USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 535 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 40 TYR OH : rot 0:sc= -0.0825 USER MOD Set 1.2: A 48 THR OG1 : rot 85:sc= 0.73 USER MOD Single : A 6 THR OG1 : rot -85:sc= 1.18 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 68:sc= 1.39 USER MOD Single : A 42 SER OG : rot -26:sc= 0.055 USER MOD Single : A 46 MET CE :methyl 155:sc= -0.0451 (180deg=-0.998) USER MOD Single : A 54 SER OG : rot 72:sc= 0.587 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.891 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -31:sc= 2.07 USER MOD Single : A 79 ASN : amide:sc= 1.28 K(o=1.3,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 11.403 -9.027 1.479 1.00 1.02 N ATOM 45 CA LEU A 4 10.781 -8.083 0.619 1.00 0.89 C ATOM 46 C LEU A 4 9.296 -8.142 0.858 1.00 0.82 C ATOM 47 O LEU A 4 8.806 -9.068 1.507 1.00 1.00 O ATOM 48 CB LEU A 4 11.108 -8.391 -0.853 1.00 0.93 C ATOM 49 CG LEU A 4 12.590 -8.326 -1.252 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.760 -8.665 -2.720 1.00 1.31 C ATOM 51 CD2 LEU A 4 13.173 -6.950 -0.958 1.00 1.09 C ATOM 0 HA LEU A 4 11.154 -7.081 0.832 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.736 -9.389 -1.084 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.555 -7.691 -1.479 1.00 0.93 H new ATOM 0 HG LEU A 4 13.132 -9.061 -0.657 1.00 1.05 H new ATOM 0 HD11 LEU A 4 13.816 -8.614 -2.985 1.00 1.31 H new ATOM 0 HD12 LEU A 4 12.387 -9.672 -2.906 1.00 1.31 H new ATOM 0 HD13 LEU A 4 12.199 -7.953 -3.325 1.00 1.31 H new ATOM 0 HD21 LEU A 4 14.223 -6.930 -1.249 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.625 -6.195 -1.522 1.00 1.09 H new ATOM 0 HD23 LEU A 4 13.088 -6.739 0.108 1.00 1.09 H new ATOM 63 N LEU A 5 8.595 -7.197 0.346 1.00 0.69 N ATOM 64 CA LEU A 5 7.187 -7.134 0.528 1.00 0.62 C ATOM 65 C LEU A 5 6.584 -7.841 -0.693 1.00 0.51 C ATOM 66 O LEU A 5 6.908 -7.485 -1.835 1.00 0.50 O ATOM 67 CB LEU A 5 6.794 -5.630 0.599 1.00 0.64 C ATOM 68 CG LEU A 5 5.479 -5.251 1.303 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.339 -3.749 1.384 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.299 -5.810 0.599 1.00 1.01 C ATOM 0 H LEU A 5 8.983 -6.439 -0.216 1.00 0.69 H new ATOM 0 HA LEU A 5 6.829 -7.613 1.439 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.604 -5.098 1.099 1.00 0.64 H new ATOM 0 HB3 LEU A 5 6.746 -5.251 -0.422 1.00 0.64 H new ATOM 0 HG LEU A 5 5.517 -5.675 2.306 1.00 0.71 H new ATOM 0 HD11 LEU A 5 4.404 -3.497 1.884 1.00 1.14 H new ATOM 0 HD12 LEU A 5 6.175 -3.336 1.948 1.00 1.14 H new ATOM 0 HD13 LEU A 5 5.337 -3.329 0.378 1.00 1.14 H new ATOM 0 HD21 LEU A 5 3.390 -5.521 1.126 1.00 1.01 H new ATOM 0 HD22 LEU A 5 4.266 -5.424 -0.420 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.373 -6.897 0.572 1.00 1.01 H new ATOM 82 N THR A 6 5.772 -8.859 -0.481 1.00 0.53 N ATOM 83 CA THR A 6 5.215 -9.567 -1.609 1.00 0.54 C ATOM 84 C THR A 6 3.777 -9.130 -1.871 1.00 0.47 C ATOM 85 O THR A 6 3.233 -8.293 -1.134 1.00 0.45 O ATOM 86 CB THR A 6 5.284 -11.118 -1.446 1.00 0.74 C ATOM 87 OG1 THR A 6 4.409 -11.560 -0.389 1.00 0.84 O ATOM 88 CG2 THR A 6 6.705 -11.564 -1.126 1.00 1.01 C ATOM 0 H THR A 6 5.491 -9.205 0.437 1.00 0.53 H new ATOM 0 HA THR A 6 5.832 -9.306 -2.469 1.00 0.54 H new ATOM 0 HB THR A 6 4.967 -11.562 -2.390 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.873 -11.488 0.471 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.730 -12.648 -1.017 1.00 1.01 H new ATOM 0 HG22 THR A 6 7.371 -11.265 -1.936 1.00 1.01 H new ATOM 0 HG23 THR A 6 7.032 -11.098 -0.197 1.00 1.01 H new ATOM 96 N THR A 7 3.163 -9.702 -2.897 1.00 0.53 N ATOM 97 CA THR A 7 1.781 -9.444 -3.230 1.00 0.55 C ATOM 98 C THR A 7 0.884 -9.726 -2.005 1.00 0.49 C ATOM 99 O THR A 7 0.144 -8.857 -1.556 1.00 0.47 O ATOM 100 CB THR A 7 1.365 -10.336 -4.422 1.00 0.73 C ATOM 101 OG1 THR A 7 2.293 -10.130 -5.512 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.045 -9.995 -4.895 1.00 0.95 C ATOM 0 H THR A 7 3.620 -10.364 -3.524 1.00 0.53 H new ATOM 0 HA THR A 7 1.662 -8.398 -3.512 1.00 0.55 H new ATOM 0 HB THR A 7 1.380 -11.377 -4.099 1.00 0.73 H new ATOM 0 HG1 THR A 7 2.036 -10.694 -6.271 1.00 0.83 H new ATOM 0 HG21 THR A 7 -0.313 -10.637 -5.734 1.00 0.95 H new ATOM 0 HG22 THR A 7 -0.750 -10.152 -4.079 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.081 -8.952 -5.210 1.00 0.95 H new ATOM 110 N ASP A 8 0.983 -10.932 -1.461 1.00 0.57 N ATOM 111 CA ASP A 8 0.169 -11.333 -0.308 1.00 0.61 C ATOM 112 C ASP A 8 0.452 -10.479 0.941 1.00 0.54 C ATOM 113 O ASP A 8 -0.460 -10.201 1.717 1.00 0.53 O ATOM 114 CB ASP A 8 0.329 -12.823 -0.001 1.00 0.81 C ATOM 115 CG ASP A 8 -0.553 -13.281 1.145 1.00 1.41 C ATOM 116 OD1 ASP A 8 -1.798 -13.334 0.978 1.00 1.86 O ATOM 117 OD2 ASP A 8 -0.018 -13.598 2.225 1.00 2.14 O ATOM 0 H ASP A 8 1.619 -11.655 -1.797 1.00 0.57 H new ATOM 0 HA ASP A 8 -0.869 -11.153 -0.587 1.00 0.61 H new ATOM 0 HB2 ASP A 8 0.089 -13.402 -0.893 1.00 0.81 H new ATOM 0 HB3 ASP A 8 1.371 -13.030 0.242 1.00 0.81 H new ATOM 122 N ASP A 9 1.696 -10.023 1.110 1.00 0.55 N ATOM 123 CA ASP A 9 2.034 -9.151 2.262 1.00 0.57 C ATOM 124 C ASP A 9 1.303 -7.842 2.138 1.00 0.50 C ATOM 125 O ASP A 9 0.696 -7.356 3.104 1.00 0.57 O ATOM 126 CB ASP A 9 3.540 -8.842 2.376 1.00 0.65 C ATOM 127 CG ASP A 9 4.397 -10.005 2.759 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.460 -10.326 3.950 1.00 1.61 O ATOM 129 OD2 ASP A 9 5.018 -10.621 1.879 1.00 1.61 O ATOM 0 H ASP A 9 2.476 -10.231 0.486 1.00 0.55 H new ATOM 0 HA ASP A 9 1.735 -9.700 3.155 1.00 0.57 H new ATOM 0 HB2 ASP A 9 3.889 -8.452 1.420 1.00 0.65 H new ATOM 0 HB3 ASP A 9 3.678 -8.050 3.112 1.00 0.65 H new ATOM 134 N LEU A 10 1.327 -7.287 0.933 1.00 0.43 N ATOM 135 CA LEU A 10 0.671 -6.028 0.664 1.00 0.43 C ATOM 136 C LEU A 10 -0.827 -6.207 0.779 1.00 0.41 C ATOM 137 O LEU A 10 -1.506 -5.354 1.318 1.00 0.47 O ATOM 138 CB LEU A 10 1.051 -5.487 -0.723 1.00 0.46 C ATOM 139 CG LEU A 10 0.575 -4.068 -1.052 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.144 -3.060 -0.059 1.00 0.88 C ATOM 141 CD2 LEU A 10 0.977 -3.691 -2.463 1.00 0.79 C ATOM 0 H LEU A 10 1.798 -7.697 0.127 1.00 0.43 H new ATOM 0 HA LEU A 10 1.003 -5.296 1.400 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.137 -5.514 -0.815 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.651 -6.165 -1.476 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.512 -4.050 -0.977 1.00 0.57 H new ATOM 0 HD11 LEU A 10 0.792 -2.060 -0.313 1.00 0.88 H new ATOM 0 HD12 LEU A 10 0.814 -3.316 0.948 1.00 0.88 H new ATOM 0 HD13 LEU A 10 2.233 -3.083 -0.101 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.632 -2.681 -2.682 1.00 0.79 H new ATOM 0 HD22 LEU A 10 2.062 -3.732 -2.555 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.526 -4.389 -3.169 1.00 0.79 H new ATOM 153 N ARG A 11 -1.318 -7.336 0.274 1.00 0.39 N ATOM 154 CA ARG A 11 -2.724 -7.719 0.378 1.00 0.44 C ATOM 155 C ARG A 11 -3.191 -7.614 1.815 1.00 0.44 C ATOM 156 O ARG A 11 -4.167 -6.923 2.116 1.00 0.48 O ATOM 157 CB ARG A 11 -2.909 -9.154 -0.110 1.00 0.52 C ATOM 158 CG ARG A 11 -4.321 -9.699 0.024 1.00 0.70 C ATOM 159 CD ARG A 11 -4.377 -11.145 -0.419 1.00 0.85 C ATOM 160 NE ARG A 11 -4.077 -11.304 -1.847 1.00 1.22 N ATOM 161 CZ ARG A 11 -3.373 -12.309 -2.379 1.00 1.67 C ATOM 162 NH1 ARG A 11 -2.711 -13.157 -1.598 1.00 2.17 N ATOM 163 NH2 ARG A 11 -3.296 -12.423 -3.704 1.00 2.23 N ATOM 0 H ARG A 11 -0.745 -8.018 -0.224 1.00 0.39 H new ATOM 0 HA ARG A 11 -3.315 -7.044 -0.241 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.613 -9.207 -1.158 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.231 -9.802 0.446 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.652 -9.617 1.059 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -5.006 -9.102 -0.578 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -3.667 -11.729 0.166 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -5.368 -11.548 -0.212 1.00 0.85 H new ATOM 0 HE ARG A 11 -4.434 -10.592 -2.484 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -2.738 -13.044 -0.585 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -2.177 -13.921 -2.012 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -3.771 -11.747 -4.302 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -2.762 -13.186 -4.120 1.00 2.23 H new ATOM 177 N ARG A 12 -2.463 -8.290 2.693 1.00 0.47 N ATOM 178 CA ARG A 12 -2.761 -8.303 4.111 1.00 0.54 C ATOM 179 C ARG A 12 -2.759 -6.904 4.685 1.00 0.54 C ATOM 180 O ARG A 12 -3.713 -6.499 5.351 1.00 0.62 O ATOM 181 CB ARG A 12 -1.752 -9.139 4.879 1.00 0.64 C ATOM 182 CG ARG A 12 -1.739 -10.613 4.555 1.00 1.04 C ATOM 183 CD ARG A 12 -0.780 -11.333 5.475 1.00 1.27 C ATOM 184 NE ARG A 12 -1.155 -11.123 6.878 1.00 1.78 N ATOM 185 CZ ARG A 12 -0.371 -10.582 7.822 1.00 2.34 C ATOM 186 NH1 ARG A 12 0.888 -10.254 7.547 1.00 2.59 N ATOM 187 NH2 ARG A 12 -0.857 -10.358 9.035 1.00 3.25 N ATOM 0 H ARG A 12 -1.647 -8.846 2.437 1.00 0.47 H new ATOM 0 HA ARG A 12 -3.754 -8.740 4.217 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -0.757 -8.736 4.692 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.948 -9.022 5.945 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -2.741 -11.027 4.664 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -1.443 -10.764 3.517 1.00 1.04 H new ATOM 0 HD2 ARG A 12 -0.781 -12.399 5.248 1.00 1.27 H new ATOM 0 HD3 ARG A 12 0.235 -10.972 5.306 1.00 1.27 H new ATOM 0 HE ARG A 12 -2.092 -11.413 7.159 1.00 1.78 H new ATOM 0 HH11 ARG A 12 1.264 -10.413 6.612 1.00 2.59 H new ATOM 0 HH12 ARG A 12 1.478 -9.843 8.271 1.00 2.59 H new ATOM 0 HH21 ARG A 12 -1.825 -10.597 9.249 1.00 3.25 H new ATOM 0 HH22 ARG A 12 -0.263 -9.947 9.755 1.00 3.25 H new ATOM 201 N ALA A 13 -1.698 -6.165 4.396 1.00 0.52 N ATOM 202 CA ALA A 13 -1.518 -4.828 4.925 1.00 0.59 C ATOM 203 C ALA A 13 -2.612 -3.896 4.438 1.00 0.59 C ATOM 204 O ALA A 13 -3.160 -3.125 5.214 1.00 0.69 O ATOM 205 CB ALA A 13 -0.145 -4.286 4.551 1.00 0.66 C ATOM 0 H ALA A 13 -0.941 -6.478 3.789 1.00 0.52 H new ATOM 0 HA ALA A 13 -1.584 -4.883 6.012 1.00 0.59 H new ATOM 0 HB1 ALA A 13 -0.028 -3.281 4.957 1.00 0.66 H new ATOM 0 HB2 ALA A 13 0.627 -4.936 4.963 1.00 0.66 H new ATOM 0 HB3 ALA A 13 -0.050 -4.252 3.466 1.00 0.66 H new ATOM 211 N LEU A 14 -2.943 -3.986 3.173 1.00 0.52 N ATOM 212 CA LEU A 14 -3.982 -3.160 2.607 1.00 0.55 C ATOM 213 C LEU A 14 -5.351 -3.504 3.170 1.00 0.58 C ATOM 214 O LEU A 14 -6.069 -2.624 3.603 1.00 0.68 O ATOM 215 CB LEU A 14 -4.008 -3.222 1.076 1.00 0.52 C ATOM 216 CG LEU A 14 -2.799 -2.638 0.341 1.00 0.56 C ATOM 217 CD1 LEU A 14 -2.983 -2.777 -1.150 1.00 1.30 C ATOM 218 CD2 LEU A 14 -2.600 -1.180 0.703 1.00 1.05 C ATOM 0 H LEU A 14 -2.505 -4.627 2.512 1.00 0.52 H new ATOM 0 HA LEU A 14 -3.741 -2.137 2.895 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -4.114 -4.266 0.780 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.900 -2.700 0.730 1.00 0.52 H new ATOM 0 HG LEU A 14 -1.912 -3.193 0.647 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -2.118 -2.359 -1.664 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -3.083 -3.831 -1.408 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -3.881 -2.242 -1.457 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -1.735 -0.787 0.168 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -3.487 -0.612 0.425 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -2.434 -1.091 1.777 1.00 1.05 H new ATOM 230 N VAL A 15 -5.693 -4.778 3.208 1.00 0.57 N ATOM 231 CA VAL A 15 -7.029 -5.174 3.651 1.00 0.66 C ATOM 232 C VAL A 15 -7.261 -4.859 5.147 1.00 0.72 C ATOM 233 O VAL A 15 -8.390 -4.635 5.577 1.00 0.91 O ATOM 234 CB VAL A 15 -7.367 -6.676 3.323 1.00 0.70 C ATOM 235 CG1 VAL A 15 -6.575 -7.654 4.183 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.860 -6.948 3.419 1.00 1.01 C ATOM 0 H VAL A 15 -5.081 -5.550 2.944 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.725 -4.566 3.073 1.00 0.66 H new ATOM 0 HB VAL A 15 -7.061 -6.841 2.290 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.846 -8.675 3.916 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -5.508 -7.506 4.014 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -6.803 -7.481 5.235 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -9.055 -7.995 3.186 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -9.205 -6.731 4.430 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -9.392 -6.313 2.710 1.00 1.01 H new ATOM 246 N GLU A 16 -6.194 -4.797 5.927 1.00 0.66 N ATOM 247 CA GLU A 16 -6.347 -4.480 7.327 1.00 0.79 C ATOM 248 C GLU A 16 -6.355 -2.971 7.575 1.00 0.83 C ATOM 249 O GLU A 16 -6.936 -2.500 8.553 1.00 0.98 O ATOM 250 CB GLU A 16 -5.329 -5.185 8.194 1.00 0.94 C ATOM 251 CG GLU A 16 -3.950 -4.726 7.960 1.00 1.08 C ATOM 252 CD GLU A 16 -2.996 -5.282 8.958 1.00 1.28 C ATOM 253 OE1 GLU A 16 -2.773 -4.654 10.013 1.00 1.49 O ATOM 254 OE2 GLU A 16 -2.409 -6.334 8.702 1.00 1.71 O ATOM 0 H GLU A 16 -5.235 -4.959 5.619 1.00 0.66 H new ATOM 0 HA GLU A 16 -7.325 -4.860 7.623 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -5.584 -5.029 9.242 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -5.384 -6.258 8.009 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -3.637 -5.019 6.958 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -3.920 -3.637 7.998 1.00 1.08 H new ATOM 261 N SER A 17 -5.727 -2.216 6.695 1.00 0.77 N ATOM 262 CA SER A 17 -5.700 -0.770 6.834 1.00 0.91 C ATOM 263 C SER A 17 -7.007 -0.164 6.282 1.00 0.95 C ATOM 264 O SER A 17 -7.436 0.939 6.682 1.00 1.24 O ATOM 265 CB SER A 17 -4.459 -0.204 6.137 1.00 0.98 C ATOM 266 OG SER A 17 -3.277 -0.876 6.612 1.00 1.24 O ATOM 0 H SER A 17 -5.231 -2.576 5.880 1.00 0.77 H new ATOM 0 HA SER A 17 -5.636 -0.500 7.888 1.00 0.91 H new ATOM 0 HB2 SER A 17 -4.549 -0.329 5.058 1.00 0.98 H new ATOM 0 HB3 SER A 17 -4.381 0.866 6.329 1.00 0.98 H new ATOM 0 HG SER A 17 -3.287 -1.808 6.309 1.00 1.24 H new ATOM 272 N ALA A 18 -7.637 -0.906 5.382 1.00 0.83 N ATOM 273 CA ALA A 18 -8.923 -0.562 4.822 1.00 0.94 C ATOM 274 C ALA A 18 -9.545 -1.797 4.215 1.00 1.41 C ATOM 275 O ALA A 18 -9.089 -2.303 3.193 1.00 2.05 O ATOM 276 CB ALA A 18 -8.803 0.518 3.775 1.00 1.05 C ATOM 0 H ALA A 18 -7.256 -1.779 5.018 1.00 0.83 H new ATOM 0 HA ALA A 18 -9.554 -0.177 5.623 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.791 0.750 3.377 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -8.373 1.414 4.224 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.158 0.172 2.967 1.00 1.05 H new ATOM 393 N GLY A 28 -7.900 -11.176 -2.857 1.00 0.95 N ATOM 394 CA GLY A 28 -7.594 -11.655 -4.179 1.00 1.09 C ATOM 395 C GLY A 28 -6.489 -10.826 -4.757 1.00 0.84 C ATOM 396 O GLY A 28 -5.573 -10.417 -4.017 1.00 1.04 O ATOM 0 HA2 GLY A 28 -7.297 -12.703 -4.140 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -8.478 -11.598 -4.814 1.00 1.09 H new ATOM 400 N ASP A 29 -6.546 -10.536 -6.030 1.00 0.80 N ATOM 401 CA ASP A 29 -5.542 -9.672 -6.624 1.00 0.86 C ATOM 402 C ASP A 29 -6.056 -8.262 -6.584 1.00 0.77 C ATOM 403 O ASP A 29 -7.265 -8.024 -6.691 1.00 1.01 O ATOM 404 CB ASP A 29 -5.118 -10.080 -8.045 1.00 1.28 C ATOM 405 CG ASP A 29 -4.016 -9.165 -8.594 1.00 1.96 C ATOM 406 OD1 ASP A 29 -3.142 -8.710 -7.810 1.00 2.61 O ATOM 407 OD2 ASP A 29 -4.023 -8.852 -9.798 1.00 2.38 O ATOM 0 H ASP A 29 -7.262 -10.875 -6.673 1.00 0.80 H new ATOM 0 HA ASP A 29 -4.629 -9.767 -6.036 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -4.764 -11.111 -8.037 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -5.983 -10.045 -8.707 1.00 1.28 H new ATOM 412 N PHE A 30 -5.175 -7.351 -6.421 1.00 0.58 N ATOM 413 CA PHE A 30 -5.538 -5.992 -6.135 1.00 0.52 C ATOM 414 C PHE A 30 -4.594 -5.000 -6.793 1.00 0.46 C ATOM 415 O PHE A 30 -4.843 -3.798 -6.746 1.00 0.44 O ATOM 416 CB PHE A 30 -5.488 -5.800 -4.609 1.00 0.56 C ATOM 417 CG PHE A 30 -4.143 -6.152 -4.019 1.00 0.57 C ATOM 418 CD1 PHE A 30 -3.818 -7.468 -3.730 1.00 0.67 C ATOM 419 CD2 PHE A 30 -3.200 -5.177 -3.794 1.00 0.73 C ATOM 420 CE1 PHE A 30 -2.586 -7.792 -3.238 1.00 0.84 C ATOM 421 CE2 PHE A 30 -1.969 -5.499 -3.292 1.00 0.86 C ATOM 422 CZ PHE A 30 -1.659 -6.806 -3.020 1.00 0.89 C ATOM 0 H PHE A 30 -4.170 -7.515 -6.480 1.00 0.58 H new ATOM 0 HA PHE A 30 -6.536 -5.806 -6.531 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -5.725 -4.763 -4.370 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -6.257 -6.418 -4.144 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -4.548 -8.247 -3.896 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -3.434 -4.146 -4.016 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -2.343 -8.822 -3.021 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -1.241 -4.723 -3.110 1.00 0.86 H new ATOM 0 HZ PHE A 30 -0.683 -7.059 -2.633 1.00 0.89 H new ATOM 432 N LEU A 31 -3.506 -5.500 -7.385 1.00 0.48 N ATOM 433 CA LEU A 31 -2.460 -4.637 -7.927 1.00 0.49 C ATOM 434 C LEU A 31 -2.935 -3.577 -8.882 1.00 0.43 C ATOM 435 O LEU A 31 -2.430 -2.467 -8.845 1.00 0.46 O ATOM 436 CB LEU A 31 -1.306 -5.393 -8.552 1.00 0.62 C ATOM 437 CG LEU A 31 -0.398 -6.190 -7.627 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.842 -6.573 -8.391 1.00 1.15 C ATOM 439 CD2 LEU A 31 -0.029 -5.394 -6.382 1.00 1.53 C ATOM 0 H LEU A 31 -3.329 -6.498 -7.500 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.103 -4.128 -7.032 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.717 -6.080 -9.292 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -0.688 -4.675 -9.092 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.926 -7.082 -7.291 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.506 -7.146 -7.743 1.00 1.15 H new ATOM 0 HD12 LEU A 31 0.565 -7.179 -9.254 1.00 1.15 H new ATOM 0 HD13 LEU A 31 1.354 -5.672 -8.729 1.00 1.15 H new ATOM 0 HD21 LEU A 31 0.620 -5.995 -5.745 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.492 -4.482 -6.674 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -0.935 -5.134 -5.835 1.00 1.53 H new ATOM 451 N ASP A 32 -3.894 -3.900 -9.718 1.00 0.43 N ATOM 452 CA ASP A 32 -4.325 -2.955 -10.742 1.00 0.49 C ATOM 453 C ASP A 32 -5.646 -2.265 -10.353 1.00 0.41 C ATOM 454 O ASP A 32 -6.301 -1.610 -11.165 1.00 0.51 O ATOM 455 CB ASP A 32 -4.431 -3.671 -12.099 1.00 0.68 C ATOM 456 CG ASP A 32 -4.559 -2.714 -13.258 1.00 1.43 C ATOM 457 OD1 ASP A 32 -3.600 -1.983 -13.564 1.00 2.17 O ATOM 458 OD2 ASP A 32 -5.646 -2.650 -13.875 1.00 1.99 O ATOM 0 H ASP A 32 -4.388 -4.792 -9.717 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.577 -2.167 -10.828 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -3.549 -4.295 -12.245 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -5.294 -4.337 -12.087 1.00 0.68 H new ATOM 463 N LEU A 33 -6.016 -2.385 -9.104 1.00 0.36 N ATOM 464 CA LEU A 33 -7.241 -1.762 -8.611 1.00 0.35 C ATOM 465 C LEU A 33 -6.999 -0.327 -8.180 1.00 0.32 C ATOM 466 O LEU A 33 -5.919 0.014 -7.687 1.00 0.38 O ATOM 467 CB LEU A 33 -7.889 -2.574 -7.467 1.00 0.46 C ATOM 468 CG LEU A 33 -8.746 -3.799 -7.860 1.00 0.70 C ATOM 469 CD1 LEU A 33 -7.979 -4.785 -8.719 1.00 1.56 C ATOM 470 CD2 LEU A 33 -9.288 -4.489 -6.619 1.00 1.56 C ATOM 0 H LEU A 33 -5.493 -2.907 -8.401 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.944 -1.754 -9.444 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.094 -2.918 -6.806 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.516 -1.897 -6.887 1.00 0.46 H new ATOM 0 HG LEU A 33 -9.580 -3.430 -8.457 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -8.623 -5.628 -8.969 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -7.653 -4.293 -9.635 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -7.108 -5.144 -8.171 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -9.889 -5.349 -6.914 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -8.458 -4.823 -5.996 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -9.906 -3.791 -6.055 1.00 1.56 H new ATOM 482 N ARG A 34 -7.995 0.506 -8.375 1.00 0.39 N ATOM 483 CA ARG A 34 -7.921 1.898 -7.989 1.00 0.49 C ATOM 484 C ARG A 34 -8.036 2.056 -6.493 1.00 0.45 C ATOM 485 O ARG A 34 -8.990 1.558 -5.888 1.00 0.50 O ATOM 486 CB ARG A 34 -9.033 2.726 -8.656 1.00 0.73 C ATOM 487 CG ARG A 34 -8.821 3.049 -10.118 1.00 0.89 C ATOM 488 CD ARG A 34 -7.513 3.777 -10.291 1.00 0.95 C ATOM 489 NE ARG A 34 -7.373 4.442 -11.585 1.00 1.79 N ATOM 490 CZ ARG A 34 -6.215 4.556 -12.223 1.00 2.53 C ATOM 491 NH1 ARG A 34 -5.251 3.687 -11.968 1.00 2.76 N ATOM 492 NH2 ARG A 34 -6.051 5.475 -13.179 1.00 3.48 N ATOM 0 H ARG A 34 -8.880 0.239 -8.806 1.00 0.39 H new ATOM 0 HA ARG A 34 -6.949 2.263 -8.322 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -9.974 2.185 -8.555 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -9.143 3.662 -8.108 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -8.819 2.132 -10.707 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -9.642 3.663 -10.488 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -7.414 4.519 -9.499 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -6.694 3.068 -10.167 1.00 0.95 H new ATOM 0 HE ARG A 34 -8.207 4.838 -12.019 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -5.403 2.942 -11.289 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -4.356 3.762 -12.451 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -6.820 6.098 -13.425 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -5.156 5.554 -13.663 1.00 3.48 H new ATOM 506 N PHE A 35 -7.060 2.739 -5.898 1.00 0.43 N ATOM 507 CA PHE A 35 -7.085 3.067 -4.476 1.00 0.43 C ATOM 508 C PHE A 35 -8.389 3.727 -4.108 1.00 0.48 C ATOM 509 O PHE A 35 -9.103 3.270 -3.227 1.00 0.52 O ATOM 510 CB PHE A 35 -5.952 4.016 -4.097 1.00 0.44 C ATOM 511 CG PHE A 35 -4.593 3.423 -4.122 1.00 0.47 C ATOM 512 CD1 PHE A 35 -4.221 2.488 -3.172 1.00 0.52 C ATOM 513 CD2 PHE A 35 -3.673 3.826 -5.058 1.00 0.53 C ATOM 514 CE1 PHE A 35 -2.953 1.965 -3.161 1.00 0.58 C ATOM 515 CE2 PHE A 35 -2.410 3.306 -5.057 1.00 0.59 C ATOM 516 CZ PHE A 35 -2.046 2.374 -4.105 1.00 0.60 C ATOM 0 H PHE A 35 -6.232 3.079 -6.387 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.966 2.128 -3.935 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.971 4.868 -4.777 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -6.143 4.402 -3.096 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -4.937 2.166 -2.431 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -3.950 4.560 -5.801 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -2.671 1.237 -2.415 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -1.695 3.624 -5.802 1.00 0.59 H new ATOM 0 HZ PHE A 35 -1.046 1.967 -4.104 1.00 0.60 H new ATOM 526 N GLU A 36 -8.704 4.779 -4.835 1.00 0.53 N ATOM 527 CA GLU A 36 -9.890 5.602 -4.615 1.00 0.67 C ATOM 528 C GLU A 36 -11.184 4.777 -4.671 1.00 0.73 C ATOM 529 O GLU A 36 -12.178 5.111 -4.028 1.00 0.87 O ATOM 530 CB GLU A 36 -9.927 6.696 -5.661 1.00 0.75 C ATOM 531 CG GLU A 36 -8.708 7.593 -5.656 1.00 1.26 C ATOM 532 CD GLU A 36 -8.698 8.524 -6.829 1.00 1.59 C ATOM 533 OE1 GLU A 36 -8.176 8.152 -7.888 1.00 2.04 O ATOM 534 OE2 GLU A 36 -9.198 9.667 -6.699 1.00 1.90 O ATOM 0 H GLU A 36 -8.132 5.099 -5.617 1.00 0.53 H new ATOM 0 HA GLU A 36 -9.828 6.033 -3.616 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -10.026 6.240 -6.646 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -10.816 7.307 -5.502 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -8.686 8.172 -4.732 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -7.806 6.981 -5.670 1.00 1.26 H new ATOM 541 N ASP A 37 -11.136 3.675 -5.382 1.00 0.70 N ATOM 542 CA ASP A 37 -12.306 2.841 -5.594 1.00 0.83 C ATOM 543 C ASP A 37 -12.496 1.906 -4.413 1.00 0.82 C ATOM 544 O ASP A 37 -13.619 1.597 -4.025 1.00 0.98 O ATOM 545 CB ASP A 37 -12.134 2.038 -6.874 1.00 0.94 C ATOM 546 CG ASP A 37 -13.358 1.252 -7.256 1.00 1.41 C ATOM 547 OD1 ASP A 37 -14.294 1.831 -7.818 1.00 1.71 O ATOM 548 OD2 ASP A 37 -13.419 0.040 -6.934 1.00 2.12 O ATOM 0 H ASP A 37 -10.289 3.328 -5.831 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.188 3.474 -5.685 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -11.878 2.716 -7.688 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -11.294 1.353 -6.754 1.00 0.94 H new ATOM 553 N ILE A 38 -11.391 1.518 -3.797 1.00 0.68 N ATOM 554 CA ILE A 38 -11.435 0.647 -2.629 1.00 0.70 C ATOM 555 C ILE A 38 -11.334 1.465 -1.331 1.00 0.72 C ATOM 556 O ILE A 38 -10.975 0.962 -0.271 1.00 0.82 O ATOM 557 CB ILE A 38 -10.355 -0.482 -2.666 1.00 0.69 C ATOM 558 CG1 ILE A 38 -8.934 0.108 -2.800 1.00 0.63 C ATOM 559 CG2 ILE A 38 -10.655 -1.459 -3.803 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.819 -0.922 -2.805 1.00 0.75 C ATOM 0 H ILE A 38 -10.451 1.791 -4.085 1.00 0.68 H new ATOM 0 HA ILE A 38 -12.403 0.146 -2.653 1.00 0.70 H new ATOM 0 HB ILE A 38 -10.393 -1.026 -1.722 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -8.881 0.686 -3.722 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -8.765 0.803 -1.978 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -9.896 -2.242 -3.820 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -11.636 -1.908 -3.648 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -10.647 -0.925 -4.753 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.858 -0.417 -2.903 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -7.840 -1.485 -1.872 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -7.958 -1.604 -3.644 1.00 0.75 H new ATOM 572 N GLY A 39 -11.703 2.731 -1.433 1.00 0.75 N ATOM 573 CA GLY A 39 -11.765 3.605 -0.277 1.00 0.87 C ATOM 574 C GLY A 39 -10.429 4.192 0.147 1.00 0.68 C ATOM 575 O GLY A 39 -10.361 4.916 1.145 1.00 0.76 O ATOM 0 H GLY A 39 -11.966 3.177 -2.312 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.453 4.422 -0.493 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -12.184 3.048 0.561 1.00 0.87 H new ATOM 579 N TYR A 40 -9.381 3.925 -0.601 1.00 0.55 N ATOM 580 CA TYR A 40 -8.074 4.436 -0.254 1.00 0.52 C ATOM 581 C TYR A 40 -7.897 5.880 -0.619 1.00 0.56 C ATOM 582 O TYR A 40 -7.632 6.234 -1.766 1.00 0.71 O ATOM 583 CB TYR A 40 -6.939 3.583 -0.805 1.00 0.60 C ATOM 584 CG TYR A 40 -6.473 2.541 0.153 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.116 1.324 0.277 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.389 2.799 0.968 1.00 0.62 C ATOM 587 CE1 TYR A 40 -6.687 0.397 1.199 1.00 0.94 C ATOM 588 CE2 TYR A 40 -4.953 1.884 1.878 1.00 0.79 C ATOM 589 CZ TYR A 40 -5.603 0.691 2.000 1.00 0.93 C ATOM 590 OH TYR A 40 -5.178 -0.205 2.927 1.00 1.21 O ATOM 0 H TYR A 40 -9.408 3.360 -1.450 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.021 4.373 0.833 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -7.269 3.101 -1.725 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.101 4.229 -1.066 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -7.962 1.099 -0.355 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -4.876 3.746 0.882 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -7.194 -0.552 1.295 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.097 2.102 2.500 1.00 0.79 H new ATOM 0 HH TYR A 40 -5.748 -1.002 2.897 1.00 1.21 H new ATOM 600 N ASP A 41 -8.101 6.696 0.367 1.00 0.58 N ATOM 601 CA ASP A 41 -7.890 8.120 0.279 1.00 0.77 C ATOM 602 C ASP A 41 -6.443 8.396 0.677 1.00 0.91 C ATOM 603 O ASP A 41 -5.733 7.468 1.109 1.00 1.78 O ATOM 604 CB ASP A 41 -8.851 8.829 1.241 1.00 0.86 C ATOM 605 CG ASP A 41 -8.844 10.335 1.126 1.00 1.62 C ATOM 606 OD1 ASP A 41 -9.434 10.855 0.184 1.00 2.34 O ATOM 607 OD2 ASP A 41 -8.221 11.007 1.973 1.00 2.07 O ATOM 0 H ASP A 41 -8.428 6.389 1.283 1.00 0.58 H new ATOM 0 HA ASP A 41 -8.076 8.486 -0.731 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -9.863 8.467 1.059 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -8.593 8.553 2.263 1.00 0.86 H new ATOM 612 N SER A 42 -6.024 9.633 0.569 1.00 0.59 N ATOM 613 CA SER A 42 -4.683 10.075 0.916 1.00 0.58 C ATOM 614 C SER A 42 -4.342 9.678 2.369 1.00 0.51 C ATOM 615 O SER A 42 -3.228 9.216 2.671 1.00 0.51 O ATOM 616 CB SER A 42 -4.628 11.583 0.728 1.00 0.71 C ATOM 617 OG SER A 42 -5.758 12.168 1.447 1.00 0.97 O ATOM 0 H SER A 42 -6.620 10.387 0.228 1.00 0.59 H new ATOM 0 HA SER A 42 -3.944 9.597 0.273 1.00 0.58 H new ATOM 0 HB2 SER A 42 -3.687 11.981 1.108 1.00 0.71 H new ATOM 0 HB3 SER A 42 -4.677 11.837 -0.331 1.00 0.71 H new ATOM 0 HG SER A 42 -6.478 11.507 1.518 1.00 0.97 H new ATOM 622 N LEU A 43 -5.337 9.844 3.241 1.00 0.48 N ATOM 623 CA LEU A 43 -5.255 9.486 4.654 1.00 0.51 C ATOM 624 C LEU A 43 -4.887 8.004 4.786 1.00 0.46 C ATOM 625 O LEU A 43 -3.878 7.653 5.401 1.00 0.50 O ATOM 626 CB LEU A 43 -6.633 9.797 5.326 1.00 0.60 C ATOM 627 CG LEU A 43 -6.797 9.647 6.875 1.00 0.76 C ATOM 628 CD1 LEU A 43 -6.795 8.198 7.342 1.00 1.40 C ATOM 629 CD2 LEU A 43 -5.736 10.443 7.612 1.00 1.64 C ATOM 0 H LEU A 43 -6.240 10.239 2.978 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.481 10.067 5.156 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -6.895 10.824 5.070 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.376 9.152 4.857 1.00 0.60 H new ATOM 0 HG LEU A 43 -7.780 10.051 7.116 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -6.912 8.165 8.425 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -7.620 7.663 6.871 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -5.852 7.728 7.065 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -5.872 10.322 8.687 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -4.748 10.082 7.328 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -5.826 11.498 7.351 1.00 1.64 H new ATOM 641 N ALA A 44 -5.668 7.159 4.135 1.00 0.44 N ATOM 642 CA ALA A 44 -5.495 5.714 4.215 1.00 0.45 C ATOM 643 C ALA A 44 -4.158 5.290 3.618 1.00 0.41 C ATOM 644 O ALA A 44 -3.529 4.325 4.083 1.00 0.47 O ATOM 645 CB ALA A 44 -6.647 5.009 3.516 1.00 0.51 C ATOM 0 H ALA A 44 -6.440 7.452 3.536 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.496 5.424 5.266 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.507 3.930 3.582 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.586 5.283 3.996 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -6.674 5.308 2.468 1.00 0.51 H new ATOM 651 N LEU A 45 -3.712 6.023 2.606 1.00 0.39 N ATOM 652 CA LEU A 45 -2.431 5.764 1.987 1.00 0.42 C ATOM 653 C LEU A 45 -1.298 5.948 2.977 1.00 0.41 C ATOM 654 O LEU A 45 -0.445 5.073 3.111 1.00 0.44 O ATOM 655 CB LEU A 45 -2.197 6.651 0.759 1.00 0.50 C ATOM 656 CG LEU A 45 -3.102 6.406 -0.442 1.00 0.61 C ATOM 657 CD1 LEU A 45 -2.746 7.361 -1.569 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.973 4.971 -0.912 1.00 0.90 C ATOM 0 H LEU A 45 -4.226 6.804 2.199 1.00 0.39 H new ATOM 0 HA LEU A 45 -2.448 4.726 1.656 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -2.310 7.691 1.064 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -1.163 6.523 0.438 1.00 0.50 H new ATOM 0 HG LEU A 45 -4.135 6.584 -0.144 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -3.399 7.177 -2.422 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -2.874 8.389 -1.229 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -1.709 7.204 -1.865 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -3.625 4.809 -1.771 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -1.940 4.773 -1.198 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -3.261 4.297 -0.106 1.00 0.90 H new ATOM 670 N MET A 46 -1.308 7.059 3.710 1.00 0.42 N ATOM 671 CA MET A 46 -0.221 7.328 4.641 1.00 0.48 C ATOM 672 C MET A 46 -0.275 6.415 5.852 1.00 0.46 C ATOM 673 O MET A 46 0.752 6.122 6.444 1.00 0.53 O ATOM 674 CB MET A 46 -0.108 8.805 5.069 1.00 0.57 C ATOM 675 CG MET A 46 -1.213 9.341 5.947 1.00 0.58 C ATOM 676 SD MET A 46 -0.828 10.988 6.552 1.00 1.46 S ATOM 677 CE MET A 46 -2.233 11.282 7.619 1.00 1.78 C ATOM 0 H MET A 46 -2.038 7.770 3.679 1.00 0.42 H new ATOM 0 HA MET A 46 0.688 7.108 4.081 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.838 8.936 5.594 1.00 0.57 H new ATOM 0 HB3 MET A 46 -0.061 9.418 4.169 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.146 9.367 5.385 1.00 0.58 H new ATOM 0 HG3 MET A 46 -1.368 8.669 6.791 1.00 0.58 H new ATOM 0 HE1 MET A 46 -1.962 12.008 8.385 1.00 1.78 H new ATOM 0 HE2 MET A 46 -3.063 11.670 7.029 1.00 1.78 H new ATOM 0 HE3 MET A 46 -2.531 10.347 8.094 1.00 1.78 H new ATOM 687 N GLU A 47 -1.467 5.969 6.229 1.00 0.44 N ATOM 688 CA GLU A 47 -1.600 5.022 7.330 1.00 0.49 C ATOM 689 C GLU A 47 -0.888 3.720 6.980 1.00 0.47 C ATOM 690 O GLU A 47 -0.064 3.214 7.751 1.00 0.51 O ATOM 691 CB GLU A 47 -3.071 4.767 7.653 1.00 0.54 C ATOM 692 CG GLU A 47 -3.816 6.011 8.106 1.00 0.78 C ATOM 693 CD GLU A 47 -3.208 6.623 9.340 1.00 1.06 C ATOM 694 OE1 GLU A 47 -3.577 6.218 10.472 1.00 1.03 O ATOM 695 OE2 GLU A 47 -2.319 7.477 9.214 1.00 1.88 O ATOM 0 H GLU A 47 -2.348 6.244 5.794 1.00 0.44 H new ATOM 0 HA GLU A 47 -1.135 5.449 8.218 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.563 4.360 6.770 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -3.137 4.009 8.433 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -3.816 6.746 7.301 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -4.857 5.756 8.305 1.00 0.78 H new ATOM 702 N THR A 48 -1.187 3.225 5.802 1.00 0.45 N ATOM 703 CA THR A 48 -0.578 2.032 5.271 1.00 0.48 C ATOM 704 C THR A 48 0.942 2.239 5.109 1.00 0.44 C ATOM 705 O THR A 48 1.745 1.410 5.564 1.00 0.46 O ATOM 706 CB THR A 48 -1.202 1.721 3.904 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.627 1.715 4.041 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.743 0.358 3.404 1.00 0.65 C ATOM 0 H THR A 48 -1.872 3.649 5.176 1.00 0.45 H new ATOM 0 HA THR A 48 -0.749 1.202 5.957 1.00 0.48 H new ATOM 0 HB THR A 48 -0.889 2.480 3.187 1.00 0.54 H new ATOM 0 HG1 THR A 48 -2.967 2.631 3.963 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.196 0.155 2.434 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.343 0.353 3.306 1.00 0.65 H new ATOM 0 HG23 THR A 48 -1.047 -0.411 4.114 1.00 0.65 H new ATOM 716 N ALA A 49 1.317 3.350 4.462 1.00 0.45 N ATOM 717 CA ALA A 49 2.713 3.686 4.202 1.00 0.48 C ATOM 718 C ALA A 49 3.531 3.704 5.484 1.00 0.44 C ATOM 719 O ALA A 49 4.561 3.054 5.557 1.00 0.45 O ATOM 720 CB ALA A 49 2.819 5.024 3.485 1.00 0.57 C ATOM 0 H ALA A 49 0.655 4.039 4.105 1.00 0.45 H new ATOM 0 HA ALA A 49 3.123 2.910 3.556 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.868 5.256 3.301 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.287 4.971 2.535 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.378 5.805 4.105 1.00 0.57 H new ATOM 726 N ALA A 50 3.030 4.400 6.501 1.00 0.44 N ATOM 727 CA ALA A 50 3.706 4.508 7.792 1.00 0.46 C ATOM 728 C ALA A 50 3.952 3.134 8.406 1.00 0.44 C ATOM 729 O ALA A 50 5.056 2.837 8.869 1.00 0.44 O ATOM 730 CB ALA A 50 2.889 5.362 8.731 1.00 0.56 C ATOM 0 H ALA A 50 2.145 4.905 6.454 1.00 0.44 H new ATOM 0 HA ALA A 50 4.676 4.979 7.629 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.399 5.438 9.691 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.768 6.358 8.305 1.00 0.56 H new ATOM 0 HB3 ALA A 50 1.909 4.908 8.876 1.00 0.56 H new ATOM 736 N ARG A 51 2.925 2.295 8.371 1.00 0.46 N ATOM 737 CA ARG A 51 3.002 0.933 8.875 1.00 0.48 C ATOM 738 C ARG A 51 4.092 0.138 8.151 1.00 0.46 C ATOM 739 O ARG A 51 4.894 -0.576 8.779 1.00 0.49 O ATOM 740 CB ARG A 51 1.628 0.258 8.740 1.00 0.54 C ATOM 741 CG ARG A 51 1.604 -1.236 9.019 1.00 0.78 C ATOM 742 CD ARG A 51 0.180 -1.753 9.083 1.00 0.80 C ATOM 743 NE ARG A 51 -0.504 -1.271 10.286 1.00 1.68 N ATOM 744 CZ ARG A 51 -1.826 -1.181 10.461 1.00 2.07 C ATOM 745 NH1 ARG A 51 -2.666 -1.287 9.438 1.00 1.80 N ATOM 746 NH2 ARG A 51 -2.301 -0.914 11.667 1.00 3.14 N ATOM 0 H ARG A 51 2.012 2.543 7.990 1.00 0.46 H new ATOM 0 HA ARG A 51 3.275 0.958 9.930 1.00 0.48 H new ATOM 0 HB2 ARG A 51 0.933 0.749 9.421 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.257 0.427 7.729 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.152 -1.764 8.239 1.00 0.78 H new ATOM 0 HG3 ARG A 51 2.112 -1.442 9.961 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.367 -1.431 8.197 1.00 0.80 H new ATOM 0 HD3 ARG A 51 0.185 -2.843 9.076 1.00 0.80 H new ATOM 0 HE ARG A 51 0.085 -0.976 11.064 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -2.306 -1.440 8.496 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -3.671 -1.215 9.594 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -1.660 -0.780 12.449 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -3.308 -0.843 11.814 1.00 3.14 H new ATOM 760 N LEU A 52 4.153 0.301 6.849 1.00 0.44 N ATOM 761 CA LEU A 52 5.142 -0.385 6.041 1.00 0.46 C ATOM 762 C LEU A 52 6.539 0.180 6.290 1.00 0.38 C ATOM 763 O LEU A 52 7.508 -0.578 6.380 1.00 0.40 O ATOM 764 CB LEU A 52 4.771 -0.329 4.557 1.00 0.55 C ATOM 765 CG LEU A 52 3.442 -0.999 4.186 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.143 -0.824 2.715 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.457 -2.477 4.552 1.00 0.80 C ATOM 0 H LEU A 52 3.525 0.907 6.321 1.00 0.44 H new ATOM 0 HA LEU A 52 5.154 -1.434 6.338 1.00 0.46 H new ATOM 0 HB2 LEU A 52 4.730 0.716 4.249 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.569 -0.800 3.982 1.00 0.55 H new ATOM 0 HG LEU A 52 2.652 -0.512 4.758 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.196 -1.308 2.476 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.077 0.239 2.481 1.00 0.83 H new ATOM 0 HD13 LEU A 52 3.940 -1.277 2.125 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.504 -2.929 4.279 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.263 -2.977 4.014 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.615 -2.585 5.625 1.00 0.80 H new ATOM 779 N GLU A 53 6.632 1.502 6.435 1.00 0.35 N ATOM 780 CA GLU A 53 7.900 2.158 6.734 1.00 0.33 C ATOM 781 C GLU A 53 8.457 1.678 8.061 1.00 0.34 C ATOM 782 O GLU A 53 9.667 1.472 8.196 1.00 0.41 O ATOM 783 CB GLU A 53 7.781 3.688 6.726 1.00 0.34 C ATOM 784 CG GLU A 53 7.468 4.280 5.366 1.00 0.35 C ATOM 785 CD GLU A 53 7.477 5.787 5.370 1.00 0.42 C ATOM 786 OE1 GLU A 53 8.564 6.382 5.186 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.422 6.405 5.553 1.00 0.59 O ATOM 0 H GLU A 53 5.840 2.139 6.349 1.00 0.35 H new ATOM 0 HA GLU A 53 8.593 1.882 5.939 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.001 3.984 7.427 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.715 4.116 7.090 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.197 3.919 4.641 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.490 3.928 5.038 1.00 0.35 H new ATOM 794 N SER A 54 7.583 1.514 9.032 1.00 0.36 N ATOM 795 CA SER A 54 7.965 0.985 10.321 1.00 0.43 C ATOM 796 C SER A 54 8.437 -0.484 10.208 1.00 0.42 C ATOM 797 O SER A 54 9.570 -0.805 10.544 1.00 0.48 O ATOM 798 CB SER A 54 6.801 1.096 11.305 1.00 0.55 C ATOM 799 OG SER A 54 6.370 2.451 11.466 1.00 1.22 O ATOM 0 H SER A 54 6.593 1.743 8.949 1.00 0.36 H new ATOM 0 HA SER A 54 8.801 1.577 10.694 1.00 0.43 H new ATOM 0 HB2 SER A 54 5.967 0.489 10.952 1.00 0.55 H new ATOM 0 HB3 SER A 54 7.102 0.693 12.272 1.00 0.55 H new ATOM 0 HG SER A 54 5.899 2.743 10.658 1.00 1.22 H new ATOM 805 N ARG A 55 7.579 -1.339 9.664 1.00 0.44 N ATOM 806 CA ARG A 55 7.843 -2.777 9.619 1.00 0.51 C ATOM 807 C ARG A 55 9.041 -3.135 8.731 1.00 0.56 C ATOM 808 O ARG A 55 9.902 -3.923 9.124 1.00 0.64 O ATOM 809 CB ARG A 55 6.589 -3.533 9.167 1.00 0.60 C ATOM 810 CG ARG A 55 6.716 -5.052 9.208 1.00 0.77 C ATOM 811 CD ARG A 55 5.399 -5.721 8.849 1.00 0.95 C ATOM 812 NE ARG A 55 4.318 -5.334 9.772 1.00 1.51 N ATOM 813 CZ ARG A 55 3.022 -5.665 9.642 1.00 1.97 C ATOM 814 NH1 ARG A 55 2.602 -6.379 8.596 1.00 1.87 N ATOM 815 NH2 ARG A 55 2.152 -5.261 10.558 1.00 2.88 N ATOM 0 H ARG A 55 6.691 -1.063 9.246 1.00 0.44 H new ATOM 0 HA ARG A 55 8.104 -3.085 10.631 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.753 -3.234 9.799 1.00 0.60 H new ATOM 0 HB3 ARG A 55 6.344 -3.229 8.149 1.00 0.60 H new ATOM 0 HG2 ARG A 55 7.492 -5.374 8.514 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.028 -5.367 10.204 1.00 0.77 H new ATOM 0 HD2 ARG A 55 5.121 -5.452 7.830 1.00 0.95 H new ATOM 0 HD3 ARG A 55 5.524 -6.804 8.870 1.00 0.95 H new ATOM 0 HE ARG A 55 4.575 -4.766 10.579 1.00 1.51 H new ATOM 0 HH11 ARG A 55 3.267 -6.680 7.884 1.00 1.87 H new ATOM 0 HH12 ARG A 55 1.616 -6.624 8.509 1.00 1.87 H new ATOM 0 HH21 ARG A 55 2.469 -4.704 11.352 1.00 2.88 H new ATOM 0 HH22 ARG A 55 1.166 -5.507 10.469 1.00 2.88 H new ATOM 829 N TYR A 56 9.119 -2.541 7.568 1.00 0.56 N ATOM 830 CA TYR A 56 10.176 -2.879 6.630 1.00 0.67 C ATOM 831 C TYR A 56 11.402 -1.999 6.791 1.00 0.70 C ATOM 832 O TYR A 56 12.431 -2.248 6.160 1.00 0.86 O ATOM 833 CB TYR A 56 9.660 -2.869 5.188 1.00 0.75 C ATOM 834 CG TYR A 56 8.611 -3.928 4.938 1.00 0.85 C ATOM 835 CD1 TYR A 56 8.967 -5.214 4.554 1.00 1.09 C ATOM 836 CD2 TYR A 56 7.262 -3.630 5.059 1.00 0.82 C ATOM 837 CE1 TYR A 56 8.013 -6.174 4.304 1.00 1.24 C ATOM 838 CE2 TYR A 56 6.297 -4.583 4.807 1.00 0.96 C ATOM 839 CZ TYR A 56 6.695 -5.896 4.527 1.00 1.17 C ATOM 840 OH TYR A 56 5.715 -6.800 4.170 1.00 1.33 O ATOM 0 H TYR A 56 8.471 -1.824 7.243 1.00 0.56 H new ATOM 0 HA TYR A 56 10.494 -3.895 6.865 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.241 -1.888 4.963 1.00 0.75 H new ATOM 0 HB3 TYR A 56 10.496 -3.023 4.506 1.00 0.75 H new ATOM 0 HD1 TYR A 56 10.012 -5.466 4.450 1.00 1.09 H new ATOM 0 HD2 TYR A 56 6.962 -2.636 5.355 1.00 0.82 H new ATOM 0 HE1 TYR A 56 8.306 -7.145 3.932 1.00 1.24 H new ATOM 0 HE2 TYR A 56 5.250 -4.320 4.825 1.00 0.96 H new ATOM 0 HH TYR A 56 4.835 -6.437 4.403 1.00 1.33 H new ATOM 850 N GLY A 57 11.304 -1.002 7.661 1.00 0.61 N ATOM 851 CA GLY A 57 12.416 -0.106 7.902 1.00 0.68 C ATOM 852 C GLY A 57 12.800 0.661 6.661 1.00 0.72 C ATOM 853 O GLY A 57 13.922 0.544 6.164 1.00 0.91 O ATOM 0 H GLY A 57 10.467 -0.798 8.207 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.153 0.594 8.695 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.274 -0.679 8.255 1.00 0.68 H new ATOM 857 N VAL A 58 11.864 1.418 6.149 1.00 0.62 N ATOM 858 CA VAL A 58 12.068 2.189 4.941 1.00 0.65 C ATOM 859 C VAL A 58 11.678 3.636 5.142 1.00 0.57 C ATOM 860 O VAL A 58 11.178 4.015 6.211 1.00 0.50 O ATOM 861 CB VAL A 58 11.357 1.609 3.671 1.00 0.67 C ATOM 862 CG1 VAL A 58 11.954 0.275 3.268 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.855 1.470 3.887 1.00 0.57 C ATOM 0 H VAL A 58 10.934 1.520 6.556 1.00 0.62 H new ATOM 0 HA VAL A 58 13.138 2.121 4.744 1.00 0.65 H new ATOM 0 HB VAL A 58 11.520 2.319 2.860 1.00 0.67 H new ATOM 0 HG11 VAL A 58 11.440 -0.102 2.384 1.00 0.81 H new ATOM 0 HG12 VAL A 58 13.013 0.403 3.045 1.00 0.81 H new ATOM 0 HG13 VAL A 58 11.839 -0.437 4.085 1.00 0.81 H new ATOM 0 HG21 VAL A 58 9.394 1.065 2.986 1.00 0.57 H new ATOM 0 HG22 VAL A 58 9.669 0.797 4.724 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.427 2.448 4.105 1.00 0.57 H new ATOM 873 N SER A 59 11.943 4.437 4.155 1.00 0.63 N ATOM 874 CA SER A 59 11.596 5.827 4.155 1.00 0.63 C ATOM 875 C SER A 59 11.040 6.183 2.785 1.00 0.62 C ATOM 876 O SER A 59 11.759 6.150 1.781 1.00 0.73 O ATOM 877 CB SER A 59 12.837 6.655 4.477 1.00 0.83 C ATOM 878 OG SER A 59 13.414 6.204 5.709 1.00 1.41 O ATOM 0 H SER A 59 12.419 4.135 3.305 1.00 0.63 H new ATOM 0 HA SER A 59 10.840 6.039 4.911 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.564 6.566 3.670 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.572 7.710 4.553 1.00 0.83 H new ATOM 0 HG SER A 59 14.211 6.737 5.911 1.00 1.41 H new ATOM 884 N ILE A 60 9.764 6.448 2.745 1.00 0.52 N ATOM 885 CA ILE A 60 9.076 6.751 1.513 1.00 0.53 C ATOM 886 C ILE A 60 9.079 8.256 1.248 1.00 0.59 C ATOM 887 O ILE A 60 8.638 9.043 2.101 1.00 0.67 O ATOM 888 CB ILE A 60 7.606 6.230 1.547 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.575 4.701 1.708 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.843 6.652 0.296 1.00 0.57 C ATOM 891 CD1 ILE A 60 6.177 4.117 1.796 1.00 0.55 C ATOM 0 H ILE A 60 9.164 6.461 3.570 1.00 0.52 H new ATOM 0 HA ILE A 60 9.608 6.245 0.707 1.00 0.53 H new ATOM 0 HB ILE A 60 7.113 6.679 2.409 1.00 0.51 H new ATOM 0 HG12 ILE A 60 8.095 4.247 0.865 1.00 0.50 H new ATOM 0 HG13 ILE A 60 8.128 4.429 2.607 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.822 6.275 0.348 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.825 7.740 0.231 1.00 0.57 H new ATOM 0 HG23 ILE A 60 7.336 6.244 -0.586 1.00 0.57 H new ATOM 0 HD11 ILE A 60 6.241 3.035 1.908 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.659 4.541 2.656 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.625 4.355 0.887 1.00 0.55 H new ATOM 903 N PRO A 61 9.605 8.683 0.082 1.00 0.62 N ATOM 904 CA PRO A 61 9.580 10.083 -0.323 1.00 0.71 C ATOM 905 C PRO A 61 8.143 10.534 -0.584 1.00 0.65 C ATOM 906 O PRO A 61 7.353 9.806 -1.222 1.00 0.57 O ATOM 907 CB PRO A 61 10.402 10.112 -1.620 1.00 0.78 C ATOM 908 CG PRO A 61 11.151 8.822 -1.637 1.00 0.77 C ATOM 909 CD PRO A 61 10.287 7.840 -0.913 1.00 0.64 C ATOM 0 HA PRO A 61 9.981 10.751 0.439 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.756 10.204 -2.493 1.00 0.78 H new ATOM 0 HB3 PRO A 61 11.083 10.963 -1.636 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.343 8.495 -2.659 1.00 0.77 H new ATOM 0 HG3 PRO A 61 12.120 8.926 -1.148 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.580 7.351 -1.583 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.876 7.053 -0.442 1.00 0.64 H new ATOM 917 N ASP A 62 7.824 11.721 -0.118 1.00 0.75 N ATOM 918 CA ASP A 62 6.464 12.271 -0.159 1.00 0.78 C ATOM 919 C ASP A 62 5.894 12.313 -1.565 1.00 0.68 C ATOM 920 O ASP A 62 4.752 11.905 -1.781 1.00 0.67 O ATOM 921 CB ASP A 62 6.399 13.686 0.447 1.00 0.99 C ATOM 922 CG ASP A 62 6.809 13.758 1.899 1.00 1.34 C ATOM 923 OD1 ASP A 62 5.948 13.522 2.793 1.00 2.03 O ATOM 924 OD2 ASP A 62 7.993 14.009 2.189 1.00 1.88 O ATOM 0 H ASP A 62 8.504 12.350 0.309 1.00 0.75 H new ATOM 0 HA ASP A 62 5.859 11.592 0.442 1.00 0.78 H new ATOM 0 HB2 ASP A 62 7.042 14.347 -0.134 1.00 0.99 H new ATOM 0 HB3 ASP A 62 5.381 14.064 0.349 1.00 0.99 H new ATOM 929 N ASP A 63 6.683 12.747 -2.534 1.00 0.67 N ATOM 930 CA ASP A 63 6.162 12.883 -3.905 1.00 0.67 C ATOM 931 C ASP A 63 5.967 11.516 -4.550 1.00 0.58 C ATOM 932 O ASP A 63 5.092 11.339 -5.397 1.00 0.60 O ATOM 933 CB ASP A 63 7.071 13.748 -4.808 1.00 0.85 C ATOM 934 CG ASP A 63 8.185 12.974 -5.496 1.00 1.44 C ATOM 935 OD1 ASP A 63 9.179 12.627 -4.837 1.00 2.23 O ATOM 936 OD2 ASP A 63 8.075 12.721 -6.732 1.00 1.95 O ATOM 0 H ASP A 63 7.662 13.008 -2.414 1.00 0.67 H new ATOM 0 HA ASP A 63 5.201 13.390 -3.815 1.00 0.67 H new ATOM 0 HB2 ASP A 63 6.456 14.230 -5.568 1.00 0.85 H new ATOM 0 HB3 ASP A 63 7.514 14.541 -4.205 1.00 0.85 H new ATOM 941 N VAL A 64 6.743 10.542 -4.121 1.00 0.60 N ATOM 942 CA VAL A 64 6.659 9.214 -4.684 1.00 0.64 C ATOM 943 C VAL A 64 5.426 8.510 -4.134 1.00 0.60 C ATOM 944 O VAL A 64 4.742 7.792 -4.844 1.00 0.58 O ATOM 945 CB VAL A 64 7.930 8.379 -4.401 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.850 7.035 -5.093 1.00 0.97 C ATOM 947 CG2 VAL A 64 9.168 9.122 -4.858 1.00 0.98 C ATOM 0 H VAL A 64 7.439 10.647 -3.383 1.00 0.60 H new ATOM 0 HA VAL A 64 6.578 9.310 -5.767 1.00 0.64 H new ATOM 0 HB VAL A 64 7.995 8.216 -3.325 1.00 0.84 H new ATOM 0 HG11 VAL A 64 8.753 6.463 -4.882 1.00 0.97 H new ATOM 0 HG12 VAL A 64 6.980 6.489 -4.727 1.00 0.97 H new ATOM 0 HG13 VAL A 64 7.759 7.185 -6.169 1.00 0.97 H new ATOM 0 HG21 VAL A 64 10.052 8.519 -4.650 1.00 0.98 H new ATOM 0 HG22 VAL A 64 9.103 9.314 -5.929 1.00 0.98 H new ATOM 0 HG23 VAL A 64 9.242 10.069 -4.324 1.00 0.98 H new ATOM 957 N ALA A 65 5.120 8.774 -2.881 1.00 0.72 N ATOM 958 CA ALA A 65 3.916 8.237 -2.252 1.00 0.85 C ATOM 959 C ALA A 65 2.660 8.743 -2.969 1.00 0.80 C ATOM 960 O ALA A 65 1.641 8.063 -3.028 1.00 0.90 O ATOM 961 CB ALA A 65 3.877 8.621 -0.793 1.00 1.09 C ATOM 0 H ALA A 65 5.688 9.360 -2.269 1.00 0.72 H new ATOM 0 HA ALA A 65 3.940 7.150 -2.330 1.00 0.85 H new ATOM 0 HB1 ALA A 65 2.975 8.216 -0.334 1.00 1.09 H new ATOM 0 HB2 ALA A 65 4.754 8.218 -0.287 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.873 9.707 -0.703 1.00 1.09 H new ATOM 967 N GLY A 66 2.767 9.927 -3.544 1.00 0.73 N ATOM 968 CA GLY A 66 1.658 10.509 -4.251 1.00 0.81 C ATOM 969 C GLY A 66 1.603 10.104 -5.716 1.00 0.73 C ATOM 970 O GLY A 66 0.637 10.405 -6.399 1.00 0.92 O ATOM 0 H GLY A 66 3.612 10.498 -3.531 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.729 10.213 -3.764 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.722 11.595 -4.183 1.00 0.81 H new ATOM 974 N ARG A 67 2.622 9.408 -6.210 1.00 0.56 N ATOM 975 CA ARG A 67 2.636 9.021 -7.626 1.00 0.61 C ATOM 976 C ARG A 67 2.176 7.575 -7.788 1.00 0.58 C ATOM 977 O ARG A 67 2.222 7.014 -8.885 1.00 0.79 O ATOM 978 CB ARG A 67 4.031 9.174 -8.261 1.00 0.63 C ATOM 979 CG ARG A 67 5.033 8.135 -7.798 1.00 0.57 C ATOM 980 CD ARG A 67 6.331 8.208 -8.553 1.00 0.87 C ATOM 981 NE ARG A 67 7.083 9.438 -8.315 1.00 1.64 N ATOM 982 CZ ARG A 67 8.398 9.543 -8.517 1.00 2.30 C ATOM 983 NH1 ARG A 67 9.105 8.454 -8.844 1.00 2.40 N ATOM 984 NH2 ARG A 67 9.015 10.697 -8.310 1.00 3.30 N ATOM 0 H ARG A 67 3.433 9.104 -5.671 1.00 0.56 H new ATOM 0 HA ARG A 67 1.951 9.695 -8.140 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.935 9.114 -9.345 1.00 0.63 H new ATOM 0 HB3 ARG A 67 4.418 10.166 -8.030 1.00 0.63 H new ATOM 0 HG2 ARG A 67 5.227 8.272 -6.734 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.602 7.141 -7.918 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.950 7.355 -8.276 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.126 8.119 -9.620 1.00 0.87 H new ATOM 0 HE ARG A 67 6.578 10.257 -7.978 1.00 1.64 H new ATOM 0 HH11 ARG A 67 8.638 7.552 -8.937 1.00 2.40 H new ATOM 0 HH12 ARG A 67 10.110 8.527 -9.000 1.00 2.40 H new ATOM 0 HH21 ARG A 67 8.485 11.509 -7.995 1.00 3.30 H new ATOM 0 HH22 ARG A 67 10.020 10.773 -8.466 1.00 3.30 H new ATOM 998 N VAL A 68 1.729 6.981 -6.712 1.00 0.45 N ATOM 999 CA VAL A 68 1.318 5.629 -6.728 1.00 0.45 C ATOM 1000 C VAL A 68 -0.092 5.581 -7.281 1.00 0.46 C ATOM 1001 O VAL A 68 -1.042 6.075 -6.660 1.00 0.53 O ATOM 1002 CB VAL A 68 1.314 5.081 -5.300 1.00 0.53 C ATOM 1003 CG1 VAL A 68 1.036 3.632 -5.320 1.00 1.45 C ATOM 1004 CG2 VAL A 68 2.620 5.355 -4.585 1.00 0.85 C ATOM 0 H VAL A 68 1.645 7.436 -5.803 1.00 0.45 H new ATOM 0 HA VAL A 68 1.995 5.032 -7.339 1.00 0.45 H new ATOM 0 HB VAL A 68 0.527 5.596 -4.748 1.00 0.53 H new ATOM 0 HG11 VAL A 68 1.035 3.248 -4.300 1.00 1.45 H new ATOM 0 HG12 VAL A 68 0.062 3.455 -5.776 1.00 1.45 H new ATOM 0 HG13 VAL A 68 1.806 3.122 -5.899 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.574 4.949 -3.574 1.00 0.85 H new ATOM 0 HG22 VAL A 68 3.438 4.883 -5.129 1.00 0.85 H new ATOM 0 HG23 VAL A 68 2.790 6.431 -4.536 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.212 5.052 -8.466 1.00 0.47 N ATOM 1015 CA ASP A 69 -1.485 5.016 -9.159 1.00 0.53 C ATOM 1016 C ASP A 69 -2.249 3.752 -8.800 1.00 0.42 C ATOM 1017 O ASP A 69 -3.469 3.771 -8.629 1.00 0.48 O ATOM 1018 CB ASP A 69 -1.249 5.115 -10.668 1.00 0.71 C ATOM 1019 CG ASP A 69 -2.522 5.089 -11.467 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -3.394 5.957 -11.244 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -2.657 4.218 -12.383 1.00 2.04 O ATOM 0 H ASP A 69 0.561 4.633 -8.983 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.092 5.866 -8.848 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -0.709 6.037 -10.886 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -0.611 4.290 -10.985 1.00 0.71 H new ATOM 1026 N THR A 70 -1.527 2.677 -8.638 1.00 0.35 N ATOM 1027 CA THR A 70 -2.086 1.417 -8.230 1.00 0.29 C ATOM 1028 C THR A 70 -1.174 0.785 -7.164 1.00 0.26 C ATOM 1029 O THR A 70 0.019 1.124 -7.110 1.00 0.29 O ATOM 1030 CB THR A 70 -2.318 0.454 -9.443 1.00 0.37 C ATOM 1031 OG1 THR A 70 -1.161 0.366 -10.301 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.522 0.876 -10.260 1.00 0.39 C ATOM 0 H THR A 70 -0.518 2.651 -8.788 1.00 0.35 H new ATOM 0 HA THR A 70 -3.071 1.593 -7.798 1.00 0.29 H new ATOM 0 HB THR A 70 -2.502 -0.532 -9.017 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.674 1.216 -10.282 1.00 0.50 H new ATOM 0 HG21 THR A 70 -3.655 0.187 -11.094 1.00 0.39 H new ATOM 0 HG22 THR A 70 -4.412 0.861 -9.631 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.366 1.884 -10.644 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.719 -0.109 -6.276 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.961 -0.736 -5.153 1.00 0.31 C ATOM 1042 C PRO A 71 0.392 -1.306 -5.577 1.00 0.32 C ATOM 1043 O PRO A 71 1.363 -1.283 -4.819 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.888 -1.861 -4.707 1.00 0.34 C ATOM 1045 CG PRO A 71 -3.252 -1.357 -5.013 1.00 0.34 C ATOM 1046 CD PRO A 71 -3.128 -0.569 -6.287 1.00 0.30 C ATOM 0 HA PRO A 71 -0.719 -0.009 -4.378 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.677 -2.786 -5.243 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.772 -2.074 -3.644 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.955 -2.182 -5.131 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.628 -0.732 -4.203 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -3.342 -1.184 -7.161 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.824 0.270 -6.309 1.00 0.30 H new ATOM 1054 N ARG A 72 0.426 -1.800 -6.787 1.00 0.32 N ATOM 1055 CA ARG A 72 1.606 -2.349 -7.421 1.00 0.38 C ATOM 1056 C ARG A 72 2.819 -1.393 -7.341 1.00 0.35 C ATOM 1057 O ARG A 72 3.910 -1.816 -6.991 1.00 0.36 O ATOM 1058 CB ARG A 72 1.233 -2.678 -8.848 1.00 0.45 C ATOM 1059 CG ARG A 72 2.360 -3.038 -9.798 1.00 0.88 C ATOM 1060 CD ARG A 72 1.778 -3.313 -11.174 1.00 0.81 C ATOM 1061 NE ARG A 72 0.830 -2.252 -11.543 1.00 0.86 N ATOM 1062 CZ ARG A 72 -0.182 -2.377 -12.414 1.00 1.05 C ATOM 1063 NH1 ARG A 72 -0.199 -3.382 -13.293 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.152 -1.463 -12.431 1.00 1.55 N ATOM 0 H ARG A 72 -0.399 -1.834 -7.386 1.00 0.32 H new ATOM 0 HA ARG A 72 1.926 -3.249 -6.896 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.529 -3.510 -8.829 1.00 0.45 H new ATOM 0 HB3 ARG A 72 0.702 -1.821 -9.264 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.083 -2.224 -9.851 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.894 -3.915 -9.433 1.00 0.88 H new ATOM 0 HD2 ARG A 72 2.579 -3.369 -11.912 1.00 0.81 H new ATOM 0 HD3 ARG A 72 1.274 -4.279 -11.178 1.00 0.81 H new ATOM 0 HE ARG A 72 0.952 -1.342 -11.098 1.00 0.86 H new ATOM 0 HH11 ARG A 72 0.561 -4.062 -13.305 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -0.972 -3.470 -13.952 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -1.121 -0.675 -11.784 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -1.925 -1.552 -13.091 1.00 1.55 H new ATOM 1078 N GLU A 73 2.605 -0.107 -7.622 1.00 0.34 N ATOM 1079 CA GLU A 73 3.694 0.883 -7.577 1.00 0.36 C ATOM 1080 C GLU A 73 4.195 1.106 -6.158 1.00 0.32 C ATOM 1081 O GLU A 73 5.362 1.419 -5.945 1.00 0.35 O ATOM 1082 CB GLU A 73 3.319 2.237 -8.213 1.00 0.42 C ATOM 1083 CG GLU A 73 3.060 2.210 -9.716 1.00 0.60 C ATOM 1084 CD GLU A 73 1.791 1.504 -10.085 1.00 1.37 C ATOM 1085 OE1 GLU A 73 0.706 2.125 -10.059 1.00 2.18 O ATOM 1086 OE2 GLU A 73 1.861 0.310 -10.422 1.00 1.78 O ATOM 0 H GLU A 73 1.696 0.276 -7.882 1.00 0.34 H new ATOM 0 HA GLU A 73 4.495 0.451 -8.177 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.427 2.617 -7.715 1.00 0.42 H new ATOM 0 HB3 GLU A 73 4.122 2.947 -8.013 1.00 0.42 H new ATOM 0 HG2 GLU A 73 3.020 3.233 -10.089 1.00 0.60 H new ATOM 0 HG3 GLU A 73 3.898 1.721 -10.214 1.00 0.60 H new ATOM 1093 N LEU A 74 3.306 0.962 -5.197 1.00 0.31 N ATOM 1094 CA LEU A 74 3.661 1.114 -3.795 1.00 0.32 C ATOM 1095 C LEU A 74 4.552 -0.069 -3.409 1.00 0.30 C ATOM 1096 O LEU A 74 5.601 0.100 -2.795 1.00 0.31 O ATOM 1097 CB LEU A 74 2.364 1.196 -2.931 1.00 0.36 C ATOM 1098 CG LEU A 74 2.472 1.713 -1.470 1.00 0.39 C ATOM 1099 CD1 LEU A 74 3.190 0.740 -0.554 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.150 3.076 -1.435 1.00 0.44 C ATOM 0 H LEU A 74 2.324 0.738 -5.360 1.00 0.31 H new ATOM 0 HA LEU A 74 4.213 2.037 -3.618 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.657 1.837 -3.457 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.926 0.198 -2.897 1.00 0.36 H new ATOM 0 HG LEU A 74 1.453 1.808 -1.094 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.235 1.154 0.453 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.650 -0.206 -0.533 1.00 0.44 H new ATOM 0 HD13 LEU A 74 4.202 0.572 -0.923 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.217 3.423 -0.404 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.152 2.995 -1.856 1.00 0.44 H new ATOM 0 HD23 LEU A 74 2.567 3.788 -2.020 1.00 0.44 H new ATOM 1112 N LEU A 75 4.121 -1.253 -3.825 1.00 0.29 N ATOM 1113 CA LEU A 75 4.858 -2.505 -3.635 1.00 0.30 C ATOM 1114 C LEU A 75 6.262 -2.368 -4.240 1.00 0.29 C ATOM 1115 O LEU A 75 7.289 -2.591 -3.571 1.00 0.30 O ATOM 1116 CB LEU A 75 4.090 -3.621 -4.360 1.00 0.33 C ATOM 1117 CG LEU A 75 4.661 -5.029 -4.281 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.648 -5.515 -2.859 1.00 0.41 C ATOM 1119 CD2 LEU A 75 3.872 -5.970 -5.171 1.00 0.45 C ATOM 0 H LEU A 75 3.234 -1.377 -4.313 1.00 0.29 H new ATOM 0 HA LEU A 75 4.952 -2.737 -2.574 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.076 -3.646 -3.961 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.012 -3.348 -5.412 1.00 0.33 H new ATOM 0 HG LEU A 75 5.693 -5.008 -4.632 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.059 -6.524 -2.815 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.252 -4.850 -2.242 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.623 -5.524 -2.487 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.293 -6.973 -5.103 1.00 0.45 H new ATOM 0 HD22 LEU A 75 2.831 -5.990 -4.847 1.00 0.45 H new ATOM 0 HD23 LEU A 75 3.924 -5.624 -6.203 1.00 0.45 H new ATOM 1131 N ASP A 76 6.266 -1.952 -5.492 1.00 0.31 N ATOM 1132 CA ASP A 76 7.462 -1.725 -6.299 1.00 0.34 C ATOM 1133 C ASP A 76 8.413 -0.722 -5.628 1.00 0.32 C ATOM 1134 O ASP A 76 9.641 -0.889 -5.654 1.00 0.34 O ATOM 1135 CB ASP A 76 7.015 -1.227 -7.683 1.00 0.45 C ATOM 1136 CG ASP A 76 8.137 -0.947 -8.630 1.00 0.78 C ATOM 1137 OD1 ASP A 76 8.906 -1.877 -8.950 1.00 0.90 O ATOM 1138 OD2 ASP A 76 8.317 0.223 -9.024 1.00 1.25 O ATOM 0 H ASP A 76 5.404 -1.753 -6.000 1.00 0.31 H new ATOM 0 HA ASP A 76 8.019 -2.657 -6.400 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.357 -1.973 -8.129 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.427 -0.318 -7.556 1.00 0.45 H new ATOM 1143 N LEU A 77 7.832 0.306 -5.033 1.00 0.32 N ATOM 1144 CA LEU A 77 8.572 1.326 -4.298 1.00 0.36 C ATOM 1145 C LEU A 77 9.251 0.754 -3.055 1.00 0.34 C ATOM 1146 O LEU A 77 10.434 1.003 -2.824 1.00 0.40 O ATOM 1147 CB LEU A 77 7.631 2.469 -3.893 1.00 0.41 C ATOM 1148 CG LEU A 77 8.192 3.533 -2.978 1.00 0.53 C ATOM 1149 CD1 LEU A 77 9.375 4.255 -3.616 1.00 0.94 C ATOM 1150 CD2 LEU A 77 7.102 4.504 -2.568 1.00 1.35 C ATOM 0 H LEU A 77 6.824 0.460 -5.045 1.00 0.32 H new ATOM 0 HA LEU A 77 9.351 1.705 -4.959 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.280 2.956 -4.803 1.00 0.41 H new ATOM 0 HB3 LEU A 77 6.758 2.032 -3.408 1.00 0.41 H new ATOM 0 HG LEU A 77 8.568 3.044 -2.079 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.752 5.013 -2.929 1.00 0.94 H new ATOM 0 HD12 LEU A 77 10.165 3.537 -3.833 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.054 4.732 -4.542 1.00 0.94 H new ATOM 0 HD21 LEU A 77 7.521 5.264 -1.909 1.00 1.35 H new ATOM 0 HD22 LEU A 77 6.687 4.982 -3.456 1.00 1.35 H new ATOM 0 HD23 LEU A 77 6.313 3.965 -2.044 1.00 1.35 H new ATOM 1162 N ILE A 78 8.514 -0.036 -2.285 1.00 0.30 N ATOM 1163 CA ILE A 78 9.031 -0.590 -1.036 1.00 0.32 C ATOM 1164 C ILE A 78 10.203 -1.505 -1.325 1.00 0.33 C ATOM 1165 O ILE A 78 11.275 -1.341 -0.753 1.00 0.39 O ATOM 1166 CB ILE A 78 7.938 -1.384 -0.257 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.750 -0.478 0.105 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.523 -2.029 1.007 1.00 0.38 C ATOM 1169 CD1 ILE A 78 7.109 0.700 0.993 1.00 0.42 C ATOM 0 H ILE A 78 7.555 -0.309 -2.502 1.00 0.30 H new ATOM 0 HA ILE A 78 9.351 0.246 -0.414 1.00 0.32 H new ATOM 0 HB ILE A 78 7.576 -2.177 -0.911 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.302 -0.101 -0.815 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.991 -1.078 0.607 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.740 -2.577 1.532 1.00 0.38 H new ATOM 0 HG22 ILE A 78 9.322 -2.716 0.728 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.923 -1.253 1.660 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.214 1.286 1.199 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.528 0.335 1.931 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.844 1.326 0.487 1.00 0.42 H new ATOM 1181 N ASN A 79 10.009 -2.435 -2.228 1.00 0.33 N ATOM 1182 CA ASN A 79 11.063 -3.385 -2.585 1.00 0.38 C ATOM 1183 C ASN A 79 12.257 -2.679 -3.195 1.00 0.38 C ATOM 1184 O ASN A 79 13.410 -3.048 -2.937 1.00 0.42 O ATOM 1185 CB ASN A 79 10.533 -4.483 -3.500 1.00 0.46 C ATOM 1186 CG ASN A 79 9.548 -5.373 -2.781 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.652 -5.577 -1.576 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.577 -5.879 -3.486 1.00 0.82 N ATOM 0 H ASN A 79 9.134 -2.564 -2.736 1.00 0.33 H new ATOM 0 HA ASN A 79 11.402 -3.863 -1.666 1.00 0.38 H new ATOM 0 HB2 ASN A 79 10.052 -4.034 -4.369 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.364 -5.083 -3.870 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.873 -6.465 -3.038 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.521 -5.689 -4.487 1.00 0.82 H new ATOM 1195 N GLY A 80 11.983 -1.629 -3.955 1.00 0.38 N ATOM 1196 CA GLY A 80 13.035 -0.825 -4.524 1.00 0.46 C ATOM 1197 C GLY A 80 13.853 -0.138 -3.445 1.00 0.50 C ATOM 1198 O GLY A 80 15.090 -0.102 -3.514 1.00 0.62 O ATOM 0 H GLY A 80 11.039 -1.320 -4.187 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.686 -1.453 -5.132 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.604 -0.076 -5.188 1.00 0.46 H new ATOM 1202 N ALA A 81 13.169 0.361 -2.429 1.00 0.47 N ATOM 1203 CA ALA A 81 13.812 1.032 -1.312 1.00 0.57 C ATOM 1204 C ALA A 81 14.561 0.027 -0.445 1.00 0.62 C ATOM 1205 O ALA A 81 15.638 0.319 0.058 1.00 0.80 O ATOM 1206 CB ALA A 81 12.782 1.787 -0.484 1.00 0.59 C ATOM 0 H ALA A 81 12.153 0.312 -2.355 1.00 0.47 H new ATOM 0 HA ALA A 81 14.532 1.749 -1.707 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.279 2.284 0.349 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.288 2.531 -1.109 1.00 0.59 H new ATOM 0 HB3 ALA A 81 12.041 1.087 -0.099 1.00 0.59 H new ATOM 1212 N LEU A 82 13.991 -1.164 -0.297 1.00 0.54 N ATOM 1213 CA LEU A 82 14.610 -2.253 0.466 1.00 0.61 C ATOM 1214 C LEU A 82 15.922 -2.688 -0.159 1.00 0.74 C ATOM 1215 O LEU A 82 16.901 -2.925 0.545 1.00 0.89 O ATOM 1216 CB LEU A 82 13.663 -3.457 0.576 1.00 0.54 C ATOM 1217 CG LEU A 82 12.453 -3.285 1.492 1.00 0.58 C ATOM 1218 CD1 LEU A 82 11.514 -4.469 1.357 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.913 -3.155 2.933 1.00 0.68 C ATOM 0 H LEU A 82 13.086 -1.406 -0.701 1.00 0.54 H new ATOM 0 HA LEU A 82 14.812 -1.871 1.467 1.00 0.61 H new ATOM 0 HB2 LEU A 82 13.303 -3.702 -0.423 1.00 0.54 H new ATOM 0 HB3 LEU A 82 14.238 -4.314 0.927 1.00 0.54 H new ATOM 0 HG LEU A 82 11.919 -2.380 1.200 1.00 0.58 H new ATOM 0 HD11 LEU A 82 10.657 -4.331 2.016 1.00 0.63 H new ATOM 0 HD12 LEU A 82 11.170 -4.545 0.326 1.00 0.63 H new ATOM 0 HD13 LEU A 82 12.040 -5.383 1.632 1.00 0.63 H new ATOM 0 HD21 LEU A 82 12.046 -3.033 3.582 1.00 0.68 H new ATOM 0 HD22 LEU A 82 13.459 -4.052 3.223 1.00 0.68 H new ATOM 0 HD23 LEU A 82 13.564 -2.286 3.030 1.00 0.68 H new