 6.596 1.00 4.46 C ATOM 610 OE1 GLU A 42 -8.860 -8.472 7.483 1.00 4.78 O ATOM 611 OE2 GLU A 42 -10.120 -6.984 6.411 1.00 5.37 O ATOM 0 H GLU A 42 -8.160 -4.101 7.416 1.00 0.56 H new ATOM 0 HA GLU A 42 -6.148 -4.427 6.582 1.00 0.79 H new ATOM 0 HB2 GLU A 42 -5.830 -6.800 5.980 1.00 1.27 H new ATOM 0 HB3 GLU A 42 -6.851 -6.586 7.387 1.00 1.27 H new ATOM 0 HG2 GLU A 42 -8.260 -6.843 4.758 1.00 3.56 H new ATOM 0 HG3 GLU A 42 -7.441 -8.276 5.346 1.00 3.56 H new ATOM 618 N LYS A 43 -7.063 -3.466 4.044 1.00 0.39 N ATOM 619 CA LYS A 43 -7.090 -3.178 2.628 1.00 0.45 C ATOM 620 C LYS A 43 -6.083 -2.078 2.377 1.00 0.33 C ATOM 621 O LYS A 43 -6.119 -1.029 3.028 1.00 0.48 O ATOM 622 CB LYS A 43 -8.515 -2.810 2.178 1.00 0.79 C ATOM 623 CG LYS A 43 -8.575 -2.200 0.767 1.00 1.26 C ATOM 624 CD LYS A 43 -8.561 -0.664 0.842 1.00 0.98 C ATOM 625 CE LYS A 43 -9.973 -0.080 0.979 1.00 0.58 C ATOM 626 NZ LYS A 43 -10.625 0.187 -0.321 1.00 1.33 N ATOM 0 H LYS A 43 -7.462 -2.726 4.622 1.00 0.39 H new ATOM 0 HA LYS A 43 -6.816 -4.050 2.035 1.00 0.45 H new ATOM 0 HB2 LYS A 43 -9.138 -3.704 2.206 1.00 0.79 H new ATOM 0 HB3 LYS A 43 -8.941 -2.102 2.889 1.00 0.79 H new ATOM 0 HG2 LYS A 43 -7.727 -2.549 0.178 1.00 1.26 H new ATOM 0 HG3 LYS A 43 -9.478 -2.537 0.257 1.00 1.26 H new ATOM 0 HD2 LYS A 43 -7.955 -0.348 1.691 1.00 0.98 H new ATOM 0 HD3 LYS A 43 -8.088 -0.262 -0.054 1.00 0.98 H new ATOM 0 HE2 LYS A 43 -10.591 -0.772 1.552 1.00 0.58 H new ATOM 0 HE3 LYS A 43 -9.921 0.848 1.549 1.00 0.58 H new ATOM 0 HZ1 LYS A 43 -11.651 0.284 -0.181 1.00 1.33 H new ATOM 0 HZ2 LYS A 43 -10.246 1.067 -0.725 1.00 1.33 H new ATOM 0 HZ3 LYS A 43 -10.437 -0.602 -0.972 1.00 1.33 H new ATOM 640 N LEU A 44 -5.219 -2.320 1.397 1.00 0.25 N ATOM 641 CA LEU A 44 -4.385 -1.295 0.813 1.00 0.30 C ATOM 642 C LEU A 44 -4.952 -0.992 -0.540 1.00 0.35 C ATOM 643 O LEU A 44 -5.098 -1.940 -1.296 1.00 0.49 O ATOM 644 CB LEU A 44 -2.945 -1.828 0.687 1.00 0.42 C ATOM 645 CG LEU A 44 -1.872 -0.943 1.325 1.00 0.56 C ATOM 646 CD1 LEU A 44 -1.280 -0.015 0.258 1.00 0.53 C ATOM 647 CD2 LEU A 44 -2.465 -0.156 2.493 1.00 1.30 C ATOM 0 H LEU A 44 -5.082 -3.244 0.987 1.00 0.25 H new ATOM 0 HA LEU A 44 -4.363 -0.394 1.426 1.00 0.30 H new ATOM 0 HB2 LEU A 44 -2.898 -2.817 1.143 1.00 0.42 H new ATOM 0 HB3 LEU A 44 -2.711 -1.953 -0.370 1.00 0.42 H new ATOM 0 HG LEU A 44 -1.068 -1.562 1.723 1.00 0.56 H new ATOM 0 HD11 LEU A 44 -0.515 0.617 0.709 1.00 0.53 H new ATOM 0 HD12 LEU A 44 -0.834 -0.613 -0.537 1.00 0.53 H new ATOM 0 HD13 LEU A 44 -2.069 0.611 -0.158 1.00 0.53 H new ATOM 0 HD21 LEU A 44 -1.692 0.470 2.939 1.00 1.30 H new ATOM 0 HD22 LEU A 44 -3.279 0.473 2.132 1.00 1.30 H new ATOM 0 HD23 LEU A 44 -2.848 -0.849 3.242 1.00 1.30 H new ATOM 659 N VAL A 45 -5.274 0.273 -0.844 1.00 0.28 N ATOM 660 CA VAL A 45 -5.518 0.674 -2.218 1.00 0.27 C ATOM 661 C VAL A 45 -4.673 1.870 -2.599 1.00 0.26 C ATOM 662 O VAL A 45 -4.563 2.818 -1.829 1.00 0.40 O ATOM 663 CB VAL A 45 -7.005 0.886 -2.507 1.00 0.35 C ATOM 664 CG1 VAL A 45 -7.268 1.817 -3.698 1.00 0.65 C ATOM 665 CG2 VAL A 45 -7.575 -0.472 -2.865 1.00 0.67 C ATOM 0 H VAL A 45 -5.369 1.022 -0.158 1.00 0.28 H new ATOM 0 HA VAL A 45 -5.207 -0.152 -2.858 1.00 0.27 H new ATOM 0 HB VAL A 45 -7.459 1.343 -1.627 1.00 0.35 H new ATOM 0 HG11 VAL A 45 -8.343 1.923 -3.847 1.00 0.65 H new ATOM 0 HG12 VAL A 45 -6.831 2.795 -3.498 1.00 0.65 H new ATOM 0 HG13 VAL A 45 -6.817 1.395 -4.596 1.00 0.65 H new ATOM 0 HG21 VAL A 45 -8.639 -0.375 -3.081 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -7.061 -0.862 -3.743 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -7.436 -1.157 -2.029 1.00 0.67 H new ATOM 675 N VAL A 46 -4.096 1.809 -3.797 1.00 0.24 N ATOM 676 CA VAL A 46 -3.201 2.795 -4.347 1.00 0.22 C ATOM 677 C VAL A 46 -3.666 3.056 -5.780 1.00 0.24 C ATOM 678 O VAL A 46 -3.596 2.156 -6.618 1.00 0.46 O ATOM 679 CB VAL A 46 -1.785 2.215 -4.248 1.00 0.31 C ATOM 680 CG1 VAL A 46 -0.754 3.177 -4.833 1.00 0.53 C ATOM 681 CG2 VAL A 46 -1.447 1.932 -2.775 1.00 0.33 C ATOM 0 H VAL A 46 -4.255 1.028 -4.433 1.00 0.24 H new ATOM 0 HA VAL A 46 -3.199 3.750 -3.821 1.00 0.22 H new ATOM 0 HB VAL A 46 -1.753 1.289 -4.821 1.00 0.31 H new ATOM 0 HG11 VAL A 46 0.241 2.739 -4.749 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -0.982 3.361 -5.883 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -0.783 4.119 -4.285 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -0.440 1.520 -2.705 1.00 0.33 H new ATOM 0 HG22 VAL A 46 -1.499 2.860 -2.205 1.00 0.33 H new ATOM 0 HG23 VAL A 46 -2.161 1.216 -2.369 1.00 0.33 H new ATOM 691 N ASP A 47 -4.153 4.274 -6.044 1.00 0.23 N ATOM 692 CA ASP A 47 -4.540 4.732 -7.370 1.00 0.27 C ATOM 693 C ASP A 47 -3.360 5.536 -7.923 1.00 0.21 C ATOM 694 O ASP A 47 -3.004 6.580 -7.363 1.00 0.31 O ATOM 695 CB ASP A 47 -5.862 5.523 -7.334 1.00 0.50 C ATOM 696 CG ASP A 47 -7.050 4.742 -7.887 1.00 1.37 C ATOM 697 OD1 ASP A 47 -7.065 4.564 -9.123 1.00 2.58 O ATOM 698 OD2 ASP A 47 -7.933 4.353 -7.086 1.00 2.03 O ATOM 0 H ASP A 47 -4.289 4.980 -5.320 1.00 0.23 H new ATOM 0 HA ASP A 47 -4.747 3.893 -8.035 1.00 0.27 H new ATOM 0 HB2 ASP A 47 -6.075 5.814 -6.305 1.00 0.50 H new ATOM 0 HB3 ASP A 47 -5.742 6.442 -7.907 1.00 0.50 H new ATOM 703 N ALA A 48 -2.710 5.011 -8.970 1.00 0.25 N ATOM 704 CA ALA A 48 -1.430 5.493 -9.480 1.00 0.30 C ATOM 705 C ALA A 48 -1.429 5.575 -11.008 1.00 0.43 C ATOM 706 O ALA A 48 -1.977 4.696 -11.674 1.00 0.59 O ATOM 707 CB ALA A 48 -0.321 4.535 -9.026 1.00 0.32 C ATOM 0 H ALA A 48 -3.075 4.217 -9.497 1.00 0.25 H new ATOM 0 HA ALA A 48 -1.259 6.495 -9.087 1.00 0.30 H new ATOM 0 HB1 ALA A 48 0.640 4.886 -9.402 1.00 0.32 H new ATOM 0 HB2 ALA A 48 -0.294 4.500 -7.937 1.00 0.32 H new ATOM 0 HB3 ALA A 48 -0.520 3.537 -9.416 1.00 0.32 H new ATOM 713 N ASP A 49 -0.770 6.593 -11.567 1.00 0.54 N ATOM 714 CA ASP A 49 -0.636 6.796 -13.009 1.00 0.76 C ATOM 715 C ASP A 49 0.535 5.962 -13.542 1.00 0.73 C ATOM 716 O ASP A 49 1.471 6.497 -14.130 1.00 1.00 O ATOM 717 CB ASP A 49 -0.463 8.298 -13.329 1.00 1.07 C ATOM 718 CG ASP A 49 -1.772 9.067 -13.436 1.00 1.25 C ATOM 719 OD1 ASP A 49 -2.788 8.548 -12.924 1.00 1.42 O ATOM 720 OD2 ASP A 49 -1.742 10.158 -14.044 1.00 2.51 O ATOM 0 H ASP A 49 -0.305 7.314 -11.016 1.00 0.54 H new ATOM 0 HA ASP A 49 -1.545 6.461 -13.509 1.00 0.76 H new ATOM 0 HB2 ASP A 49 0.152 8.755 -12.553 1.00 1.07 H new ATOM 0 HB3 ASP A 49 0.082 8.398 -14.268 1.00 1.07 H new ATOM 725 N ASN A 50 0.465 4.641 -13.351 1.00 0.47 N ATOM 726 CA ASN A 50 1.381 3.621 -13.877 1.00 0.43 C ATOM 727 C ASN A 50 1.255 2.367 -13.023 1.00 0.60 C ATOM 728 O ASN A 50 0.861 2.478 -11.861 1.00 1.76 O ATOM 729 CB ASN A 50 2.864 4.052 -13.930 1.00 0.52 C ATOM 730 CG ASN A 50 3.462 4.612 -12.632 1.00 0.60 C ATOM 731 OD1 ASN A 50 4.508 5.250 -12.661 1.00 1.41 O ATOM 732 ND2 ASN A 50 2.860 4.373 -11.470 1.00 0.62 N ATOM 0 H ASN A 50 -0.280 4.228 -12.789 1.00 0.47 H new ATOM 0 HA ASN A 50 1.085 3.446 -14.911 1.00 0.43 H new ATOM 0 HB2 ASN A 50 3.459 3.191 -14.236 1.00 0.52 H new ATOM 0 HB3 ASN A 50 2.972 4.807 -14.709 1.00 0.52 H new ATOM 0 HD21 ASN A 50 3.269 4.721 -10.603 1.00 0.62 H new ATOM 0 HD22 ASN A 50 1.989 3.842 -11.446 1.00 0.62 H new ATOM 739 N ASP A 51 1.642 1.200 -13.548 1.00 0.73 N ATOM 740 CA ASP A 51 1.763 0.021 -12.707 1.00 0.62 C ATOM 741 C ASP A 51 3.036 0.110 -11.876 1.00 0.47 C ATOM 742 O ASP A 51 4.124 0.244 -12.433 1.00 0.58 O ATOM 743 CB ASP A 51 1.737 -1.282 -13.502 1.00 0.82 C ATOM 744 CG ASP A 51 1.466 -2.399 -12.508 1.00 2.03 C ATOM 745 OD1 ASP A 51 2.384 -2.753 -11.739 1.00 2.93 O ATOM 746 OD2 ASP A 51 0.281 -2.808 -12.448 1.00 3.21 O ATOM 0 H ASP A 51 1.871 1.054 -14.531 1.00 0.73 H new ATOM 0 HA ASP A 51 0.892 0.002 -12.052 1.00 0.62 H new ATOM 0 HB2 ASP A 51 0.963 -1.251 -14.269 1.00 0.82 H new ATOM 0 HB3 ASP A 51 2.686 -1.442 -14.013 1.00 0.82 H new ATOM 751 N ILE A 52 2.891 0.056 -10.550 1.00 0.35 N ATOM 752 CA ILE A 52 4.009 0.074 -9.617 1.00 0.31 C ATOM 753 C ILE A 52 3.679 -0.850 -8.440 1.00 0.25 C ATOM 754 O ILE A 52 4.110 -0.617 -7.310 1.00 0.27 O ATOM 755 CB ILE A 52 4.358 1.528 -9.207 1.00 0.38 C ATOM 756 CG1 ILE A 52 3.143 2.424 -8.911 1.00 0.41 C ATOM 757 CG2 ILE A 52 5.205 2.216 -10.288 1.00 0.53 C ATOM 758 CD1 ILE A 52 2.382 2.027 -7.652 1.00 0.47 C ATOM 0 H ILE A 52 1.981 -0.002 -10.093 1.00 0.35 H new ATOM 0 HA ILE A 52 4.915 -0.311 -10.085 1.00 0.31 H new ATOM 0 HB ILE A 52 4.914 1.417 -8.276 1.00 0.38 H new ATOM 0 HG12 ILE A 52 3.479 3.456 -8.811 1.00 0.41 H new ATOM 0 HG13 ILE A 52 2.463 2.391 -9.762 1.00 0.41 H new ATOM 0 HG21 ILE A 52 5.436 3.234 -9.976 1.00 0.53 H new ATOM 0 HG22 ILE A 52 6.132 1.661 -10.432 1.00 0.53 H new ATOM 0 HG23 ILE A 52 4.649 2.241 -11.225 1.00 0.53 H new ATOM 0 HD11 ILE A 52 1.539 2.703 -7.508 1.00 0.47 H new ATOM 0 HD12 ILE A 52 2.015 1.006 -7.756 1.00 0.47 H new ATOM 0 HD13 ILE A 52 3.047 2.087 -6.791 1.00 0.47 H new ATOM 770 N ARG A 53 2.916 -1.921 -8.690 1.00 0.28 N ATOM 771 CA ARG A 53 2.407 -2.756 -7.603 1.00 0.31 C ATOM 772 C ARG A 53 3.548 -3.428 -6.883 1.00 0.25 C ATOM 773 O ARG A 53 3.640 -3.353 -5.665 1.00 0.28 O ATOM 774 CB ARG A 53 1.443 -3.827 -8.092 1.00 0.38 C ATOM 775 CG ARG A 53 0.356 -3.152 -8.905 1.00 0.48 C ATOM 776 CD ARG A 53 -0.805 -4.091 -9.197 1.00 0.55 C ATOM 777 NE ARG A 53 -0.388 -5.474 -9.454 1.00 0.92 N ATOM 778 CZ ARG A 53 -0.228 -6.033 -10.661 1.00 1.86 C ATOM 779 NH1 ARG A 53 -0.172 -5.282 -11.765 1.00 2.87 N ATOM 780 NH2 ARG A 53 -0.132 -7.358 -10.769 1.00 2.28 N ATOM 0 H ARG A 53 2.642 -2.225 -9.624 1.00 0.28 H new ATOM 0 HA ARG A 53 1.866 -2.092 -6.929 1.00 0.31 H new ATOM 0 HB2 ARG A 53 1.969 -4.564 -8.699 1.00 0.38 H new ATOM 0 HB3 ARG A 53 1.009 -4.362 -7.247 1.00 0.38 H new ATOM 0 HG2 ARG A 53 -0.011 -2.279 -8.365 1.00 0.48 H new ATOM 0 HG3 ARG A 53 0.776 -2.793 -9.844 1.00 0.48 H new ATOM 0 HD2 ARG A 53 -1.494 -4.078 -8.352 1.00 0.55 H new ATOM 0 HD3 ARG A 53 -1.355 -3.719 -10.062 1.00 0.55 H new ATOM 0 HE ARG A 53 -0.203 -6.062 -8.641 1.00 0.92 H new ATOM 0 HH11 ARG A 53 -0.251 -4.267 -11.696 1.00 2.87 H new ATOM 0 HH12 ARG A 53 -0.050 -5.723 -12.676 1.00 2.87 H new ATOM 0 HH21 ARG A 53 -0.180 -7.943 -9.935 1.00 2.28 H new ATOM 0 HH22 ARG A 53 -0.010 -7.787 -11.686 1.00 2.28 H new ATOM 794 N ALA A 54 4.442 -4.043 -7.655 1.00 0.23 N ATOM 795 CA ALA A 54 5.655 -4.639 -7.133 1.00 0.23 C ATOM 796 C ALA A 54 6.468 -3.602 -6.359 1.00 0.20 C ATOM 797 O ALA A 54 7.166 -3.948 -5.408 1.00 0.21 O ATOM 798 CB ALA A 54 6.469 -5.211 -8.291 1.00 0.29 C ATOM 0 H ALA A 54 4.338 -4.139 -8.665 1.00 0.23 H new ATOM 0 HA ALA A 54 5.399 -5.444 -6.444 1.00 0.23 H new ATOM 0 HB1 ALA A 54 7.384 -5.661 -7.905 1.00 0.29 H new ATOM 0 HB2 ALA A 54 5.882 -5.969 -8.809 1.00 0.29 H new ATOM 0 HB3 ALA A 54 6.724 -4.411 -8.987 1.00 0.29 H new ATOM 804 N GLN A 55 6.377 -2.326 -6.755 1.00 0.20 N ATOM 805 CA GLN A 55 7.112 -1.275 -6.086 1.00 0.21 C ATOM 806 C GLN A 55 6.499 -1.014 -4.716 1.00 0.20 C ATOM 807 O GLN A 55 7.212 -1.016 -3.708 1.00 0.24 O ATOM 808 CB GLN A 55 7.181 -0.012 -6.961 1.00 0.27 C ATOM 809 CG GLN A 55 8.619 0.411 -7.287 1.00 0.49 C ATOM 810 CD GLN A 55 9.137 -0.294 -8.535 1.00 1.66 C ATOM 811 OE1 GLN A 55 9.796 -1.324 -8.450 1.00 3.20 O ATOM 812 NE2 GLN A 55 8.841 0.260 -9.708 1.00 1.36 N ATOM 0 H GLN A 55 5.800 -2.009 -7.534 1.00 0.20 H new ATOM 0 HA GLN A 55 8.143 -1.592 -5.929 1.00 0.21 H new ATOM 0 HB2 GLN A 55 6.641 -0.190 -7.891 1.00 0.27 H new ATOM 0 HB3 GLN A 55 6.674 0.806 -6.450 1.00 0.27 H new ATOM 0 HG2 GLN A 55 8.658 1.490 -7.435 1.00 0.49 H new ATOM 0 HG3 GLN A 55 9.268 0.181 -6.442 1.00 0.49 H new ATOM 0 HE21 GLN A 55 8.290 1.118 -9.742 1.00 1.36 H new ATOM 0 HE22 GLN A 55 9.165 -0.173 -10.573 1.00 1.36 H new ATOM 821 N VAL A 56 5.178 -0.815 -4.667 1.00 0.21 N ATOM 822 CA VAL A 56 4.525 -0.564 -3.399 1.00 0.20 C ATOM 823 C VAL A 56 4.737 -1.797 -2.510 1.00 0.20 C ATOM 824 O VAL A 56 5.149 -1.677 -1.359 1.00 0.22 O ATOM 825 CB VAL A 56 3.034 -0.339 -3.653 1.00 0.22 C ATOM 826 CG1 VAL A 56 2.314 -0.289 -2.299 1.00 0.37 C ATOM 827 CG2 VAL A 56 2.778 0.955 -4.430 1.00 0.43 C ATOM 0 H VAL A 56 4.559 -0.824 -5.478 1.00 0.21 H new ATOM 0 HA VAL A 56 4.935 0.318 -2.907 1.00 0.20 H new ATOM 0 HB VAL A 56 2.654 -1.160 -4.261 1.00 0.22 H new ATOM 0 HG11 VAL A 56 1.248 -0.129 -2.460 1.00 0.37 H new ATOM 0 HG12 VAL A 56 2.464 -1.231 -1.772 1.00 0.37 H new ATOM 0 HG13 VAL A 56 2.718 0.529 -1.702 1.00 0.37 H new ATOM 0 HG21 VAL A 56 1.707 1.078 -4.590 1.00 0.43 H new ATOM 0 HG22 VAL A 56 3.159 1.803 -3.861 1.00 0.43 H new ATOM 0 HG23 VAL A 56 3.285 0.907 -5.394 1.00 0.43 H new ATOM 837 N GLU A 57 4.464 -2.990 -3.053 1.00 0.20 N ATOM 838 CA GLU A 57 4.694 -4.243 -2.358 1.00 0.21 C ATOM 839 C GLU A 57 6.105 -4.298 -1.788 1.00 0.20 C ATOM 840 O GLU A 57 6.223 -4.451 -0.581 1.00 0.24 O ATOM 841 CB GLU A 57 4.323 -5.458 -3.220 1.00 0.28 C ATOM 842 CG GLU A 57 5.030 -6.756 -2.793 1.00 0.34 C ATOM 843 CD GLU A 57 4.274 -8.033 -3.150 1.00 1.40 C ATOM 844 OE1 GLU A 57 3.163 -7.933 -3.716 1.00 2.74 O ATOM 845 OE2 GLU A 57 4.817 -9.100 -2.789 1.00 2.28 O ATOM 0 H GLU A 57 4.077 -3.104 -3.990 1.00 0.20 H new ATOM 0 HA GLU A 57 4.019 -4.289 -1.504 1.00 0.21 H new ATOM 0 HB2 GLU A 57 3.245 -5.610 -3.174 1.00 0.28 H new ATOM 0 HB3 GLU A 57 4.571 -5.244 -4.260 1.00 0.28 H new ATOM 0 HG2 GLU A 57 6.015 -6.789 -3.259 1.00 0.34 H new ATOM 0 HG3 GLU A 57 5.188 -6.731 -1.715 1.00 0.34 H new ATOM 852 N SER A 58 7.167 -4.154 -2.588 1.00 0.19 N ATOM 853 CA SER A 58 8.530 -4.243 -2.060 1.00 0.24 C ATOM 854 C SER A 58 8.714 -3.292 -0.870 1.00 0.23 C ATOM 855 O SER A 58 9.282 -3.672 0.157 1.00 0.27 O ATOM 856 CB SER A 58 9.582 -3.972 -3.147 1.00 0.33 C ATOM 857 OG SER A 58 10.866 -4.413 -2.708 1.00 0.69 O ATOM 0 H SER A 58 7.110 -3.978 -3.591 1.00 0.19 H new ATOM 0 HA SER A 58 8.681 -5.265 -1.711 1.00 0.24 H new ATOM 0 HB2 SER A 58 9.307 -4.488 -4.067 1.00 0.33 H new ATOM 0 HB3 SER A 58 9.613 -2.907 -3.376 1.00 0.33 H new ATOM 0 HG SER A 58 11.563 -3.922 -3.191 1.00 0.69 H new ATOM 863 N ALA A 59 8.215 -2.059 -1.002 1.00 0.21 N ATOM 864 CA ALA A 59 8.266 -1.073 0.067 1.00 0.22 C ATOM 865 C ALA A 59 7.567 -1.581 1.328 1.00 0.21 C ATOM 866 O ALA A 59 8.129 -1.512 2.416 1.00 0.26 O ATOM 867 CB ALA A 59 7.624 0.233 -0.400 1.00 0.24 C ATOM 0 H ALA A 59 7.766 -1.723 -1.854 1.00 0.21 H new ATOM 0 HA ALA A 59 9.313 -0.895 0.314 1.00 0.22 H new ATOM 0 HB1 ALA A 59 7.665 0.967 0.405 1.00 0.24 H new ATOM 0 HB2 ALA A 59 8.164 0.614 -1.267 1.00 0.24 H new ATOM 0 HB3 ALA A 59 6.584 0.051 -0.672 1.00 0.24 H new ATOM 873 N LEU A 60 6.339 -2.082 1.197 1.00 0.19 N ATOM 874 CA LEU A 60 5.540 -2.565 2.315 1.00 0.20 C ATOM 875 C LEU A 60 6.185 -3.797 2.953 1.00 0.22 C ATOM 876 O LEU A 60 6.237 -3.931 4.177 1.00 0.28 O ATOM 877 CB LEU A 60 4.136 -2.891 1.801 1.00 0.20 C ATOM 878 CG LEU A 60 3.324 -1.659 1.418 1.00 0.40 C ATOM 879 CD1 LEU A 60 2.076 -2.090 0.649 1.00 1.06 C ATOM 880 CD2 LEU A 60 2.895 -0.848 2.639 1.00 0.98 C ATOM 0 H LEU A 60 5.867 -2.163 0.296 1.00 0.19 H new ATOM 0 HA LEU A 60 5.481 -1.795 3.084 1.00 0.20 H new ATOM 0 HB2 LEU A 60 4.219 -3.545 0.933 1.00 0.20 H new ATOM 0 HB3 LEU A 60 3.597 -3.447 2.569 1.00 0.20 H new ATOM 0 HG LEU A 60 3.962 -1.027 0.800 1.00 0.40 H new ATOM 0 HD11 LEU A 60 1.495 -1.209 0.375 1.00 1.06 H new ATOM 0 HD12 LEU A 60 2.371 -2.625 -0.254 1.00 1.06 H new ATOM 0 HD13 LEU A 60 1.470 -2.744 1.276 1.00 1.06 H new ATOM 0 HD21 LEU A 60 2.319 0.019 2.316 1.00 0.98 H new ATOM 0 HD22 LEU A 60 2.280 -1.469 3.291 1.00 0.98 H new ATOM 0 HD23 LEU A 60 3.779 -0.515 3.183 1.00 0.98 H new ATOM 892 N GLN A 61 6.692 -4.694 2.114 1.00 0.21 N ATOM 893 CA GLN A 61 7.437 -5.867 2.543 1.00 0.29 C ATOM 894 C GLN A 61 8.607 -5.426 3.417 1.00 0.33 C ATOM 895 O GLN A 61 8.766 -5.916 4.531 1.00 0.39 O ATOM 896 CB GLN A 61 7.898 -6.685 1.322 1.00 0.33 C ATOM 897 CG GLN A 61 7.439 -8.150 1.374 1.00 0.45 C ATOM 898 CD GLN A 61 7.145 -8.677 -0.027 1.00 1.07 C ATOM 899 OE1 GLN A 61 8.058 -8.845 -0.831 1.00 2.43 O ATOM 900 NE2 GLN A 61 5.870 -8.909 -0.324 1.00 0.70 N ATOM 0 H GLN A 61 6.594 -4.623 1.101 1.00 0.21 H new ATOM 0 HA GLN A 61 6.797 -6.519 3.138 1.00 0.29 H new ATOM 0 HB2 GLN A 61 7.513 -6.221 0.414 1.00 0.33 H new ATOM 0 HB3 GLN A 61 8.986 -6.653 1.259 1.00 0.33 H new ATOM 0 HG2 GLN A 61 8.211 -8.761 1.842 1.00 0.45 H new ATOM 0 HG3 GLN A 61 6.546 -8.234 1.994 1.00 0.45 H new ATOM 0 HE21 GLN A 61 5.147 -8.755 0.378 1.00 0.70 H new ATOM 0 HE22 GLN A 61 5.615 -9.242 -1.254 1.00 0.70 H new ATOM 909 N LYS A 62 9.401 -4.470 2.926 1.00 0.32 N ATOM 910 CA LYS A 62 10.506 -3.922 3.699 1.00 0.37 C ATOM 911 C LYS A 62 10.014 -3.264 4.994 1.00 0.41 C ATOM 912 O LYS A 62 10.585 -3.491 6.058 1.00 0.55 O ATOM 913 CB LYS A 62 11.291 -2.920 2.850 1.00 0.47 C ATOM 914 CG LYS A 62 12.135 -3.638 1.794 1.00 1.93 C ATOM 915 CD LYS A 62 12.673 -2.592 0.811 1.00 2.59 C ATOM 916 CE LYS A 62 13.808 -3.142 -0.063 1.00 4.38 C ATOM 917 NZ LYS A 62 13.373 -4.280 -0.902 1.00 6.37 N ATOM 0 H LYS A 62 9.295 -4.063 1.997 1.00 0.32 H new ATOM 0 HA LYS A 62 11.165 -4.744 3.980 1.00 0.37 H new ATOM 0 HB2 LYS A 62 10.601 -2.232 2.362 1.00 0.47 H new ATOM 0 HB3 LYS A 62 11.937 -2.322 3.492 1.00 0.47 H new ATOM 0 HG2 LYS A 62 12.959 -4.173 2.267 1.00 1.93 H new ATOM 0 HG3 LYS A 62 11.534 -4.379 1.268 1.00 1.93 H new ATOM 0 HD2 LYS A 62 11.861 -2.246 0.172 1.00 2.59 H new ATOM 0 HD3 LYS A 62 13.033 -1.726 1.367 1.00 2.59 H new ATOM 0 HE2 LYS A 62 14.188 -2.346 -0.704 1.00 4.38 H new ATOM 0 HE3 LYS A 62 14.633 -3.459 0.575 1.00 4.38 H new ATOM 0 HZ1 LYS A 62 14.117 -4.507 -1.592 1.00 6.37 H new ATOM 0 HZ2 LYS A 62 13.196 -5.108 -0.299 1.00 6.37 H new ATOM 0 HZ3 LYS A 62 12.499 -4.026 -1.406 1.00 6.37 H new ATOM 931 N ALA A 63 8.975 -2.431 4.896 1.00 0.33 N ATOM 932 CA ALA A 63 8.378 -1.740 6.034 1.00 0.38 C ATOM 933 C ALA A 63 7.968 -2.732 7.127 1.00 0.42 C ATOM 934 O ALA A 63 8.144 -2.446 8.310 1.00 0.51 O ATOM 935 CB ALA A 63 7.182 -0.899 5.579 1.00 0.37 C ATOM 0 H ALA A 63 8.520 -2.217 4.009 1.00 0.33 H new ATOM 0 HA ALA A 63 9.126 -1.071 6.459 1.00 0.38 H new ATOM 0 HB1 ALA A 63 6.747 -0.390 6.439 1.00 0.37 H new ATOM 0 HB2 ALA A 63 7.513 -0.160 4.849 1.00 0.37 H new ATOM 0 HB3 ALA A 63 6.433 -1.548 5.125 1.00 0.37 H new ATOM 941 N GLY A 64 7.437 -3.886 6.718 1.00 0.45 N ATOM 942 CA GLY A 64 7.193 -5.032 7.581 1.00 0.54 C ATOM 943 C GLY A 64 5.746 -5.498 7.485 1.00 0.57 C ATOM 944 O GLY A 64 5.090 -5.669 8.511 1.00 0.72 O ATOM 0 H GLY A 64 7.159 -4.048 5.750 1.00 0.45 H new ATOM 0 HA2 GLY A 64 7.860 -5.848 7.303 1.00 0.54 H new ATOM 0 HA3 GLY A 64 7.425 -4.769 8.613 1.00 0.54 H new ATOM 948 N TYR A 65 5.245 -5.709 6.264 1.00 0.49 N ATOM 949 CA TYR A 65 3.879 -6.159 6.028 1.00 0.59 C ATOM 950 C TYR A 65 3.855 -7.337 5.056 1.00 0.60 C ATOM 951 O TYR A 65 4.686 -7.416 4.153 1.00 0.89 O ATOM 952 CB TYR A 65 3.053 -4.999 5.467 1.00 0.69 C ATOM 953 CG TYR A 65 3.078 -3.725 6.293 1.00 0.72 C ATOM 954 CD1 TYR A 65 2.679 -3.747 7.640 1.00 1.63 C ATOM 955 CD2 TYR A 65 3.541 -2.521 5.728 1.00 2.06 C ATOM 956 CE1 TYR A 65 2.764 -2.581 8.419 1.00 1.71 C ATOM 957 CE2 TYR A 65 3.543 -1.335 6.482 1.00 2.10 C ATOM 958 CZ TYR A 65 3.156 -1.367 7.832 1.00 1.01 C ATOM 959 OH TYR A 65 3.211 -0.240 8.596 1.00 1.19 O ATOM 0 H TYR A 65 5.783 -5.570 5.409 1.00 0.49 H new ATOM 0 HA TYR A 65 3.450 -6.491 6.973 1.00 0.59 H new ATOM 0 HB2 TYR A 65 3.414 -4.769 4.464 1.00 0.69 H new ATOM 0 HB3 TYR A 65 2.018 -5.327 5.366 1.00 0.69 H new ATOM 0 HD1 TYR A 65 2.306 -4.662 8.077 1.00 1.63 H new ATOM 0 HD2 TYR A 65 3.897 -2.509 4.708 1.00 2.06 H new ATOM 0 HE1 TYR A 65 2.527 -2.618 9.472 1.00 1.71 H new ATOM 0 HE2 TYR A 65 3.841 -0.403 6.025 1.00 2.10 H new ATOM 0 HH TYR A 65 2.487 0.367 8.336 1.00 1.19 H new ATOM 969 N SER A 66 2.885 -8.238 5.225 1.00 0.66 N ATOM 970 CA SER A 66 2.613 -9.350 4.337 1.00 0.67 C ATOM 971 C SER A 66 1.371 -8.998 3.516 1.00 0.63 C ATOM 972 O SER A 66 0.377 -8.528 4.073 1.00 0.75 O ATOM 973 CB SER A 66 2.395 -10.596 5.199 1.00 0.84 C ATOM 974 OG SER A 66 1.475 -10.289 6.229 1.00 2.32 O ATOM 0 H SER A 66 2.246 -8.204 6.019 1.00 0.66 H new ATOM 0 HA SER A 66 3.436 -9.547 3.650 1.00 0.67 H new ATOM 0 HB2 SER A 66 2.016 -11.415 4.588 1.00 0.84 H new ATOM 0 HB3 SER A 66 3.341 -10.928 5.626 1.00 0.84 H new ATOM 0 HG SER A 66 0.863 -9.588 5.923 1.00 2.32 H new ATOM 980 N LEU A 67 1.456 -9.197 2.200 1.00 0.73 N ATOM 981 CA LEU A 67 0.429 -8.950 1.207 1.00 0.68 C ATOM 982 C LEU A 67 0.730 -9.848 0.012 1.00 0.63 C ATOM 983 O LEU A 67 1.813 -10.431 -0.042 1.00 0.55 O ATOM 984 CB LEU A 67 0.419 -7.472 0.817 1.00 0.53 C ATOM 985 CG LEU A 67 1.827 -6.936 0.514 1.00 0.45 C ATOM 986 CD1 LEU A 67 1.948 -6.459 -0.918 1.00 0.98 C ATOM 987 CD2 LEU A 67 2.146 -5.765 1.440 1.00 1.48 C ATOM 0 H LEU A 67 2.310 -9.562 1.777 1.00 0.73 H new ATOM 0 HA LEU A 67 -0.563 -9.179 1.597 1.00 0.68 H new ATOM 0 HB2 LEU A 67 -0.215 -7.335 -0.059 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -0.023 -6.889 1.625 1.00 0.53 H new ATOM 0 HG LEU A 67 2.528 -7.755 0.673 1.00 0.45 H new ATOM 0 HD11 LEU A 67 2.958 -6.087 -1.094 1.00 0.98 H new ATOM 0 HD12 LEU A 67 1.743 -7.288 -1.596 1.00 0.98 H new ATOM 0 HD13 LEU A 67 1.230 -5.658 -1.097 1.00 0.98 H new ATOM 0 HD21 LEU A 67 3.145 -5.389 1.220 1.00 1.48 H new ATOM 0 HD22 LEU A 67 1.417 -4.970 1.285 1.00 1.48 H new ATOM 0 HD23 LEU A 67 2.104 -6.099 2.477 1.00 1.48 H new ATOM 999 N ARG A 68 -0.241 -10.011 -0.892 1.00 0.80 N ATOM 1000 CA ARG A 68 -0.189 -10.998 -1.962 1.00 0.89 C ATOM 1001 C ARG A 68 -0.797 -10.408 -3.237 1.00 1.32 C ATOM 1002 O ARG A 68 -1.906 -10.804 -3.587 1.00 2.50 O ATOM 1003 CB ARG A 68 -0.969 -12.259 -1.539 1.00 0.92 C ATOM 1004 CG ARG A 68 -0.644 -12.781 -0.134 1.00 0.57 C ATOM 1005 CD ARG A 68 -0.779 -14.310 -0.101 1.00 1.13 C ATOM 1006 NE ARG A 68 -0.566 -14.855 1.251 1.00 1.80 N ATOM 1007 CZ ARG A 68 -0.714 -16.150 1.581 1.00 2.82 C ATOM 1008 NH1 ARG A 68 -1.045 -17.042 0.640 1.00 3.32 N ATOM 1009 NH2 ARG A 68 -0.534 -16.549 2.845 1.00 3.88 N ATOM 0 H ARG A 68 -1.094 -9.451 -0.897 1.00 0.80 H new ATOM 0 HA ARG A 68 0.849 -11.269 -2.157 1.00 0.89 H new ATOM 0 HB2 ARG A 68 -2.036 -12.043 -1.592 1.00 0.92 H new ATOM 0 HB3 ARG A 68 -0.768 -13.051 -2.260 1.00 0.92 H new ATOM 0 HG2 ARG A 68 0.368 -12.490 0.146 1.00 0.57 H new ATOM 0 HG3 ARG A 68 -1.318 -12.332 0.595 1.00 0.57 H new ATOM 0 HD2 ARG A 68 -1.770 -14.594 -0.454 1.00 1.13 H new ATOM 0 HD3 ARG A 68 -0.057 -14.752 -0.788 1.00 1.13 H new ATOM 0 HE ARG A 68 -0.287 -14.206 1.987 1.00 1.80 H new ATOM 0 HH11 ARG A 68 -1.184 -16.739 -0.324 1.00 3.32 H new ATOM 0 HH12 ARG A 68 -1.158 -18.025 0.887 1.00 3.32 H new ATOM 0 HH21 ARG A 68 -0.283 -15.870 3.563 1.00 3.88 H new ATOM 0 HH22 ARG A 68 -0.647 -17.533 3.090 1.00 3.88 H new ATOM 1023 N ASP A 69 -0.090 -9.467 -3.884 1.00 0.61 N ATOM 1024 CA ASP A 69 -0.478 -8.744 -5.104 1.00 0.78 C ATOM 1025 C ASP A 69 -1.931 -8.958 -5.530 1.00 0.66 C ATOM 1026 O ASP A 69 -2.218 -9.722 -6.452 1.00 1.09 O ATOM 1027 CB ASP A 69 0.455 -9.130 -6.253 1.00 1.05 C ATOM 1028 CG ASP A 69 0.200 -8.273 -7.484 1.00 1.83 C ATOM 1029 OD1 ASP A 69 -0.030 -7.056 -7.323 1.00 3.19 O ATOM 1030 OD2 ASP A 69 0.250 -8.821 -8.606 1.00 2.63 O ATOM 0 H ASP A 69 0.826 -9.173 -3.546 1.00 0.61 H new ATOM 0 HA ASP A 69 -0.387 -7.685 -4.864 1.00 0.78 H new ATOM 0 HB2 ASP A 69 1.492 -9.016 -5.936 1.00 1.05 H new ATOM 0 HB3 ASP A 69 0.312 -10.181 -6.503 1.00 1.05 H new ATOM 1035 N GLU A 70 -2.861 -8.338 -4.808 1.00 0.59 N ATOM 1036 CA GLU A 70 -4.260 -8.643 -5.009 1.00 0.65 C ATOM 1037 C GLU A 70 -4.748 -7.947 -6.278 1.00 0.61 C ATOM 1038 O GLU A 70 -4.170 -6.966 -6.747 1.00 0.80 O ATOM 1039 CB GLU A 70 -5.035 -8.247 -3.754 1.00 0.99 C ATOM 1040 CG GLU A 70 -6.522 -8.599 -3.703 1.00 0.52 C ATOM 1041 CD GLU A 70 -6.886 -10.049 -4.038 1.00 1.78 C ATOM 1042 OE1 GLU A 70 -6.731 -10.420 -5.219 1.00 3.05 O ATOM 1043 OE2 GLU A 70 -7.302 -10.781 -3.109 1.00 2.77 O ATOM 0 H GLU A 70 -2.669 -7.636 -4.094 1.00 0.59 H new ATOM 0 HA GLU A 70 -4.422 -9.710 -5.159 1.00 0.65 H new ATOM 0 HB2 GLU A 70 -4.549 -8.714 -2.897 1.00 0.99 H new ATOM 0 HB3 GLU A 70 -4.940 -7.169 -3.626 1.00 0.99 H new ATOM 0 HG2 GLU A 70 -6.893 -8.375 -2.703 1.00 0.52 H new ATOM 0 HG3 GLU A 70 -7.053 -7.944 -4.394 1.00 0.52 H new ATOM 1050 N GLN A 71 -5.815 -8.489 -6.849 1.00 0.70 N ATOM 1051 CA GLN A 71 -6.429 -7.958 -8.048 1.00 0.72 C ATOM 1052 C GLN A 71 -6.845 -6.495 -7.852 1.00 0.93 C ATOM 1053 O GLN A 71 -7.127 -6.054 -6.738 1.00 1.26 O ATOM 1054 CB GLN A 71 -7.617 -8.843 -8.450 1.00 0.91 C ATOM 1055 CG GLN A 71 -7.918 -8.827 -9.955 1.00 2.22 C ATOM 1056 CD GLN A 71 -6.844 -9.541 -10.775 1.00 4.09 C ATOM 1057 OE1 GLN A 71 -5.776 -8.838 -11.150 1.00 4.53 O flip ATOM 1058 NE2 GLN A 71 -6.963 -10.725 -11.073 1.00 5.73 N flip ATOM 0 H GLN A 71 -6.281 -9.320 -6.484 1.00 0.70 H new ATOM 0 HA GLN A 71 -5.702 -7.971 -8.860 1.00 0.72 H new ATOM 0 HB2 GLN A 71 -7.416 -9.868 -8.140 1.00 0.91 H new ATOM 0 HB3 GLN A 71 -8.503 -8.514 -7.908 1.00 0.91 H new ATOM 0 HG2 GLN A 71 -8.883 -9.302 -10.134 1.00 2.22 H new ATOM 0 HG3 GLN A 71 -8.003 -7.795 -10.294 1.00 2.22 H new ATOM 0 HE21 GLN A 71 -7.789 -11.245 -10.776 1.00 5.73 H new ATOM 0 HE22 GLN A 71 -6.236 -11.189 -11.618 1.00 5.73 H new ATOM 1067 N ALA A 72 -6.880 -5.738 -8.952 1.00 0.92 N ATOM 1068 CA ALA A 72 -7.230 -4.327 -8.960 1.00 1.14 C ATOM 1069 C ALA A 72 -8.587 -4.086 -8.292 1.00 1.41 C ATOM 1070 O ALA A 72 -8.669 -3.350 -7.307 1.00 2.23 O ATOM 1071 CB ALA A 72 -7.218 -3.824 -10.408 1.00 1.30 C ATOM 0 H ALA A 72 -6.660 -6.103 -9.879 1.00 0.92 H new ATOM 0 HA ALA A 72 -6.495 -3.768 -8.380 1.00 1.14 H new ATOM 0 HB1 ALA A 72 -7.479 -2.766 -10.428 1.00 1.30 H new ATOM 0 HB2 ALA A 72 -6.223 -3.960 -10.832 1.00 1.30 H new ATOM 0 HB3 ALA A 72 -7.943 -4.388 -10.995 1.00 1.30 H new ATOM 1077 N ALA A 73 -9.642 -4.699 -8.835 1.00 1.47 N ATOM 1078 CA ALA A 73 -11.011 -4.577 -8.348 1.00 1.63 C ATOM 1079 C ALA A 73 -11.845 -5.533 -9.192 1.00 1.77 C ATOM 1080 O ALA A 73 -12.590 -5.090 -10.066 1.00 2.46 O ATOM 1081 CB ALA A 73 -11.511 -3.132 -8.490 1.00 1.70 C ATOM 0 H ALA A 73 -9.561 -5.310 -9.648 1.00 1.47 H new ATOM 0 HA ALA A 73 -11.082 -4.825 -7.289 1.00 1.63 H new ATOM 0 HB1 ALA A 73 -12.534 -3.063 -8.121 1.00 1.70 H new ATOM 0 HB2 ALA A 73 -10.871 -2.467 -7.911 1.00 1.70 H new ATOM 0 HB3 ALA A 73 -11.483 -2.839 -9.539 1.00 1.70 H new ATOM 1087 N GLU A 74 -11.631 -6.831 -8.971 1.00 2.51 N ATOM 1088 CA GLU A 74 -11.873 -7.861 -9.963 1.00 2.95 C ATOM 1089 C GLU A 74 -11.169 -7.447 -11.269 1.00 3.66 C ATOM 1090 O GLU A 74 -10.126 -6.753 -11.152 1.00 4.39 O ATOM 1091 CB GLU A 74 -13.382 -8.158 -10.072 1.00 3.53 C ATOM 1092 CG GLU A 74 -13.922 -8.918 -8.842 1.00 4.16 C ATOM 1093 CD GLU A 74 -13.744 -8.174 -7.519 1.00 4.76 C ATOM 1094 OE1 GLU A 74 -14.654 -7.386 -7.180 1.00 5.13 O ATOM 1095 OE2 GLU A 74 -12.702 -8.406 -6.865 1.00 5.73 O ATOM 1096 OXT GLU A 74 -11.654 -7.848 -12.349 1.00 4.30 O ATOM 0 H GLU A 74 -11.280 -7.193 -8.084 1.00 2.51 H new ATOM 0 HA GLU A 74 -11.440 -8.820 -9.677 1.00 2.95 H new ATOM 0 HB2 GLU A 74 -13.927 -7.221 -10.185 1.00 3.53 H new ATOM 0 HB3 GLU A 74 -13.570 -8.746 -10.970 1.00 3.53 H new ATOM 0 HG2 GLU A 74 -14.982 -9.122 -8.992 1.00 4.16 H new ATOM 0 HG3 GLU A 74 -13.418 -9.882 -8.775 1.00 4.16 H new TER 1103 GLU A 74