USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 531 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 Single : A 5 THR OG1 : rot -63:sc= 0.227 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 120:sc= -3.34 USER MOD Single : A 39 TYR OH : rot 30:sc= -0.87 USER MOD Single : A 41 SER OG : rot 32:sc= 1.12 USER MOD Single : A 46 ASN : amide:sc= -0.419 K(o=-0.42,f=-1.4) USER MOD Single : A 47 THR OG1 : rot 88:sc= 0.0483 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 66 LYS NZ :NH3+ -158:sc=-0.00821 (180deg=-0.168) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0802 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 97:sc= 1.16 USER MOD Single : A 78 ASN : amide:sc= -8.4! C(o=-8.4!,f=-11!) USER MOD Single : A 80 SER OG : rot -80:sc= -0.549 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 65.405 11.210 0.639 1.00 0.00 N ATOM 35 CA LEU A 3 65.316 9.949 -0.094 1.00 0.00 C ATOM 36 C LEU A 3 66.639 9.185 -0.002 1.00 0.00 C ATOM 37 O LEU A 3 67.467 9.466 0.865 1.00 0.00 O ATOM 38 CB LEU A 3 64.954 10.214 -1.559 1.00 0.00 C ATOM 39 CG LEU A 3 66.053 10.860 -2.405 1.00 0.00 C ATOM 40 CD1 LEU A 3 65.814 10.535 -3.882 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.018 12.376 -2.206 1.00 0.00 C ATOM 0 HA LEU A 3 64.532 9.339 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.673 9.268 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.074 10.857 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 3 67.025 10.473 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.596 10.994 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 3 65.833 9.455 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.843 10.924 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.800 12.840 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.046 12.761 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.183 12.609 -1.154 1.00 0.00 H new ATOM 53 N LEU A 4 66.826 8.205 -0.883 1.00 0.00 N ATOM 54 CA LEU A 4 68.051 7.405 -0.859 1.00 0.00 C ATOM 55 C LEU A 4 68.677 7.324 -2.249 1.00 0.00 C ATOM 56 O LEU A 4 68.057 7.696 -3.245 1.00 0.00 O ATOM 57 CB LEU A 4 67.735 5.990 -0.372 1.00 0.00 C ATOM 58 CG LEU A 4 68.879 5.278 0.364 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.325 4.522 1.573 1.00 0.00 C ATOM 60 CD2 LEU A 4 69.557 4.283 -0.581 1.00 0.00 C ATOM 0 H LEU A 4 66.159 7.948 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 4 68.757 7.886 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 4 66.872 6.036 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.445 5.384 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 4 69.604 6.020 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.140 4.018 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 4 67.842 5.225 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.597 3.783 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.369 3.779 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 4 68.828 3.545 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 4 69.958 4.816 -1.444 1.00 0.00 H new ATOM 72 N THR A 5 69.910 6.826 -2.307 1.00 0.00 N ATOM 73 CA THR A 5 70.601 6.696 -3.589 1.00 0.00 C ATOM 74 C THR A 5 71.429 5.417 -3.643 1.00 0.00 C ATOM 75 O THR A 5 71.498 4.652 -2.680 1.00 0.00 O ATOM 76 CB THR A 5 71.532 7.885 -3.828 1.00 0.00 C ATOM 77 OG1 THR A 5 72.261 8.163 -2.641 1.00 0.00 O ATOM 78 CG2 THR A 5 70.711 9.108 -4.222 1.00 0.00 C ATOM 0 H THR A 5 70.444 6.511 -1.497 1.00 0.00 H new ATOM 0 HA THR A 5 69.834 6.665 -4.363 1.00 0.00 H new ATOM 0 HB THR A 5 72.227 7.644 -4.632 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.640 8.430 -1.931 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.377 9.954 -4.392 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.156 8.895 -5.135 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.013 9.351 -3.421 1.00 0.00 H new ATOM 86 N LEU A 6 72.067 5.209 -4.790 1.00 0.00 N ATOM 87 CA LEU A 6 72.913 4.038 -4.997 1.00 0.00 C ATOM 88 C LEU A 6 74.067 4.056 -4.006 1.00 0.00 C ATOM 89 O LEU A 6 74.220 3.158 -3.176 1.00 0.00 O ATOM 90 CB LEU A 6 73.467 4.054 -6.430 1.00 0.00 C ATOM 91 CG LEU A 6 74.582 3.045 -6.764 1.00 0.00 C ATOM 92 CD1 LEU A 6 75.930 3.566 -6.263 1.00 0.00 C ATOM 93 CD2 LEU A 6 74.283 1.684 -6.121 1.00 0.00 C ATOM 0 H LEU A 6 72.014 5.837 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 6 72.322 3.135 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 6 72.637 3.880 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 6 73.845 5.056 -6.635 1.00 0.00 H new ATOM 0 HG LEU A 6 74.624 2.923 -7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 6 76.711 2.845 -6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 6 76.154 4.518 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 6 75.887 3.707 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 6 75.080 0.983 -6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 6 74.221 1.799 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 6 73.335 1.303 -6.500 1.00 0.00 H new ATOM 105 N SER A 7 74.883 5.095 -4.120 1.00 0.00 N ATOM 106 CA SER A 7 76.052 5.262 -3.249 1.00 0.00 C ATOM 107 C SER A 7 75.680 5.113 -1.771 1.00 0.00 C ATOM 108 O SER A 7 76.508 4.721 -0.947 1.00 0.00 O ATOM 109 CB SER A 7 76.679 6.641 -3.469 1.00 0.00 C ATOM 110 OG SER A 7 77.732 6.531 -4.416 1.00 0.00 O ATOM 0 H SER A 7 74.762 5.839 -4.807 1.00 0.00 H new ATOM 0 HA SER A 7 76.766 4.480 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.926 7.343 -3.825 1.00 0.00 H new ATOM 0 HB3 SER A 7 77.061 7.034 -2.527 1.00 0.00 H new ATOM 0 HG SER A 7 78.135 7.412 -4.561 1.00 0.00 H new ATOM 116 N ASP A 8 74.430 5.430 -1.444 1.00 0.00 N ATOM 117 CA ASP A 8 73.969 5.328 -0.064 1.00 0.00 C ATOM 118 C ASP A 8 73.898 3.870 0.371 1.00 0.00 C ATOM 119 O ASP A 8 74.585 3.448 1.298 1.00 0.00 O ATOM 120 CB ASP A 8 72.577 5.945 0.085 1.00 0.00 C ATOM 121 CG ASP A 8 72.659 7.469 0.053 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.722 8.001 0.332 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.647 8.083 -0.247 1.00 0.00 O ATOM 0 H ASP A 8 73.727 5.756 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 8 74.681 5.866 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 8 71.929 5.593 -0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.127 5.619 1.023 1.00 0.00 H new ATOM 128 N LEU A 9 73.045 3.107 -0.301 1.00 0.00 N ATOM 129 CA LEU A 9 72.877 1.694 0.033 1.00 0.00 C ATOM 130 C LEU A 9 74.201 0.940 -0.072 1.00 0.00 C ATOM 131 O LEU A 9 74.441 -0.017 0.660 1.00 0.00 O ATOM 132 CB LEU A 9 71.860 1.041 -0.903 1.00 0.00 C ATOM 133 CG LEU A 9 71.614 -0.450 -0.654 1.00 0.00 C ATOM 134 CD1 LEU A 9 70.491 -0.621 0.371 1.00 0.00 C ATOM 135 CD2 LEU A 9 71.211 -1.127 -1.967 1.00 0.00 C ATOM 0 H LEU A 9 72.464 3.436 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 9 72.519 1.642 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 9 70.912 1.570 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.199 1.171 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 9 72.527 -0.908 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 9 70.317 -1.683 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 9 70.776 -0.140 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 9 69.578 -0.162 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 9 71.036 -2.188 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.299 -0.667 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 9 72.011 -1.008 -2.698 1.00 0.00 H new ATOM 147 N LEU A 10 75.049 1.372 -1.000 1.00 0.00 N ATOM 148 CA LEU A 10 76.339 0.715 -1.206 1.00 0.00 C ATOM 149 C LEU A 10 77.223 0.807 0.036 1.00 0.00 C ATOM 150 O LEU A 10 77.600 -0.211 0.614 1.00 0.00 O ATOM 151 CB LEU A 10 77.073 1.328 -2.401 1.00 0.00 C ATOM 152 CG LEU A 10 76.717 0.718 -3.763 1.00 0.00 C ATOM 153 CD1 LEU A 10 77.607 1.329 -4.847 1.00 0.00 C ATOM 154 CD2 LEU A 10 76.940 -0.797 -3.721 1.00 0.00 C ATOM 0 H LEU A 10 74.871 2.165 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 10 76.135 -0.337 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.858 2.396 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.146 1.223 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 10 75.671 0.927 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 10 77.353 0.895 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 10 77.451 2.407 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 10 78.652 1.121 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.687 -1.229 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.986 -1.005 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.307 -1.237 -2.951 1.00 0.00 H new ATOM 166 N THR A 11 77.566 2.032 0.437 1.00 0.00 N ATOM 167 CA THR A 11 78.426 2.227 1.611 1.00 0.00 C ATOM 168 C THR A 11 77.871 1.483 2.824 1.00 0.00 C ATOM 169 O THR A 11 78.599 0.809 3.552 1.00 0.00 O ATOM 170 CB THR A 11 78.595 3.732 1.915 1.00 0.00 C ATOM 171 OG1 THR A 11 79.777 3.926 2.679 1.00 0.00 O ATOM 172 CG2 THR A 11 77.396 4.304 2.688 1.00 0.00 C ATOM 0 H THR A 11 77.269 2.893 -0.023 1.00 0.00 H new ATOM 0 HA THR A 11 79.409 1.812 1.387 1.00 0.00 H new ATOM 0 HB THR A 11 78.660 4.258 0.962 1.00 0.00 H new ATOM 0 HG1 THR A 11 79.889 4.880 2.872 1.00 0.00 H new ATOM 0 HG21 THR A 11 77.559 5.365 2.879 1.00 0.00 H new ATOM 0 HG22 THR A 11 76.488 4.177 2.098 1.00 0.00 H new ATOM 0 HG23 THR A 11 77.289 3.777 3.636 1.00 0.00 H new ATOM 180 N LEU A 12 76.565 1.612 3.017 1.00 0.00 N ATOM 181 CA LEU A 12 75.892 0.947 4.133 1.00 0.00 C ATOM 182 C LEU A 12 76.121 -0.554 4.062 1.00 0.00 C ATOM 183 O LEU A 12 76.574 -1.178 5.019 1.00 0.00 O ATOM 184 CB LEU A 12 74.390 1.218 4.089 1.00 0.00 C ATOM 185 CG LEU A 12 74.010 2.696 4.073 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.640 2.884 3.402 1.00 0.00 C ATOM 187 CD2 LEU A 12 73.959 3.212 5.512 1.00 0.00 C ATOM 0 H LEU A 12 75.951 2.167 2.421 1.00 0.00 H new ATOM 0 HA LEU A 12 76.305 1.341 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 12 73.974 0.740 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 12 73.924 0.746 4.954 1.00 0.00 H new ATOM 0 HG LEU A 12 74.754 3.256 3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.380 3.942 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.683 2.516 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 12 71.884 2.327 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.688 4.268 5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.216 2.647 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.937 3.089 5.978 1.00 0.00 H new ATOM 199 N LEU A 13 75.809 -1.121 2.903 1.00 0.00 N ATOM 200 CA LEU A 13 75.989 -2.559 2.690 1.00 0.00 C ATOM 201 C LEU A 13 77.439 -2.957 2.958 1.00 0.00 C ATOM 202 O LEU A 13 77.713 -3.981 3.578 1.00 0.00 O ATOM 203 CB LEU A 13 75.610 -2.949 1.254 1.00 0.00 C ATOM 204 CG LEU A 13 74.530 -4.027 1.143 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.115 -4.187 -0.321 1.00 0.00 C ATOM 206 CD2 LEU A 13 75.083 -5.356 1.664 1.00 0.00 C ATOM 0 H LEU A 13 75.433 -0.616 2.100 1.00 0.00 H new ATOM 0 HA LEU A 13 75.334 -3.087 3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.268 -2.057 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.505 -3.298 0.739 1.00 0.00 H new ATOM 0 HG LEU A 13 73.663 -3.735 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.346 -4.955 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 13 73.722 -3.241 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 13 74.981 -4.479 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 13 74.315 -6.125 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.950 -5.647 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.379 -5.243 2.707 1.00 0.00 H new ATOM 218 N ARG A 14 78.360 -2.126 2.481 1.00 0.00 N ATOM 219 CA ARG A 14 79.784 -2.390 2.671 1.00 0.00 C ATOM 220 C ARG A 14 80.153 -2.274 4.146 1.00 0.00 C ATOM 221 O ARG A 14 80.811 -3.150 4.708 1.00 0.00 O ATOM 222 CB ARG A 14 80.633 -1.396 1.870 1.00 0.00 C ATOM 223 CG ARG A 14 80.110 -1.295 0.429 1.00 0.00 C ATOM 224 CD ARG A 14 81.191 -1.753 -0.554 1.00 0.00 C ATOM 225 NE ARG A 14 80.687 -1.716 -1.929 1.00 0.00 N ATOM 226 CZ ARG A 14 79.778 -2.592 -2.378 1.00 0.00 C ATOM 227 NH1 ARG A 14 79.301 -3.536 -1.602 1.00 0.00 N ATOM 228 NH2 ARG A 14 79.360 -2.505 -3.612 1.00 0.00 N ATOM 0 H ARG A 14 78.150 -1.272 1.965 1.00 0.00 H new ATOM 0 HA ARG A 14 79.984 -3.402 2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.604 -0.415 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 14 81.675 -1.717 1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 14 79.218 -1.910 0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 14 79.820 -0.267 0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 14 82.067 -1.111 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 14 81.511 -2.765 -0.305 1.00 0.00 H new ATOM 0 HE ARG A 14 81.039 -1.001 -2.565 1.00 0.00 H new ATOM 0 HH11 ARG A 14 79.622 -3.613 -0.637 1.00 0.00 H new ATOM 0 HH12 ARG A 14 78.609 -4.193 -1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 14 79.725 -1.775 -4.224 1.00 0.00 H new ATOM 0 HH22 ARG A 14 78.668 -3.167 -3.964 1.00 0.00 H new ATOM 242 N GLU A 15 79.723 -1.179 4.766 1.00 0.00 N ATOM 243 CA GLU A 15 80.013 -0.946 6.178 1.00 0.00 C ATOM 244 C GLU A 15 79.373 -2.029 7.044 1.00 0.00 C ATOM 245 O GLU A 15 79.985 -2.543 7.981 1.00 0.00 O ATOM 246 CB GLU A 15 79.476 0.427 6.604 1.00 0.00 C ATOM 247 CG GLU A 15 79.812 0.698 8.080 1.00 0.00 C ATOM 248 CD GLU A 15 80.737 1.907 8.192 1.00 0.00 C ATOM 249 OE1 GLU A 15 81.941 1.715 8.141 1.00 0.00 O ATOM 250 OE2 GLU A 15 80.228 3.007 8.329 1.00 0.00 O ATOM 0 H GLU A 15 79.177 -0.444 4.317 1.00 0.00 H new ATOM 0 HA GLU A 15 81.094 -0.975 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.910 1.205 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.397 0.464 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 15 78.896 0.877 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.290 -0.178 8.519 1.00 0.00 H new ATOM 257 N CYS A 16 78.130 -2.358 6.723 1.00 0.00 N ATOM 258 CA CYS A 16 77.392 -3.367 7.469 1.00 0.00 C ATOM 259 C CYS A 16 77.914 -4.761 7.143 1.00 0.00 C ATOM 260 O CYS A 16 77.938 -5.647 7.997 1.00 0.00 O ATOM 261 CB CYS A 16 75.911 -3.279 7.108 1.00 0.00 C ATOM 262 SG CYS A 16 74.896 -3.595 8.573 1.00 0.00 S ATOM 0 H CYS A 16 77.611 -1.941 5.950 1.00 0.00 H new ATOM 0 HA CYS A 16 77.525 -3.185 8.535 1.00 0.00 H new ATOM 0 HB2 CYS A 16 75.685 -2.292 6.705 1.00 0.00 H new ATOM 0 HB3 CYS A 16 75.675 -4.003 6.329 1.00 0.00 H new ATOM 0 HG CYS A 16 74.153 -2.557 8.818 1.00 0.00 H new ATOM 268 N ALA A 17 78.338 -4.942 5.896 1.00 0.00 N ATOM 269 CA ALA A 17 78.867 -6.234 5.458 1.00 0.00 C ATOM 270 C ALA A 17 80.067 -6.642 6.312 1.00 0.00 C ATOM 271 O ALA A 17 80.334 -7.828 6.503 1.00 0.00 O ATOM 272 CB ALA A 17 79.304 -6.167 3.994 1.00 0.00 C ATOM 0 H ALA A 17 78.327 -4.220 5.176 1.00 0.00 H new ATOM 0 HA ALA A 17 78.073 -6.973 5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 17 79.695 -7.137 3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 17 78.449 -5.906 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 17 80.080 -5.411 3.880 1.00 0.00 H new ATOM 417 N VAL A 29 77.375 -2.876 -10.175 1.00 0.00 N ATOM 418 CA VAL A 29 76.515 -4.010 -9.844 1.00 0.00 C ATOM 419 C VAL A 29 75.178 -3.520 -9.296 1.00 0.00 C ATOM 420 O VAL A 29 74.569 -4.159 -8.440 1.00 0.00 O ATOM 421 CB VAL A 29 77.186 -4.905 -8.801 1.00 0.00 C ATOM 422 CG1 VAL A 29 78.441 -5.540 -9.404 1.00 0.00 C ATOM 423 CG2 VAL A 29 77.577 -4.064 -7.583 1.00 0.00 C ATOM 0 HA VAL A 29 76.346 -4.583 -10.756 1.00 0.00 H new ATOM 0 HB VAL A 29 76.493 -5.689 -8.496 1.00 0.00 H new ATOM 0 HG11 VAL A 29 78.919 -6.178 -8.661 1.00 0.00 H new ATOM 0 HG12 VAL A 29 78.165 -6.139 -10.272 1.00 0.00 H new ATOM 0 HG13 VAL A 29 79.134 -4.756 -9.710 1.00 0.00 H new ATOM 0 HG21 VAL A 29 78.055 -4.701 -6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 29 78.270 -3.280 -7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.684 -3.611 -7.152 1.00 0.00 H new ATOM 433 N GLU A 30 74.733 -2.374 -9.803 1.00 0.00 N ATOM 434 CA GLU A 30 73.469 -1.795 -9.365 1.00 0.00 C ATOM 435 C GLU A 30 72.285 -2.667 -9.786 1.00 0.00 C ATOM 436 O GLU A 30 71.216 -2.623 -9.176 1.00 0.00 O ATOM 437 CB GLU A 30 73.305 -0.393 -9.953 1.00 0.00 C ATOM 438 CG GLU A 30 73.312 -0.449 -11.487 1.00 0.00 C ATOM 439 CD GLU A 30 74.680 -0.024 -12.015 1.00 0.00 C ATOM 440 OE1 GLU A 30 75.671 -0.495 -11.483 1.00 0.00 O ATOM 441 OE2 GLU A 30 74.715 0.768 -12.943 1.00 0.00 O ATOM 0 H GLU A 30 75.226 -1.832 -10.513 1.00 0.00 H new ATOM 0 HA GLU A 30 73.485 -1.738 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.371 0.047 -9.604 1.00 0.00 H new ATOM 0 HB3 GLU A 30 74.112 0.251 -9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.080 -1.459 -11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.538 0.206 -11.887 1.00 0.00 H new ATOM 448 N ASP A 31 72.491 -3.459 -10.835 1.00 0.00 N ATOM 449 CA ASP A 31 71.441 -4.339 -11.336 1.00 0.00 C ATOM 450 C ASP A 31 71.842 -5.806 -11.171 1.00 0.00 C ATOM 451 O ASP A 31 71.355 -6.680 -11.889 1.00 0.00 O ATOM 452 CB ASP A 31 71.169 -4.055 -12.814 1.00 0.00 C ATOM 453 CG ASP A 31 70.273 -2.827 -12.939 1.00 0.00 C ATOM 454 OD1 ASP A 31 70.755 -1.738 -12.673 1.00 0.00 O ATOM 455 OD2 ASP A 31 69.119 -2.994 -13.297 1.00 0.00 O ATOM 0 H ASP A 31 73.369 -3.509 -11.351 1.00 0.00 H new ATOM 0 HA ASP A 31 70.537 -4.148 -10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 31 72.108 -3.889 -13.342 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.690 -4.917 -13.279 1.00 0.00 H new ATOM 460 N VAL A 32 72.720 -6.068 -10.203 1.00 0.00 N ATOM 461 CA VAL A 32 73.165 -7.431 -9.934 1.00 0.00 C ATOM 462 C VAL A 32 72.555 -7.913 -8.622 1.00 0.00 C ATOM 463 O VAL A 32 72.631 -7.230 -7.601 1.00 0.00 O ATOM 464 CB VAL A 32 74.691 -7.489 -9.834 1.00 0.00 C ATOM 465 CG1 VAL A 32 75.144 -8.944 -9.713 1.00 0.00 C ATOM 466 CG2 VAL A 32 75.307 -6.866 -11.089 1.00 0.00 C ATOM 0 H VAL A 32 73.133 -5.359 -9.597 1.00 0.00 H new ATOM 0 HA VAL A 32 72.842 -8.073 -10.754 1.00 0.00 H new ATOM 0 HB VAL A 32 75.017 -6.935 -8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.231 -8.982 -9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.706 -9.388 -8.819 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.818 -9.501 -10.592 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.394 -6.907 -11.019 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.979 -7.420 -11.969 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.987 -5.827 -11.174 1.00 0.00 H new ATOM 476 N ALA A 33 71.934 -9.092 -8.658 1.00 0.00 N ATOM 477 CA ALA A 33 71.300 -9.644 -7.460 1.00 0.00 C ATOM 478 C ALA A 33 72.298 -9.760 -6.311 1.00 0.00 C ATOM 479 O ALA A 33 73.496 -9.944 -6.525 1.00 0.00 O ATOM 480 CB ALA A 33 70.714 -11.026 -7.744 1.00 0.00 C ATOM 0 H ALA A 33 71.856 -9.676 -9.490 1.00 0.00 H new ATOM 0 HA ALA A 33 70.502 -8.959 -7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.248 -11.417 -6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.966 -10.949 -8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.509 -11.700 -8.062 1.00 0.00 H new ATOM 486 N PHE A 34 71.785 -9.653 -5.086 1.00 0.00 N ATOM 487 CA PHE A 34 72.631 -9.746 -3.894 1.00 0.00 C ATOM 488 C PHE A 34 73.400 -11.065 -3.876 1.00 0.00 C ATOM 489 O PHE A 34 74.514 -11.145 -3.359 1.00 0.00 O ATOM 490 CB PHE A 34 71.781 -9.651 -2.625 1.00 0.00 C ATOM 491 CG PHE A 34 71.134 -8.288 -2.546 1.00 0.00 C ATOM 492 CD1 PHE A 34 71.929 -7.138 -2.447 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.741 -8.173 -2.572 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.328 -5.877 -2.373 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.140 -6.912 -2.499 1.00 0.00 C ATOM 496 CZ PHE A 34 69.933 -5.764 -2.399 1.00 0.00 C ATOM 0 H PHE A 34 70.795 -9.503 -4.892 1.00 0.00 H new ATOM 0 HA PHE A 34 73.338 -8.917 -3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.016 -10.428 -2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.403 -9.821 -1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.005 -7.225 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.128 -9.059 -2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.940 -4.991 -2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.064 -6.825 -2.520 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.469 -4.790 -2.342 1.00 0.00 H new ATOM 506 N ASP A 35 72.793 -12.100 -4.451 1.00 0.00 N ATOM 507 CA ASP A 35 73.426 -13.410 -4.502 1.00 0.00 C ATOM 508 C ASP A 35 74.722 -13.342 -5.305 1.00 0.00 C ATOM 509 O ASP A 35 75.702 -14.017 -4.993 1.00 0.00 O ATOM 510 CB ASP A 35 72.488 -14.426 -5.152 1.00 0.00 C ATOM 511 CG ASP A 35 71.224 -14.562 -4.310 1.00 0.00 C ATOM 512 OD1 ASP A 35 71.342 -14.573 -3.096 1.00 0.00 O ATOM 513 OD2 ASP A 35 70.155 -14.653 -4.892 1.00 0.00 O ATOM 0 H ASP A 35 71.871 -12.056 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 35 73.648 -13.721 -3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 35 72.232 -14.106 -6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 35 72.985 -15.392 -5.240 1.00 0.00 H new ATOM 518 N ALA A 36 74.710 -12.514 -6.345 1.00 0.00 N ATOM 519 CA ALA A 36 75.884 -12.353 -7.196 1.00 0.00 C ATOM 520 C ALA A 36 76.943 -11.512 -6.490 1.00 0.00 C ATOM 521 O ALA A 36 78.139 -11.784 -6.588 1.00 0.00 O ATOM 522 CB ALA A 36 75.501 -11.678 -8.515 1.00 0.00 C ATOM 0 H ALA A 36 73.907 -11.948 -6.618 1.00 0.00 H new ATOM 0 HA ALA A 36 76.289 -13.344 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 36 76.389 -11.566 -9.137 1.00 0.00 H new ATOM 0 HB2 ALA A 36 74.766 -12.291 -9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 36 75.075 -10.696 -8.311 1.00 0.00 H new ATOM 528 N LEU A 37 76.489 -10.485 -5.774 1.00 0.00 N ATOM 529 CA LEU A 37 77.407 -9.607 -5.050 1.00 0.00 C ATOM 530 C LEU A 37 78.188 -10.399 -4.008 1.00 0.00 C ATOM 531 O LEU A 37 79.349 -10.106 -3.723 1.00 0.00 O ATOM 532 CB LEU A 37 76.640 -8.486 -4.345 1.00 0.00 C ATOM 533 CG LEU A 37 75.585 -7.778 -5.198 1.00 0.00 C ATOM 534 CD1 LEU A 37 74.985 -6.615 -4.407 1.00 0.00 C ATOM 535 CD2 LEU A 37 76.237 -7.242 -6.475 1.00 0.00 C ATOM 0 H LEU A 37 75.503 -10.242 -5.680 1.00 0.00 H new ATOM 0 HA LEU A 37 78.096 -9.174 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 37 76.152 -8.901 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 37 77.356 -7.744 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 37 74.797 -8.484 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 37 74.234 -6.111 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 37 74.520 -6.995 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 37 75.773 -5.909 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.486 -6.738 -7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 37 77.025 -6.536 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 37 76.665 -8.070 -7.040 1.00 0.00 H new ATOM 547 N GLY A 38 77.533 -11.410 -3.444 1.00 0.00 N ATOM 548 CA GLY A 38 78.169 -12.248 -2.432 1.00 0.00 C ATOM 549 C GLY A 38 77.537 -12.030 -1.058 1.00 0.00 C ATOM 550 O GLY A 38 78.170 -12.268 -0.029 1.00 0.00 O ATOM 0 H GLY A 38 76.572 -11.667 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.078 -13.297 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.234 -12.022 -2.385 1.00 0.00 H new ATOM 554 N TYR A 39 76.283 -11.577 -1.047 1.00 0.00 N ATOM 555 CA TYR A 39 75.588 -11.338 0.215 1.00 0.00 C ATOM 556 C TYR A 39 74.687 -12.519 0.558 1.00 0.00 C ATOM 557 O TYR A 39 73.896 -12.975 -0.267 1.00 0.00 O ATOM 558 CB TYR A 39 74.730 -10.075 0.125 1.00 0.00 C ATOM 559 CG TYR A 39 75.619 -8.864 -0.025 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.630 -8.616 0.910 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.428 -7.988 -1.100 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.452 -7.492 0.770 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.250 -6.864 -1.240 1.00 0.00 C ATOM 564 CZ TYR A 39 77.262 -6.615 -0.305 1.00 0.00 C ATOM 565 OH TYR A 39 78.071 -5.506 -0.444 1.00 0.00 O ATOM 0 H TYR A 39 75.736 -11.371 -1.883 1.00 0.00 H new ATOM 0 HA TYR A 39 76.341 -11.213 0.993 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.050 -10.146 -0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.115 -9.978 1.019 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.776 -9.292 1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.647 -8.179 -1.821 1.00 0.00 H new ATOM 0 HE1 TYR A 39 78.233 -7.301 1.491 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.104 -6.188 -2.070 1.00 0.00 H new ATOM 0 HH TYR A 39 78.955 -5.697 -0.067 1.00 0.00 H new ATOM 575 N ASP A 40 74.809 -13.003 1.790 1.00 0.00 N ATOM 576 CA ASP A 40 73.994 -14.126 2.239 1.00 0.00 C ATOM 577 C ASP A 40 72.584 -13.649 2.552 1.00 0.00 C ATOM 578 O ASP A 40 71.622 -13.993 1.866 1.00 0.00 O ATOM 579 CB ASP A 40 74.597 -14.761 3.495 1.00 0.00 C ATOM 580 CG ASP A 40 75.618 -15.818 3.090 1.00 0.00 C ATOM 581 OD1 ASP A 40 76.546 -15.475 2.377 1.00 0.00 O ATOM 582 OD2 ASP A 40 75.458 -16.956 3.500 1.00 0.00 O ATOM 0 H ASP A 40 75.457 -12.640 2.489 1.00 0.00 H new ATOM 0 HA ASP A 40 73.966 -14.869 1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.073 -13.997 4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.811 -15.212 4.100 1.00 0.00 H new ATOM 587 N SER A 41 72.484 -12.845 3.603 1.00 0.00 N ATOM 588 CA SER A 41 71.202 -12.295 4.034 1.00 0.00 C ATOM 589 C SER A 41 71.394 -11.538 5.337 1.00 0.00 C ATOM 590 O SER A 41 70.843 -10.455 5.538 1.00 0.00 O ATOM 591 CB SER A 41 70.167 -13.405 4.251 1.00 0.00 C ATOM 592 OG SER A 41 69.455 -13.627 3.042 1.00 0.00 O ATOM 0 H SER A 41 73.278 -12.558 4.176 1.00 0.00 H new ATOM 0 HA SER A 41 70.837 -11.627 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.662 -14.323 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.477 -13.124 5.046 1.00 0.00 H new ATOM 0 HG SER A 41 70.044 -13.450 2.279 1.00 0.00 H new ATOM 598 N LEU A 42 72.200 -12.126 6.218 1.00 0.00 N ATOM 599 CA LEU A 42 72.485 -11.515 7.514 1.00 0.00 C ATOM 600 C LEU A 42 73.084 -10.122 7.333 1.00 0.00 C ATOM 601 O LEU A 42 72.869 -9.227 8.150 1.00 0.00 O ATOM 602 CB LEU A 42 73.467 -12.377 8.309 1.00 0.00 C ATOM 603 CG LEU A 42 72.855 -13.611 8.975 1.00 0.00 C ATOM 604 CD1 LEU A 42 73.968 -14.478 9.567 1.00 0.00 C ATOM 605 CD2 LEU A 42 71.908 -13.167 10.092 1.00 0.00 C ATOM 0 H LEU A 42 72.665 -13.020 6.060 1.00 0.00 H new ATOM 0 HA LEU A 42 71.544 -11.437 8.059 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.265 -12.702 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.928 -11.759 9.079 1.00 0.00 H new ATOM 0 HG LEU A 42 72.302 -14.188 8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 42 73.531 -15.357 10.041 1.00 0.00 H new ATOM 0 HD12 LEU A 42 74.645 -14.793 8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 42 74.522 -13.903 10.309 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.470 -14.044 10.568 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.463 -12.591 10.832 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.115 -12.549 9.672 1.00 0.00 H new ATOM 617 N ALA A 43 73.833 -9.950 6.248 1.00 0.00 N ATOM 618 CA ALA A 43 74.454 -8.662 5.964 1.00 0.00 C ATOM 619 C ALA A 43 73.403 -7.661 5.510 1.00 0.00 C ATOM 620 O ALA A 43 73.383 -6.517 5.960 1.00 0.00 O ATOM 621 CB ALA A 43 75.518 -8.804 4.875 1.00 0.00 C ATOM 0 H ALA A 43 74.023 -10.677 5.559 1.00 0.00 H new ATOM 0 HA ALA A 43 74.926 -8.305 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 43 75.969 -7.831 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.288 -9.501 5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.057 -9.181 3.962 1.00 0.00 H new ATOM 627 N LEU A 44 72.522 -8.105 4.621 1.00 0.00 N ATOM 628 CA LEU A 44 71.465 -7.233 4.122 1.00 0.00 C ATOM 629 C LEU A 44 70.490 -6.912 5.243 1.00 0.00 C ATOM 630 O LEU A 44 70.017 -5.785 5.378 1.00 0.00 O ATOM 631 CB LEU A 44 70.713 -7.901 2.970 1.00 0.00 C ATOM 632 CG LEU A 44 71.568 -8.246 1.749 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.670 -8.773 0.631 1.00 0.00 C ATOM 634 CD2 LEU A 44 72.298 -6.990 1.264 1.00 0.00 C ATOM 0 H LEU A 44 72.517 -9.049 4.235 1.00 0.00 H new ATOM 0 HA LEU A 44 71.921 -6.313 3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.251 -8.816 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.905 -7.241 2.653 1.00 0.00 H new ATOM 0 HG LEU A 44 72.297 -9.009 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.279 -9.019 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.149 -9.667 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 44 69.941 -8.010 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.907 -7.236 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 44 71.568 -6.227 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 44 72.939 -6.611 2.060 1.00 0.00 H new ATOM 646 N LEU A 45 70.207 -7.925 6.060 1.00 0.00 N ATOM 647 CA LEU A 45 69.295 -7.763 7.195 1.00 0.00 C ATOM 648 C LEU A 45 69.753 -6.603 8.084 1.00 0.00 C ATOM 649 O LEU A 45 68.967 -5.727 8.449 1.00 0.00 O ATOM 650 CB LEU A 45 69.248 -9.073 8.009 1.00 0.00 C ATOM 651 CG LEU A 45 68.789 -8.964 9.473 1.00 0.00 C ATOM 652 CD1 LEU A 45 67.507 -8.132 9.555 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.521 -10.366 10.026 1.00 0.00 C ATOM 0 H LEU A 45 70.593 -8.864 5.960 1.00 0.00 H new ATOM 0 HA LEU A 45 68.296 -7.536 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.584 -9.768 7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.244 -9.516 7.997 1.00 0.00 H new ATOM 0 HG LEU A 45 69.570 -8.480 10.060 1.00 0.00 H new ATOM 0 HD11 LEU A 45 67.187 -8.058 10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.696 -7.133 9.162 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.724 -8.611 8.967 1.00 0.00 H new ATOM 0 HD21 LEU A 45 68.196 -10.292 11.064 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.742 -10.848 9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 45 69.434 -10.958 9.974 1.00 0.00 H new ATOM 665 N ASN A 46 71.034 -6.616 8.424 1.00 0.00 N ATOM 666 CA ASN A 46 71.601 -5.572 9.269 1.00 0.00 C ATOM 667 C ASN A 46 71.590 -4.227 8.547 1.00 0.00 C ATOM 668 O ASN A 46 71.116 -3.224 9.083 1.00 0.00 O ATOM 669 CB ASN A 46 73.038 -5.916 9.650 1.00 0.00 C ATOM 670 CG ASN A 46 73.079 -7.275 10.334 1.00 0.00 C ATOM 671 OD1 ASN A 46 72.081 -7.727 10.898 1.00 0.00 O ATOM 672 ND2 ASN A 46 74.187 -7.958 10.318 1.00 0.00 N ATOM 0 H ASN A 46 71.698 -7.333 8.130 1.00 0.00 H new ATOM 0 HA ASN A 46 70.990 -5.504 10.169 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.667 -5.928 8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.441 -5.152 10.315 1.00 0.00 H new ATOM 0 HD21 ASN A 46 74.231 -8.870 10.773 1.00 0.00 H new ATOM 0 HD22 ASN A 46 75.012 -7.581 9.850 1.00 0.00 H new ATOM 679 N THR A 47 72.124 -4.211 7.324 1.00 0.00 N ATOM 680 CA THR A 47 72.177 -2.972 6.539 1.00 0.00 C ATOM 681 C THR A 47 70.790 -2.348 6.407 1.00 0.00 C ATOM 682 O THR A 47 70.601 -1.165 6.688 1.00 0.00 O ATOM 683 CB THR A 47 72.738 -3.233 5.139 1.00 0.00 C ATOM 684 OG1 THR A 47 73.768 -4.206 5.214 1.00 0.00 O ATOM 685 CG2 THR A 47 73.309 -1.934 4.571 1.00 0.00 C ATOM 0 H THR A 47 72.521 -5.028 6.859 1.00 0.00 H new ATOM 0 HA THR A 47 72.834 -2.283 7.069 1.00 0.00 H new ATOM 0 HB THR A 47 71.941 -3.597 4.491 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.378 -5.102 5.139 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.709 -2.118 3.574 1.00 0.00 H new ATOM 0 HG22 THR A 47 72.520 -1.184 4.513 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.106 -1.572 5.221 1.00 0.00 H new ATOM 693 N VAL A 48 69.823 -3.158 5.984 1.00 0.00 N ATOM 694 CA VAL A 48 68.448 -2.677 5.824 1.00 0.00 C ATOM 695 C VAL A 48 67.925 -2.119 7.146 1.00 0.00 C ATOM 696 O VAL A 48 67.122 -1.185 7.167 1.00 0.00 O ATOM 697 CB VAL A 48 67.529 -3.810 5.345 1.00 0.00 C ATOM 698 CG1 VAL A 48 66.119 -3.266 5.092 1.00 0.00 C ATOM 699 CG2 VAL A 48 68.081 -4.394 4.043 1.00 0.00 C ATOM 0 H VAL A 48 69.960 -4.141 5.747 1.00 0.00 H new ATOM 0 HA VAL A 48 68.451 -1.885 5.075 1.00 0.00 H new ATOM 0 HB VAL A 48 67.486 -4.584 6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.472 -4.075 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.720 -2.846 6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 48 66.160 -2.490 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.430 -5.199 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 48 68.123 -3.613 3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.083 -4.786 4.216 1.00 0.00 H new ATOM 709 N GLY A 49 68.400 -2.691 8.251 1.00 0.00 N ATOM 710 CA GLY A 49 67.984 -2.227 9.573 1.00 0.00 C ATOM 711 C GLY A 49 68.367 -0.763 9.759 1.00 0.00 C ATOM 712 O GLY A 49 67.587 0.045 10.266 1.00 0.00 O ATOM 0 H GLY A 49 69.064 -3.465 8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.906 -2.346 9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 49 68.455 -2.835 10.345 1.00 0.00 H new ATOM 716 N ARG A 50 69.581 -0.430 9.328 1.00 0.00 N ATOM 717 CA ARG A 50 70.065 0.940 9.435 1.00 0.00 C ATOM 718 C ARG A 50 69.205 1.865 8.582 1.00 0.00 C ATOM 719 O ARG A 50 68.933 3.002 8.958 1.00 0.00 O ATOM 720 CB ARG A 50 71.520 1.036 8.971 1.00 0.00 C ATOM 721 CG ARG A 50 72.155 2.308 9.538 1.00 0.00 C ATOM 722 CD ARG A 50 73.630 2.048 9.848 1.00 0.00 C ATOM 723 NE ARG A 50 74.142 3.038 10.798 1.00 0.00 N ATOM 724 CZ ARG A 50 73.753 3.062 12.081 1.00 0.00 C ATOM 725 NH1 ARG A 50 72.890 2.191 12.547 1.00 0.00 N ATOM 726 NH2 ARG A 50 74.244 3.967 12.882 1.00 0.00 N ATOM 0 H ARG A 50 70.240 -1.084 8.906 1.00 0.00 H new ATOM 0 HA ARG A 50 70.004 1.242 10.480 1.00 0.00 H new ATOM 0 HB2 ARG A 50 72.077 0.160 9.303 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.565 1.049 7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 50 72.061 3.124 8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.631 2.616 10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 50 73.749 1.046 10.260 1.00 0.00 H new ATOM 0 HD3 ARG A 50 74.212 2.085 8.927 1.00 0.00 H new ATOM 0 HE ARG A 50 74.816 3.731 10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 50 72.501 1.478 11.930 1.00 0.00 H new ATOM 0 HH12 ARG A 50 72.607 2.227 13.526 1.00 0.00 H new ATOM 0 HH21 ARG A 50 74.917 4.648 12.531 1.00 0.00 H new ATOM 0 HH22 ARG A 50 73.955 3.994 13.860 1.00 0.00 H new ATOM 740 N ILE A 51 68.777 1.359 7.428 1.00 0.00 N ATOM 741 CA ILE A 51 67.937 2.149 6.529 1.00 0.00 C ATOM 742 C ILE A 51 66.604 2.461 7.197 1.00 0.00 C ATOM 743 O ILE A 51 66.205 3.617 7.311 1.00 0.00 O ATOM 744 CB ILE A 51 67.649 1.406 5.213 1.00 0.00 C ATOM 745 CG1 ILE A 51 68.919 0.739 4.655 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.114 2.400 4.182 1.00 0.00 C ATOM 747 CD1 ILE A 51 70.028 1.775 4.450 1.00 0.00 C ATOM 0 H ILE A 51 68.993 0.419 7.096 1.00 0.00 H new ATOM 0 HA ILE A 51 68.483 3.066 6.307 1.00 0.00 H new ATOM 0 HB ILE A 51 66.913 0.628 5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 51 69.261 -0.036 5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 51 68.693 0.249 3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 51 66.908 1.879 3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.195 2.852 4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 51 67.857 3.178 4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.917 1.283 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.690 2.535 3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 51 70.267 2.246 5.404 1.00 0.00 H new ATOM 759 N GLU A 52 65.913 1.411 7.625 1.00 0.00 N ATOM 760 CA GLU A 52 64.612 1.577 8.269 1.00 0.00 C ATOM 761 C GLU A 52 64.707 2.451 9.519 1.00 0.00 C ATOM 762 O GLU A 52 63.704 2.995 9.977 1.00 0.00 O ATOM 763 CB GLU A 52 64.023 0.218 8.652 1.00 0.00 C ATOM 764 CG GLU A 52 65.002 -0.530 9.557 1.00 0.00 C ATOM 765 CD GLU A 52 64.364 -1.833 10.030 1.00 0.00 C ATOM 766 OE1 GLU A 52 64.486 -2.819 9.322 1.00 0.00 O ATOM 767 OE2 GLU A 52 63.763 -1.824 11.091 1.00 0.00 O ATOM 0 H GLU A 52 66.226 0.444 7.540 1.00 0.00 H new ATOM 0 HA GLU A 52 63.960 2.071 7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 52 63.071 0.355 9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.821 -0.368 7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.925 -0.740 9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 52 65.268 0.089 10.414 1.00 0.00 H new ATOM 774 N ARG A 53 65.910 2.583 10.076 1.00 0.00 N ATOM 775 CA ARG A 53 66.080 3.399 11.277 1.00 0.00 C ATOM 776 C ARG A 53 66.547 4.805 10.917 1.00 0.00 C ATOM 777 O ARG A 53 66.033 5.797 11.434 1.00 0.00 O ATOM 778 CB ARG A 53 67.097 2.760 12.224 1.00 0.00 C ATOM 779 CG ARG A 53 66.725 3.090 13.671 1.00 0.00 C ATOM 780 CD ARG A 53 65.486 2.289 14.075 1.00 0.00 C ATOM 781 NE ARG A 53 65.870 1.032 14.720 1.00 0.00 N ATOM 782 CZ ARG A 53 64.963 0.123 15.105 1.00 0.00 C ATOM 783 NH1 ARG A 53 63.680 0.320 14.921 1.00 0.00 N ATOM 784 NH2 ARG A 53 65.366 -0.981 15.675 1.00 0.00 N ATOM 0 H ARG A 53 66.763 2.147 9.725 1.00 0.00 H new ATOM 0 HA ARG A 53 65.112 3.460 11.774 1.00 0.00 H new ATOM 0 HB2 ARG A 53 67.116 1.680 12.079 1.00 0.00 H new ATOM 0 HB3 ARG A 53 68.098 3.129 12.002 1.00 0.00 H new ATOM 0 HG2 ARG A 53 67.557 2.853 14.335 1.00 0.00 H new ATOM 0 HG3 ARG A 53 66.530 4.158 13.773 1.00 0.00 H new ATOM 0 HD2 ARG A 53 64.871 2.879 14.754 1.00 0.00 H new ATOM 0 HD3 ARG A 53 64.878 2.081 13.194 1.00 0.00 H new ATOM 0 HE ARG A 53 66.859 0.842 14.882 1.00 0.00 H new ATOM 0 HH11 ARG A 53 63.354 1.179 14.477 1.00 0.00 H new ATOM 0 HH12 ARG A 53 63.007 -0.385 15.222 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.362 -1.144 15.823 1.00 0.00 H new ATOM 0 HH22 ARG A 53 64.685 -1.680 15.972 1.00 0.00 H new ATOM 798 N ASP A 54 67.529 4.878 10.031 1.00 0.00 N ATOM 799 CA ASP A 54 68.070 6.162 9.607 1.00 0.00 C ATOM 800 C ASP A 54 67.088 6.892 8.695 1.00 0.00 C ATOM 801 O ASP A 54 66.980 8.118 8.732 1.00 0.00 O ATOM 802 CB ASP A 54 69.386 5.958 8.855 1.00 0.00 C ATOM 803 CG ASP A 54 70.518 5.753 9.854 1.00 0.00 C ATOM 804 OD1 ASP A 54 70.325 4.995 10.791 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.562 6.356 9.669 1.00 0.00 O ATOM 0 H ASP A 54 67.966 4.067 9.593 1.00 0.00 H new ATOM 0 HA ASP A 54 68.243 6.762 10.500 1.00 0.00 H new ATOM 0 HB2 ASP A 54 69.309 5.094 8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.595 6.823 8.226 1.00 0.00 H new ATOM 810 N TYR A 55 66.382 6.126 7.871 1.00 0.00 N ATOM 811 CA TYR A 55 65.416 6.710 6.943 1.00 0.00 C ATOM 812 C TYR A 55 63.996 6.629 7.503 1.00 0.00 C ATOM 813 O TYR A 55 63.131 7.425 7.137 1.00 0.00 O ATOM 814 CB TYR A 55 65.462 5.987 5.596 1.00 0.00 C ATOM 815 CG TYR A 55 66.813 6.201 4.956 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.953 5.607 5.510 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.926 6.995 3.808 1.00 0.00 C ATOM 818 CE1 TYR A 55 69.206 5.806 4.919 1.00 0.00 C ATOM 819 CE2 TYR A 55 68.179 7.195 3.215 1.00 0.00 C ATOM 820 CZ TYR A 55 69.318 6.601 3.771 1.00 0.00 C ATOM 821 OH TYR A 55 70.553 6.797 3.187 1.00 0.00 O ATOM 0 H TYR A 55 66.457 5.110 7.825 1.00 0.00 H new ATOM 0 HA TYR A 55 65.685 7.757 6.806 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.279 4.922 5.736 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.674 6.362 4.943 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.866 4.994 6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 55 66.047 7.453 3.380 1.00 0.00 H new ATOM 0 HE1 TYR A 55 70.085 5.347 5.347 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.266 7.807 2.329 1.00 0.00 H new ATOM 0 HH TYR A 55 70.455 7.372 2.399 1.00 0.00 H new ATOM 831 N GLY A 56 63.758 5.663 8.389 1.00 0.00 N ATOM 832 CA GLY A 56 62.430 5.507 8.976 1.00 0.00 C ATOM 833 C GLY A 56 61.455 4.921 7.960 1.00 0.00 C ATOM 834 O GLY A 56 60.268 5.247 7.959 1.00 0.00 O ATOM 0 H GLY A 56 64.453 4.989 8.711 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.487 4.857 9.849 1.00 0.00 H new ATOM 0 HA3 GLY A 56 62.064 6.474 9.322 1.00 0.00 H new ATOM 838 N VAL A 57 61.967 4.048 7.094 1.00 0.00 N ATOM 839 CA VAL A 57 61.127 3.420 6.077 1.00 0.00 C ATOM 840 C VAL A 57 60.445 2.179 6.651 1.00 0.00 C ATOM 841 O VAL A 57 61.017 1.459 7.470 1.00 0.00 O ATOM 842 CB VAL A 57 61.969 3.037 4.845 1.00 0.00 C ATOM 843 CG1 VAL A 57 63.077 2.060 5.247 1.00 0.00 C ATOM 844 CG2 VAL A 57 61.077 2.386 3.777 1.00 0.00 C ATOM 0 H VAL A 57 62.946 3.763 7.076 1.00 0.00 H new ATOM 0 HA VAL A 57 60.363 4.134 5.769 1.00 0.00 H new ATOM 0 HB VAL A 57 62.418 3.942 4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 57 63.666 1.796 4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 57 63.723 2.528 5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 57 62.632 1.159 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 57 61.682 2.119 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 57 60.615 1.488 4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 57 60.300 3.088 3.474 1.00 0.00 H new ATOM 854 N GLN A 58 59.212 1.940 6.212 1.00 0.00 N ATOM 855 CA GLN A 58 58.457 0.786 6.690 1.00 0.00 C ATOM 856 C GLN A 58 57.198 0.579 5.846 1.00 0.00 C ATOM 857 O GLN A 58 56.080 0.534 6.362 1.00 0.00 O ATOM 858 CB GLN A 58 58.063 0.977 8.157 1.00 0.00 C ATOM 859 CG GLN A 58 57.553 -0.350 8.722 1.00 0.00 C ATOM 860 CD GLN A 58 57.108 -0.150 10.167 1.00 0.00 C ATOM 861 OE1 GLN A 58 57.723 0.610 10.913 1.00 0.00 O ATOM 862 NE2 GLN A 58 56.062 -0.794 10.608 1.00 0.00 N ATOM 0 H GLN A 58 58.720 2.522 5.534 1.00 0.00 H new ATOM 0 HA GLN A 58 59.093 -0.095 6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 58 58.920 1.325 8.733 1.00 0.00 H new ATOM 0 HB3 GLN A 58 57.291 1.742 8.241 1.00 0.00 H new ATOM 0 HG2 GLN A 58 56.721 -0.717 8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 58 58.338 -1.104 8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 58 55.552 -1.424 9.989 1.00 0.00 H new ATOM 0 HE22 GLN A 58 55.754 -0.667 11.572 1.00 0.00 H new ATOM 871 N LEU A 59 57.395 0.448 4.537 1.00 0.00 N ATOM 872 CA LEU A 59 56.269 0.241 3.628 1.00 0.00 C ATOM 873 C LEU A 59 55.821 -1.218 3.659 1.00 0.00 C ATOM 874 O LEU A 59 54.641 -1.523 3.476 1.00 0.00 O ATOM 875 CB LEU A 59 56.658 0.605 2.194 1.00 0.00 C ATOM 876 CG LEU A 59 57.466 1.895 2.043 1.00 0.00 C ATOM 877 CD1 LEU A 59 58.111 1.927 0.657 1.00 0.00 C ATOM 878 CD2 LEU A 59 56.539 3.106 2.204 1.00 0.00 C ATOM 0 H LEU A 59 58.309 0.481 4.086 1.00 0.00 H new ATOM 0 HA LEU A 59 55.453 0.884 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 59 57.236 -0.217 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.749 0.694 1.600 1.00 0.00 H new ATOM 0 HG LEU A 59 58.241 1.931 2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.688 2.845 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 59 58.771 1.067 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.334 1.891 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.117 4.024 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 59 55.763 3.074 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.077 3.082 3.191 1.00 0.00 H new ATOM 890 N GLY A 60 56.774 -2.117 3.891 1.00 0.00 N ATOM 891 CA GLY A 60 56.465 -3.542 3.943 1.00 0.00 C ATOM 892 C GLY A 60 57.697 -4.353 4.330 1.00 0.00 C ATOM 893 O GLY A 60 58.765 -4.211 3.735 1.00 0.00 O ATOM 0 H GLY A 60 57.756 -1.887 4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.667 -3.719 4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 60 56.097 -3.874 2.972 1.00 0.00 H new ATOM 897 N ASP A 61 57.533 -5.207 5.337 1.00 0.00 N ATOM 898 CA ASP A 61 58.636 -6.044 5.806 1.00 0.00 C ATOM 899 C ASP A 61 59.146 -6.953 4.687 1.00 0.00 C ATOM 900 O ASP A 61 60.299 -7.388 4.701 1.00 0.00 O ATOM 901 CB ASP A 61 58.185 -6.911 6.982 1.00 0.00 C ATOM 902 CG ASP A 61 57.974 -6.032 8.210 1.00 0.00 C ATOM 903 OD1 ASP A 61 58.929 -5.405 8.637 1.00 0.00 O ATOM 904 OD2 ASP A 61 56.859 -5.999 8.706 1.00 0.00 O ATOM 0 H ASP A 61 56.656 -5.338 5.841 1.00 0.00 H new ATOM 0 HA ASP A 61 59.441 -5.382 6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 61 57.261 -7.431 6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 61 58.933 -7.675 7.193 1.00 0.00 H new ATOM 909 N ASP A 62 58.281 -7.237 3.713 1.00 0.00 N ATOM 910 CA ASP A 62 58.666 -8.099 2.600 1.00 0.00 C ATOM 911 C ASP A 62 59.509 -7.350 1.565 1.00 0.00 C ATOM 912 O ASP A 62 59.938 -7.933 0.568 1.00 0.00 O ATOM 913 CB ASP A 62 57.426 -8.668 1.910 1.00 0.00 C ATOM 914 CG ASP A 62 56.504 -7.526 1.496 1.00 0.00 C ATOM 915 OD1 ASP A 62 56.030 -6.825 2.375 1.00 0.00 O ATOM 916 OD2 ASP A 62 56.286 -7.369 0.307 1.00 0.00 O ATOM 0 H ASP A 62 57.323 -6.888 3.673 1.00 0.00 H new ATOM 0 HA ASP A 62 59.265 -8.908 3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.718 -9.249 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.902 -9.347 2.583 1.00 0.00 H new ATOM 921 N ALA A 63 59.768 -6.060 1.807 1.00 0.00 N ATOM 922 CA ALA A 63 60.583 -5.272 0.886 1.00 0.00 C ATOM 923 C ALA A 63 61.951 -5.921 0.712 1.00 0.00 C ATOM 924 O ALA A 63 62.554 -5.869 -0.359 1.00 0.00 O ATOM 925 CB ALA A 63 60.778 -3.859 1.432 1.00 0.00 C ATOM 0 H ALA A 63 59.429 -5.549 2.622 1.00 0.00 H new ATOM 0 HA ALA A 63 60.069 -5.228 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 63 61.387 -3.281 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.807 -3.378 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 63 61.279 -3.908 2.399 1.00 0.00 H new ATOM 931 N VAL A 64 62.423 -6.545 1.786 1.00 0.00 N ATOM 932 CA VAL A 64 63.716 -7.219 1.756 1.00 0.00 C ATOM 933 C VAL A 64 63.644 -8.472 0.882 1.00 0.00 C ATOM 934 O VAL A 64 64.646 -8.906 0.314 1.00 0.00 O ATOM 935 CB VAL A 64 64.152 -7.616 3.171 1.00 0.00 C ATOM 936 CG1 VAL A 64 64.327 -6.353 4.019 1.00 0.00 C ATOM 937 CG2 VAL A 64 63.088 -8.520 3.811 1.00 0.00 C ATOM 0 H VAL A 64 61.935 -6.598 2.680 1.00 0.00 H new ATOM 0 HA VAL A 64 64.446 -6.526 1.338 1.00 0.00 H new ATOM 0 HB VAL A 64 65.096 -8.158 3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.637 -6.631 5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.087 -5.715 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 64 63.381 -5.813 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.404 -8.798 4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 64 62.140 -7.985 3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 64 62.964 -9.419 3.208 1.00 0.00 H new ATOM 947 N GLU A 65 62.446 -9.050 0.784 1.00 0.00 N ATOM 948 CA GLU A 65 62.256 -10.251 -0.021 1.00 0.00 C ATOM 949 C GLU A 65 62.397 -9.930 -1.505 1.00 0.00 C ATOM 950 O GLU A 65 63.277 -10.456 -2.188 1.00 0.00 O ATOM 951 CB GLU A 65 60.871 -10.850 0.230 1.00 0.00 C ATOM 952 CG GLU A 65 60.882 -12.336 -0.134 1.00 0.00 C ATOM 953 CD GLU A 65 59.578 -12.981 0.318 1.00 0.00 C ATOM 954 OE1 GLU A 65 58.554 -12.681 -0.274 1.00 0.00 O ATOM 955 OE2 GLU A 65 59.620 -13.767 1.251 1.00 0.00 O ATOM 0 H GLU A 65 61.604 -8.709 1.247 1.00 0.00 H new ATOM 0 HA GLU A 65 63.021 -10.971 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.593 -10.723 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.123 -10.325 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 65 61.005 -12.456 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.729 -12.831 0.341 1.00 0.00 H new ATOM 962 N LYS A 66 61.517 -9.062 -1.998 1.00 0.00 N ATOM 963 CA LYS A 66 61.548 -8.675 -3.406 1.00 0.00 C ATOM 964 C LYS A 66 62.878 -8.014 -3.754 1.00 0.00 C ATOM 965 O LYS A 66 63.373 -8.131 -4.875 1.00 0.00 O ATOM 966 CB LYS A 66 60.411 -7.700 -3.718 1.00 0.00 C ATOM 967 CG LYS A 66 59.076 -8.448 -3.694 1.00 0.00 C ATOM 968 CD LYS A 66 58.031 -7.654 -4.481 1.00 0.00 C ATOM 969 CE LYS A 66 57.057 -8.620 -5.156 1.00 0.00 C ATOM 970 NZ LYS A 66 57.720 -9.253 -6.331 1.00 0.00 N ATOM 0 H LYS A 66 60.781 -8.617 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 66 61.427 -9.579 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.400 -6.892 -2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.567 -7.244 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 66 59.196 -9.441 -4.127 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.744 -8.587 -2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 66 57.490 -6.983 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 66 58.520 -7.032 -5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 66 56.738 -9.386 -4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 66 56.161 -8.087 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 56.996 -9.601 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 58.319 -8.551 -6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 58.308 -10.049 -6.011 1.00 0.00 H new ATOM 984 N ALA A 67 63.452 -7.316 -2.777 1.00 0.00 N ATOM 985 CA ALA A 67 64.728 -6.636 -2.984 1.00 0.00 C ATOM 986 C ALA A 67 65.821 -7.636 -3.352 1.00 0.00 C ATOM 987 O ALA A 67 66.390 -8.300 -2.486 1.00 0.00 O ATOM 988 CB ALA A 67 65.146 -5.891 -1.716 1.00 0.00 C ATOM 0 H ALA A 67 63.058 -7.207 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 67 64.598 -5.927 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 67 66.099 -5.389 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.387 -5.151 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.251 -6.600 -0.895 1.00 0.00 H new ATOM 994 N THR A 68 66.113 -7.726 -4.647 1.00 0.00 N ATOM 995 CA THR A 68 67.152 -8.639 -5.122 1.00 0.00 C ATOM 996 C THR A 68 68.409 -7.849 -5.476 1.00 0.00 C ATOM 997 O THR A 68 69.531 -8.315 -5.284 1.00 0.00 O ATOM 998 CB THR A 68 66.673 -9.419 -6.353 1.00 0.00 C ATOM 999 OG1 THR A 68 67.717 -10.269 -6.806 1.00 0.00 O ATOM 1000 CG2 THR A 68 66.287 -8.448 -7.473 1.00 0.00 C ATOM 0 H THR A 68 65.652 -7.186 -5.379 1.00 0.00 H new ATOM 0 HA THR A 68 67.375 -9.349 -4.326 1.00 0.00 H new ATOM 0 HB THR A 68 65.802 -10.015 -6.082 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.413 -10.770 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.948 -9.011 -8.342 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.485 -7.796 -7.128 1.00 0.00 H new ATOM 0 HG23 THR A 68 67.153 -7.845 -7.746 1.00 0.00 H new ATOM 1008 N THR A 69 68.199 -6.638 -5.983 1.00 0.00 N ATOM 1009 CA THR A 69 69.307 -5.763 -6.354 1.00 0.00 C ATOM 1010 C THR A 69 69.343 -4.574 -5.391 1.00 0.00 C ATOM 1011 O THR A 69 68.403 -4.375 -4.621 1.00 0.00 O ATOM 1012 CB THR A 69 69.139 -5.242 -7.795 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.821 -5.519 -8.253 1.00 0.00 O ATOM 1014 CG2 THR A 69 70.149 -5.925 -8.720 1.00 0.00 C ATOM 0 H THR A 69 67.274 -6.240 -6.146 1.00 0.00 H new ATOM 0 HA THR A 69 70.236 -6.330 -6.297 1.00 0.00 H new ATOM 0 HB THR A 69 69.312 -4.166 -7.804 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.716 -5.185 -9.168 1.00 0.00 H new ATOM 0 HG21 THR A 69 70.023 -5.551 -9.736 1.00 0.00 H new ATOM 0 HG22 THR A 69 71.161 -5.709 -8.377 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.984 -7.002 -8.707 1.00 0.00 H new ATOM 1022 N PRO A 70 70.403 -3.755 -5.422 1.00 0.00 N ATOM 1023 CA PRO A 70 70.486 -2.589 -4.530 1.00 0.00 C ATOM 1024 C PRO A 70 69.477 -1.524 -4.930 1.00 0.00 C ATOM 1025 O PRO A 70 68.895 -0.847 -4.084 1.00 0.00 O ATOM 1026 CB PRO A 70 71.921 -2.117 -4.722 1.00 0.00 C ATOM 1027 CG PRO A 70 72.372 -2.645 -6.073 1.00 0.00 C ATOM 1028 CD PRO A 70 71.555 -3.911 -6.340 1.00 0.00 C ATOM 0 HA PRO A 70 70.254 -2.816 -3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 70 71.979 -1.029 -4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.563 -2.492 -3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.205 -1.904 -6.854 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.439 -2.866 -6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.237 -3.976 -7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.126 -4.814 -6.124 1.00 0.00 H new ATOM 1036 N ARG A 71 69.250 -1.411 -6.236 1.00 0.00 N ATOM 1037 CA ARG A 71 68.282 -0.450 -6.748 1.00 0.00 C ATOM 1038 C ARG A 71 66.884 -0.763 -6.208 1.00 0.00 C ATOM 1039 O ARG A 71 66.032 0.119 -6.111 1.00 0.00 O ATOM 1040 CB ARG A 71 68.243 -0.491 -8.276 1.00 0.00 C ATOM 1041 CG ARG A 71 69.629 -0.156 -8.829 1.00 0.00 C ATOM 1042 CD ARG A 71 69.793 1.363 -8.922 1.00 0.00 C ATOM 1043 NE ARG A 71 70.570 1.724 -10.108 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.734 2.998 -10.493 1.00 0.00 C ATOM 1045 NH1 ARG A 71 70.199 3.986 -9.817 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.438 3.258 -11.560 1.00 0.00 N ATOM 0 H ARG A 71 69.718 -1.967 -6.951 1.00 0.00 H new ATOM 0 HA ARG A 71 68.588 0.543 -6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 71 67.933 -1.479 -8.616 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.508 0.221 -8.651 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.400 -0.576 -8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.757 -0.606 -9.813 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.813 1.838 -8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 71 70.290 1.736 -8.027 1.00 0.00 H new ATOM 0 HE ARG A 71 71.001 0.982 -10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.646 3.792 -8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 71 70.335 4.948 -10.126 1.00 0.00 H new ATOM 0 HH21 ARG A 71 71.857 2.496 -12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 71 71.569 4.223 -11.862 1.00 0.00 H new ATOM 1060 N ALA A 72 66.657 -2.033 -5.850 1.00 0.00 N ATOM 1061 CA ALA A 72 65.360 -2.439 -5.317 1.00 0.00 C ATOM 1062 C ALA A 72 65.134 -1.802 -3.952 1.00 0.00 C ATOM 1063 O ALA A 72 64.133 -1.124 -3.722 1.00 0.00 O ATOM 1064 CB ALA A 72 65.289 -3.960 -5.179 1.00 0.00 C ATOM 0 H ALA A 72 67.345 -2.783 -5.920 1.00 0.00 H new ATOM 0 HA ALA A 72 64.587 -2.106 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.315 -4.244 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.429 -4.421 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 72 66.072 -4.301 -4.501 1.00 0.00 H new ATOM 1070 N LEU A 73 66.091 -2.021 -3.053 1.00 0.00 N ATOM 1071 CA LEU A 73 66.012 -1.460 -1.701 1.00 0.00 C ATOM 1072 C LEU A 73 65.871 0.055 -1.770 1.00 0.00 C ATOM 1073 O LEU A 73 65.049 0.653 -1.076 1.00 0.00 O ATOM 1074 CB LEU A 73 67.270 -1.795 -0.899 1.00 0.00 C ATOM 1075 CG LEU A 73 67.639 -3.278 -0.851 1.00 0.00 C ATOM 1076 CD1 LEU A 73 69.057 -3.431 -0.298 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.656 -4.016 0.061 1.00 0.00 C ATOM 0 H LEU A 73 66.926 -2.579 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 73 65.142 -1.896 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.109 -1.242 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.136 -1.438 0.122 1.00 0.00 H new ATOM 0 HG LEU A 73 67.592 -3.699 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.322 -4.488 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.758 -2.902 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.103 -3.012 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.917 -5.074 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.706 -3.596 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.644 -3.905 -0.329 1.00 0.00 H new ATOM 1089 N ILE A 74 66.682 0.665 -2.631 1.00 0.00 N ATOM 1090 CA ILE A 74 66.642 2.114 -2.804 1.00 0.00 C ATOM 1091 C ILE A 74 65.263 2.535 -3.304 1.00 0.00 C ATOM 1092 O ILE A 74 64.707 3.540 -2.868 1.00 0.00 O ATOM 1093 CB ILE A 74 67.705 2.569 -3.817 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.089 2.121 -3.345 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.693 4.096 -3.942 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.087 2.254 -4.498 1.00 0.00 C ATOM 0 H ILE A 74 67.368 0.185 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 74 66.847 2.581 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 74 67.480 2.123 -4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.411 2.728 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.051 1.088 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.450 4.408 -4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.711 4.426 -4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 74 67.910 4.542 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.074 1.935 -4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.766 1.628 -5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.132 3.294 -4.822 1.00 0.00 H new ATOM 1108 N GLU A 75 64.717 1.748 -4.226 1.00 0.00 N ATOM 1109 CA GLU A 75 63.402 2.052 -4.780 1.00 0.00 C ATOM 1110 C GLU A 75 62.342 1.998 -3.689 1.00 0.00 C ATOM 1111 O GLU A 75 61.516 2.902 -3.558 1.00 0.00 O ATOM 1112 CB GLU A 75 63.040 1.061 -5.887 1.00 0.00 C ATOM 1113 CG GLU A 75 63.495 1.616 -7.238 1.00 0.00 C ATOM 1114 CD GLU A 75 63.131 0.629 -8.342 1.00 0.00 C ATOM 1115 OE1 GLU A 75 61.953 0.349 -8.494 1.00 0.00 O ATOM 1116 OE2 GLU A 75 64.035 0.167 -9.019 1.00 0.00 O ATOM 0 H GLU A 75 65.157 0.907 -4.601 1.00 0.00 H new ATOM 0 HA GLU A 75 63.438 3.057 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.516 0.099 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 75 61.964 0.888 -5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 75 63.021 2.579 -7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 75 64.571 1.787 -7.229 1.00 0.00 H new ATOM 1123 N MET A 76 62.378 0.930 -2.903 1.00 0.00 N ATOM 1124 CA MET A 76 61.422 0.768 -1.819 1.00 0.00 C ATOM 1125 C MET A 76 61.618 1.873 -0.786 1.00 0.00 C ATOM 1126 O MET A 76 60.659 2.394 -0.221 1.00 0.00 O ATOM 1127 CB MET A 76 61.605 -0.595 -1.149 1.00 0.00 C ATOM 1128 CG MET A 76 61.579 -1.705 -2.212 1.00 0.00 C ATOM 1129 SD MET A 76 60.561 -3.091 -1.642 1.00 0.00 S ATOM 1130 CE MET A 76 59.925 -3.587 -3.263 1.00 0.00 C ATOM 0 H MET A 76 63.052 0.170 -2.995 1.00 0.00 H new ATOM 0 HA MET A 76 60.415 0.829 -2.231 1.00 0.00 H new ATOM 0 HB2 MET A 76 62.550 -0.620 -0.607 1.00 0.00 H new ATOM 0 HB3 MET A 76 60.814 -0.760 -0.418 1.00 0.00 H new ATOM 0 HG2 MET A 76 61.182 -1.313 -3.148 1.00 0.00 H new ATOM 0 HG3 MET A 76 62.593 -2.048 -2.415 1.00 0.00 H new ATOM 0 HE1 MET A 76 59.261 -4.443 -3.147 1.00 0.00 H new ATOM 0 HE2 MET A 76 59.374 -2.758 -3.707 1.00 0.00 H new ATOM 0 HE3 MET A 76 60.757 -3.859 -3.913 1.00 0.00 H new ATOM 1140 N THR A 77 62.878 2.234 -0.556 1.00 0.00 N ATOM 1141 CA THR A 77 63.188 3.286 0.402 1.00 0.00 C ATOM 1142 C THR A 77 62.715 4.636 -0.125 1.00 0.00 C ATOM 1143 O THR A 77 61.998 5.365 0.556 1.00 0.00 O ATOM 1144 CB THR A 77 64.696 3.351 0.660 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.175 2.053 0.983 1.00 0.00 O ATOM 1146 CG2 THR A 77 64.975 4.304 1.823 1.00 0.00 C ATOM 0 H THR A 77 63.689 1.819 -1.014 1.00 0.00 H new ATOM 0 HA THR A 77 62.672 3.056 1.335 1.00 0.00 H new ATOM 0 HB THR A 77 65.203 3.714 -0.234 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.553 1.635 0.181 1.00 0.00 H new ATOM 0 HG21 THR A 77 66.048 4.350 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.606 5.299 1.574 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.469 3.943 2.719 1.00 0.00 H new ATOM 1154 N ASN A 78 63.117 4.956 -1.355 1.00 0.00 N ATOM 1155 CA ASN A 78 62.727 6.224 -1.972 1.00 0.00 C ATOM 1156 C ASN A 78 61.212 6.338 -2.044 1.00 0.00 C ATOM 1157 O ASN A 78 60.646 7.419 -1.899 1.00 0.00 O ATOM 1158 CB ASN A 78 63.296 6.328 -3.388 1.00 0.00 C ATOM 1159 CG ASN A 78 64.755 6.762 -3.320 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.095 7.886 -3.684 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.648 5.931 -2.869 1.00 0.00 N ATOM 0 H ASN A 78 63.706 4.362 -1.939 1.00 0.00 H new ATOM 0 HA ASN A 78 63.126 7.031 -1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.215 5.367 -3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 78 62.719 7.046 -3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.627 6.213 -2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.369 4.998 -2.566 1.00 0.00 H new ATOM 1168 N ALA A 79 60.569 5.198 -2.259 1.00 0.00 N ATOM 1169 CA ALA A 79 59.117 5.148 -2.342 1.00 0.00 C ATOM 1170 C ALA A 79 58.511 5.516 -0.997 1.00 0.00 C ATOM 1171 O ALA A 79 57.448 6.132 -0.920 1.00 0.00 O ATOM 1172 CB ALA A 79 58.656 3.742 -2.723 1.00 0.00 C ATOM 0 H ALA A 79 61.030 4.296 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 79 58.790 5.856 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.568 3.719 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.077 3.471 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 79 58.994 3.031 -1.969 1.00 0.00 H new ATOM 1178 N SER A 80 59.204 5.123 0.064 1.00 0.00 N ATOM 1179 CA SER A 80 58.741 5.406 1.408 1.00 0.00 C ATOM 1180 C SER A 80 58.954 6.880 1.739 1.00 0.00 C ATOM 1181 O SER A 80 58.073 7.538 2.293 1.00 0.00 O ATOM 1182 CB SER A 80 59.481 4.523 2.420 1.00 0.00 C ATOM 1183 OG SER A 80 60.723 5.121 2.771 1.00 0.00 O ATOM 0 H SER A 80 60.084 4.610 0.016 1.00 0.00 H new ATOM 0 HA SER A 80 57.675 5.185 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.869 4.386 3.312 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.651 3.534 1.996 1.00 0.00 H new ATOM 0 HG SER A 80 61.382 4.944 2.067 1.00 0.00 H new ATOM 1189 N LEU A 81 60.130 7.393 1.389 1.00 0.00 N ATOM 1190 CA LEU A 81 60.434 8.793 1.651 1.00 0.00 C ATOM 1191 C LEU A 81 59.537 9.696 0.814 1.00 0.00 C ATOM 1192 O LEU A 81 58.942 10.647 1.324 1.00 0.00 O ATOM 1193 CB LEU A 81 61.902 9.107 1.327 1.00 0.00 C ATOM 1194 CG LEU A 81 62.950 8.641 2.356 1.00 0.00 C ATOM 1195 CD1 LEU A 81 62.447 8.859 3.786 1.00 0.00 C ATOM 1196 CD2 LEU A 81 63.247 7.157 2.151 1.00 0.00 C ATOM 0 H LEU A 81 60.876 6.869 0.931 1.00 0.00 H new ATOM 0 HA LEU A 81 60.256 8.978 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.143 8.654 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 81 62.001 10.186 1.205 1.00 0.00 H new ATOM 0 HG LEU A 81 63.857 9.228 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 81 63.205 8.522 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 81 62.248 9.919 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.529 8.291 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 81 63.988 6.830 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 81 62.331 6.581 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 81 63.634 6.999 1.144 1.00 0.00 H new ATOM 1208 N THR A 82 59.440 9.395 -0.480 1.00 0.00 N ATOM 1209 CA THR A 82 58.606 10.200 -1.370 1.00 0.00 C ATOM 1210 C THR A 82 57.136 10.096 -0.961 1.00 0.00 C ATOM 1211 O THR A 82 56.365 11.043 -1.120 1.00 0.00 O ATOM 1212 CB THR A 82 58.764 9.752 -2.831 1.00 0.00 C ATOM 1213 OG1 THR A 82 57.980 10.589 -3.666 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.307 8.299 -2.993 1.00 0.00 C ATOM 0 H THR A 82 59.919 8.614 -0.929 1.00 0.00 H new ATOM 0 HA THR A 82 58.933 11.236 -1.285 1.00 0.00 H new ATOM 0 HB THR A 82 59.814 9.826 -3.114 1.00 0.00 H new ATOM 0 HG1 THR A 82 58.080 10.306 -4.599 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.424 7.994 -4.033 1.00 0.00 H new ATOM 0 HG22 THR A 82 58.912 7.654 -2.356 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.259 8.213 -2.706 1.00 0.00 H new ATOM 1222 N GLY A 83 56.762 8.934 -0.433 1.00 0.00 N ATOM 1223 CA GLY A 83 55.382 8.713 -0.003 1.00 0.00 C ATOM 1224 C GLY A 83 55.015 9.651 1.140 1.00 0.00 C ATOM 1225 O GLY A 83 53.885 10.134 1.228 1.00 0.00 O ATOM 0 H GLY A 83 57.385 8.139 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.705 8.873 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.257 7.678 0.315 1.00 0.00 H new