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 -18:sc= 0.735 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 109:sc= 1.09 USER MOD Single : A 16 CYS SG : rot 90:sc= -1.9 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 41 SER OG : rot 150:sc= -2.62! USER MOD Single : A 46 ASN :FLIP amide:sc= -0.477 F(o=-1.1,f=-0.48) USER MOD Single : A 47 THR OG1 : rot -66:sc= -0.708 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0827 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -76:sc= -1.87! USER MOD Single : A 78 ASN : amide:sc= -10.5! C(o=-11!,f=-12!) USER MOD Single : A 80 SER OG : rot -66:sc= -1.26! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 65.603 11.254 0.966 1.00 0.00 N ATOM 35 CA LEU A 3 65.698 9.935 0.350 1.00 0.00 C ATOM 36 C LEU A 3 67.149 9.448 0.369 1.00 0.00 C ATOM 37 O LEU A 3 68.030 10.128 0.896 1.00 0.00 O ATOM 38 CB LEU A 3 65.161 9.985 -1.087 1.00 0.00 C ATOM 39 CG LEU A 3 66.107 10.577 -2.142 1.00 0.00 C ATOM 40 CD1 LEU A 3 65.554 10.298 -3.545 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.226 12.088 -1.931 1.00 0.00 C ATOM 0 HA LEU A 3 65.092 9.231 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.900 8.971 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.239 10.566 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 3 67.090 10.117 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.227 10.719 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 3 65.472 9.222 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.569 10.755 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.897 12.508 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.242 12.547 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.623 12.286 -0.935 1.00 0.00 H new ATOM 53 N LEU A 4 67.401 8.269 -0.209 1.00 0.00 N ATOM 54 CA LEU A 4 68.766 7.737 -0.232 1.00 0.00 C ATOM 55 C LEU A 4 69.216 7.475 -1.668 1.00 0.00 C ATOM 56 O LEU A 4 68.615 7.975 -2.619 1.00 0.00 O ATOM 57 CB LEU A 4 68.884 6.462 0.639 1.00 0.00 C ATOM 58 CG LEU A 4 68.614 5.096 -0.036 1.00 0.00 C ATOM 59 CD1 LEU A 4 69.673 4.080 0.404 1.00 0.00 C ATOM 60 CD2 LEU A 4 67.233 4.584 0.383 1.00 0.00 C ATOM 0 H LEU A 4 66.699 7.679 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 4 69.431 8.486 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 4 69.890 6.435 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 4 68.193 6.564 1.476 1.00 0.00 H new ATOM 0 HG LEU A 4 68.653 5.221 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.478 3.120 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 4 70.661 4.436 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 4 69.634 3.960 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 4 67.042 3.622 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 4 67.202 4.466 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 4 66.471 5.299 0.074 1.00 0.00 H new ATOM 72 N THR A 5 70.290 6.704 -1.817 1.00 0.00 N ATOM 73 CA THR A 5 70.810 6.411 -3.147 1.00 0.00 C ATOM 74 C THR A 5 71.588 5.101 -3.165 1.00 0.00 C ATOM 75 O THR A 5 71.714 4.415 -2.150 1.00 0.00 O ATOM 76 CB THR A 5 71.733 7.540 -3.598 1.00 0.00 C ATOM 77 OG1 THR A 5 72.648 7.844 -2.553 1.00 0.00 O ATOM 78 CG2 THR A 5 70.896 8.774 -3.917 1.00 0.00 C ATOM 0 H THR A 5 70.808 6.278 -1.048 1.00 0.00 H new ATOM 0 HA THR A 5 69.961 6.320 -3.824 1.00 0.00 H new ATOM 0 HB THR A 5 72.285 7.233 -4.487 1.00 0.00 H new ATOM 0 HG1 THR A 5 72.308 7.487 -1.706 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.550 9.584 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.190 8.539 -4.713 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.349 9.083 -3.026 1.00 0.00 H new ATOM 86 N LEU A 6 72.111 4.771 -4.343 1.00 0.00 N ATOM 87 CA LEU A 6 72.888 3.544 -4.513 1.00 0.00 C ATOM 88 C LEU A 6 74.177 3.619 -3.710 1.00 0.00 C ATOM 89 O LEU A 6 74.665 2.614 -3.193 1.00 0.00 O ATOM 90 CB LEU A 6 73.230 3.324 -5.988 1.00 0.00 C ATOM 91 CG LEU A 6 74.092 4.417 -6.624 1.00 0.00 C ATOM 92 CD1 LEU A 6 75.571 4.059 -6.463 1.00 0.00 C ATOM 93 CD2 LEU A 6 73.756 4.529 -8.113 1.00 0.00 C ATOM 0 H LEU A 6 72.013 5.331 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 6 72.284 2.710 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 6 73.749 2.370 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 6 72.301 3.241 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 6 73.892 5.369 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 6 76.185 4.837 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 6 75.812 3.977 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 6 75.771 3.107 -6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 6 74.369 5.307 -8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 6 73.956 3.577 -8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 6 72.702 4.783 -8.230 1.00 0.00 H new ATOM 105 N SER A 7 74.721 4.825 -3.605 1.00 0.00 N ATOM 106 CA SER A 7 75.953 5.026 -2.855 1.00 0.00 C ATOM 107 C SER A 7 75.714 4.747 -1.376 1.00 0.00 C ATOM 108 O SER A 7 76.558 4.173 -0.693 1.00 0.00 O ATOM 109 CB SER A 7 76.454 6.461 -3.019 1.00 0.00 C ATOM 110 OG SER A 7 77.295 6.535 -4.163 1.00 0.00 O ATOM 0 H SER A 7 74.333 5.670 -4.025 1.00 0.00 H new ATOM 0 HA SER A 7 76.705 4.338 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.611 7.143 -3.128 1.00 0.00 H new ATOM 0 HB3 SER A 7 77.002 6.771 -2.129 1.00 0.00 H new ATOM 0 HG SER A 7 77.617 7.454 -4.273 1.00 0.00 H new ATOM 116 N ASP A 8 74.548 5.162 -0.891 1.00 0.00 N ATOM 117 CA ASP A 8 74.196 4.957 0.508 1.00 0.00 C ATOM 118 C ASP A 8 74.052 3.470 0.815 1.00 0.00 C ATOM 119 O ASP A 8 74.442 2.998 1.882 1.00 0.00 O ATOM 120 CB ASP A 8 72.876 5.661 0.821 1.00 0.00 C ATOM 121 CG ASP A 8 73.051 7.167 0.670 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.975 7.699 1.264 1.00 0.00 O ATOM 123 OD2 ASP A 8 72.260 7.767 -0.038 1.00 0.00 O ATOM 0 H ASP A 8 73.835 5.639 -1.443 1.00 0.00 H new ATOM 0 HA ASP A 8 74.993 5.373 1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 8 72.095 5.306 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.556 5.422 1.835 1.00 0.00 H new ATOM 128 N LEU A 9 73.481 2.738 -0.134 1.00 0.00 N ATOM 129 CA LEU A 9 73.276 1.305 0.035 1.00 0.00 C ATOM 130 C LEU A 9 74.617 0.585 0.141 1.00 0.00 C ATOM 131 O LEU A 9 74.937 -0.027 1.161 1.00 0.00 O ATOM 132 CB LEU A 9 72.500 0.750 -1.167 1.00 0.00 C ATOM 133 CG LEU A 9 71.770 -0.589 -0.965 1.00 0.00 C ATOM 134 CD1 LEU A 9 72.643 -1.583 -0.195 1.00 0.00 C ATOM 135 CD2 LEU A 9 70.471 -0.349 -0.195 1.00 0.00 C ATOM 0 H LEU A 9 73.153 3.111 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 9 72.709 1.140 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 9 71.764 1.495 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 9 73.197 0.635 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 9 71.551 -1.012 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 9 72.101 -2.520 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 9 73.562 -1.768 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 9 72.889 -1.170 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 9 69.953 -1.297 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.699 0.091 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 9 69.833 0.331 -0.760 1.00 0.00 H new ATOM 147 N LEU A 10 75.383 0.648 -0.941 1.00 0.00 N ATOM 148 CA LEU A 10 76.687 -0.019 -0.998 1.00 0.00 C ATOM 149 C LEU A 10 77.594 0.363 0.175 1.00 0.00 C ATOM 150 O LEU A 10 78.248 -0.493 0.767 1.00 0.00 O ATOM 151 CB LEU A 10 77.394 0.310 -2.317 1.00 0.00 C ATOM 152 CG LEU A 10 77.898 -0.906 -3.096 1.00 0.00 C ATOM 153 CD1 LEU A 10 78.812 -1.749 -2.204 1.00 0.00 C ATOM 154 CD2 LEU A 10 76.706 -1.751 -3.548 1.00 0.00 C ATOM 0 H LEU A 10 75.129 1.151 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 10 76.496 -1.090 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.707 0.871 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.240 0.965 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 10 78.458 -0.568 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 10 79.169 -2.614 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 10 79.663 -1.148 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 10 78.256 -2.086 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 10 77.064 -2.618 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 10 76.145 -2.086 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.058 -1.153 -4.188 1.00 0.00 H new ATOM 166 N THR A 11 77.642 1.654 0.499 1.00 0.00 N ATOM 167 CA THR A 11 78.478 2.132 1.588 1.00 0.00 C ATOM 168 C THR A 11 78.155 1.390 2.887 1.00 0.00 C ATOM 169 O THR A 11 79.036 0.823 3.527 1.00 0.00 O ATOM 170 CB THR A 11 78.260 3.637 1.768 1.00 0.00 C ATOM 171 OG1 THR A 11 78.652 4.312 0.581 1.00 0.00 O ATOM 172 CG2 THR A 11 79.098 4.148 2.928 1.00 0.00 C ATOM 0 H THR A 11 77.112 2.383 0.022 1.00 0.00 H new ATOM 0 HA THR A 11 79.523 1.942 1.344 1.00 0.00 H new ATOM 0 HB THR A 11 77.206 3.823 1.974 1.00 0.00 H new ATOM 0 HG1 THR A 11 77.856 4.647 0.117 1.00 0.00 H new ATOM 0 HG21 THR A 11 78.937 5.219 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 11 78.807 3.632 3.843 1.00 0.00 H new ATOM 0 HG23 THR A 11 80.152 3.960 2.726 1.00 0.00 H new ATOM 180 N LEU A 12 76.882 1.391 3.260 1.00 0.00 N ATOM 181 CA LEU A 12 76.466 0.697 4.478 1.00 0.00 C ATOM 182 C LEU A 12 76.728 -0.789 4.326 1.00 0.00 C ATOM 183 O LEU A 12 77.156 -1.469 5.258 1.00 0.00 O ATOM 184 CB LEU A 12 74.982 0.915 4.743 1.00 0.00 C ATOM 185 CG LEU A 12 74.538 2.370 4.713 1.00 0.00 C ATOM 186 CD1 LEU A 12 73.056 2.449 4.346 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.757 2.979 6.092 1.00 0.00 C ATOM 0 H LEU A 12 76.130 1.854 2.750 1.00 0.00 H new ATOM 0 HA LEU A 12 77.037 1.097 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 12 74.409 0.359 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.735 0.494 5.718 1.00 0.00 H new ATOM 0 HG LEU A 12 75.117 2.918 3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.741 3.492 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.900 2.004 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.468 1.907 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.442 4.023 6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 12 74.172 2.430 6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.814 2.921 6.352 1.00 0.00 H new ATOM 199 N LEU A 13 76.474 -1.275 3.121 1.00 0.00 N ATOM 200 CA LEU A 13 76.689 -2.684 2.817 1.00 0.00 C ATOM 201 C LEU A 13 78.167 -3.038 2.992 1.00 0.00 C ATOM 202 O LEU A 13 78.504 -4.129 3.453 1.00 0.00 O ATOM 203 CB LEU A 13 76.237 -3.005 1.386 1.00 0.00 C ATOM 204 CG LEU A 13 74.926 -3.795 1.295 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.540 -3.994 -0.174 1.00 0.00 C ATOM 206 CD2 LEU A 13 75.099 -5.163 1.975 1.00 0.00 C ATOM 0 H LEU A 13 76.121 -0.720 2.341 1.00 0.00 H new ATOM 0 HA LEU A 13 76.094 -3.281 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 13 76.122 -2.071 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 13 77.024 -3.573 0.889 1.00 0.00 H new ATOM 0 HG LEU A 13 74.136 -3.238 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.608 -4.556 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.409 -3.023 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.329 -4.545 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 13 74.166 -5.723 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.892 -5.720 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.362 -5.018 3.023 1.00 0.00 H new ATOM 218 N ARG A 14 79.045 -2.103 2.627 1.00 0.00 N ATOM 219 CA ARG A 14 80.479 -2.343 2.765 1.00 0.00 C ATOM 220 C ARG A 14 80.846 -2.471 4.250 1.00 0.00 C ATOM 221 O ARG A 14 81.713 -3.261 4.625 1.00 0.00 O ATOM 222 CB ARG A 14 81.298 -1.226 2.051 1.00 0.00 C ATOM 223 CG ARG A 14 81.739 -0.092 3.005 1.00 0.00 C ATOM 224 CD ARG A 14 81.769 1.243 2.258 1.00 0.00 C ATOM 225 NE ARG A 14 83.074 1.890 2.415 1.00 0.00 N ATOM 226 CZ ARG A 14 83.273 3.180 2.107 1.00 0.00 C ATOM 227 NH1 ARG A 14 82.302 3.925 1.637 1.00 0.00 N ATOM 228 NH2 ARG A 14 84.457 3.703 2.275 1.00 0.00 N ATOM 0 H ARG A 14 78.795 -1.192 2.242 1.00 0.00 H new ATOM 0 HA ARG A 14 80.735 -3.283 2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 14 82.181 -1.669 1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.698 -0.802 1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 14 81.053 -0.029 3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 14 82.726 -0.312 3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 14 81.563 1.079 1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 14 80.984 1.897 2.638 1.00 0.00 H new ATOM 0 HE ARG A 14 83.857 1.341 2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 14 81.374 3.526 1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 14 82.475 4.904 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 14 85.220 3.132 2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 14 84.619 4.683 2.044 1.00 0.00 H new ATOM 242 N GLU A 15 80.171 -1.682 5.084 1.00 0.00 N ATOM 243 CA GLU A 15 80.424 -1.708 6.519 1.00 0.00 C ATOM 244 C GLU A 15 79.963 -3.032 7.108 1.00 0.00 C ATOM 245 O GLU A 15 80.739 -3.760 7.729 1.00 0.00 O ATOM 246 CB GLU A 15 79.682 -0.565 7.216 1.00 0.00 C ATOM 247 CG GLU A 15 80.117 -0.489 8.682 1.00 0.00 C ATOM 248 CD GLU A 15 81.234 0.539 8.831 1.00 0.00 C ATOM 249 OE1 GLU A 15 80.924 1.718 8.889 1.00 0.00 O ATOM 250 OE2 GLU A 15 82.383 0.133 8.885 1.00 0.00 O ATOM 0 H GLU A 15 79.450 -1.022 4.791 1.00 0.00 H new ATOM 0 HA GLU A 15 81.496 -1.590 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.894 0.379 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.606 -0.725 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 15 79.269 -0.214 9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.461 -1.466 9.021 1.00 0.00 H new ATOM 257 N CYS A 16 78.688 -3.338 6.897 1.00 0.00 N ATOM 258 CA CYS A 16 78.117 -4.586 7.403 1.00 0.00 C ATOM 259 C CYS A 16 78.861 -5.785 6.826 1.00 0.00 C ATOM 260 O CYS A 16 79.269 -6.693 7.549 1.00 0.00 O ATOM 261 CB CYS A 16 76.644 -4.693 7.019 1.00 0.00 C ATOM 262 SG CYS A 16 75.833 -5.892 8.105 1.00 0.00 S ATOM 0 H CYS A 16 78.033 -2.747 6.384 1.00 0.00 H new ATOM 0 HA CYS A 16 78.214 -4.582 8.489 1.00 0.00 H new ATOM 0 HB2 CYS A 16 76.161 -3.720 7.107 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.548 -5.004 5.979 1.00 0.00 H new ATOM 0 HG CYS A 16 75.369 -5.282 9.155 1.00 0.00 H new ATOM 268 N ALA A 17 79.028 -5.771 5.510 1.00 0.00 N ATOM 269 CA ALA A 17 79.724 -6.858 4.824 1.00 0.00 C ATOM 270 C ALA A 17 81.162 -6.969 5.318 1.00 0.00 C ATOM 271 O ALA A 17 81.700 -8.067 5.463 1.00 0.00 O ATOM 272 CB ALA A 17 79.734 -6.618 3.314 1.00 0.00 C ATOM 0 H ALA A 17 78.695 -5.026 4.898 1.00 0.00 H new ATOM 0 HA ALA A 17 79.194 -7.785 5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 17 80.256 -7.437 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 17 78.709 -6.567 2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 17 80.244 -5.679 3.098 1.00 0.00 H new ATOM 417 N VAL A 29 77.024 -2.663 -10.468 1.00 0.00 N ATOM 418 CA VAL A 29 76.378 -3.750 -9.736 1.00 0.00 C ATOM 419 C VAL A 29 75.066 -3.273 -9.118 1.00 0.00 C ATOM 420 O VAL A 29 74.631 -3.779 -8.083 1.00 0.00 O ATOM 421 CB VAL A 29 77.293 -4.266 -8.625 1.00 0.00 C ATOM 422 CG1 VAL A 29 78.526 -4.928 -9.244 1.00 0.00 C ATOM 423 CG2 VAL A 29 77.733 -3.095 -7.744 1.00 0.00 C ATOM 0 HA VAL A 29 76.175 -4.555 -10.442 1.00 0.00 H new ATOM 0 HB VAL A 29 76.754 -4.996 -8.020 1.00 0.00 H new ATOM 0 HG11 VAL A 29 79.178 -5.296 -8.452 1.00 0.00 H new ATOM 0 HG12 VAL A 29 78.214 -5.762 -9.873 1.00 0.00 H new ATOM 0 HG13 VAL A 29 79.065 -4.199 -9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 29 78.385 -3.461 -6.951 1.00 0.00 H new ATOM 0 HG22 VAL A 29 78.272 -2.366 -8.350 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.856 -2.622 -7.302 1.00 0.00 H new ATOM 433 N GLU A 30 74.440 -2.293 -9.764 1.00 0.00 N ATOM 434 CA GLU A 30 73.180 -1.750 -9.277 1.00 0.00 C ATOM 435 C GLU A 30 72.006 -2.635 -9.701 1.00 0.00 C ATOM 436 O GLU A 30 70.966 -2.668 -9.043 1.00 0.00 O ATOM 437 CB GLU A 30 72.978 -0.335 -9.823 1.00 0.00 C ATOM 438 CG GLU A 30 72.916 -0.361 -11.357 1.00 0.00 C ATOM 439 CD GLU A 30 73.729 0.798 -11.928 1.00 0.00 C ATOM 440 OE1 GLU A 30 73.656 1.879 -11.367 1.00 0.00 O ATOM 441 OE2 GLU A 30 74.412 0.586 -12.916 1.00 0.00 O ATOM 0 H GLU A 30 74.784 -1.862 -10.622 1.00 0.00 H new ATOM 0 HA GLU A 30 73.218 -1.720 -8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.057 0.089 -9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 30 73.795 0.309 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.305 -1.308 -11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.880 -0.289 -11.689 1.00 0.00 H new ATOM 448 N ASP A 31 72.189 -3.348 -10.809 1.00 0.00 N ATOM 449 CA ASP A 31 71.147 -4.230 -11.320 1.00 0.00 C ATOM 450 C ASP A 31 71.592 -5.691 -11.241 1.00 0.00 C ATOM 451 O ASP A 31 71.131 -6.536 -12.008 1.00 0.00 O ATOM 452 CB ASP A 31 70.817 -3.881 -12.772 1.00 0.00 C ATOM 453 CG ASP A 31 69.887 -2.674 -12.807 1.00 0.00 C ATOM 454 OD1 ASP A 31 68.965 -2.639 -12.008 1.00 0.00 O ATOM 455 OD2 ASP A 31 70.110 -1.802 -13.631 1.00 0.00 O ATOM 0 H ASP A 31 73.043 -3.332 -11.366 1.00 0.00 H new ATOM 0 HA ASP A 31 70.258 -4.093 -10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.733 -3.664 -13.322 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.344 -4.732 -13.263 1.00 0.00 H new ATOM 460 N VAL A 32 72.483 -5.981 -10.292 1.00 0.00 N ATOM 461 CA VAL A 32 72.972 -7.342 -10.105 1.00 0.00 C ATOM 462 C VAL A 32 72.412 -7.909 -8.804 1.00 0.00 C ATOM 463 O VAL A 32 72.400 -7.232 -7.776 1.00 0.00 O ATOM 464 CB VAL A 32 74.502 -7.361 -10.047 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.997 -8.807 -10.012 1.00 0.00 C ATOM 466 CG2 VAL A 32 75.066 -6.658 -11.284 1.00 0.00 C ATOM 0 H VAL A 32 72.877 -5.296 -9.647 1.00 0.00 H new ATOM 0 HA VAL A 32 72.644 -7.950 -10.948 1.00 0.00 H new ATOM 0 HB VAL A 32 74.837 -6.843 -9.148 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.086 -8.818 -9.971 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.596 -9.308 -9.131 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.663 -9.328 -10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.155 -6.670 -11.245 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.729 -7.176 -12.182 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.716 -5.626 -11.308 1.00 0.00 H new ATOM 476 N ALA A 33 71.933 -9.149 -8.858 1.00 0.00 N ATOM 477 CA ALA A 33 71.357 -9.781 -7.670 1.00 0.00 C ATOM 478 C ALA A 33 72.362 -9.819 -6.523 1.00 0.00 C ATOM 479 O ALA A 33 73.567 -9.949 -6.735 1.00 0.00 O ATOM 480 CB ALA A 33 70.903 -11.207 -7.975 1.00 0.00 C ATOM 0 H ALA A 33 71.931 -9.730 -9.696 1.00 0.00 H new ATOM 0 HA ALA A 33 70.497 -9.181 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.479 -11.654 -7.076 1.00 0.00 H new ATOM 0 HB2 ALA A 33 70.148 -11.188 -8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.757 -11.798 -8.306 1.00 0.00 H new ATOM 486 N PHE A 34 71.844 -9.706 -5.300 1.00 0.00 N ATOM 487 CA PHE A 34 72.691 -9.726 -4.104 1.00 0.00 C ATOM 488 C PHE A 34 73.576 -10.972 -4.078 1.00 0.00 C ATOM 489 O PHE A 34 74.712 -10.933 -3.603 1.00 0.00 O ATOM 490 CB PHE A 34 71.828 -9.718 -2.840 1.00 0.00 C ATOM 491 CG PHE A 34 71.192 -8.360 -2.667 1.00 0.00 C ATOM 492 CD1 PHE A 34 71.983 -7.249 -2.355 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.808 -8.215 -2.815 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.391 -5.992 -2.190 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.215 -6.959 -2.652 1.00 0.00 C ATOM 496 CZ PHE A 34 70.007 -5.846 -2.338 1.00 0.00 C ATOM 0 H PHE A 34 70.847 -9.600 -5.110 1.00 0.00 H new ATOM 0 HA PHE A 34 73.320 -8.836 -4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.057 -10.485 -2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.439 -9.958 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.051 -7.362 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.198 -9.073 -3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 34 72.002 -5.135 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.147 -6.847 -2.768 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.549 -4.876 -2.210 1.00 0.00 H new ATOM 506 N ASP A 35 73.041 -12.077 -4.591 1.00 0.00 N ATOM 507 CA ASP A 35 73.788 -13.333 -4.620 1.00 0.00 C ATOM 508 C ASP A 35 75.059 -13.179 -5.449 1.00 0.00 C ATOM 509 O ASP A 35 76.125 -13.669 -5.077 1.00 0.00 O ATOM 510 CB ASP A 35 72.934 -14.457 -5.215 1.00 0.00 C ATOM 511 CG ASP A 35 73.659 -15.790 -5.057 1.00 0.00 C ATOM 512 OD1 ASP A 35 74.465 -16.110 -5.916 1.00 0.00 O ATOM 513 OD2 ASP A 35 73.398 -16.472 -4.079 1.00 0.00 O ATOM 0 H ASP A 35 72.103 -12.130 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 35 74.053 -13.588 -3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 35 71.967 -14.496 -4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 35 72.739 -14.260 -6.269 1.00 0.00 H new ATOM 518 N ALA A 36 74.931 -12.490 -6.576 1.00 0.00 N ATOM 519 CA ALA A 36 76.072 -12.270 -7.458 1.00 0.00 C ATOM 520 C ALA A 36 77.120 -11.404 -6.765 1.00 0.00 C ATOM 521 O ALA A 36 78.323 -11.613 -6.924 1.00 0.00 O ATOM 522 CB ALA A 36 75.625 -11.582 -8.751 1.00 0.00 C ATOM 0 H ALA A 36 74.057 -12.077 -6.900 1.00 0.00 H new ATOM 0 HA ALA A 36 76.506 -13.241 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 36 76.489 -11.426 -9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 36 74.897 -12.210 -9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 36 75.171 -10.620 -8.513 1.00 0.00 H new ATOM 528 N LEU A 37 76.648 -10.427 -5.994 1.00 0.00 N ATOM 529 CA LEU A 37 77.552 -9.531 -5.277 1.00 0.00 C ATOM 530 C LEU A 37 78.276 -10.279 -4.163 1.00 0.00 C ATOM 531 O LEU A 37 79.424 -9.977 -3.838 1.00 0.00 O ATOM 532 CB LEU A 37 76.776 -8.360 -4.670 1.00 0.00 C ATOM 533 CG LEU A 37 75.713 -7.738 -5.584 1.00 0.00 C ATOM 534 CD1 LEU A 37 75.116 -6.503 -4.907 1.00 0.00 C ATOM 535 CD2 LEU A 37 76.356 -7.330 -6.911 1.00 0.00 C ATOM 0 H LEU A 37 75.656 -10.237 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 37 78.282 -9.151 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 37 76.291 -8.701 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 37 77.486 -7.584 -4.384 1.00 0.00 H new ATOM 0 HG LEU A 37 74.924 -8.467 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 37 74.361 -6.061 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 37 74.657 -6.792 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 37 75.904 -5.774 -4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.601 -6.888 -7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 37 77.145 -6.602 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 37 76.781 -8.209 -7.395 1.00 0.00 H new ATOM 547 N GLY A 38 77.593 -11.261 -3.583 1.00 0.00 N ATOM 548 CA GLY A 38 78.180 -12.051 -2.504 1.00 0.00 C ATOM 549 C GLY A 38 77.607 -11.644 -1.150 1.00 0.00 C ATOM 550 O GLY A 38 78.269 -11.765 -0.119 1.00 0.00 O ATOM 0 H GLY A 38 76.642 -11.528 -3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 38 77.990 -13.110 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.262 -11.918 -2.499 1.00 0.00 H new ATOM 554 N TYR A 39 76.367 -11.161 -1.162 1.00 0.00 N ATOM 555 CA TYR A 39 75.712 -10.739 0.074 1.00 0.00 C ATOM 556 C TYR A 39 74.869 -11.874 0.645 1.00 0.00 C ATOM 557 O TYR A 39 74.650 -12.893 -0.008 1.00 0.00 O ATOM 558 CB TYR A 39 74.796 -9.542 -0.184 1.00 0.00 C ATOM 559 CG TYR A 39 75.625 -8.301 -0.399 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.429 -7.808 0.635 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.584 -7.640 -1.630 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.194 -6.653 0.435 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.347 -6.486 -1.830 1.00 0.00 C ATOM 564 CZ TYR A 39 77.153 -5.992 -0.798 1.00 0.00 C ATOM 565 OH TYR A 39 77.906 -4.852 -0.995 1.00 0.00 O ATOM 0 H TYR A 39 75.801 -11.053 -2.003 1.00 0.00 H new ATOM 0 HA TYR A 39 76.492 -10.461 0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.174 -9.731 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.123 -9.399 0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.459 -8.318 1.586 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.963 -8.021 -2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 39 77.816 -6.272 1.232 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.315 -5.975 -2.781 1.00 0.00 H new ATOM 0 HH TYR A 39 77.763 -4.519 -1.906 1.00 0.00 H new ATOM 575 N ASP A 40 74.387 -11.676 1.868 1.00 0.00 N ATOM 576 CA ASP A 40 73.554 -12.670 2.519 1.00 0.00 C ATOM 577 C ASP A 40 72.242 -12.004 2.934 1.00 0.00 C ATOM 578 O ASP A 40 71.871 -10.967 2.387 1.00 0.00 O ATOM 579 CB ASP A 40 74.275 -13.244 3.750 1.00 0.00 C ATOM 580 CG ASP A 40 75.677 -13.704 3.358 1.00 0.00 C ATOM 581 OD1 ASP A 40 76.463 -12.863 2.955 1.00 0.00 O ATOM 582 OD2 ASP A 40 75.941 -14.890 3.469 1.00 0.00 O ATOM 0 H ASP A 40 74.560 -10.838 2.423 1.00 0.00 H new ATOM 0 HA ASP A 40 73.351 -13.492 1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 40 74.336 -12.488 4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.708 -14.081 4.158 1.00 0.00 H new ATOM 587 N SER A 41 71.546 -12.590 3.894 1.00 0.00 N ATOM 588 CA SER A 41 70.293 -12.024 4.358 1.00 0.00 C ATOM 589 C SER A 41 70.551 -11.068 5.512 1.00 0.00 C ATOM 590 O SER A 41 70.044 -9.948 5.551 1.00 0.00 O ATOM 591 CB SER A 41 69.369 -13.132 4.850 1.00 0.00 C ATOM 592 OG SER A 41 69.885 -13.669 6.062 1.00 0.00 O ATOM 0 H SER A 41 71.826 -13.451 4.364 1.00 0.00 H new ATOM 0 HA SER A 41 69.828 -11.492 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 41 68.365 -12.740 5.011 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.288 -13.916 4.097 1.00 0.00 H new ATOM 0 HG SER A 41 69.145 -13.992 6.618 1.00 0.00 H new ATOM 598 N LEU A 42 71.347 -11.549 6.454 1.00 0.00 N ATOM 599 CA LEU A 42 71.684 -10.771 7.647 1.00 0.00 C ATOM 600 C LEU A 42 72.369 -9.460 7.284 1.00 0.00 C ATOM 601 O LEU A 42 72.004 -8.396 7.783 1.00 0.00 O ATOM 602 CB LEU A 42 72.611 -11.576 8.559 1.00 0.00 C ATOM 603 CG LEU A 42 71.909 -12.578 9.477 1.00 0.00 C ATOM 604 CD1 LEU A 42 70.899 -11.842 10.360 1.00 0.00 C ATOM 605 CD2 LEU A 42 71.178 -13.621 8.629 1.00 0.00 C ATOM 0 H LEU A 42 71.774 -12.474 6.420 1.00 0.00 H new ATOM 0 HA LEU A 42 70.751 -10.548 8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.327 -12.115 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.182 -10.881 9.175 1.00 0.00 H new ATOM 0 HG LEU A 42 72.649 -13.073 10.106 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.399 -12.556 11.014 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.418 -11.098 10.965 1.00 0.00 H new ATOM 0 HD13 LEU A 42 70.159 -11.346 9.731 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.678 -14.335 9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 42 70.439 -13.125 8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.896 -14.146 8.000 1.00 0.00 H new ATOM 617 N ALA A 43 73.376 -9.546 6.421 1.00 0.00 N ATOM 618 CA ALA A 43 74.121 -8.356 6.011 1.00 0.00 C ATOM 619 C ALA A 43 73.202 -7.308 5.406 1.00 0.00 C ATOM 620 O ALA A 43 73.396 -6.119 5.623 1.00 0.00 O ATOM 621 CB ALA A 43 75.202 -8.722 4.993 1.00 0.00 C ATOM 0 H ALA A 43 73.694 -10.416 5.995 1.00 0.00 H new ATOM 0 HA ALA A 43 74.586 -7.941 6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 43 75.745 -7.824 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 43 75.895 -9.436 5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 43 74.738 -9.168 4.113 1.00 0.00 H new ATOM 627 N LEU A 44 72.198 -7.755 4.660 1.00 0.00 N ATOM 628 CA LEU A 44 71.256 -6.825 4.042 1.00 0.00 C ATOM 629 C LEU A 44 70.183 -6.437 5.047 1.00 0.00 C ATOM 630 O LEU A 44 69.719 -5.298 5.078 1.00 0.00 O ATOM 631 CB LEU A 44 70.611 -7.461 2.814 1.00 0.00 C ATOM 632 CG LEU A 44 71.607 -8.005 1.788 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.855 -8.557 0.581 1.00 0.00 C ATOM 634 CD2 LEU A 44 72.531 -6.876 1.331 1.00 0.00 C ATOM 0 H LEU A 44 72.015 -8.740 4.469 1.00 0.00 H new ATOM 0 HA LEU A 44 71.797 -5.932 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.962 -8.274 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.975 -6.721 2.328 1.00 0.00 H new ATOM 0 HG LEU A 44 72.194 -8.802 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.569 -8.943 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.193 -9.361 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 44 70.266 -7.762 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.242 -7.261 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 44 71.938 -6.082 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.073 -6.479 2.190 1.00 0.00 H new ATOM 646 N LEU A 45 69.816 -7.398 5.890 1.00 0.00 N ATOM 647 CA LEU A 45 68.818 -7.156 6.926 1.00 0.00 C ATOM 648 C LEU A 45 69.317 -6.050 7.858 1.00 0.00 C ATOM 649 O LEU A 45 68.544 -5.220 8.338 1.00 0.00 O ATOM 650 CB LEU A 45 68.568 -8.444 7.728 1.00 0.00 C ATOM 651 CG LEU A 45 67.830 -8.278 9.064 1.00 0.00 C ATOM 652 CD1 LEU A 45 66.551 -7.466 8.851 1.00 0.00 C ATOM 653 CD2 LEU A 45 67.468 -9.658 9.619 1.00 0.00 C ATOM 0 H LEU A 45 70.192 -8.346 5.876 1.00 0.00 H new ATOM 0 HA LEU A 45 67.882 -6.846 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.996 -9.131 7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 45 69.530 -8.917 7.924 1.00 0.00 H new ATOM 0 HG LEU A 45 68.476 -7.756 9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.031 -7.351 9.802 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.806 -6.483 8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.904 -7.985 8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 45 66.944 -9.543 10.568 1.00 0.00 H new ATOM 0 HD22 LEU A 45 66.824 -10.178 8.910 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.378 -10.237 9.775 1.00 0.00 H new ATOM 665 N ASN A 46 70.625 -6.050 8.091 1.00 0.00 N ATOM 666 CA ASN A 46 71.240 -5.047 8.949 1.00 0.00 C ATOM 667 C ASN A 46 71.274 -3.701 8.238 1.00 0.00 C ATOM 668 O ASN A 46 70.814 -2.692 8.772 1.00 0.00 O ATOM 669 CB ASN A 46 72.668 -5.453 9.309 1.00 0.00 C ATOM 670 CG ASN A 46 72.635 -6.624 10.282 1.00 0.00 C ATOM 671 OD1 ASN A 46 73.262 -7.725 9.975 1.00 0.00 O flip ATOM 672 ND2 ASN A 46 72.026 -6.540 11.348 1.00 0.00 N flip ATOM 0 H ASN A 46 71.276 -6.730 7.699 1.00 0.00 H new ATOM 0 HA ASN A 46 70.646 -4.969 9.860 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.216 -5.730 8.409 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.195 -4.610 9.756 1.00 0.00 H new ATOM 0 HD21 ASN A 46 71.535 -5.679 11.589 1.00 0.00 H new ATOM 0 HD22 ASN A 46 72.012 -7.332 11.991 1.00 0.00 H new ATOM 679 N THR A 47 71.822 -3.694 7.018 1.00 0.00 N ATOM 680 CA THR A 47 71.907 -2.448 6.237 1.00 0.00 C ATOM 681 C THR A 47 70.532 -1.785 6.129 1.00 0.00 C ATOM 682 O THR A 47 70.356 -0.618 6.486 1.00 0.00 O ATOM 683 CB THR A 47 72.447 -2.708 4.812 1.00 0.00 C ATOM 684 OG1 THR A 47 72.636 -4.095 4.612 1.00 0.00 O ATOM 685 CG2 THR A 47 73.782 -1.978 4.612 1.00 0.00 C ATOM 0 H THR A 47 72.207 -4.517 6.555 1.00 0.00 H new ATOM 0 HA THR A 47 72.597 -1.788 6.762 1.00 0.00 H new ATOM 0 HB THR A 47 71.721 -2.334 4.090 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.354 -4.415 5.197 1.00 0.00 H new ATOM 0 HG21 THR A 47 74.153 -2.168 3.605 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.635 -0.907 4.748 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.507 -2.340 5.341 1.00 0.00 H new ATOM 693 N VAL A 48 69.564 -2.551 5.638 1.00 0.00 N ATOM 694 CA VAL A 48 68.200 -2.043 5.482 1.00 0.00 C ATOM 695 C VAL A 48 67.648 -1.577 6.829 1.00 0.00 C ATOM 696 O VAL A 48 66.857 -0.637 6.898 1.00 0.00 O ATOM 697 CB VAL A 48 67.284 -3.131 4.908 1.00 0.00 C ATOM 698 CG1 VAL A 48 65.893 -2.548 4.636 1.00 0.00 C ATOM 699 CG2 VAL A 48 67.874 -3.660 3.596 1.00 0.00 C ATOM 0 H VAL A 48 69.693 -3.519 5.342 1.00 0.00 H new ATOM 0 HA VAL A 48 68.230 -1.199 4.793 1.00 0.00 H new ATOM 0 HB VAL A 48 67.203 -3.945 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.246 -3.325 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.467 -2.173 5.567 1.00 0.00 H new ATOM 0 HG13 VAL A 48 65.975 -1.731 3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 48 67.222 -4.433 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 48 67.959 -2.843 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 48 68.862 -4.081 3.785 1.00 0.00 H new ATOM 709 N GLY A 49 68.082 -2.244 7.897 1.00 0.00 N ATOM 710 CA GLY A 49 67.631 -1.891 9.240 1.00 0.00 C ATOM 711 C GLY A 49 68.007 -0.450 9.579 1.00 0.00 C ATOM 712 O GLY A 49 67.242 0.277 10.216 1.00 0.00 O ATOM 0 H GLY A 49 68.739 -3.024 7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.550 -2.015 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 49 68.077 -2.569 9.968 1.00 0.00 H new ATOM 716 N ARG A 50 69.196 -0.044 9.143 1.00 0.00 N ATOM 717 CA ARG A 50 69.663 1.309 9.406 1.00 0.00 C ATOM 718 C ARG A 50 68.882 2.310 8.567 1.00 0.00 C ATOM 719 O ARG A 50 68.589 3.417 9.014 1.00 0.00 O ATOM 720 CB ARG A 50 71.153 1.438 9.083 1.00 0.00 C ATOM 721 CG ARG A 50 71.729 2.655 9.808 1.00 0.00 C ATOM 722 CD ARG A 50 73.215 2.429 10.087 1.00 0.00 C ATOM 723 NE ARG A 50 73.924 3.707 10.182 1.00 0.00 N ATOM 724 CZ ARG A 50 75.218 3.781 10.526 1.00 0.00 C ATOM 725 NH1 ARG A 50 75.913 2.702 10.797 1.00 0.00 N ATOM 726 NH2 ARG A 50 75.797 4.949 10.594 1.00 0.00 N ATOM 0 H ARG A 50 69.845 -0.626 8.613 1.00 0.00 H new ATOM 0 HA ARG A 50 69.506 1.519 10.464 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.682 0.535 9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.295 1.541 8.007 1.00 0.00 H new ATOM 0 HG2 ARG A 50 71.595 3.550 9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.194 2.821 10.743 1.00 0.00 H new ATOM 0 HD2 ARG A 50 73.335 1.871 11.016 1.00 0.00 H new ATOM 0 HD3 ARG A 50 73.651 1.824 9.293 1.00 0.00 H new ATOM 0 HE ARG A 50 73.417 4.569 9.980 1.00 0.00 H new ATOM 0 HH11 ARG A 50 75.470 1.784 10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 50 76.896 2.781 11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 50 75.266 5.795 10.386 1.00 0.00 H new ATOM 0 HH22 ARG A 50 76.781 5.016 10.855 1.00 0.00 H new ATOM 740 N ILE A 51 68.547 1.909 7.345 1.00 0.00 N ATOM 741 CA ILE A 51 67.797 2.791 6.452 1.00 0.00 C ATOM 742 C ILE A 51 66.377 2.997 6.968 1.00 0.00 C ATOM 743 O ILE A 51 65.872 4.117 6.995 1.00 0.00 O ATOM 744 CB ILE A 51 67.727 2.213 5.032 1.00 0.00 C ATOM 745 CG1 ILE A 51 69.121 1.760 4.564 1.00 0.00 C ATOM 746 CG2 ILE A 51 67.200 3.286 4.078 1.00 0.00 C ATOM 747 CD1 ILE A 51 70.120 2.920 4.654 1.00 0.00 C ATOM 0 H ILE A 51 68.777 0.996 6.953 1.00 0.00 H new ATOM 0 HA ILE A 51 68.322 3.746 6.425 1.00 0.00 H new ATOM 0 HB ILE A 51 67.060 1.351 5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 51 69.465 0.928 5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 51 69.067 1.398 3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 51 67.148 2.881 3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.205 3.598 4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 51 67.871 4.145 4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 51 71.101 2.582 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.783 3.740 4.020 1.00 0.00 H new ATOM 0 HD13 ILE A 51 70.187 3.263 5.686 1.00 0.00 H new ATOM 759 N GLU A 52 65.734 1.903 7.367 1.00 0.00 N ATOM 760 CA GLU A 52 64.365 1.988 7.867 1.00 0.00 C ATOM 761 C GLU A 52 64.295 2.861 9.117 1.00 0.00 C ATOM 762 O GLU A 52 63.288 3.521 9.370 1.00 0.00 O ATOM 763 CB GLU A 52 63.812 0.597 8.191 1.00 0.00 C ATOM 764 CG GLU A 52 64.716 -0.094 9.213 1.00 0.00 C ATOM 765 CD GLU A 52 64.055 -1.383 9.690 1.00 0.00 C ATOM 766 OE1 GLU A 52 63.857 -2.262 8.867 1.00 0.00 O ATOM 767 OE2 GLU A 52 63.756 -1.472 10.869 1.00 0.00 O ATOM 0 H GLU A 52 66.130 0.963 7.355 1.00 0.00 H new ATOM 0 HA GLU A 52 63.759 2.439 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.799 0.681 8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.751 -0.001 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.686 -0.314 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 52 64.898 0.568 10.059 1.00 0.00 H new ATOM 774 N ARG A 53 65.370 2.854 9.903 1.00 0.00 N ATOM 775 CA ARG A 53 65.395 3.651 11.127 1.00 0.00 C ATOM 776 C ARG A 53 65.925 5.057 10.857 1.00 0.00 C ATOM 777 O ARG A 53 65.424 6.039 11.404 1.00 0.00 O ATOM 778 CB ARG A 53 66.275 2.980 12.184 1.00 0.00 C ATOM 779 CG ARG A 53 65.827 3.422 13.581 1.00 0.00 C ATOM 780 CD ARG A 53 65.956 2.250 14.557 1.00 0.00 C ATOM 781 NE ARG A 53 64.671 1.567 14.717 1.00 0.00 N ATOM 782 CZ ARG A 53 64.540 0.457 15.459 1.00 0.00 C ATOM 783 NH1 ARG A 53 65.568 -0.072 16.078 1.00 0.00 N ATOM 784 NH2 ARG A 53 63.368 -0.107 15.567 1.00 0.00 N ATOM 0 H ARG A 53 66.218 2.318 9.720 1.00 0.00 H new ATOM 0 HA ARG A 53 64.371 3.722 11.494 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.206 1.896 12.095 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.320 3.247 12.025 1.00 0.00 H new ATOM 0 HG2 ARG A 53 66.436 4.260 13.921 1.00 0.00 H new ATOM 0 HG3 ARG A 53 64.795 3.770 13.550 1.00 0.00 H new ATOM 0 HD2 ARG A 53 66.704 1.547 14.192 1.00 0.00 H new ATOM 0 HD3 ARG A 53 66.304 2.612 15.524 1.00 0.00 H new ATOM 0 HE ARG A 53 63.848 1.948 14.249 1.00 0.00 H new ATOM 0 HH11 ARG A 53 66.488 0.361 16.000 1.00 0.00 H new ATOM 0 HH12 ARG A 53 65.447 -0.916 16.637 1.00 0.00 H new ATOM 0 HH21 ARG A 53 62.562 0.296 15.090 1.00 0.00 H new ATOM 0 HH22 ARG A 53 63.258 -0.951 16.129 1.00 0.00 H new ATOM 798 N ASP A 54 66.947 5.143 10.015 1.00 0.00 N ATOM 799 CA ASP A 54 67.545 6.431 9.685 1.00 0.00 C ATOM 800 C ASP A 54 66.624 7.247 8.785 1.00 0.00 C ATOM 801 O ASP A 54 66.504 8.463 8.933 1.00 0.00 O ATOM 802 CB ASP A 54 68.879 6.228 8.969 1.00 0.00 C ATOM 803 CG ASP A 54 69.933 5.770 9.971 1.00 0.00 C ATOM 804 OD1 ASP A 54 69.584 5.015 10.865 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.073 6.180 9.830 1.00 0.00 O ATOM 0 H ASP A 54 67.377 4.343 9.551 1.00 0.00 H new ATOM 0 HA ASP A 54 67.703 6.971 10.619 1.00 0.00 H new ATOM 0 HB2 ASP A 54 68.769 5.487 8.177 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.194 7.157 8.494 1.00 0.00 H new ATOM 810 N TYR A 55 65.983 6.566 7.839 1.00 0.00 N ATOM 811 CA TYR A 55 65.084 7.241 6.909 1.00 0.00 C ATOM 812 C TYR A 55 63.625 7.113 7.356 1.00 0.00 C ATOM 813 O TYR A 55 62.783 7.934 6.993 1.00 0.00 O ATOM 814 CB TYR A 55 65.237 6.659 5.499 1.00 0.00 C ATOM 815 CG TYR A 55 66.637 6.924 4.990 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.734 6.291 5.590 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.841 7.801 3.915 1.00 0.00 C ATOM 818 CE1 TYR A 55 69.029 6.535 5.118 1.00 0.00 C ATOM 819 CE2 TYR A 55 68.139 8.045 3.444 1.00 0.00 C ATOM 820 CZ TYR A 55 69.232 7.411 4.047 1.00 0.00 C ATOM 821 OH TYR A 55 70.510 7.651 3.584 1.00 0.00 O ATOM 0 H TYR A 55 66.068 5.559 7.697 1.00 0.00 H new ATOM 0 HA TYR A 55 65.354 8.297 6.898 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.041 5.587 5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.504 7.107 4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.580 5.614 6.417 1.00 0.00 H new ATOM 0 HD2 TYR A 55 65.998 8.289 3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 55 69.873 6.046 5.582 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.295 8.721 2.617 1.00 0.00 H new ATOM 0 HH TYR A 55 70.474 8.283 2.836 1.00 0.00 H new ATOM 831 N GLY A 56 63.330 6.083 8.153 1.00 0.00 N ATOM 832 CA GLY A 56 61.965 5.881 8.639 1.00 0.00 C ATOM 833 C GLY A 56 61.130 5.088 7.635 1.00 0.00 C ATOM 834 O GLY A 56 59.913 5.255 7.551 1.00 0.00 O ATOM 0 H GLY A 56 64.005 5.388 8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 56 61.990 5.352 9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 56 61.495 6.847 8.823 1.00 0.00 H new ATOM 838 N VAL A 57 61.797 4.225 6.876 1.00 0.00 N ATOM 839 CA VAL A 57 61.111 3.406 5.878 1.00 0.00 C ATOM 840 C VAL A 57 60.352 2.267 6.557 1.00 0.00 C ATOM 841 O VAL A 57 60.823 1.684 7.533 1.00 0.00 O ATOM 842 CB VAL A 57 62.126 2.819 4.891 1.00 0.00 C ATOM 843 CG1 VAL A 57 61.396 2.076 3.766 1.00 0.00 C ATOM 844 CG2 VAL A 57 62.967 3.955 4.297 1.00 0.00 C ATOM 0 H VAL A 57 62.804 4.074 6.930 1.00 0.00 H new ATOM 0 HA VAL A 57 60.405 4.038 5.340 1.00 0.00 H new ATOM 0 HB VAL A 57 62.774 2.117 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.126 1.663 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 57 60.801 1.268 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 57 60.742 2.769 3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 57 63.691 3.543 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 57 62.315 4.657 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.494 4.474 5.097 1.00 0.00 H new ATOM 854 N GLN A 58 59.170 1.956 6.026 1.00 0.00 N ATOM 855 CA GLN A 58 58.356 0.882 6.591 1.00 0.00 C ATOM 856 C GLN A 58 57.112 0.633 5.734 1.00 0.00 C ATOM 857 O GLN A 58 55.978 0.797 6.187 1.00 0.00 O ATOM 858 CB GLN A 58 57.928 1.234 8.019 1.00 0.00 C ATOM 859 CG GLN A 58 57.276 0.014 8.673 1.00 0.00 C ATOM 860 CD GLN A 58 56.610 0.431 9.979 1.00 0.00 C ATOM 861 OE1 GLN A 58 57.064 1.362 10.645 1.00 0.00 O ATOM 862 NE2 GLN A 58 55.548 -0.207 10.389 1.00 0.00 N ATOM 0 H GLN A 58 58.760 2.424 5.218 1.00 0.00 H new ATOM 0 HA GLN A 58 58.961 -0.025 6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 58 58.793 1.553 8.601 1.00 0.00 H new ATOM 0 HB3 GLN A 58 57.228 2.069 8.005 1.00 0.00 H new ATOM 0 HG2 GLN A 58 56.538 -0.422 7.999 1.00 0.00 H new ATOM 0 HG3 GLN A 58 58.026 -0.754 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 58 55.172 -0.978 9.838 1.00 0.00 H new ATOM 0 HE22 GLN A 58 55.094 0.066 11.261 1.00 0.00 H new ATOM 871 N LEU A 59 57.338 0.226 4.485 1.00 0.00 N ATOM 872 CA LEU A 59 56.226 -0.053 3.575 1.00 0.00 C ATOM 873 C LEU A 59 55.775 -1.500 3.729 1.00 0.00 C ATOM 874 O LEU A 59 54.587 -1.789 3.869 1.00 0.00 O ATOM 875 CB LEU A 59 56.628 0.183 2.112 1.00 0.00 C ATOM 876 CG LEU A 59 57.744 1.214 1.888 1.00 0.00 C ATOM 877 CD1 LEU A 59 59.083 0.493 1.704 1.00 0.00 C ATOM 878 CD2 LEU A 59 57.437 2.043 0.637 1.00 0.00 C ATOM 0 H LEU A 59 58.265 0.084 4.084 1.00 0.00 H new ATOM 0 HA LEU A 59 55.413 0.626 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.945 -0.768 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.745 0.504 1.559 1.00 0.00 H new ATOM 0 HG LEU A 59 57.802 1.872 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.873 1.227 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.306 -0.093 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 59 59.024 -0.169 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.231 2.774 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 59 57.374 1.385 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.487 2.562 0.768 1.00 0.00 H new ATOM 890 N GLY A 60 56.747 -2.406 3.697 1.00 0.00 N ATOM 891 CA GLY A 60 56.459 -3.826 3.831 1.00 0.00 C ATOM 892 C GLY A 60 57.722 -4.604 4.182 1.00 0.00 C ATOM 893 O GLY A 60 58.740 -4.511 3.497 1.00 0.00 O ATOM 0 H GLY A 60 57.735 -2.182 3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.706 -3.978 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 60 56.039 -4.206 2.899 1.00 0.00 H new ATOM 897 N ASP A 61 57.641 -5.371 5.265 1.00 0.00 N ATOM 898 CA ASP A 61 58.779 -6.171 5.719 1.00 0.00 C ATOM 899 C ASP A 61 59.266 -7.121 4.623 1.00 0.00 C ATOM 900 O ASP A 61 60.412 -7.575 4.646 1.00 0.00 O ATOM 901 CB ASP A 61 58.392 -6.994 6.950 1.00 0.00 C ATOM 902 CG ASP A 61 58.093 -6.057 8.115 1.00 0.00 C ATOM 903 OD1 ASP A 61 58.936 -5.227 8.414 1.00 0.00 O ATOM 904 OD2 ASP A 61 57.025 -6.183 8.692 1.00 0.00 O ATOM 0 H ASP A 61 56.805 -5.457 5.843 1.00 0.00 H new ATOM 0 HA ASP A 61 59.584 -5.480 5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 61 57.519 -7.608 6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 61 59.201 -7.674 7.215 1.00 0.00 H new ATOM 909 N ASP A 62 58.394 -7.421 3.660 1.00 0.00 N ATOM 910 CA ASP A 62 58.764 -8.321 2.573 1.00 0.00 C ATOM 911 C ASP A 62 59.616 -7.614 1.515 1.00 0.00 C ATOM 912 O ASP A 62 60.045 -8.236 0.542 1.00 0.00 O ATOM 913 CB ASP A 62 57.516 -8.894 1.902 1.00 0.00 C ATOM 914 CG ASP A 62 56.612 -7.753 1.447 1.00 0.00 C ATOM 915 OD1 ASP A 62 56.947 -7.116 0.461 1.00 0.00 O ATOM 916 OD2 ASP A 62 55.599 -7.533 2.090 1.00 0.00 O ATOM 0 H ASP A 62 57.441 -7.059 3.612 1.00 0.00 H new ATOM 0 HA ASP A 62 59.352 -9.126 3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.800 -9.510 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.981 -9.541 2.597 1.00 0.00 H new ATOM 921 N ALA A 63 59.878 -6.317 1.711 1.00 0.00 N ATOM 922 CA ALA A 63 60.701 -5.568 0.764 1.00 0.00 C ATOM 923 C ALA A 63 62.068 -6.227 0.624 1.00 0.00 C ATOM 924 O ALA A 63 62.680 -6.211 -0.444 1.00 0.00 O ATOM 925 CB ALA A 63 60.895 -4.134 1.254 1.00 0.00 C ATOM 0 H ALA A 63 59.537 -5.774 2.504 1.00 0.00 H new ATOM 0 HA ALA A 63 60.194 -5.561 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 63 61.510 -3.586 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.924 -3.647 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 63 61.389 -4.145 2.225 1.00 0.00 H new ATOM 931 N VAL A 64 62.530 -6.817 1.722 1.00 0.00 N ATOM 932 CA VAL A 64 63.821 -7.497 1.727 1.00 0.00 C ATOM 933 C VAL A 64 63.744 -8.789 0.915 1.00 0.00 C ATOM 934 O VAL A 64 64.744 -9.255 0.371 1.00 0.00 O ATOM 935 CB VAL A 64 64.249 -7.830 3.158 1.00 0.00 C ATOM 936 CG1 VAL A 64 65.682 -8.364 3.155 1.00 0.00 C ATOM 937 CG2 VAL A 64 64.181 -6.566 4.020 1.00 0.00 C ATOM 0 H VAL A 64 62.034 -6.838 2.613 1.00 0.00 H new ATOM 0 HA VAL A 64 64.555 -6.828 1.279 1.00 0.00 H new ATOM 0 HB VAL A 64 63.580 -8.587 3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 64 65.984 -8.600 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.733 -9.265 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 64 66.351 -7.608 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 64 64.486 -6.804 5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.849 -5.809 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 64 63.160 -6.185 4.026 1.00 0.00 H new ATOM 947 N GLU A 65 62.543 -9.365 0.838 1.00 0.00 N ATOM 948 CA GLU A 65 62.352 -10.602 0.090 1.00 0.00 C ATOM 949 C GLU A 65 62.518 -10.348 -1.404 1.00 0.00 C ATOM 950 O GLU A 65 63.418 -10.891 -2.046 1.00 0.00 O ATOM 951 CB GLU A 65 60.955 -11.174 0.346 1.00 0.00 C ATOM 952 CG GLU A 65 60.909 -12.633 -0.112 1.00 0.00 C ATOM 953 CD GLU A 65 61.212 -13.548 1.070 1.00 0.00 C ATOM 954 OE1 GLU A 65 62.308 -13.458 1.597 1.00 0.00 O ATOM 955 OE2 GLU A 65 60.344 -14.327 1.429 1.00 0.00 O ATOM 0 H GLU A 65 61.700 -8.998 1.279 1.00 0.00 H new ATOM 0 HA GLU A 65 63.103 -11.318 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.712 -11.107 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.207 -10.590 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 65 59.926 -12.865 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.635 -12.798 -0.909 1.00 0.00 H new ATOM 962 N LYS A 66 61.638 -9.514 -1.949 1.00 0.00 N ATOM 963 CA LYS A 66 61.690 -9.187 -3.371 1.00 0.00 C ATOM 964 C LYS A 66 62.993 -8.468 -3.713 1.00 0.00 C ATOM 965 O LYS A 66 63.484 -8.548 -4.838 1.00 0.00 O ATOM 966 CB LYS A 66 60.512 -8.291 -3.758 1.00 0.00 C ATOM 967 CG LYS A 66 59.201 -8.979 -3.378 1.00 0.00 C ATOM 968 CD LYS A 66 58.027 -8.217 -3.996 1.00 0.00 C ATOM 969 CE LYS A 66 57.541 -7.146 -3.018 1.00 0.00 C ATOM 970 NZ LYS A 66 56.332 -6.476 -3.575 1.00 0.00 N ATOM 0 H LYS A 66 60.887 -9.056 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 66 61.636 -10.122 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.591 -7.330 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.532 -8.089 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 66 59.204 -10.011 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 66 59.096 -9.012 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 66 58.333 -7.755 -4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 66 57.215 -8.906 -4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 66 57.308 -7.598 -2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 66 58.329 -6.413 -2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 56.001 -5.748 -2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 56.569 -6.032 -4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 55.580 -7.180 -3.719 1.00 0.00 H new ATOM 984 N ALA A 67 63.546 -7.758 -2.730 1.00 0.00 N ATOM 985 CA ALA A 67 64.791 -7.023 -2.940 1.00 0.00 C ATOM 986 C ALA A 67 65.915 -7.962 -3.367 1.00 0.00 C ATOM 987 O ALA A 67 66.531 -8.638 -2.542 1.00 0.00 O ATOM 988 CB ALA A 67 65.208 -6.301 -1.659 1.00 0.00 C ATOM 0 H ALA A 67 63.156 -7.677 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 67 64.614 -6.295 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 67 66.137 -5.759 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.427 -5.599 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.357 -7.030 -0.863 1.00 0.00 H new ATOM 994 N THR A 68 66.180 -7.982 -4.668 1.00 0.00 N ATOM 995 CA THR A 68 67.242 -8.824 -5.216 1.00 0.00 C ATOM 996 C THR A 68 68.457 -7.967 -5.564 1.00 0.00 C ATOM 997 O THR A 68 69.596 -8.423 -5.505 1.00 0.00 O ATOM 998 CB THR A 68 66.761 -9.552 -6.474 1.00 0.00 C ATOM 999 OG1 THR A 68 67.838 -10.292 -7.031 1.00 0.00 O ATOM 1000 CG2 THR A 68 66.257 -8.534 -7.499 1.00 0.00 C ATOM 0 H THR A 68 65.678 -7.428 -5.362 1.00 0.00 H new ATOM 0 HA THR A 68 67.516 -9.563 -4.463 1.00 0.00 H new ATOM 0 HB THR A 68 65.949 -10.230 -6.211 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.532 -10.760 -7.836 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.916 -9.056 -8.393 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.430 -7.967 -7.072 1.00 0.00 H new ATOM 0 HG23 THR A 68 67.066 -7.853 -7.763 1.00 0.00 H new ATOM 1008 N THR A 69 68.193 -6.712 -5.919 1.00 0.00 N ATOM 1009 CA THR A 69 69.260 -5.779 -6.264 1.00 0.00 C ATOM 1010 C THR A 69 69.242 -4.609 -5.277 1.00 0.00 C ATOM 1011 O THR A 69 68.283 -4.451 -4.522 1.00 0.00 O ATOM 1012 CB THR A 69 69.064 -5.228 -7.690 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.740 -5.499 -8.130 1.00 0.00 O ATOM 1014 CG2 THR A 69 70.059 -5.883 -8.646 1.00 0.00 C ATOM 0 H THR A 69 67.253 -6.320 -5.975 1.00 0.00 H new ATOM 0 HA THR A 69 70.213 -6.307 -6.216 1.00 0.00 H new ATOM 0 HB THR A 69 69.233 -4.151 -7.679 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.618 -5.146 -9.036 1.00 0.00 H new ATOM 0 HG21 THR A 69 69.913 -5.487 -9.651 1.00 0.00 H new ATOM 0 HG22 THR A 69 71.076 -5.669 -8.316 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.900 -6.961 -8.654 1.00 0.00 H new ATOM 1022 N PRO A 70 70.276 -3.757 -5.279 1.00 0.00 N ATOM 1023 CA PRO A 70 70.308 -2.597 -4.373 1.00 0.00 C ATOM 1024 C PRO A 70 69.276 -1.555 -4.783 1.00 0.00 C ATOM 1025 O PRO A 70 68.704 -0.859 -3.945 1.00 0.00 O ATOM 1026 CB PRO A 70 71.732 -2.081 -4.537 1.00 0.00 C ATOM 1027 CG PRO A 70 72.221 -2.582 -5.887 1.00 0.00 C ATOM 1028 CD PRO A 70 71.452 -3.873 -6.174 1.00 0.00 C ATOM 0 HA PRO A 70 70.063 -2.842 -3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 70 71.757 -0.992 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.372 -2.446 -3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.039 -1.841 -6.665 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.295 -2.766 -5.867 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.158 -3.945 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.047 -4.758 -5.948 1.00 0.00 H new ATOM 1036 N ARG A 71 69.027 -1.480 -6.088 1.00 0.00 N ATOM 1037 CA ARG A 71 68.040 -0.546 -6.611 1.00 0.00 C ATOM 1038 C ARG A 71 66.640 -0.918 -6.118 1.00 0.00 C ATOM 1039 O ARG A 71 65.747 -0.072 -6.058 1.00 0.00 O ATOM 1040 CB ARG A 71 68.047 -0.560 -8.139 1.00 0.00 C ATOM 1041 CG ARG A 71 69.437 -0.175 -8.643 1.00 0.00 C ATOM 1042 CD ARG A 71 69.579 1.348 -8.640 1.00 0.00 C ATOM 1043 NE ARG A 71 70.430 1.785 -9.747 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.838 3.056 -9.875 1.00 0.00 C ATOM 1045 NH1 ARG A 71 70.486 3.974 -9.008 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.599 3.385 -10.883 1.00 0.00 N ATOM 0 H ARG A 71 69.491 -2.050 -6.795 1.00 0.00 H new ATOM 0 HA ARG A 71 68.299 0.451 -6.256 1.00 0.00 H new ATOM 0 HB2 ARG A 71 67.776 -1.550 -8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.303 0.137 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.202 -0.623 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.590 -0.563 -9.650 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.596 1.811 -8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 71 70.006 1.678 -7.693 1.00 0.00 H new ATOM 0 HE ARG A 71 70.723 1.100 -10.444 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.891 3.727 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 71 70.807 4.935 -9.124 1.00 0.00 H new ATOM 0 HH21 ARG A 71 71.878 2.678 -11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 71 71.915 4.349 -10.990 1.00 0.00 H new ATOM 1060 N ALA A 72 66.455 -2.193 -5.756 1.00 0.00 N ATOM 1061 CA ALA A 72 65.159 -2.649 -5.263 1.00 0.00 C ATOM 1062 C ALA A 72 64.910 -2.065 -3.887 1.00 0.00 C ATOM 1063 O ALA A 72 63.903 -1.397 -3.650 1.00 0.00 O ATOM 1064 CB ALA A 72 65.114 -4.173 -5.169 1.00 0.00 C ATOM 0 H ALA A 72 67.176 -2.914 -5.795 1.00 0.00 H new ATOM 0 HA ALA A 72 64.391 -2.317 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.138 -4.486 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.283 -4.604 -6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 72 65.889 -4.518 -4.485 1.00 0.00 H new ATOM 1070 N LEU A 73 65.856 -2.307 -2.982 1.00 0.00 N ATOM 1071 CA LEU A 73 65.752 -1.781 -1.624 1.00 0.00 C ATOM 1072 C LEU A 73 65.609 -0.269 -1.673 1.00 0.00 C ATOM 1073 O LEU A 73 64.650 0.293 -1.152 1.00 0.00 O ATOM 1074 CB LEU A 73 67.000 -2.123 -0.808 1.00 0.00 C ATOM 1075 CG LEU A 73 67.313 -3.613 -0.692 1.00 0.00 C ATOM 1076 CD1 LEU A 73 68.722 -3.795 -0.126 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.299 -4.272 0.244 1.00 0.00 C ATOM 0 H LEU A 73 66.695 -2.858 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 73 64.880 -2.233 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.857 -1.622 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 73 66.882 -1.714 0.195 1.00 0.00 H new ATOM 0 HG LEU A 73 67.255 -4.076 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 73 68.946 -4.858 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.445 -3.323 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 73 68.780 -3.334 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.520 -5.336 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.359 -3.809 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.294 -4.141 -0.158 1.00 0.00 H new ATOM 1089 N ILE A 74 66.574 0.373 -2.342 1.00 0.00 N ATOM 1090 CA ILE A 74 66.573 1.836 -2.496 1.00 0.00 C ATOM 1091 C ILE A 74 65.215 2.315 -3.012 1.00 0.00 C ATOM 1092 O ILE A 74 64.704 3.348 -2.587 1.00 0.00 O ATOM 1093 CB ILE A 74 67.668 2.274 -3.485 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.040 1.833 -2.967 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.669 3.800 -3.637 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.033 1.803 -4.132 1.00 0.00 C ATOM 0 H ILE A 74 67.365 -0.095 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 74 66.769 2.279 -1.519 1.00 0.00 H new ATOM 0 HB ILE A 74 67.465 1.811 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.388 2.519 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 74 68.969 0.847 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.449 4.095 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.700 4.129 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 74 67.860 4.262 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.011 1.490 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.685 1.100 -4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.110 2.798 -4.570 1.00 0.00 H new ATOM 1108 N GLU A 75 64.639 1.549 -3.928 1.00 0.00 N ATOM 1109 CA GLU A 75 63.343 1.906 -4.485 1.00 0.00 C ATOM 1110 C GLU A 75 62.281 1.846 -3.399 1.00 0.00 C ATOM 1111 O GLU A 75 61.476 2.765 -3.243 1.00 0.00 O ATOM 1112 CB GLU A 75 62.962 0.949 -5.615 1.00 0.00 C ATOM 1113 CG GLU A 75 63.565 1.445 -6.930 1.00 0.00 C ATOM 1114 CD GLU A 75 62.638 2.482 -7.556 1.00 0.00 C ATOM 1115 OE1 GLU A 75 61.469 2.178 -7.726 1.00 0.00 O ATOM 1116 OE2 GLU A 75 63.112 3.565 -7.857 1.00 0.00 O ATOM 0 H GLU A 75 65.042 0.688 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 75 63.407 2.919 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.324 -0.055 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 75 61.877 0.885 -5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 75 64.547 1.881 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 75 63.708 0.609 -7.615 1.00 0.00 H new ATOM 1123 N MET A 76 62.293 0.755 -2.646 1.00 0.00 N ATOM 1124 CA MET A 76 61.333 0.579 -1.567 1.00 0.00 C ATOM 1125 C MET A 76 61.551 1.631 -0.482 1.00 0.00 C ATOM 1126 O MET A 76 60.599 2.135 0.114 1.00 0.00 O ATOM 1127 CB MET A 76 61.479 -0.813 -0.954 1.00 0.00 C ATOM 1128 CG MET A 76 60.776 -1.840 -1.847 1.00 0.00 C ATOM 1129 SD MET A 76 61.645 -3.425 -1.754 1.00 0.00 S ATOM 1130 CE MET A 76 61.094 -4.080 -3.348 1.00 0.00 C ATOM 0 H MET A 76 62.951 -0.015 -2.761 1.00 0.00 H new ATOM 0 HA MET A 76 60.331 0.692 -1.980 1.00 0.00 H new ATOM 0 HB2 MET A 76 62.534 -1.067 -0.850 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.047 -0.829 0.047 1.00 0.00 H new ATOM 0 HG2 MET A 76 59.740 -1.963 -1.531 1.00 0.00 H new ATOM 0 HG3 MET A 76 60.754 -1.486 -2.878 1.00 0.00 H new ATOM 0 HE1 MET A 76 61.520 -5.072 -3.501 1.00 0.00 H new ATOM 0 HE2 MET A 76 60.006 -4.147 -3.357 1.00 0.00 H new ATOM 0 HE3 MET A 76 61.423 -3.416 -4.148 1.00 0.00 H new ATOM 1140 N THR A 77 62.818 1.953 -0.228 1.00 0.00 N ATOM 1141 CA THR A 77 63.152 2.943 0.795 1.00 0.00 C ATOM 1142 C THR A 77 62.844 4.357 0.309 1.00 0.00 C ATOM 1143 O THR A 77 62.285 5.169 1.041 1.00 0.00 O ATOM 1144 CB THR A 77 64.641 2.849 1.163 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.341 2.216 0.106 1.00 0.00 O ATOM 1146 CG2 THR A 77 64.805 2.042 2.458 1.00 0.00 C ATOM 0 H THR A 77 63.621 1.549 -0.709 1.00 0.00 H new ATOM 0 HA THR A 77 62.544 2.731 1.674 1.00 0.00 H new ATOM 0 HB THR A 77 65.045 3.849 1.318 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.173 1.251 0.134 1.00 0.00 H new ATOM 0 HG21 THR A 77 65.862 1.978 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.264 2.536 3.265 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.405 1.038 2.314 1.00 0.00 H new ATOM 1154 N ASN A 78 63.215 4.641 -0.933 1.00 0.00 N ATOM 1155 CA ASN A 78 62.978 5.964 -1.506 1.00 0.00 C ATOM 1156 C ASN A 78 61.493 6.169 -1.779 1.00 0.00 C ATOM 1157 O ASN A 78 60.975 7.280 -1.682 1.00 0.00 O ATOM 1158 CB ASN A 78 63.743 6.117 -2.820 1.00 0.00 C ATOM 1159 CG ASN A 78 65.208 6.431 -2.532 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.690 7.527 -2.814 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.959 5.524 -1.981 1.00 0.00 N ATOM 0 H ASN A 78 63.677 3.982 -1.559 1.00 0.00 H new ATOM 0 HA ASN A 78 63.324 6.708 -0.788 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.666 5.200 -3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 78 63.301 6.914 -3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.940 5.724 -1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.567 4.613 -1.744 1.00 0.00 H new ATOM 1168 N ALA A 79 60.823 5.079 -2.129 1.00 0.00 N ATOM 1169 CA ALA A 79 59.397 5.119 -2.430 1.00 0.00 C ATOM 1170 C ALA A 79 58.592 5.408 -1.173 1.00 0.00 C ATOM 1171 O ALA A 79 57.575 6.101 -1.210 1.00 0.00 O ATOM 1172 CB ALA A 79 58.938 3.781 -3.008 1.00 0.00 C ATOM 0 H ALA A 79 61.245 4.154 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 79 59.232 5.912 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.871 3.826 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.489 3.573 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.126 2.988 -2.284 1.00 0.00 H new ATOM 1178 N SER A 80 59.060 4.864 -0.058 1.00 0.00 N ATOM 1179 CA SER A 80 58.381 5.060 1.213 1.00 0.00 C ATOM 1180 C SER A 80 58.505 6.512 1.653 1.00 0.00 C ATOM 1181 O SER A 80 57.535 7.137 2.082 1.00 0.00 O ATOM 1182 CB SER A 80 58.982 4.143 2.288 1.00 0.00 C ATOM 1183 OG SER A 80 60.118 4.768 2.881 1.00 0.00 O ATOM 0 H SER A 80 59.900 4.288 -0.008 1.00 0.00 H new ATOM 0 HA SER A 80 57.328 4.811 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.235 3.926 3.052 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.271 3.190 1.845 1.00 0.00 H new ATOM 0 HG SER A 80 60.833 4.847 2.215 1.00 0.00 H new ATOM 1189 N LEU A 81 59.719 7.030 1.546 1.00 0.00 N ATOM 1190 CA LEU A 81 59.985 8.404 1.938 1.00 0.00 C ATOM 1191 C LEU A 81 59.276 9.381 1.012 1.00 0.00 C ATOM 1192 O LEU A 81 58.633 10.328 1.463 1.00 0.00 O ATOM 1193 CB LEU A 81 61.484 8.657 1.903 1.00 0.00 C ATOM 1194 CG LEU A 81 62.295 7.695 2.770 1.00 0.00 C ATOM 1195 CD1 LEU A 81 63.771 7.778 2.397 1.00 0.00 C ATOM 1196 CD2 LEU A 81 62.113 8.066 4.239 1.00 0.00 C ATOM 0 H LEU A 81 60.531 6.523 1.193 1.00 0.00 H new ATOM 0 HA LEU A 81 59.607 8.557 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 81 61.831 8.582 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 81 61.678 9.678 2.231 1.00 0.00 H new ATOM 0 HG LEU A 81 61.945 6.676 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 81 64.343 7.090 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 81 63.897 7.509 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 81 64.130 8.795 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 81 62.690 7.382 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 81 62.461 9.086 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 81 61.058 7.995 4.504 1.00 0.00 H new ATOM 1208 N THR A 82 59.393 9.140 -0.288 1.00 0.00 N ATOM 1209 CA THR A 82 58.745 10.015 -1.263 1.00 0.00 C ATOM 1210 C THR A 82 57.231 9.794 -1.250 1.00 0.00 C ATOM 1211 O THR A 82 56.456 10.709 -1.528 1.00 0.00 O ATOM 1212 CB THR A 82 59.295 9.770 -2.677 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.731 10.720 -3.570 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.947 8.356 -3.153 1.00 0.00 C ATOM 0 H THR A 82 59.919 8.363 -0.688 1.00 0.00 H new ATOM 0 HA THR A 82 58.960 11.046 -0.984 1.00 0.00 H new ATOM 0 HB THR A 82 60.380 9.875 -2.656 1.00 0.00 H new ATOM 0 HG1 THR A 82 59.081 10.568 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 82 59.345 8.202 -4.156 1.00 0.00 H new ATOM 0 HG22 THR A 82 59.384 7.625 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.864 8.234 -3.169 1.00 0.00 H new ATOM 1222 N GLY A 83 56.823 8.568 -0.926 1.00 0.00 N ATOM 1223 CA GLY A 83 55.401 8.240 -0.882 1.00 0.00 C ATOM 1224 C GLY A 83 54.864 8.309 0.545 1.00 0.00 C ATOM 1225 O GLY A 83 53.898 7.629 0.889 1.00 0.00 O ATOM 0 H GLY A 83 57.448 7.796 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.846 8.931 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.243 7.240 -1.285 1.00 0.00 H new