USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 537 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot 80:sc= 1.39 USER MOD Set 1.2: A 48 THR OG1 : rot -16:sc= 1.2 USER MOD Single : A 6 THR OG1 : rot -60:sc= 0.769 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 163:sc= -1.02! USER MOD Single : A 42 SER OG : rot 180:sc= -0.0308 USER MOD Single : A 46 MET CE :methyl 147:sc= -1.42 (180deg=-1.64) USER MOD Single : A 54 SER OG : rot 75:sc= 1.2 USER MOD Single : A 56 TYR OH : rot 177:sc= 1.28 USER MOD Single : A 59 SER OG : rot 42:sc= 0.0325 USER MOD Single : A 70 THR OG1 : rot -37:sc= 0.167 USER MOD Single : A 79 ASN : amide:sc= -1.97 K(o=-2,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -11.608 -7.955 1.189 1.00 0.86 N ATOM 45 CA LEU A 4 -10.481 -7.382 1.902 1.00 0.72 C ATOM 46 C LEU A 4 -9.189 -8.059 1.489 1.00 0.67 C ATOM 47 O LEU A 4 -8.937 -9.212 1.848 1.00 0.83 O ATOM 48 CB LEU A 4 -10.642 -7.442 3.443 1.00 0.71 C ATOM 49 CG LEU A 4 -11.551 -6.392 4.120 1.00 0.87 C ATOM 50 CD1 LEU A 4 -12.988 -6.516 3.692 1.00 0.80 C ATOM 51 CD2 LEU A 4 -11.440 -6.489 5.633 1.00 1.75 C ATOM 0 HA LEU A 4 -10.447 -6.328 1.626 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -11.024 -8.430 3.700 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -9.649 -7.359 3.886 1.00 0.71 H new ATOM 0 HG LEU A 4 -11.202 -5.411 3.796 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -13.585 -5.756 4.196 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -13.060 -6.377 2.613 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -13.362 -7.505 3.956 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -12.087 -5.742 6.094 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -11.746 -7.484 5.957 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -10.408 -6.311 5.934 1.00 1.75 H new ATOM 63 N LEU A 5 -8.408 -7.353 0.689 1.00 0.55 N ATOM 64 CA LEU A 5 -7.115 -7.827 0.262 1.00 0.51 C ATOM 65 C LEU A 5 -6.217 -8.025 1.480 1.00 0.46 C ATOM 66 O LEU A 5 -6.328 -7.280 2.482 1.00 0.50 O ATOM 67 CB LEU A 5 -6.520 -6.883 -0.813 1.00 0.53 C ATOM 68 CG LEU A 5 -6.307 -5.402 -0.448 1.00 0.62 C ATOM 69 CD1 LEU A 5 -4.982 -5.186 0.243 1.00 0.66 C ATOM 70 CD2 LEU A 5 -6.407 -4.529 -1.681 1.00 0.95 C ATOM 0 H LEU A 5 -8.658 -6.435 0.320 1.00 0.55 H new ATOM 0 HA LEU A 5 -7.206 -8.800 -0.220 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -5.557 -7.292 -1.118 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -7.172 -6.920 -1.685 1.00 0.53 H new ATOM 0 HG LEU A 5 -7.096 -5.118 0.248 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -4.866 -4.130 0.486 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -4.950 -5.775 1.160 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -4.172 -5.498 -0.417 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -6.254 -3.487 -1.402 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -5.645 -4.828 -2.401 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -7.394 -4.643 -2.129 1.00 0.95 H new ATOM 82 N THR A 6 -5.354 -8.992 1.405 1.00 0.47 N ATOM 83 CA THR A 6 -4.593 -9.411 2.548 1.00 0.49 C ATOM 84 C THR A 6 -3.333 -8.577 2.769 1.00 0.40 C ATOM 85 O THR A 6 -3.029 -7.648 2.003 1.00 0.38 O ATOM 86 CB THR A 6 -4.225 -10.913 2.451 1.00 0.70 C ATOM 87 OG1 THR A 6 -3.511 -11.169 1.219 1.00 0.82 O ATOM 88 CG2 THR A 6 -5.475 -11.783 2.501 1.00 0.93 C ATOM 0 H THR A 6 -5.156 -9.514 0.552 1.00 0.47 H new ATOM 0 HA THR A 6 -5.238 -9.252 3.412 1.00 0.49 H new ATOM 0 HB THR A 6 -3.590 -11.162 3.301 1.00 0.70 H new ATOM 0 HG1 THR A 6 -4.080 -10.934 0.456 1.00 0.82 H new ATOM 0 HG21 THR A 6 -5.191 -12.833 2.431 1.00 0.93 H new ATOM 0 HG22 THR A 6 -6.001 -11.611 3.440 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.129 -11.528 1.667 1.00 0.93 H new ATOM 96 N THR A 7 -2.578 -8.941 3.783 1.00 0.44 N ATOM 97 CA THR A 7 -1.334 -8.298 4.078 1.00 0.42 C ATOM 98 C THR A 7 -0.262 -8.877 3.138 1.00 0.37 C ATOM 99 O THR A 7 0.795 -8.279 2.905 1.00 0.39 O ATOM 100 CB THR A 7 -0.969 -8.549 5.553 1.00 0.50 C ATOM 101 OG1 THR A 7 -2.125 -8.244 6.360 1.00 0.58 O ATOM 102 CG2 THR A 7 0.193 -7.670 5.996 1.00 0.54 C ATOM 0 H THR A 7 -2.819 -9.697 4.424 1.00 0.44 H new ATOM 0 HA THR A 7 -1.404 -7.221 3.925 1.00 0.42 H new ATOM 0 HB THR A 7 -0.668 -9.590 5.670 1.00 0.50 H new ATOM 0 HG1 THR A 7 -1.915 -8.399 7.305 1.00 0.58 H new ATOM 0 HG21 THR A 7 0.424 -7.873 7.042 1.00 0.54 H new ATOM 0 HG22 THR A 7 1.067 -7.886 5.382 1.00 0.54 H new ATOM 0 HG23 THR A 7 -0.080 -6.621 5.882 1.00 0.54 H new ATOM 110 N ASP A 8 -0.594 -10.022 2.561 1.00 0.41 N ATOM 111 CA ASP A 8 0.239 -10.686 1.590 1.00 0.46 C ATOM 112 C ASP A 8 0.212 -9.875 0.311 1.00 0.42 C ATOM 113 O ASP A 8 1.250 -9.609 -0.303 1.00 0.47 O ATOM 114 CB ASP A 8 -0.279 -12.104 1.337 1.00 0.62 C ATOM 115 CG ASP A 8 0.668 -12.936 0.525 1.00 1.41 C ATOM 116 OD1 ASP A 8 1.561 -13.575 1.095 1.00 2.01 O ATOM 117 OD2 ASP A 8 0.512 -12.970 -0.718 1.00 1.98 O ATOM 0 H ASP A 8 -1.463 -10.517 2.762 1.00 0.41 H new ATOM 0 HA ASP A 8 1.262 -10.762 1.958 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.458 -12.596 2.293 1.00 0.62 H new ATOM 0 HB3 ASP A 8 -1.238 -12.048 0.822 1.00 0.62 H new ATOM 122 N ASP A 9 -0.995 -9.432 -0.051 1.00 0.41 N ATOM 123 CA ASP A 9 -1.197 -8.549 -1.211 1.00 0.46 C ATOM 124 C ASP A 9 -0.440 -7.271 -1.003 1.00 0.40 C ATOM 125 O ASP A 9 0.232 -6.785 -1.902 1.00 0.46 O ATOM 126 CB ASP A 9 -2.674 -8.165 -1.415 1.00 0.54 C ATOM 127 CG ASP A 9 -3.572 -9.301 -1.782 1.00 0.98 C ATOM 128 OD1 ASP A 9 -3.654 -9.648 -2.973 1.00 1.21 O ATOM 129 OD2 ASP A 9 -4.191 -9.885 -0.880 1.00 1.83 O ATOM 0 H ASP A 9 -1.854 -9.670 0.444 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.848 -9.100 -2.084 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -3.046 -7.708 -0.498 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.733 -7.407 -2.196 1.00 0.54 H new ATOM 134 N LEU A 10 -0.558 -6.735 0.205 1.00 0.36 N ATOM 135 CA LEU A 10 0.090 -5.495 0.587 1.00 0.35 C ATOM 136 C LEU A 10 1.613 -5.600 0.460 1.00 0.33 C ATOM 137 O LEU A 10 2.245 -4.721 -0.107 1.00 0.36 O ATOM 138 CB LEU A 10 -0.309 -5.106 2.013 1.00 0.37 C ATOM 139 CG LEU A 10 0.210 -3.760 2.520 1.00 0.41 C ATOM 140 CD1 LEU A 10 -0.375 -2.609 1.710 1.00 0.51 C ATOM 141 CD2 LEU A 10 -0.108 -3.593 3.988 1.00 0.48 C ATOM 0 H LEU A 10 -1.112 -7.155 0.951 1.00 0.36 H new ATOM 0 HA LEU A 10 -0.245 -4.714 -0.096 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.397 -5.097 2.073 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.041 -5.885 2.690 1.00 0.37 H new ATOM 0 HG LEU A 10 1.293 -3.743 2.394 1.00 0.41 H new ATOM 0 HD11 LEU A 10 0.010 -1.663 2.091 1.00 0.51 H new ATOM 0 HD12 LEU A 10 -0.093 -2.720 0.663 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -1.462 -2.619 1.796 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.268 -2.630 4.334 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -1.187 -3.635 4.134 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.366 -4.393 4.556 1.00 0.48 H new ATOM 153 N ARG A 11 2.178 -6.698 0.962 1.00 0.33 N ATOM 154 CA ARG A 11 3.626 -6.946 0.887 1.00 0.37 C ATOM 155 C ARG A 11 4.071 -6.926 -0.566 1.00 0.39 C ATOM 156 O ARG A 11 5.064 -6.297 -0.929 1.00 0.45 O ATOM 157 CB ARG A 11 3.960 -8.314 1.494 1.00 0.45 C ATOM 158 CG ARG A 11 5.452 -8.614 1.597 1.00 0.72 C ATOM 159 CD ARG A 11 5.704 -10.052 2.027 1.00 0.63 C ATOM 160 NE ARG A 11 5.306 -10.998 0.977 1.00 1.12 N ATOM 161 CZ ARG A 11 4.280 -11.856 1.044 1.00 1.36 C ATOM 162 NH1 ARG A 11 3.577 -11.999 2.159 1.00 1.47 N ATOM 163 NH2 ARG A 11 3.988 -12.599 0.003 1.00 2.27 N ATOM 0 H ARG A 11 1.654 -7.438 1.429 1.00 0.33 H new ATOM 0 HA ARG A 11 4.145 -6.167 1.445 1.00 0.37 H new ATOM 0 HB2 ARG A 11 3.521 -8.372 2.490 1.00 0.45 H new ATOM 0 HB3 ARG A 11 3.487 -9.090 0.892 1.00 0.45 H new ATOM 0 HG2 ARG A 11 5.928 -8.433 0.633 1.00 0.72 H new ATOM 0 HG3 ARG A 11 5.912 -7.933 2.313 1.00 0.72 H new ATOM 0 HD2 ARG A 11 6.761 -10.185 2.258 1.00 0.63 H new ATOM 0 HD3 ARG A 11 5.148 -10.264 2.941 1.00 0.63 H new ATOM 0 HE ARG A 11 5.860 -11.002 0.121 1.00 1.12 H new ATOM 0 HH11 ARG A 11 3.814 -11.450 2.985 1.00 1.47 H new ATOM 0 HH12 ARG A 11 2.799 -12.658 2.190 1.00 1.47 H new ATOM 0 HH21 ARG A 11 4.541 -12.521 -0.850 1.00 2.27 H new ATOM 0 HH22 ARG A 11 3.208 -13.255 0.047 1.00 2.27 H new ATOM 177 N ARG A 12 3.293 -7.590 -1.388 1.00 0.40 N ATOM 178 CA ARG A 12 3.556 -7.682 -2.801 1.00 0.48 C ATOM 179 C ARG A 12 3.399 -6.345 -3.496 1.00 0.47 C ATOM 180 O ARG A 12 4.182 -6.019 -4.361 1.00 0.50 O ATOM 181 CB ARG A 12 2.655 -8.717 -3.441 1.00 0.56 C ATOM 182 CG ARG A 12 2.978 -10.148 -3.047 1.00 0.94 C ATOM 183 CD ARG A 12 2.039 -11.119 -3.725 1.00 1.18 C ATOM 184 NE ARG A 12 2.067 -10.955 -5.181 1.00 1.76 N ATOM 185 CZ ARG A 12 1.191 -11.472 -6.039 1.00 2.29 C ATOM 186 NH1 ARG A 12 0.242 -12.312 -5.630 1.00 2.31 N ATOM 187 NH2 ARG A 12 1.289 -11.151 -7.320 1.00 3.30 N ATOM 0 H ARG A 12 2.453 -8.085 -1.090 1.00 0.40 H new ATOM 0 HA ARG A 12 4.594 -7.992 -2.918 1.00 0.48 H new ATOM 0 HB2 ARG A 12 1.622 -8.501 -3.170 1.00 0.56 H new ATOM 0 HB3 ARG A 12 2.726 -8.625 -4.525 1.00 0.56 H new ATOM 0 HG2 ARG A 12 4.007 -10.381 -3.319 1.00 0.94 H new ATOM 0 HG3 ARG A 12 2.902 -10.258 -1.965 1.00 0.94 H new ATOM 0 HD2 ARG A 12 2.319 -12.140 -3.466 1.00 1.18 H new ATOM 0 HD3 ARG A 12 1.024 -10.964 -3.358 1.00 1.18 H new ATOM 0 HE ARG A 12 2.825 -10.395 -5.571 1.00 1.76 H new ATOM 0 HH11 ARG A 12 0.178 -12.569 -4.645 1.00 2.31 H new ATOM 0 HH12 ARG A 12 -0.421 -12.699 -6.302 1.00 2.31 H new ATOM 0 HH21 ARG A 12 2.026 -10.519 -7.632 1.00 3.30 H new ATOM 0 HH22 ARG A 12 0.628 -11.536 -7.994 1.00 3.30 H new ATOM 201 N ALA A 13 2.395 -5.580 -3.096 1.00 0.47 N ATOM 202 CA ALA A 13 2.105 -4.252 -3.669 1.00 0.53 C ATOM 203 C ALA A 13 3.315 -3.319 -3.597 1.00 0.46 C ATOM 204 O ALA A 13 3.586 -2.561 -4.542 1.00 0.48 O ATOM 205 CB ALA A 13 0.907 -3.624 -2.980 1.00 0.63 C ATOM 0 H ALA A 13 1.746 -5.856 -2.359 1.00 0.47 H new ATOM 0 HA ALA A 13 1.870 -4.398 -4.723 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.708 -2.645 -3.416 1.00 0.63 H new ATOM 0 HB2 ALA A 13 0.035 -4.264 -3.112 1.00 0.63 H new ATOM 0 HB3 ALA A 13 1.117 -3.512 -1.916 1.00 0.63 H new ATOM 211 N LEU A 14 4.045 -3.374 -2.491 1.00 0.42 N ATOM 212 CA LEU A 14 5.265 -2.602 -2.377 1.00 0.39 C ATOM 213 C LEU A 14 6.300 -3.124 -3.366 1.00 0.40 C ATOM 214 O LEU A 14 6.894 -2.359 -4.109 1.00 0.46 O ATOM 215 CB LEU A 14 5.842 -2.588 -0.934 1.00 0.45 C ATOM 216 CG LEU A 14 5.178 -1.648 0.113 1.00 0.54 C ATOM 217 CD1 LEU A 14 5.202 -0.205 -0.348 1.00 0.44 C ATOM 218 CD2 LEU A 14 3.764 -2.070 0.466 1.00 1.00 C ATOM 0 H LEU A 14 3.814 -3.938 -1.673 1.00 0.42 H new ATOM 0 HA LEU A 14 5.017 -1.568 -2.616 1.00 0.39 H new ATOM 0 HB2 LEU A 14 5.794 -3.605 -0.546 1.00 0.45 H new ATOM 0 HB3 LEU A 14 6.897 -2.321 -1.000 1.00 0.45 H new ATOM 0 HG LEU A 14 5.775 -1.734 1.021 1.00 0.54 H new ATOM 0 HD11 LEU A 14 4.731 0.426 0.406 1.00 0.44 H new ATOM 0 HD12 LEU A 14 6.234 0.113 -0.494 1.00 0.44 H new ATOM 0 HD13 LEU A 14 4.658 -0.114 -1.288 1.00 0.44 H new ATOM 0 HD21 LEU A 14 3.351 -1.379 1.200 1.00 1.00 H new ATOM 0 HD22 LEU A 14 3.146 -2.058 -0.432 1.00 1.00 H new ATOM 0 HD23 LEU A 14 3.778 -3.077 0.884 1.00 1.00 H new ATOM 230 N VAL A 15 6.442 -4.438 -3.437 1.00 0.44 N ATOM 231 CA VAL A 15 7.412 -5.074 -4.336 1.00 0.53 C ATOM 232 C VAL A 15 7.095 -4.745 -5.817 1.00 0.55 C ATOM 233 O VAL A 15 8.007 -4.525 -6.615 1.00 0.64 O ATOM 234 CB VAL A 15 7.489 -6.615 -4.102 1.00 0.61 C ATOM 235 CG1 VAL A 15 8.543 -7.255 -4.992 1.00 0.74 C ATOM 236 CG2 VAL A 15 7.797 -6.913 -2.638 1.00 0.64 C ATOM 0 H VAL A 15 5.896 -5.096 -2.881 1.00 0.44 H new ATOM 0 HA VAL A 15 8.394 -4.663 -4.104 1.00 0.53 H new ATOM 0 HB VAL A 15 6.519 -7.041 -4.359 1.00 0.61 H new ATOM 0 HG11 VAL A 15 8.573 -8.329 -4.806 1.00 0.74 H new ATOM 0 HG12 VAL A 15 8.294 -7.075 -6.038 1.00 0.74 H new ATOM 0 HG13 VAL A 15 9.518 -6.821 -4.771 1.00 0.74 H new ATOM 0 HG21 VAL A 15 7.848 -7.992 -2.489 1.00 0.64 H new ATOM 0 HG22 VAL A 15 8.753 -6.464 -2.369 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.011 -6.497 -2.009 1.00 0.64 H new ATOM 246 N GLU A 16 5.791 -4.637 -6.136 1.00 0.59 N ATOM 247 CA GLU A 16 5.294 -4.241 -7.484 1.00 0.69 C ATOM 248 C GLU A 16 5.894 -2.878 -7.882 1.00 0.65 C ATOM 249 O GLU A 16 6.097 -2.580 -9.059 1.00 0.77 O ATOM 250 CB GLU A 16 3.760 -4.048 -7.454 1.00 0.89 C ATOM 251 CG GLU A 16 2.894 -5.249 -7.062 1.00 1.11 C ATOM 252 CD GLU A 16 2.729 -6.310 -8.131 1.00 1.54 C ATOM 253 OE1 GLU A 16 2.897 -5.979 -9.324 1.00 1.95 O ATOM 254 OE2 GLU A 16 2.529 -7.496 -7.798 1.00 2.18 O ATOM 0 H GLU A 16 5.042 -4.821 -5.468 1.00 0.59 H new ATOM 0 HA GLU A 16 5.578 -5.025 -8.186 1.00 0.69 H new ATOM 0 HB2 GLU A 16 3.539 -3.236 -6.761 1.00 0.89 H new ATOM 0 HB3 GLU A 16 3.445 -3.718 -8.444 1.00 0.89 H new ATOM 0 HG2 GLU A 16 3.328 -5.714 -6.177 1.00 1.11 H new ATOM 0 HG3 GLU A 16 1.906 -4.886 -6.780 1.00 1.11 H new ATOM 261 N SER A 17 6.160 -2.068 -6.883 1.00 0.59 N ATOM 262 CA SER A 17 6.660 -0.730 -7.075 1.00 0.64 C ATOM 263 C SER A 17 8.199 -0.718 -6.989 1.00 0.74 C ATOM 264 O SER A 17 8.875 0.051 -7.685 1.00 1.04 O ATOM 265 CB SER A 17 6.062 0.150 -5.985 1.00 0.68 C ATOM 266 OG SER A 17 4.654 -0.082 -5.875 1.00 1.27 O ATOM 0 H SER A 17 6.033 -2.325 -5.904 1.00 0.59 H new ATOM 0 HA SER A 17 6.378 -0.357 -8.060 1.00 0.64 H new ATOM 0 HB2 SER A 17 6.547 -0.060 -5.032 1.00 0.68 H new ATOM 0 HB3 SER A 17 6.248 1.200 -6.213 1.00 0.68 H new ATOM 0 HG SER A 17 4.497 -0.901 -5.361 1.00 1.27 H new ATOM 272 N ALA A 18 8.738 -1.582 -6.131 1.00 0.70 N ATOM 273 CA ALA A 18 10.170 -1.691 -5.908 1.00 0.87 C ATOM 274 C ALA A 18 10.907 -2.126 -7.166 1.00 1.05 C ATOM 275 O ALA A 18 11.982 -1.597 -7.477 1.00 1.57 O ATOM 276 CB ALA A 18 10.463 -2.642 -4.758 1.00 0.95 C ATOM 0 H ALA A 18 8.185 -2.229 -5.569 1.00 0.70 H new ATOM 0 HA ALA A 18 10.536 -0.699 -5.642 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.540 -2.710 -4.607 1.00 0.95 H new ATOM 0 HB2 ALA A 18 9.992 -2.269 -3.848 1.00 0.95 H new ATOM 0 HB3 ALA A 18 10.067 -3.630 -4.993 1.00 0.95 H new ATOM 400 N ASP A 29 7.789 -8.218 9.374 1.00 0.90 N ATOM 401 CA ASP A 29 6.813 -7.172 9.588 1.00 0.83 C ATOM 402 C ASP A 29 7.244 -5.976 8.826 1.00 0.79 C ATOM 403 O ASP A 29 8.436 -5.684 8.755 1.00 1.33 O ATOM 404 CB ASP A 29 6.656 -6.778 11.069 1.00 1.20 C ATOM 405 CG ASP A 29 5.590 -5.687 11.262 1.00 1.95 C ATOM 406 OD1 ASP A 29 5.928 -4.504 11.138 1.00 2.68 O ATOM 407 OD2 ASP A 29 4.407 -6.004 11.574 1.00 2.44 O ATOM 0 HA ASP A 29 5.848 -7.552 9.253 1.00 0.83 H new ATOM 0 HB2 ASP A 29 6.384 -7.658 11.652 1.00 1.20 H new ATOM 0 HB3 ASP A 29 7.612 -6.423 11.454 1.00 1.20 H new ATOM 412 N PHE A 30 6.302 -5.312 8.243 1.00 0.42 N ATOM 413 CA PHE A 30 6.524 -4.113 7.528 1.00 0.36 C ATOM 414 C PHE A 30 5.349 -3.197 7.761 1.00 0.32 C ATOM 415 O PHE A 30 5.256 -2.143 7.184 1.00 0.35 O ATOM 416 CB PHE A 30 6.681 -4.389 6.035 1.00 0.37 C ATOM 417 CG PHE A 30 5.429 -4.949 5.367 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.045 -6.259 5.581 1.00 0.40 C ATOM 419 CD2 PHE A 30 4.653 -4.164 4.515 1.00 0.38 C ATOM 420 CE1 PHE A 30 3.929 -6.777 4.970 1.00 0.46 C ATOM 421 CE2 PHE A 30 3.536 -4.680 3.905 1.00 0.42 C ATOM 422 CZ PHE A 30 3.131 -5.945 4.173 1.00 0.46 C ATOM 0 H PHE A 30 5.325 -5.605 8.256 1.00 0.42 H new ATOM 0 HA PHE A 30 7.445 -3.647 7.879 1.00 0.36 H new ATOM 0 HB2 PHE A 30 6.963 -3.463 5.534 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.501 -5.092 5.891 1.00 0.37 H new ATOM 0 HD1 PHE A 30 5.631 -6.885 6.238 1.00 0.40 H new ATOM 0 HD2 PHE A 30 4.934 -3.137 4.333 1.00 0.38 H new ATOM 0 HE1 PHE A 30 3.669 -7.817 5.103 1.00 0.46 H new ATOM 0 HE2 PHE A 30 2.977 -4.074 3.207 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.197 -6.311 3.774 1.00 0.46 H new ATOM 432 N LEU A 31 4.482 -3.586 8.671 1.00 0.35 N ATOM 433 CA LEU A 31 3.266 -2.849 8.912 1.00 0.36 C ATOM 434 C LEU A 31 3.553 -1.676 9.794 1.00 0.39 C ATOM 435 O LEU A 31 2.925 -0.623 9.673 1.00 0.46 O ATOM 436 CB LEU A 31 2.201 -3.747 9.532 1.00 0.40 C ATOM 437 CG LEU A 31 1.691 -4.882 8.645 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.691 -5.730 9.400 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.058 -4.322 7.383 1.00 0.38 C ATOM 0 H LEU A 31 4.600 -4.412 9.257 1.00 0.35 H new ATOM 0 HA LEU A 31 2.879 -2.487 7.959 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.605 -4.180 10.447 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.352 -3.127 9.820 1.00 0.40 H new ATOM 0 HG LEU A 31 2.537 -5.509 8.362 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.336 -6.534 8.756 1.00 0.45 H new ATOM 0 HD12 LEU A 31 1.168 -6.156 10.283 1.00 0.45 H new ATOM 0 HD13 LEU A 31 -0.153 -5.112 9.706 1.00 0.45 H new ATOM 0 HD21 LEU A 31 0.699 -5.142 6.761 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.221 -3.677 7.651 1.00 0.38 H new ATOM 0 HD23 LEU A 31 1.799 -3.744 6.830 1.00 0.38 H new ATOM 451 N ASP A 32 4.530 -1.850 10.668 1.00 0.43 N ATOM 452 CA ASP A 32 4.960 -0.774 11.547 1.00 0.52 C ATOM 453 C ASP A 32 6.237 -0.154 10.954 1.00 0.50 C ATOM 454 O ASP A 32 6.900 0.689 11.551 1.00 0.66 O ATOM 455 CB ASP A 32 5.200 -1.318 12.965 1.00 0.69 C ATOM 456 CG ASP A 32 5.178 -0.238 14.031 1.00 1.46 C ATOM 457 OD1 ASP A 32 4.065 0.194 14.417 1.00 1.95 O ATOM 458 OD2 ASP A 32 6.250 0.171 14.529 1.00 2.20 O ATOM 0 H ASP A 32 5.040 -2.725 10.788 1.00 0.43 H new ATOM 0 HA ASP A 32 4.191 -0.005 11.622 1.00 0.52 H new ATOM 0 HB2 ASP A 32 4.438 -2.063 13.195 1.00 0.69 H new ATOM 0 HB3 ASP A 32 6.163 -1.828 12.993 1.00 0.69 H new ATOM 463 N LEU A 33 6.564 -0.603 9.754 1.00 0.42 N ATOM 464 CA LEU A 33 7.699 -0.096 9.008 1.00 0.50 C ATOM 465 C LEU A 33 7.283 1.098 8.197 1.00 0.45 C ATOM 466 O LEU A 33 6.370 1.027 7.402 1.00 0.57 O ATOM 467 CB LEU A 33 8.313 -1.160 8.088 1.00 0.66 C ATOM 468 CG LEU A 33 9.161 -2.253 8.725 1.00 0.80 C ATOM 469 CD1 LEU A 33 9.827 -3.056 7.636 1.00 1.52 C ATOM 470 CD2 LEU A 33 10.210 -1.668 9.630 1.00 1.18 C ATOM 0 H LEU A 33 6.045 -1.334 9.268 1.00 0.42 H new ATOM 0 HA LEU A 33 8.462 0.191 9.731 1.00 0.50 H new ATOM 0 HB2 LEU A 33 7.500 -1.642 7.546 1.00 0.66 H new ATOM 0 HB3 LEU A 33 8.929 -0.647 7.349 1.00 0.66 H new ATOM 0 HG LEU A 33 8.513 -2.892 9.325 1.00 0.80 H new ATOM 0 HD11 LEU A 33 10.436 -3.841 8.084 1.00 1.52 H new ATOM 0 HD12 LEU A 33 9.066 -3.506 6.999 1.00 1.52 H new ATOM 0 HD13 LEU A 33 10.461 -2.402 7.037 1.00 1.52 H new ATOM 0 HD21 LEU A 33 10.800 -2.472 10.070 1.00 1.18 H new ATOM 0 HD22 LEU A 33 10.863 -1.012 9.054 1.00 1.18 H new ATOM 0 HD23 LEU A 33 9.728 -1.095 10.422 1.00 1.18 H new ATOM 482 N ARG A 34 7.946 2.181 8.400 1.00 0.43 N ATOM 483 CA ARG A 34 7.613 3.407 7.722 1.00 0.42 C ATOM 484 C ARG A 34 8.211 3.462 6.351 1.00 0.36 C ATOM 485 O ARG A 34 9.318 2.958 6.124 1.00 0.45 O ATOM 486 CB ARG A 34 8.047 4.609 8.545 1.00 0.58 C ATOM 487 CG ARG A 34 7.265 4.742 9.819 1.00 0.77 C ATOM 488 CD ARG A 34 7.760 5.871 10.677 1.00 1.08 C ATOM 489 NE ARG A 34 6.906 6.019 11.841 1.00 1.82 N ATOM 490 CZ ARG A 34 7.297 5.878 13.115 1.00 2.41 C ATOM 491 NH1 ARG A 34 8.582 5.669 13.414 1.00 2.43 N ATOM 492 NH2 ARG A 34 6.394 5.956 14.074 1.00 3.44 N ATOM 0 H ARG A 34 8.737 2.254 9.039 1.00 0.43 H new ATOM 0 HA ARG A 34 6.529 3.435 7.608 1.00 0.42 H new ATOM 0 HB2 ARG A 34 9.108 4.521 8.780 1.00 0.58 H new ATOM 0 HB3 ARG A 34 7.926 5.515 7.951 1.00 0.58 H new ATOM 0 HG2 ARG A 34 6.213 4.903 9.582 1.00 0.77 H new ATOM 0 HG3 ARG A 34 7.326 3.809 10.379 1.00 0.77 H new ATOM 0 HD2 ARG A 34 8.786 5.678 10.990 1.00 1.08 H new ATOM 0 HD3 ARG A 34 7.771 6.798 10.103 1.00 1.08 H new ATOM 0 HE ARG A 34 5.926 6.250 11.676 1.00 1.82 H new ATOM 0 HH11 ARG A 34 9.277 5.615 12.669 1.00 2.43 H new ATOM 0 HH12 ARG A 34 8.868 5.563 14.387 1.00 2.43 H new ATOM 0 HH21 ARG A 34 5.415 6.121 13.840 1.00 3.44 H new ATOM 0 HH22 ARG A 34 6.675 5.851 15.049 1.00 3.44 H new ATOM 506 N PHE A 35 7.490 4.098 5.429 1.00 0.33 N ATOM 507 CA PHE A 35 7.950 4.265 4.042 1.00 0.33 C ATOM 508 C PHE A 35 9.259 5.035 4.017 1.00 0.38 C ATOM 509 O PHE A 35 10.094 4.837 3.143 1.00 0.43 O ATOM 510 CB PHE A 35 6.895 4.978 3.192 1.00 0.34 C ATOM 511 CG PHE A 35 5.572 4.269 3.164 1.00 0.36 C ATOM 512 CD1 PHE A 35 5.442 3.053 2.523 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.456 4.822 3.769 1.00 0.40 C ATOM 514 CE1 PHE A 35 4.231 2.400 2.481 1.00 0.50 C ATOM 515 CE2 PHE A 35 3.239 4.172 3.727 1.00 0.48 C ATOM 516 CZ PHE A 35 3.127 2.961 3.144 1.00 0.51 C ATOM 0 H PHE A 35 6.576 4.511 5.615 1.00 0.33 H new ATOM 0 HA PHE A 35 8.111 3.275 3.614 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.750 5.987 3.578 1.00 0.34 H new ATOM 0 HB3 PHE A 35 7.267 5.077 2.172 1.00 0.34 H new ATOM 0 HD1 PHE A 35 6.303 2.608 2.047 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.539 5.771 4.278 1.00 0.40 H new ATOM 0 HE1 PHE A 35 4.131 1.468 1.945 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.368 4.637 4.165 1.00 0.48 H new ATOM 0 HZ PHE A 35 2.191 2.424 3.187 1.00 0.51 H new ATOM 526 N GLU A 36 9.424 5.882 5.024 1.00 0.48 N ATOM 527 CA GLU A 36 10.631 6.657 5.243 1.00 0.62 C ATOM 528 C GLU A 36 11.836 5.713 5.346 1.00 0.63 C ATOM 529 O GLU A 36 12.869 5.923 4.722 1.00 0.72 O ATOM 530 CB GLU A 36 10.532 7.413 6.582 1.00 0.83 C ATOM 531 CG GLU A 36 9.246 8.199 6.811 1.00 1.40 C ATOM 532 CD GLU A 36 8.967 9.195 5.731 1.00 1.83 C ATOM 533 OE1 GLU A 36 9.680 10.194 5.638 1.00 1.89 O ATOM 534 OE2 GLU A 36 8.035 8.984 4.950 1.00 2.73 O ATOM 0 H GLU A 36 8.704 6.051 5.726 1.00 0.48 H new ATOM 0 HA GLU A 36 10.748 7.354 4.413 1.00 0.62 H new ATOM 0 HB2 GLU A 36 10.644 6.693 7.392 1.00 0.83 H new ATOM 0 HB3 GLU A 36 11.373 8.103 6.650 1.00 0.83 H new ATOM 0 HG2 GLU A 36 8.410 7.503 6.880 1.00 1.40 H new ATOM 0 HG3 GLU A 36 9.310 8.718 7.768 1.00 1.40 H new ATOM 541 N ASP A 37 11.656 4.648 6.102 1.00 0.61 N ATOM 542 CA ASP A 37 12.728 3.725 6.411 1.00 0.70 C ATOM 543 C ASP A 37 12.921 2.698 5.314 1.00 0.69 C ATOM 544 O ASP A 37 14.043 2.272 5.044 1.00 0.82 O ATOM 545 CB ASP A 37 12.467 3.038 7.753 1.00 0.77 C ATOM 546 CG ASP A 37 13.592 2.117 8.175 1.00 0.98 C ATOM 547 OD1 ASP A 37 14.712 2.601 8.429 1.00 1.27 O ATOM 548 OD2 ASP A 37 13.386 0.887 8.212 1.00 1.36 O ATOM 0 H ASP A 37 10.760 4.399 6.520 1.00 0.61 H new ATOM 0 HA ASP A 37 13.651 4.301 6.482 1.00 0.70 H new ATOM 0 HB2 ASP A 37 12.319 3.797 8.521 1.00 0.77 H new ATOM 0 HB3 ASP A 37 11.541 2.466 7.688 1.00 0.77 H new ATOM 553 N ILE A 38 11.840 2.302 4.665 1.00 0.59 N ATOM 554 CA ILE A 38 11.938 1.301 3.598 1.00 0.63 C ATOM 555 C ILE A 38 12.265 1.907 2.225 1.00 0.63 C ATOM 556 O ILE A 38 12.234 1.217 1.216 1.00 0.66 O ATOM 557 CB ILE A 38 10.709 0.335 3.515 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.387 1.118 3.394 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.683 -0.610 4.718 1.00 0.67 C ATOM 560 CD1 ILE A 38 8.148 0.246 3.263 1.00 0.54 C ATOM 0 H ILE A 38 10.897 2.646 4.847 1.00 0.59 H new ATOM 0 HA ILE A 38 12.790 0.687 3.890 1.00 0.63 H new ATOM 0 HB ILE A 38 10.815 -0.267 2.613 1.00 0.59 H new ATOM 0 HG12 ILE A 38 9.276 1.756 4.271 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.447 1.775 2.527 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.821 -1.273 4.641 1.00 0.67 H new ATOM 0 HG22 ILE A 38 11.597 -1.203 4.734 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.612 -0.028 5.637 1.00 0.67 H new ATOM 0 HD11 ILE A 38 7.264 0.879 3.183 1.00 0.54 H new ATOM 0 HD12 ILE A 38 8.232 -0.374 2.370 1.00 0.54 H new ATOM 0 HD13 ILE A 38 8.058 -0.393 4.141 1.00 0.54 H new ATOM 572 N GLY A 39 12.652 3.182 2.219 1.00 0.63 N ATOM 573 CA GLY A 39 13.076 3.854 0.994 1.00 0.68 C ATOM 574 C GLY A 39 11.957 4.055 -0.016 1.00 0.59 C ATOM 575 O GLY A 39 12.131 3.788 -1.222 1.00 0.70 O ATOM 0 H GLY A 39 12.680 3.771 3.052 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.499 4.825 1.251 1.00 0.68 H new ATOM 0 HA3 GLY A 39 13.872 3.273 0.529 1.00 0.68 H new ATOM 579 N TYR A 40 10.822 4.517 0.453 1.00 0.45 N ATOM 580 CA TYR A 40 9.692 4.756 -0.405 1.00 0.45 C ATOM 581 C TYR A 40 9.274 6.189 -0.428 1.00 0.47 C ATOM 582 O TYR A 40 8.921 6.773 0.602 1.00 0.62 O ATOM 583 CB TYR A 40 8.498 3.865 -0.066 1.00 0.42 C ATOM 584 CG TYR A 40 8.584 2.500 -0.675 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.412 1.533 -0.151 1.00 0.53 C ATOM 586 CD2 TYR A 40 7.840 2.190 -1.798 1.00 0.57 C ATOM 587 CE1 TYR A 40 9.500 0.297 -0.713 1.00 0.60 C ATOM 588 CE2 TYR A 40 7.919 0.954 -2.377 1.00 0.68 C ATOM 589 CZ TYR A 40 8.761 0.002 -1.822 1.00 0.67 C ATOM 590 OH TYR A 40 8.871 -1.238 -2.381 1.00 0.78 O ATOM 0 H TYR A 40 10.659 4.736 1.436 1.00 0.45 H new ATOM 0 HA TYR A 40 10.036 4.494 -1.405 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.422 3.768 1.017 1.00 0.42 H new ATOM 0 HB3 TYR A 40 7.583 4.350 -0.407 1.00 0.42 H new ATOM 0 HD1 TYR A 40 10.004 1.760 0.724 1.00 0.53 H new ATOM 0 HD2 TYR A 40 7.186 2.936 -2.225 1.00 0.57 H new ATOM 0 HE1 TYR A 40 10.153 -0.448 -0.283 1.00 0.60 H new ATOM 0 HE2 TYR A 40 7.334 0.722 -3.255 1.00 0.68 H new ATOM 0 HH TYR A 40 8.114 -1.394 -2.983 1.00 0.78 H new ATOM 600 N ASP A 41 9.326 6.756 -1.600 1.00 0.55 N ATOM 601 CA ASP A 41 8.843 8.091 -1.823 1.00 0.69 C ATOM 602 C ASP A 41 7.460 7.979 -2.409 1.00 0.85 C ATOM 603 O ASP A 41 7.006 6.879 -2.739 1.00 1.62 O ATOM 604 CB ASP A 41 9.742 8.909 -2.766 1.00 0.82 C ATOM 605 CG ASP A 41 11.132 9.166 -2.240 1.00 0.99 C ATOM 606 OD1 ASP A 41 12.046 8.358 -2.506 1.00 1.32 O ATOM 607 OD2 ASP A 41 11.346 10.203 -1.571 1.00 1.27 O ATOM 0 H ASP A 41 9.706 6.304 -2.432 1.00 0.55 H new ATOM 0 HA ASP A 41 8.840 8.621 -0.871 1.00 0.69 H new ATOM 0 HB2 ASP A 41 9.819 8.385 -3.719 1.00 0.82 H new ATOM 0 HB3 ASP A 41 9.261 9.866 -2.967 1.00 0.82 H new ATOM 612 N SER A 42 6.836 9.092 -2.600 1.00 0.50 N ATOM 613 CA SER A 42 5.466 9.176 -3.013 1.00 0.53 C ATOM 614 C SER A 42 5.231 8.605 -4.417 1.00 0.51 C ATOM 615 O SER A 42 4.201 8.005 -4.666 1.00 0.48 O ATOM 616 CB SER A 42 5.089 10.610 -2.989 1.00 0.69 C ATOM 617 OG SER A 42 5.979 11.302 -3.911 1.00 1.05 O ATOM 0 H SER A 42 7.276 10.003 -2.470 1.00 0.50 H new ATOM 0 HA SER A 42 4.856 8.580 -2.334 1.00 0.53 H new ATOM 0 HB2 SER A 42 4.049 10.740 -3.287 1.00 0.69 H new ATOM 0 HB3 SER A 42 5.185 11.017 -1.982 1.00 0.69 H new ATOM 0 HG SER A 42 5.759 12.257 -3.924 1.00 1.05 H new ATOM 622 N LEU A 43 6.196 8.802 -5.321 1.00 0.57 N ATOM 623 CA LEU A 43 6.087 8.317 -6.700 1.00 0.62 C ATOM 624 C LEU A 43 5.890 6.811 -6.721 1.00 0.56 C ATOM 625 O LEU A 43 4.943 6.305 -7.326 1.00 0.58 O ATOM 626 CB LEU A 43 7.332 8.690 -7.504 1.00 0.74 C ATOM 627 CG LEU A 43 7.364 8.235 -8.966 1.00 0.86 C ATOM 628 CD1 LEU A 43 6.306 8.957 -9.781 1.00 1.40 C ATOM 629 CD2 LEU A 43 8.746 8.440 -9.561 1.00 1.19 C ATOM 0 H LEU A 43 7.065 9.297 -5.121 1.00 0.57 H new ATOM 0 HA LEU A 43 5.220 8.793 -7.158 1.00 0.62 H new ATOM 0 HB2 LEU A 43 7.440 9.774 -7.482 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.202 8.273 -6.998 1.00 0.74 H new ATOM 0 HG LEU A 43 7.138 7.169 -8.996 1.00 0.86 H new ATOM 0 HD11 LEU A 43 6.349 8.617 -10.816 1.00 1.40 H new ATOM 0 HD12 LEU A 43 5.320 8.742 -9.369 1.00 1.40 H new ATOM 0 HD13 LEU A 43 6.489 10.031 -9.744 1.00 1.40 H new ATOM 0 HD21 LEU A 43 8.747 8.111 -10.600 1.00 1.19 H new ATOM 0 HD22 LEU A 43 9.009 9.497 -9.515 1.00 1.19 H new ATOM 0 HD23 LEU A 43 9.475 7.860 -8.996 1.00 1.19 H new ATOM 641 N ALA A 44 6.752 6.108 -6.008 1.00 0.54 N ATOM 642 CA ALA A 44 6.679 4.665 -5.940 1.00 0.54 C ATOM 643 C ALA A 44 5.501 4.238 -5.083 1.00 0.47 C ATOM 644 O ALA A 44 4.916 3.182 -5.286 1.00 0.53 O ATOM 645 CB ALA A 44 7.976 4.090 -5.396 1.00 0.59 C ATOM 0 H ALA A 44 7.513 6.518 -5.467 1.00 0.54 H new ATOM 0 HA ALA A 44 6.532 4.276 -6.948 1.00 0.54 H new ATOM 0 HB1 ALA A 44 7.902 3.003 -5.352 1.00 0.59 H new ATOM 0 HB2 ALA A 44 8.801 4.372 -6.050 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.156 4.482 -4.395 1.00 0.59 H new ATOM 651 N LEU A 45 5.135 5.085 -4.144 1.00 0.42 N ATOM 652 CA LEU A 45 4.028 4.799 -3.268 1.00 0.38 C ATOM 653 C LEU A 45 2.713 4.896 -4.068 1.00 0.37 C ATOM 654 O LEU A 45 1.788 4.090 -3.864 1.00 0.39 O ATOM 655 CB LEU A 45 4.070 5.739 -2.053 1.00 0.35 C ATOM 656 CG LEU A 45 3.495 5.218 -0.723 1.00 0.37 C ATOM 657 CD1 LEU A 45 3.819 6.191 0.385 1.00 0.38 C ATOM 658 CD2 LEU A 45 1.998 5.002 -0.794 1.00 0.53 C ATOM 0 H LEU A 45 5.593 5.980 -3.971 1.00 0.42 H new ATOM 0 HA LEU A 45 4.094 3.784 -2.877 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.109 6.019 -1.882 1.00 0.35 H new ATOM 0 HB3 LEU A 45 3.533 6.651 -2.316 1.00 0.35 H new ATOM 0 HG LEU A 45 3.956 4.251 -0.520 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.411 5.820 1.325 1.00 0.38 H new ATOM 0 HD12 LEU A 45 4.900 6.294 0.474 1.00 0.38 H new ATOM 0 HD13 LEU A 45 3.380 7.162 0.157 1.00 0.38 H new ATOM 0 HD21 LEU A 45 1.637 4.634 0.167 1.00 0.53 H new ATOM 0 HD22 LEU A 45 1.505 5.945 -1.030 1.00 0.53 H new ATOM 0 HD23 LEU A 45 1.772 4.271 -1.570 1.00 0.53 H new ATOM 670 N MET A 46 2.620 5.880 -4.992 1.00 0.37 N ATOM 671 CA MET A 46 1.492 5.912 -5.925 1.00 0.40 C ATOM 672 C MET A 46 1.385 4.613 -6.715 1.00 0.35 C ATOM 673 O MET A 46 0.274 4.116 -6.938 1.00 0.36 O ATOM 674 CB MET A 46 1.577 7.065 -6.904 1.00 0.52 C ATOM 675 CG MET A 46 1.467 8.423 -6.282 1.00 0.70 C ATOM 676 SD MET A 46 1.267 9.703 -7.542 1.00 0.96 S ATOM 677 CE MET A 46 2.836 9.589 -8.401 1.00 2.41 C ATOM 0 H MET A 46 3.295 6.637 -5.104 1.00 0.37 H new ATOM 0 HA MET A 46 0.605 6.045 -5.306 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.525 7.001 -7.439 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.785 6.954 -7.645 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.618 8.445 -5.599 1.00 0.70 H new ATOM 0 HG3 MET A 46 2.359 8.628 -5.689 1.00 0.70 H new ATOM 0 HE1 MET A 46 2.691 9.820 -9.456 1.00 2.41 H new ATOM 0 HE2 MET A 46 3.541 10.299 -7.968 1.00 2.41 H new ATOM 0 HE3 MET A 46 3.232 8.578 -8.302 1.00 2.41 H new ATOM 687 N GLU A 47 2.540 4.059 -7.127 1.00 0.37 N ATOM 688 CA GLU A 47 2.572 2.792 -7.862 1.00 0.39 C ATOM 689 C GLU A 47 1.934 1.680 -7.027 1.00 0.37 C ATOM 690 O GLU A 47 1.174 0.862 -7.541 1.00 0.43 O ATOM 691 CB GLU A 47 4.008 2.386 -8.253 1.00 0.48 C ATOM 692 CG GLU A 47 4.727 3.346 -9.184 1.00 0.68 C ATOM 693 CD GLU A 47 6.110 2.852 -9.571 1.00 1.41 C ATOM 694 OE1 GLU A 47 6.215 1.927 -10.396 1.00 1.84 O ATOM 695 OE2 GLU A 47 7.126 3.376 -9.036 1.00 2.15 O ATOM 0 H GLU A 47 3.458 4.471 -6.962 1.00 0.37 H new ATOM 0 HA GLU A 47 2.003 2.937 -8.780 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.598 2.280 -7.343 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.974 1.405 -8.727 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.130 3.489 -10.085 1.00 0.68 H new ATOM 0 HG3 GLU A 47 4.814 4.319 -8.701 1.00 0.68 H new ATOM 702 N THR A 48 2.239 1.689 -5.743 1.00 0.36 N ATOM 703 CA THR A 48 1.715 0.726 -4.790 1.00 0.39 C ATOM 704 C THR A 48 0.174 0.825 -4.699 1.00 0.35 C ATOM 705 O THR A 48 -0.542 -0.167 -4.904 1.00 0.40 O ATOM 706 CB THR A 48 2.331 1.007 -3.398 1.00 0.43 C ATOM 707 OG1 THR A 48 3.761 1.020 -3.495 1.00 0.51 O ATOM 708 CG2 THR A 48 1.903 -0.044 -2.382 1.00 0.51 C ATOM 0 H THR A 48 2.867 2.376 -5.325 1.00 0.36 H new ATOM 0 HA THR A 48 1.977 -0.278 -5.124 1.00 0.39 H new ATOM 0 HB THR A 48 1.972 1.979 -3.060 1.00 0.43 H new ATOM 0 HG1 THR A 48 4.035 0.607 -4.340 1.00 0.51 H new ATOM 0 HG21 THR A 48 2.352 0.181 -1.415 1.00 0.51 H new ATOM 0 HG22 THR A 48 0.817 -0.038 -2.288 1.00 0.51 H new ATOM 0 HG23 THR A 48 2.233 -1.028 -2.715 1.00 0.51 H new ATOM 716 N ALA A 49 -0.319 2.019 -4.400 1.00 0.31 N ATOM 717 CA ALA A 49 -1.748 2.242 -4.220 1.00 0.32 C ATOM 718 C ALA A 49 -2.545 1.942 -5.490 1.00 0.30 C ATOM 719 O ALA A 49 -3.479 1.131 -5.463 1.00 0.32 O ATOM 720 CB ALA A 49 -2.009 3.653 -3.753 1.00 0.38 C ATOM 0 H ALA A 49 0.254 2.854 -4.276 1.00 0.31 H new ATOM 0 HA ALA A 49 -2.088 1.546 -3.454 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -3.081 3.801 -3.624 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -1.503 3.821 -2.803 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.632 4.357 -4.495 1.00 0.38 H new ATOM 726 N ALA A 50 -2.123 2.530 -6.610 1.00 0.29 N ATOM 727 CA ALA A 50 -2.822 2.371 -7.892 1.00 0.31 C ATOM 728 C ALA A 50 -2.809 0.919 -8.365 1.00 0.31 C ATOM 729 O ALA A 50 -3.683 0.492 -9.135 1.00 0.35 O ATOM 730 CB ALA A 50 -2.214 3.280 -8.953 1.00 0.39 C ATOM 0 H ALA A 50 -1.296 3.125 -6.658 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.861 2.660 -7.735 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.746 3.147 -9.895 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -2.297 4.319 -8.633 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -1.163 3.026 -9.091 1.00 0.39 H new ATOM 736 N ARG A 51 -1.829 0.164 -7.890 1.00 0.32 N ATOM 737 CA ARG A 51 -1.685 -1.238 -8.223 1.00 0.38 C ATOM 738 C ARG A 51 -2.871 -1.987 -7.631 1.00 0.37 C ATOM 739 O ARG A 51 -3.538 -2.767 -8.304 1.00 0.47 O ATOM 740 CB ARG A 51 -0.403 -1.771 -7.591 1.00 0.49 C ATOM 741 CG ARG A 51 0.207 -2.977 -8.258 1.00 0.97 C ATOM 742 CD ARG A 51 0.747 -2.602 -9.625 1.00 0.98 C ATOM 743 NE ARG A 51 1.651 -3.625 -10.165 1.00 1.92 N ATOM 744 CZ ARG A 51 2.477 -3.459 -11.200 1.00 2.31 C ATOM 745 NH1 ARG A 51 2.350 -2.412 -12.008 1.00 2.05 N ATOM 746 NH2 ARG A 51 3.391 -4.384 -11.444 1.00 3.40 N ATOM 0 H ARG A 51 -1.108 0.514 -7.258 1.00 0.32 H new ATOM 0 HA ARG A 51 -1.645 -1.371 -9.304 1.00 0.38 H new ATOM 0 HB2 ARG A 51 0.336 -0.970 -7.585 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -0.610 -2.021 -6.551 1.00 0.49 H new ATOM 0 HG2 ARG A 51 1.010 -3.377 -7.639 1.00 0.97 H new ATOM 0 HG3 ARG A 51 -0.541 -3.764 -8.358 1.00 0.97 H new ATOM 0 HD2 ARG A 51 -0.085 -2.454 -10.314 1.00 0.98 H new ATOM 0 HD3 ARG A 51 1.276 -1.652 -9.556 1.00 0.98 H new ATOM 0 HE ARG A 51 1.647 -4.539 -9.711 1.00 1.92 H new ATOM 0 HH11 ARG A 51 1.615 -1.725 -11.840 1.00 2.05 H new ATOM 0 HH12 ARG A 51 2.987 -2.296 -12.796 1.00 2.05 H new ATOM 0 HH21 ARG A 51 3.456 -5.207 -10.845 1.00 3.40 H new ATOM 0 HH22 ARG A 51 4.031 -4.274 -12.231 1.00 3.40 H new ATOM 760 N LEU A 52 -3.151 -1.695 -6.373 1.00 0.32 N ATOM 761 CA LEU A 52 -4.228 -2.345 -5.652 1.00 0.34 C ATOM 762 C LEU A 52 -5.574 -1.828 -6.107 1.00 0.33 C ATOM 763 O LEU A 52 -6.543 -2.601 -6.203 1.00 0.40 O ATOM 764 CB LEU A 52 -4.065 -2.170 -4.140 1.00 0.35 C ATOM 765 CG LEU A 52 -2.800 -2.777 -3.532 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.757 -2.524 -2.040 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.729 -4.276 -3.825 1.00 0.39 C ATOM 0 H LEU A 52 -2.640 -1.003 -5.825 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.180 -3.411 -5.875 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.079 -1.104 -3.913 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.931 -2.612 -3.647 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.934 -2.298 -3.988 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -1.851 -2.962 -1.623 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.760 -1.450 -1.853 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.629 -2.977 -1.569 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -1.822 -4.690 -3.384 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.600 -4.772 -3.397 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -2.714 -4.436 -4.903 1.00 0.39 H new ATOM 779 N GLU A 53 -5.636 -0.530 -6.411 1.00 0.28 N ATOM 780 CA GLU A 53 -6.854 0.072 -6.917 1.00 0.29 C ATOM 781 C GLU A 53 -7.275 -0.596 -8.217 1.00 0.31 C ATOM 782 O GLU A 53 -8.432 -0.924 -8.396 1.00 0.35 O ATOM 783 CB GLU A 53 -6.713 1.579 -7.124 1.00 0.29 C ATOM 784 CG GLU A 53 -6.413 2.373 -5.865 1.00 0.35 C ATOM 785 CD GLU A 53 -6.419 3.861 -6.120 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.445 4.384 -6.671 1.00 0.53 O ATOM 787 OE2 GLU A 53 -7.445 4.534 -5.806 1.00 0.51 O ATOM 0 H GLU A 53 -4.854 0.117 -6.313 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.625 -0.083 -6.163 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -5.918 1.759 -7.847 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -7.635 1.958 -7.564 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -7.152 2.133 -5.100 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.440 2.076 -5.472 1.00 0.35 H new ATOM 794 N SER A 54 -6.323 -0.845 -9.085 1.00 0.35 N ATOM 795 CA SER A 54 -6.602 -1.488 -10.357 1.00 0.43 C ATOM 796 C SER A 54 -6.837 -3.009 -10.181 1.00 0.47 C ATOM 797 O SER A 54 -7.589 -3.633 -10.940 1.00 0.61 O ATOM 798 CB SER A 54 -5.440 -1.238 -11.316 1.00 0.49 C ATOM 799 OG SER A 54 -5.165 0.160 -11.416 1.00 1.16 O ATOM 0 H SER A 54 -5.341 -0.612 -8.936 1.00 0.35 H new ATOM 0 HA SER A 54 -7.516 -1.060 -10.769 1.00 0.43 H new ATOM 0 HB2 SER A 54 -4.552 -1.765 -10.966 1.00 0.49 H new ATOM 0 HB3 SER A 54 -5.681 -1.638 -12.301 1.00 0.49 H new ATOM 0 HG SER A 54 -4.710 0.463 -10.603 1.00 1.16 H new ATOM 805 N ARG A 55 -6.222 -3.587 -9.160 1.00 0.40 N ATOM 806 CA ARG A 55 -6.297 -5.028 -8.931 1.00 0.46 C ATOM 807 C ARG A 55 -7.629 -5.460 -8.289 1.00 0.47 C ATOM 808 O ARG A 55 -8.185 -6.492 -8.658 1.00 0.57 O ATOM 809 CB ARG A 55 -5.094 -5.515 -8.093 1.00 0.50 C ATOM 810 CG ARG A 55 -5.051 -7.020 -7.873 1.00 0.61 C ATOM 811 CD ARG A 55 -3.829 -7.454 -7.074 1.00 0.75 C ATOM 812 NE ARG A 55 -2.563 -7.204 -7.780 1.00 1.28 N ATOM 813 CZ ARG A 55 -1.353 -7.571 -7.335 1.00 1.65 C ATOM 814 NH1 ARG A 55 -1.223 -8.180 -6.152 1.00 1.46 N ATOM 815 NH2 ARG A 55 -0.279 -7.347 -8.085 1.00 2.65 N ATOM 0 H ARG A 55 -5.663 -3.081 -8.473 1.00 0.40 H new ATOM 0 HA ARG A 55 -6.255 -5.505 -9.910 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -4.173 -5.206 -8.587 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -5.117 -5.019 -7.123 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -5.954 -7.334 -7.350 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -5.049 -7.526 -8.838 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -3.818 -6.925 -6.121 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -3.909 -8.517 -6.847 1.00 0.75 H new ATOM 0 HE ARG A 55 -2.609 -6.715 -8.674 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -2.048 -8.368 -5.582 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -0.299 -8.457 -5.820 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -0.377 -6.897 -8.995 1.00 2.65 H new ATOM 0 HH22 ARG A 55 0.644 -7.625 -7.750 1.00 2.65 H new ATOM 829 N TYR A 56 -8.129 -4.690 -7.330 1.00 0.42 N ATOM 830 CA TYR A 56 -9.383 -5.065 -6.656 1.00 0.47 C ATOM 831 C TYR A 56 -10.514 -4.067 -6.883 1.00 0.50 C ATOM 832 O TYR A 56 -11.643 -4.291 -6.441 1.00 0.67 O ATOM 833 CB TYR A 56 -9.159 -5.320 -5.156 1.00 0.52 C ATOM 834 CG TYR A 56 -8.281 -6.522 -4.883 1.00 0.53 C ATOM 835 CD1 TYR A 56 -8.793 -7.804 -4.998 1.00 0.62 C ATOM 836 CD2 TYR A 56 -6.945 -6.377 -4.534 1.00 0.59 C ATOM 837 CE1 TYR A 56 -8.002 -8.909 -4.782 1.00 0.70 C ATOM 838 CE2 TYR A 56 -6.143 -7.480 -4.302 1.00 0.65 C ATOM 839 CZ TYR A 56 -6.684 -8.749 -4.431 1.00 0.67 C ATOM 840 OH TYR A 56 -5.894 -9.865 -4.262 1.00 0.79 O ATOM 0 H TYR A 56 -7.705 -3.822 -7.002 1.00 0.42 H new ATOM 0 HA TYR A 56 -9.704 -5.998 -7.119 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -8.705 -4.436 -4.707 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.124 -5.464 -4.670 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.832 -7.939 -5.262 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -6.525 -5.386 -4.442 1.00 0.59 H new ATOM 0 HE1 TYR A 56 -8.417 -9.900 -4.888 1.00 0.70 H new ATOM 0 HE2 TYR A 56 -5.107 -7.353 -4.024 1.00 0.65 H new ATOM 0 HH TYR A 56 -4.974 -9.588 -4.070 1.00 0.79 H new ATOM 850 N GLY A 57 -10.219 -2.986 -7.576 1.00 0.41 N ATOM 851 CA GLY A 57 -11.227 -1.986 -7.862 1.00 0.45 C ATOM 852 C GLY A 57 -11.588 -1.180 -6.642 1.00 0.46 C ATOM 853 O GLY A 57 -12.712 -1.279 -6.131 1.00 0.61 O ATOM 0 H GLY A 57 -9.293 -2.778 -7.950 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -10.863 -1.318 -8.643 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.121 -2.474 -8.251 1.00 0.45 H new ATOM 857 N VAL A 58 -10.646 -0.399 -6.149 1.00 0.38 N ATOM 858 CA VAL A 58 -10.909 0.412 -4.978 1.00 0.42 C ATOM 859 C VAL A 58 -10.700 1.888 -5.318 1.00 0.45 C ATOM 860 O VAL A 58 -10.421 2.218 -6.482 1.00 0.51 O ATOM 861 CB VAL A 58 -10.078 -0.026 -3.696 1.00 0.42 C ATOM 862 CG1 VAL A 58 -10.006 -1.531 -3.562 1.00 0.59 C ATOM 863 CG2 VAL A 58 -8.687 0.582 -3.594 1.00 0.57 C ATOM 0 H VAL A 58 -9.706 -0.310 -6.534 1.00 0.38 H new ATOM 0 HA VAL A 58 -11.951 0.251 -4.700 1.00 0.42 H new ATOM 0 HB VAL A 58 -10.642 0.385 -2.859 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -9.430 -1.790 -2.674 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -11.014 -1.937 -3.472 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -9.523 -1.952 -4.444 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -8.199 0.224 -2.687 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.098 0.290 -4.463 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -8.767 1.669 -3.558 1.00 0.57 H new ATOM 873 N SER A 59 -10.840 2.751 -4.350 1.00 0.51 N ATOM 874 CA SER A 59 -10.637 4.158 -4.536 1.00 0.61 C ATOM 875 C SER A 59 -9.974 4.772 -3.299 1.00 0.56 C ATOM 876 O SER A 59 -10.556 4.785 -2.206 1.00 0.63 O ATOM 877 CB SER A 59 -11.984 4.828 -4.858 1.00 0.84 C ATOM 878 OG SER A 59 -13.008 4.378 -3.965 1.00 1.59 O ATOM 0 H SER A 59 -11.102 2.492 -3.399 1.00 0.51 H new ATOM 0 HA SER A 59 -9.963 4.325 -5.376 1.00 0.61 H new ATOM 0 HB2 SER A 59 -11.882 5.911 -4.784 1.00 0.84 H new ATOM 0 HB3 SER A 59 -12.269 4.604 -5.886 1.00 0.84 H new ATOM 0 HG SER A 59 -12.648 4.324 -3.055 1.00 1.59 H new ATOM 884 N ILE A 60 -8.747 5.197 -3.451 1.00 0.50 N ATOM 885 CA ILE A 60 -8.036 5.843 -2.369 1.00 0.48 C ATOM 886 C ILE A 60 -8.414 7.324 -2.324 1.00 0.53 C ATOM 887 O ILE A 60 -8.394 8.000 -3.355 1.00 0.63 O ATOM 888 CB ILE A 60 -6.489 5.703 -2.530 1.00 0.48 C ATOM 889 CG1 ILE A 60 -6.061 4.227 -2.504 1.00 0.64 C ATOM 890 CG2 ILE A 60 -5.745 6.498 -1.458 1.00 0.53 C ATOM 891 CD1 ILE A 60 -6.427 3.493 -1.231 1.00 0.75 C ATOM 0 H ILE A 60 -8.214 5.109 -4.316 1.00 0.50 H new ATOM 0 HA ILE A 60 -8.322 5.353 -1.438 1.00 0.48 H new ATOM 0 HB ILE A 60 -6.222 6.118 -3.502 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -6.519 3.714 -3.350 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -4.981 4.172 -2.644 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -4.670 6.380 -1.598 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -6.008 7.553 -1.539 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -6.025 6.129 -0.471 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -6.088 2.459 -1.297 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -5.948 3.978 -0.381 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -7.509 3.513 -1.098 1.00 0.75 H new ATOM 903 N PRO A 61 -8.815 7.841 -1.150 1.00 0.65 N ATOM 904 CA PRO A 61 -9.112 9.249 -0.990 1.00 0.77 C ATOM 905 C PRO A 61 -7.816 10.053 -0.887 1.00 0.65 C ATOM 906 O PRO A 61 -6.984 9.797 -0.004 1.00 0.57 O ATOM 907 CB PRO A 61 -9.893 9.314 0.342 1.00 0.97 C ATOM 908 CG PRO A 61 -10.116 7.889 0.741 1.00 1.08 C ATOM 909 CD PRO A 61 -9.014 7.114 0.103 1.00 0.83 C ATOM 0 HA PRO A 61 -9.673 9.663 -1.828 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -9.328 9.851 1.103 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -10.840 9.840 0.217 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -10.096 7.778 1.825 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -11.090 7.536 0.403 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -8.113 7.105 0.717 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -9.293 6.074 -0.069 1.00 0.83 H new ATOM 917 N ASP A 62 -7.657 11.018 -1.773 1.00 0.74 N ATOM 918 CA ASP A 62 -6.459 11.874 -1.847 1.00 0.73 C ATOM 919 C ASP A 62 -6.194 12.641 -0.549 1.00 0.62 C ATOM 920 O ASP A 62 -5.049 12.975 -0.244 1.00 0.64 O ATOM 921 CB ASP A 62 -6.537 12.836 -3.049 1.00 0.93 C ATOM 922 CG ASP A 62 -7.744 13.755 -3.018 1.00 1.44 C ATOM 923 OD1 ASP A 62 -8.877 13.266 -3.214 1.00 1.92 O ATOM 924 OD2 ASP A 62 -7.597 14.973 -2.845 1.00 2.07 O ATOM 0 H ASP A 62 -8.359 11.243 -2.478 1.00 0.74 H new ATOM 0 HA ASP A 62 -5.611 11.205 -1.992 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -5.631 13.442 -3.078 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -6.559 12.252 -3.969 1.00 0.93 H new ATOM 929 N ASP A 63 -7.231 12.888 0.229 1.00 0.63 N ATOM 930 CA ASP A 63 -7.066 13.557 1.519 1.00 0.61 C ATOM 931 C ASP A 63 -6.401 12.632 2.521 1.00 0.59 C ATOM 932 O ASP A 63 -5.589 13.055 3.346 1.00 0.64 O ATOM 933 CB ASP A 63 -8.406 14.058 2.085 1.00 0.77 C ATOM 934 CG ASP A 63 -9.007 15.197 1.293 1.00 1.36 C ATOM 935 OD1 ASP A 63 -8.462 16.311 1.338 1.00 2.00 O ATOM 936 OD2 ASP A 63 -10.066 14.999 0.636 1.00 2.10 O ATOM 0 H ASP A 63 -8.193 12.640 -0.002 1.00 0.63 H new ATOM 0 HA ASP A 63 -6.428 14.424 1.348 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -9.114 13.229 2.109 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -8.258 14.381 3.116 1.00 0.77 H new ATOM 941 N VAL A 64 -6.715 11.363 2.416 1.00 0.62 N ATOM 942 CA VAL A 64 -6.197 10.356 3.317 1.00 0.69 C ATOM 943 C VAL A 64 -4.810 9.866 2.857 1.00 0.67 C ATOM 944 O VAL A 64 -4.039 9.295 3.627 1.00 0.78 O ATOM 945 CB VAL A 64 -7.205 9.173 3.481 1.00 0.82 C ATOM 946 CG1 VAL A 64 -6.716 8.127 4.470 1.00 0.98 C ATOM 947 CG2 VAL A 64 -8.570 9.698 3.909 1.00 0.90 C ATOM 0 H VAL A 64 -7.341 10.996 1.699 1.00 0.62 H new ATOM 0 HA VAL A 64 -6.073 10.812 4.299 1.00 0.69 H new ATOM 0 HB VAL A 64 -7.288 8.687 2.509 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -7.452 7.327 4.547 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -5.768 7.715 4.125 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -6.577 8.588 5.448 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -9.262 8.864 4.020 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -8.477 10.221 4.861 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -8.949 10.386 3.153 1.00 0.90 H new ATOM 957 N ALA A 65 -4.483 10.168 1.612 1.00 0.61 N ATOM 958 CA ALA A 65 -3.220 9.757 0.997 1.00 0.67 C ATOM 959 C ALA A 65 -2.007 10.335 1.735 1.00 0.64 C ATOM 960 O ALA A 65 -0.979 9.684 1.860 1.00 0.74 O ATOM 961 CB ALA A 65 -3.197 10.158 -0.473 1.00 0.77 C ATOM 0 H ALA A 65 -5.086 10.708 0.991 1.00 0.61 H new ATOM 0 HA ALA A 65 -3.153 8.672 1.071 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -2.253 9.847 -0.920 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -4.022 9.674 -0.995 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -3.299 11.240 -0.557 1.00 0.77 H new ATOM 967 N GLY A 66 -2.161 11.532 2.286 1.00 0.58 N ATOM 968 CA GLY A 66 -1.050 12.172 2.986 1.00 0.66 C ATOM 969 C GLY A 66 -0.991 11.803 4.465 1.00 0.68 C ATOM 970 O GLY A 66 -0.317 12.461 5.261 1.00 0.86 O ATOM 0 H GLY A 66 -3.026 12.072 2.265 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -0.113 11.887 2.508 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -1.141 13.254 2.890 1.00 0.66 H new ATOM 974 N ARG A 67 -1.682 10.756 4.830 1.00 0.64 N ATOM 975 CA ARG A 67 -1.760 10.328 6.217 1.00 0.79 C ATOM 976 C ARG A 67 -1.109 8.975 6.451 1.00 0.77 C ATOM 977 O ARG A 67 -1.027 8.520 7.584 1.00 0.95 O ATOM 978 CB ARG A 67 -3.216 10.281 6.642 1.00 0.94 C ATOM 979 CG ARG A 67 -3.821 11.625 6.989 1.00 1.12 C ATOM 980 CD ARG A 67 -5.341 11.585 6.937 1.00 1.40 C ATOM 981 NE ARG A 67 -5.922 10.385 7.559 1.00 1.89 N ATOM 982 CZ ARG A 67 -7.233 10.141 7.680 1.00 2.51 C ATOM 983 NH1 ARG A 67 -8.130 11.050 7.292 1.00 2.93 N ATOM 984 NH2 ARG A 67 -7.642 8.976 8.170 1.00 3.22 N ATOM 0 H ARG A 67 -2.209 10.171 4.182 1.00 0.64 H new ATOM 0 HA ARG A 67 -1.209 11.052 6.817 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -3.800 9.832 5.838 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -3.306 9.624 7.507 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -3.498 11.923 7.986 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -3.452 12.381 6.295 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -5.736 12.470 7.436 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -5.662 11.636 5.896 1.00 1.40 H new ATOM 0 HE ARG A 67 -5.277 9.685 7.926 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -7.819 11.939 6.900 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -9.127 10.856 7.388 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -6.959 8.273 8.452 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -8.639 8.784 8.265 1.00 3.22 H new ATOM 998 N VAL A 68 -0.621 8.354 5.406 1.00 0.62 N ATOM 999 CA VAL A 68 -0.076 7.009 5.528 1.00 0.66 C ATOM 1000 C VAL A 68 1.462 6.999 5.629 1.00 0.67 C ATOM 1001 O VAL A 68 2.171 7.313 4.673 1.00 1.00 O ATOM 1002 CB VAL A 68 -0.568 6.071 4.366 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.071 5.875 4.447 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.197 6.610 2.986 1.00 0.64 C ATOM 0 H VAL A 68 -0.586 8.747 4.465 1.00 0.62 H new ATOM 0 HA VAL A 68 -0.461 6.612 6.467 1.00 0.66 H new ATOM 0 HB VAL A 68 -0.062 5.115 4.496 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -2.397 5.224 3.636 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -2.328 5.420 5.404 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -2.569 6.841 4.359 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -0.559 5.926 2.219 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -0.653 7.590 2.843 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.887 6.700 2.910 1.00 0.64 H new ATOM 1014 N ASP A 69 1.980 6.726 6.810 1.00 0.54 N ATOM 1015 CA ASP A 69 3.431 6.568 6.946 1.00 0.64 C ATOM 1016 C ASP A 69 3.769 5.121 7.166 1.00 0.50 C ATOM 1017 O ASP A 69 4.919 4.706 6.992 1.00 0.54 O ATOM 1018 CB ASP A 69 4.101 7.485 8.006 1.00 0.99 C ATOM 1019 CG ASP A 69 3.665 7.267 9.438 1.00 1.11 C ATOM 1020 OD1 ASP A 69 2.542 7.691 9.821 1.00 1.37 O ATOM 1021 OD2 ASP A 69 4.397 6.597 10.180 1.00 1.84 O ATOM 0 H ASP A 69 1.445 6.610 7.671 1.00 0.54 H new ATOM 0 HA ASP A 69 3.858 6.908 6.003 1.00 0.64 H new ATOM 0 HB2 ASP A 69 5.180 7.344 7.950 1.00 0.99 H new ATOM 0 HB3 ASP A 69 3.900 8.523 7.739 1.00 0.99 H new ATOM 1026 N THR A 70 2.756 4.341 7.497 1.00 0.43 N ATOM 1027 CA THR A 70 2.913 2.922 7.661 1.00 0.37 C ATOM 1028 C THR A 70 1.914 2.150 6.767 1.00 0.33 C ATOM 1029 O THR A 70 0.757 2.573 6.603 1.00 0.34 O ATOM 1030 CB THR A 70 2.774 2.493 9.150 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.565 3.016 9.739 1.00 0.51 O ATOM 1032 CG2 THR A 70 3.976 2.948 9.953 1.00 0.44 C ATOM 0 H THR A 70 1.807 4.680 7.657 1.00 0.43 H new ATOM 0 HA THR A 70 3.924 2.667 7.344 1.00 0.37 H new ATOM 0 HB THR A 70 2.722 1.404 9.172 1.00 0.42 H new ATOM 0 HG1 THR A 70 1.391 3.914 9.386 1.00 0.51 H new ATOM 0 HG21 THR A 70 3.858 2.638 10.991 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.880 2.500 9.540 1.00 0.44 H new ATOM 0 HG23 THR A 70 4.055 4.034 9.906 1.00 0.44 H new ATOM 1040 N PRO A 71 2.364 1.024 6.144 1.00 0.32 N ATOM 1041 CA PRO A 71 1.527 0.139 5.303 1.00 0.31 C ATOM 1042 C PRO A 71 0.249 -0.292 6.001 1.00 0.29 C ATOM 1043 O PRO A 71 -0.765 -0.527 5.358 1.00 0.33 O ATOM 1044 CB PRO A 71 2.439 -1.064 5.086 1.00 0.34 C ATOM 1045 CG PRO A 71 3.776 -0.457 5.051 1.00 0.38 C ATOM 1046 CD PRO A 71 3.755 0.555 6.153 1.00 0.36 C ATOM 0 HA PRO A 71 1.194 0.629 4.388 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.346 -1.792 5.892 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.207 -1.585 4.157 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.555 -1.202 5.211 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.975 0.010 4.086 1.00 0.38 H new ATOM 0 HD2 PRO A 71 4.026 0.113 7.112 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.456 1.368 5.967 1.00 0.36 H new ATOM 1054 N ARG A 72 0.317 -0.367 7.321 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.823 -0.691 8.171 1.00 0.34 C ATOM 1056 C ARG A 72 -2.008 0.236 7.866 1.00 0.36 C ATOM 1057 O ARG A 72 -3.141 -0.216 7.716 1.00 0.43 O ATOM 1058 CB ARG A 72 -0.400 -0.534 9.633 1.00 0.41 C ATOM 1059 CG ARG A 72 -1.530 -0.623 10.638 1.00 0.54 C ATOM 1060 CD ARG A 72 -1.031 -0.340 12.041 1.00 0.69 C ATOM 1061 NE ARG A 72 -0.256 0.919 12.104 1.00 0.75 N ATOM 1062 CZ ARG A 72 -0.616 2.012 12.791 1.00 0.98 C ATOM 1063 NH1 ARG A 72 -1.834 2.104 13.311 1.00 1.38 N ATOM 1064 NH2 ARG A 72 0.224 3.039 12.888 1.00 1.16 N ATOM 0 H ARG A 72 1.178 -0.202 7.842 1.00 0.30 H new ATOM 0 HA ARG A 72 -1.139 -1.716 7.979 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.336 -1.303 9.867 1.00 0.41 H new ATOM 0 HB3 ARG A 72 0.096 0.429 9.751 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -2.312 0.089 10.376 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -1.978 -1.616 10.601 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -1.879 -0.280 12.723 1.00 0.69 H new ATOM 0 HD3 ARG A 72 -0.408 -1.168 12.379 1.00 0.69 H new ATOM 0 HE ARG A 72 0.621 0.958 11.584 1.00 0.75 H new ATOM 0 HH11 ARG A 72 -2.500 1.341 13.188 1.00 1.38 H new ATOM 0 HH12 ARG A 72 -2.104 2.938 13.833 1.00 1.38 H new ATOM 0 HH21 ARG A 72 1.139 2.993 12.440 1.00 1.16 H new ATOM 0 HH22 ARG A 72 -0.047 3.872 13.410 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.710 1.512 7.710 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.713 2.544 7.475 1.00 0.42 C ATOM 1080 C GLU A 73 -3.231 2.468 6.047 1.00 0.40 C ATOM 1081 O GLU A 73 -4.407 2.732 5.785 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.084 3.900 7.724 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.444 4.007 9.085 1.00 0.63 C ATOM 1084 CD GLU A 73 -0.718 5.296 9.288 1.00 0.74 C ATOM 1085 OE1 GLU A 73 0.414 5.434 8.756 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -1.290 6.215 9.941 1.00 1.33 O ATOM 0 H GLU A 73 -0.755 1.869 7.743 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.554 2.393 8.152 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.333 4.093 6.958 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -2.846 4.673 7.624 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -2.213 3.905 9.851 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -0.748 3.179 9.219 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.340 2.104 5.134 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.673 1.967 3.722 1.00 0.43 C ATOM 1095 C LEU A 74 -3.649 0.786 3.585 1.00 0.41 C ATOM 1096 O LEU A 74 -4.692 0.885 2.928 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.360 1.707 2.924 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.331 2.039 1.407 1.00 0.50 C ATOM 1099 CD1 LEU A 74 0.050 1.767 0.838 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -2.371 1.262 0.617 1.00 1.10 C ATOM 0 H LEU A 74 -1.366 1.895 5.352 1.00 0.40 H new ATOM 0 HA LEU A 74 -3.141 2.869 3.327 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.564 2.278 3.402 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -1.108 0.652 3.036 1.00 0.44 H new ATOM 0 HG LEU A 74 -1.573 3.097 1.311 1.00 0.50 H new ATOM 0 HD11 LEU A 74 0.058 2.003 -0.226 1.00 1.04 H new ATOM 0 HD12 LEU A 74 0.784 2.387 1.353 1.00 1.04 H new ATOM 0 HD13 LEU A 74 0.301 0.715 0.978 1.00 1.04 H new ATOM 0 HD21 LEU A 74 -2.305 1.534 -0.437 1.00 1.10 H new ATOM 0 HD22 LEU A 74 -2.189 0.193 0.728 1.00 1.10 H new ATOM 0 HD23 LEU A 74 -3.366 1.501 0.992 1.00 1.10 H new ATOM 1112 N LEU A 75 -3.307 -0.306 4.256 1.00 0.41 N ATOM 1113 CA LEU A 75 -4.105 -1.524 4.265 1.00 0.41 C ATOM 1114 C LEU A 75 -5.468 -1.246 4.884 1.00 0.39 C ATOM 1115 O LEU A 75 -6.506 -1.577 4.302 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.385 -2.603 5.082 1.00 0.46 C ATOM 1117 CG LEU A 75 -4.011 -3.996 5.080 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.927 -4.624 3.700 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -3.353 -4.881 6.128 1.00 0.54 C ATOM 0 H LEU A 75 -2.457 -0.371 4.816 1.00 0.41 H new ATOM 0 HA LEU A 75 -4.239 -1.870 3.240 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -2.364 -2.688 4.709 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -3.319 -2.261 6.115 1.00 0.46 H new ATOM 0 HG LEU A 75 -5.066 -3.898 5.337 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.379 -5.616 3.723 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -4.459 -3.999 2.983 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -2.882 -4.709 3.402 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -3.813 -5.869 6.111 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -2.289 -4.972 5.911 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -3.485 -4.437 7.114 1.00 0.54 H new ATOM 1131 N ASP A 76 -5.440 -0.593 6.043 1.00 0.44 N ATOM 1132 CA ASP A 76 -6.645 -0.262 6.821 1.00 0.48 C ATOM 1133 C ASP A 76 -7.613 0.583 6.004 1.00 0.40 C ATOM 1134 O ASP A 76 -8.825 0.361 6.031 1.00 0.44 O ATOM 1135 CB ASP A 76 -6.257 0.486 8.103 1.00 0.66 C ATOM 1136 CG ASP A 76 -7.437 0.835 8.983 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -7.848 -0.002 9.816 1.00 1.08 O ATOM 1138 OD2 ASP A 76 -7.998 1.946 8.834 1.00 1.89 O ATOM 0 H ASP A 76 -4.575 -0.273 6.478 1.00 0.44 H new ATOM 0 HA ASP A 76 -7.143 -1.196 7.083 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -5.558 -0.126 8.673 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -5.732 1.402 7.834 1.00 0.66 H new ATOM 1143 N LEU A 77 -7.068 1.524 5.258 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.853 2.400 4.410 1.00 0.38 C ATOM 1145 C LEU A 77 -8.611 1.603 3.346 1.00 0.33 C ATOM 1146 O LEU A 77 -9.821 1.788 3.160 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.942 3.438 3.749 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.603 4.413 2.783 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -8.653 5.236 3.501 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -6.551 5.308 2.145 1.00 1.24 C ATOM 0 H LEU A 77 -6.064 1.703 5.223 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.588 2.912 5.031 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.457 4.015 4.536 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.156 2.908 3.212 1.00 0.46 H new ATOM 0 HG LEU A 77 -8.099 3.849 1.993 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -9.116 5.928 2.798 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -9.414 4.574 3.914 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -8.185 5.799 4.309 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -7.033 6.002 1.456 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -6.032 5.870 2.922 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -5.834 4.695 1.600 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.918 0.684 2.705 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.504 -0.091 1.633 1.00 0.32 C ATOM 1164 C ILE A 78 -9.486 -1.097 2.201 1.00 0.29 C ATOM 1165 O ILE A 78 -10.629 -1.184 1.743 1.00 0.33 O ATOM 1166 CB ILE A 78 -7.421 -0.806 0.780 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -6.495 0.235 0.141 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -8.072 -1.667 -0.295 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -5.437 -0.336 -0.781 1.00 0.63 C ATOM 0 H ILE A 78 -6.945 0.456 2.909 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.034 0.595 0.973 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.832 -1.455 1.428 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -7.102 0.944 -0.421 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -6.001 0.797 0.934 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -7.299 -2.161 -0.883 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.706 -2.419 0.175 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -8.678 -1.038 -0.947 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -4.831 0.475 -1.185 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -4.800 -1.022 -0.223 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -5.918 -0.872 -1.599 1.00 0.63 H new ATOM 1181 N ASN A 79 -9.046 -1.840 3.210 1.00 0.30 N ATOM 1182 CA ASN A 79 -9.886 -2.841 3.860 1.00 0.33 C ATOM 1183 C ASN A 79 -11.165 -2.210 4.406 1.00 0.37 C ATOM 1184 O ASN A 79 -12.252 -2.787 4.296 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.140 -3.580 4.991 1.00 0.42 C ATOM 1186 CG ASN A 79 -7.999 -4.496 4.525 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -7.063 -4.755 5.264 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -8.060 -4.975 3.303 1.00 0.55 N ATOM 0 H ASN A 79 -8.106 -1.768 3.598 1.00 0.30 H new ATOM 0 HA ASN A 79 -10.148 -3.574 3.097 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -8.734 -2.841 5.681 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -9.860 -4.177 5.551 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -7.315 -5.577 2.954 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -8.853 -4.744 2.704 1.00 0.55 H new ATOM 1195 N GLY A 80 -11.025 -1.016 4.957 1.00 0.37 N ATOM 1196 CA GLY A 80 -12.148 -0.290 5.482 1.00 0.46 C ATOM 1197 C GLY A 80 -13.112 0.154 4.400 1.00 0.47 C ATOM 1198 O GLY A 80 -14.327 -0.079 4.512 1.00 0.57 O ATOM 0 H GLY A 80 -10.131 -0.533 5.048 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -12.677 -0.916 6.200 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -11.789 0.584 6.025 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.582 0.745 3.324 1.00 0.43 N ATOM 1203 CA ALA A 81 -13.415 1.272 2.260 1.00 0.49 C ATOM 1204 C ALA A 81 -14.154 0.157 1.537 1.00 0.54 C ATOM 1205 O ALA A 81 -15.343 0.279 1.255 1.00 0.68 O ATOM 1206 CB ALA A 81 -12.585 2.096 1.291 1.00 0.49 C ATOM 0 H ALA A 81 -11.580 0.866 3.175 1.00 0.43 H new ATOM 0 HA ALA A 81 -14.164 1.925 2.708 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -13.227 2.483 0.500 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -12.124 2.928 1.823 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -11.808 1.469 0.854 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.455 -0.948 1.288 1.00 0.48 N ATOM 1213 CA LEU A 82 -14.021 -2.115 0.595 1.00 0.57 C ATOM 1214 C LEU A 82 -15.289 -2.667 1.224 1.00 0.70 C ATOM 1215 O LEU A 82 -16.149 -3.171 0.516 1.00 0.87 O ATOM 1216 CB LEU A 82 -12.983 -3.215 0.431 1.00 0.54 C ATOM 1217 CG LEU A 82 -11.960 -2.983 -0.669 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -10.860 -4.013 -0.593 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -12.647 -3.053 -2.024 1.00 0.63 C ATOM 0 H LEU A 82 -12.479 -1.065 1.559 1.00 0.48 H new ATOM 0 HA LEU A 82 -14.315 -1.745 -0.387 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -12.454 -3.337 1.376 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -13.500 -4.153 0.232 1.00 0.54 H new ATOM 0 HG LEU A 82 -11.517 -1.996 -0.538 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -10.136 -3.832 -1.388 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -10.362 -3.943 0.374 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -11.286 -5.009 -0.710 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -11.913 -2.887 -2.813 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -13.101 -4.036 -2.152 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -13.420 -2.287 -2.080 1.00 0.63 H new ATOM 1231 N ALA A 83 -15.427 -2.535 2.524 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.606 -3.046 3.205 1.00 0.87 C ATOM 1233 C ALA A 83 -17.851 -2.263 2.802 1.00 1.01 C ATOM 1234 O ALA A 83 -18.947 -2.820 2.688 1.00 1.25 O ATOM 1235 CB ALA A 83 -16.422 -3.022 4.704 1.00 0.90 C ATOM 0 H ALA A 83 -14.745 -2.082 3.132 1.00 0.69 H new ATOM 0 HA ALA A 83 -16.743 -4.083 2.899 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -17.319 -3.410 5.187 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -15.567 -3.641 4.976 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -16.247 -1.998 5.033 1.00 0.90 H new