USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 533 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 91:sc= 0.758 USER MOD Set 1.2: A 40 TYR OH : rot 37:sc= 2.04 USER MOD Set 1.3: A 48 THR OG1 : rot 69:sc= 0.867 USER MOD Single : A 6 THR OG1 : rot -80:sc= 1.19 USER MOD Single : A 7 THR OG1 : rot 180:sc=0.000658 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 179:sc= -1.1 (180deg=-1.1) USER MOD Single : A 54 SER OG : rot 80:sc= 0.309 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 17:sc= 1.26 USER MOD Single : A 70 THR OG1 : rot -34:sc= -0.0219 USER MOD Single : A 79 ASN : amide:sc= -1.62! C(o=-1.6!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -9.146 7.654 -4.712 1.00 0.89 N ATOM 45 CA LEU A 4 -8.761 6.324 -4.809 1.00 0.69 C ATOM 46 C LEU A 4 -7.272 6.369 -4.672 1.00 0.63 C ATOM 47 O LEU A 4 -6.687 7.434 -4.857 1.00 0.87 O ATOM 48 CB LEU A 4 -9.108 5.810 -6.193 1.00 0.83 C ATOM 49 CG LEU A 4 -8.886 4.343 -6.417 1.00 1.14 C ATOM 50 CD1 LEU A 4 -9.901 3.515 -5.642 1.00 1.27 C ATOM 51 CD2 LEU A 4 -8.887 4.004 -7.893 1.00 1.51 C ATOM 0 HA LEU A 4 -9.243 5.685 -4.069 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -10.156 6.035 -6.392 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.519 6.364 -6.924 1.00 0.83 H new ATOM 0 HG LEU A 4 -7.898 4.089 -6.034 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -9.719 2.455 -5.821 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.804 3.725 -4.577 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -10.908 3.771 -5.972 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -8.724 2.934 -8.021 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -9.847 4.279 -8.329 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -8.090 4.555 -8.393 1.00 1.51 H new ATOM 63 N LEU A 5 -6.665 5.282 -4.352 1.00 0.49 N ATOM 64 CA LEU A 5 -5.251 5.256 -4.240 1.00 0.44 C ATOM 65 C LEU A 5 -4.667 4.912 -5.575 1.00 0.39 C ATOM 66 O LEU A 5 -5.031 3.902 -6.165 1.00 0.42 O ATOM 67 CB LEU A 5 -4.810 4.209 -3.223 1.00 0.47 C ATOM 68 CG LEU A 5 -5.247 4.421 -1.779 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.745 3.285 -0.916 1.00 0.80 C ATOM 70 CD2 LEU A 5 -4.738 5.746 -1.250 1.00 0.79 C ATOM 0 H LEU A 5 -7.129 4.394 -4.162 1.00 0.49 H new ATOM 0 HA LEU A 5 -4.905 6.235 -3.909 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -5.184 3.239 -3.551 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.722 4.154 -3.243 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.336 4.439 -1.747 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.061 3.444 0.115 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -5.155 2.343 -1.280 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.656 3.248 -0.960 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -5.063 5.875 -0.218 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.649 5.760 -1.292 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -5.135 6.558 -1.859 1.00 0.79 H new ATOM 82 N THR A 6 -3.833 5.751 -6.069 1.00 0.38 N ATOM 83 CA THR A 6 -3.106 5.444 -7.249 1.00 0.40 C ATOM 84 C THR A 6 -1.701 5.044 -6.824 1.00 0.34 C ATOM 85 O THR A 6 -1.449 4.937 -5.622 1.00 0.30 O ATOM 86 CB THR A 6 -3.061 6.651 -8.202 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.445 7.777 -7.535 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.466 7.030 -8.653 1.00 0.63 C ATOM 0 H THR A 6 -3.634 6.668 -5.670 1.00 0.38 H new ATOM 0 HA THR A 6 -3.591 4.631 -7.790 1.00 0.40 H new ATOM 0 HB THR A 6 -2.473 6.380 -9.079 1.00 0.51 H new ATOM 0 HG1 THR A 6 -3.101 8.208 -6.948 1.00 0.56 H new ATOM 0 HG21 THR A 6 -4.414 7.886 -9.326 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.921 6.187 -9.172 1.00 0.63 H new ATOM 0 HG23 THR A 6 -5.070 7.289 -7.783 1.00 0.63 H new ATOM 96 N THR A 7 -0.804 4.831 -7.762 1.00 0.37 N ATOM 97 CA THR A 7 0.589 4.572 -7.450 1.00 0.37 C ATOM 98 C THR A 7 1.150 5.749 -6.618 1.00 0.35 C ATOM 99 O THR A 7 1.839 5.548 -5.617 1.00 0.34 O ATOM 100 CB THR A 7 1.388 4.391 -8.756 1.00 0.48 C ATOM 101 OG1 THR A 7 0.719 3.400 -9.567 1.00 0.61 O ATOM 102 CG2 THR A 7 2.802 3.911 -8.459 1.00 0.56 C ATOM 0 H THR A 7 -1.016 4.832 -8.760 1.00 0.37 H new ATOM 0 HA THR A 7 0.677 3.656 -6.866 1.00 0.37 H new ATOM 0 HB THR A 7 1.445 5.347 -9.276 1.00 0.48 H new ATOM 0 HG1 THR A 7 1.214 3.274 -10.403 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.349 3.790 -9.394 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.311 4.644 -7.833 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.760 2.955 -7.937 1.00 0.56 H new ATOM 110 N ASP A 8 0.788 6.961 -7.034 1.00 0.43 N ATOM 111 CA ASP A 8 1.174 8.215 -6.374 1.00 0.50 C ATOM 112 C ASP A 8 0.681 8.241 -4.922 1.00 0.44 C ATOM 113 O ASP A 8 1.451 8.501 -3.993 1.00 0.46 O ATOM 114 CB ASP A 8 0.587 9.401 -7.172 1.00 0.67 C ATOM 115 CG ASP A 8 0.842 10.779 -6.575 1.00 1.08 C ATOM 116 OD1 ASP A 8 1.997 11.249 -6.590 1.00 1.26 O ATOM 117 OD2 ASP A 8 -0.125 11.438 -6.126 1.00 1.65 O ATOM 0 H ASP A 8 0.205 7.106 -7.858 1.00 0.43 H new ATOM 0 HA ASP A 8 2.261 8.293 -6.353 1.00 0.50 H new ATOM 0 HB2 ASP A 8 1.000 9.378 -8.181 1.00 0.67 H new ATOM 0 HB3 ASP A 8 -0.489 9.257 -7.265 1.00 0.67 H new ATOM 122 N ASP A 9 -0.589 7.919 -4.734 1.00 0.42 N ATOM 123 CA ASP A 9 -1.203 7.907 -3.391 1.00 0.42 C ATOM 124 C ASP A 9 -0.648 6.787 -2.540 1.00 0.40 C ATOM 125 O ASP A 9 -0.431 6.956 -1.332 1.00 0.45 O ATOM 126 CB ASP A 9 -2.720 7.733 -3.448 1.00 0.46 C ATOM 127 CG ASP A 9 -3.436 8.805 -4.203 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.737 9.846 -3.592 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.692 8.632 -5.422 1.00 1.41 O ATOM 0 H ASP A 9 -1.226 7.660 -5.488 1.00 0.42 H new ATOM 0 HA ASP A 9 -0.963 8.875 -2.952 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.946 6.770 -3.906 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -3.108 7.701 -2.430 1.00 0.46 H new ATOM 134 N LEU A 10 -0.439 5.639 -3.164 1.00 0.37 N ATOM 135 CA LEU A 10 0.033 4.453 -2.474 1.00 0.36 C ATOM 136 C LEU A 10 1.454 4.668 -1.986 1.00 0.36 C ATOM 137 O LEU A 10 1.779 4.348 -0.847 1.00 0.41 O ATOM 138 CB LEU A 10 -0.016 3.236 -3.400 1.00 0.35 C ATOM 139 CG LEU A 10 0.106 1.884 -2.715 1.00 0.37 C ATOM 140 CD1 LEU A 10 -1.124 1.635 -1.853 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.292 0.772 -3.736 1.00 0.37 C ATOM 0 H LEU A 10 -0.592 5.505 -4.163 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.618 4.269 -1.620 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.955 3.260 -3.952 1.00 0.35 H new ATOM 0 HB3 LEU A 10 0.787 3.326 -4.132 1.00 0.35 H new ATOM 0 HG LEU A 10 0.988 1.890 -2.075 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.035 0.665 -1.363 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.204 2.417 -1.098 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -2.016 1.644 -2.480 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.377 -0.185 -3.221 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.566 0.748 -4.408 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.199 0.955 -4.312 1.00 0.37 H new ATOM 153 N ARG A 11 2.286 5.220 -2.866 1.00 0.36 N ATOM 154 CA ARG A 11 3.679 5.542 -2.561 1.00 0.38 C ATOM 155 C ARG A 11 3.748 6.407 -1.317 1.00 0.39 C ATOM 156 O ARG A 11 4.538 6.153 -0.413 1.00 0.41 O ATOM 157 CB ARG A 11 4.305 6.283 -3.735 1.00 0.42 C ATOM 158 CG ARG A 11 5.784 6.581 -3.583 1.00 0.52 C ATOM 159 CD ARG A 11 6.275 7.427 -4.735 1.00 0.71 C ATOM 160 NE ARG A 11 5.660 8.746 -4.728 1.00 1.21 N ATOM 161 CZ ARG A 11 4.886 9.249 -5.699 1.00 1.60 C ATOM 162 NH1 ARG A 11 4.691 8.565 -6.837 1.00 1.92 N ATOM 163 NH2 ARG A 11 4.323 10.436 -5.529 1.00 2.46 N ATOM 0 H ARG A 11 2.011 5.459 -3.819 1.00 0.36 H new ATOM 0 HA ARG A 11 4.228 4.617 -2.385 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.159 5.692 -4.639 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.772 7.223 -3.879 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.961 7.100 -2.641 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.347 5.648 -3.543 1.00 0.52 H new ATOM 0 HD2 ARG A 11 7.359 7.529 -4.677 1.00 0.71 H new ATOM 0 HD3 ARG A 11 6.052 6.926 -5.677 1.00 0.71 H new ATOM 0 HE ARG A 11 5.833 9.337 -3.915 1.00 1.21 H new ATOM 0 HH11 ARG A 11 5.133 7.655 -6.967 1.00 1.92 H new ATOM 0 HH12 ARG A 11 4.100 8.955 -7.571 1.00 1.92 H new ATOM 0 HH21 ARG A 11 4.481 10.956 -4.666 1.00 2.46 H new ATOM 0 HH22 ARG A 11 3.732 10.830 -6.261 1.00 2.46 H new ATOM 177 N ARG A 12 2.880 7.413 -1.282 1.00 0.42 N ATOM 178 CA ARG A 12 2.783 8.335 -0.161 1.00 0.47 C ATOM 179 C ARG A 12 2.541 7.618 1.145 1.00 0.43 C ATOM 180 O ARG A 12 3.214 7.901 2.127 1.00 0.48 O ATOM 181 CB ARG A 12 1.700 9.365 -0.396 1.00 0.60 C ATOM 182 CG ARG A 12 2.051 10.379 -1.448 1.00 1.18 C ATOM 183 CD ARG A 12 0.937 11.383 -1.646 1.00 1.47 C ATOM 184 NE ARG A 12 0.686 12.169 -0.433 1.00 2.25 N ATOM 185 CZ ARG A 12 -0.105 13.247 -0.348 1.00 2.83 C ATOM 186 NH1 ARG A 12 -0.791 13.666 -1.411 1.00 2.60 N ATOM 187 NH2 ARG A 12 -0.196 13.903 0.805 1.00 3.93 N ATOM 0 H ARG A 12 2.222 7.611 -2.036 1.00 0.42 H new ATOM 0 HA ARG A 12 3.744 8.843 -0.089 1.00 0.47 H new ATOM 0 HB2 ARG A 12 0.782 8.855 -0.687 1.00 0.60 H new ATOM 0 HB3 ARG A 12 1.493 9.883 0.541 1.00 0.60 H new ATOM 0 HG2 ARG A 12 2.965 10.900 -1.162 1.00 1.18 H new ATOM 0 HG3 ARG A 12 2.256 9.871 -2.390 1.00 1.18 H new ATOM 0 HD2 ARG A 12 1.194 12.053 -2.466 1.00 1.47 H new ATOM 0 HD3 ARG A 12 0.025 10.861 -1.935 1.00 1.47 H new ATOM 0 HE ARG A 12 1.155 11.868 0.421 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -0.716 13.165 -2.296 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -1.391 14.487 -1.339 1.00 2.60 H new ATOM 0 HH21 ARG A 12 0.334 13.585 1.616 1.00 3.93 H new ATOM 0 HH22 ARG A 12 -0.796 14.725 0.878 1.00 3.93 H new ATOM 201 N ALA A 13 1.639 6.643 1.125 1.00 0.40 N ATOM 202 CA ALA A 13 1.287 5.880 2.313 1.00 0.42 C ATOM 203 C ALA A 13 2.500 5.151 2.844 1.00 0.41 C ATOM 204 O ALA A 13 2.782 5.225 4.031 1.00 0.50 O ATOM 205 CB ALA A 13 0.173 4.899 1.998 1.00 0.45 C ATOM 0 H ALA A 13 1.133 6.361 0.285 1.00 0.40 H new ATOM 0 HA ALA A 13 0.933 6.569 3.080 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.080 4.335 2.896 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.705 5.444 1.653 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.503 4.212 1.219 1.00 0.45 H new ATOM 211 N LEU A 14 3.256 4.510 1.950 1.00 0.38 N ATOM 212 CA LEU A 14 4.467 3.802 2.362 1.00 0.46 C ATOM 213 C LEU A 14 5.535 4.748 2.894 1.00 0.54 C ATOM 214 O LEU A 14 6.320 4.373 3.762 1.00 0.69 O ATOM 215 CB LEU A 14 5.055 2.884 1.270 1.00 0.48 C ATOM 216 CG LEU A 14 4.393 1.505 1.073 1.00 0.54 C ATOM 217 CD1 LEU A 14 3.000 1.607 0.489 1.00 1.21 C ATOM 218 CD2 LEU A 14 5.274 0.604 0.228 1.00 1.44 C ATOM 0 H LEU A 14 3.054 4.467 0.951 1.00 0.38 H new ATOM 0 HA LEU A 14 4.144 3.153 3.176 1.00 0.46 H new ATOM 0 HB2 LEU A 14 5.011 3.418 0.321 1.00 0.48 H new ATOM 0 HB3 LEU A 14 6.109 2.723 1.496 1.00 0.48 H new ATOM 0 HG LEU A 14 4.284 1.059 2.062 1.00 0.54 H new ATOM 0 HD11 LEU A 14 2.581 0.608 0.371 1.00 1.21 H new ATOM 0 HD12 LEU A 14 2.367 2.190 1.158 1.00 1.21 H new ATOM 0 HD13 LEU A 14 3.048 2.097 -0.483 1.00 1.21 H new ATOM 0 HD21 LEU A 14 4.789 -0.364 0.101 1.00 1.44 H new ATOM 0 HD22 LEU A 14 5.432 1.062 -0.749 1.00 1.44 H new ATOM 0 HD23 LEU A 14 6.235 0.466 0.724 1.00 1.44 H new ATOM 230 N VAL A 15 5.574 5.966 2.392 1.00 0.53 N ATOM 231 CA VAL A 15 6.529 6.938 2.902 1.00 0.63 C ATOM 232 C VAL A 15 6.082 7.400 4.293 1.00 0.66 C ATOM 233 O VAL A 15 6.899 7.665 5.165 1.00 0.80 O ATOM 234 CB VAL A 15 6.715 8.168 1.954 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.777 9.130 2.494 1.00 0.76 C ATOM 236 CG2 VAL A 15 7.100 7.719 0.558 1.00 0.71 C ATOM 0 H VAL A 15 4.969 6.305 1.645 1.00 0.53 H new ATOM 0 HA VAL A 15 7.500 6.446 2.959 1.00 0.63 H new ATOM 0 HB VAL A 15 5.760 8.692 1.910 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.883 9.974 1.813 1.00 0.76 H new ATOM 0 HG12 VAL A 15 7.474 9.492 3.476 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.731 8.609 2.578 1.00 0.76 H new ATOM 0 HG21 VAL A 15 7.224 8.591 -0.084 1.00 0.71 H new ATOM 0 HG22 VAL A 15 8.037 7.163 0.600 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.316 7.079 0.153 1.00 0.71 H new ATOM 246 N GLU A 16 4.780 7.489 4.493 1.00 0.62 N ATOM 247 CA GLU A 16 4.226 7.863 5.786 1.00 0.71 C ATOM 248 C GLU A 16 4.513 6.794 6.852 1.00 0.74 C ATOM 249 O GLU A 16 4.873 7.116 7.984 1.00 0.89 O ATOM 250 CB GLU A 16 2.724 8.167 5.689 1.00 0.79 C ATOM 251 CG GLU A 16 2.399 9.306 4.729 1.00 0.87 C ATOM 252 CD GLU A 16 0.935 9.647 4.675 1.00 1.20 C ATOM 253 OE1 GLU A 16 0.414 10.206 5.648 1.00 1.38 O ATOM 254 OE2 GLU A 16 0.261 9.337 3.665 1.00 2.05 O ATOM 0 H GLU A 16 4.081 7.307 3.773 1.00 0.62 H new ATOM 0 HA GLU A 16 4.725 8.780 6.099 1.00 0.71 H new ATOM 0 HB2 GLU A 16 2.199 7.268 5.366 1.00 0.79 H new ATOM 0 HB3 GLU A 16 2.347 8.418 6.680 1.00 0.79 H new ATOM 0 HG2 GLU A 16 2.959 10.192 5.027 1.00 0.87 H new ATOM 0 HG3 GLU A 16 2.738 9.035 3.729 1.00 0.87 H new ATOM 261 N SER A 17 4.370 5.537 6.480 1.00 0.68 N ATOM 262 CA SER A 17 4.565 4.439 7.394 1.00 0.77 C ATOM 263 C SER A 17 6.035 4.115 7.669 1.00 0.89 C ATOM 264 O SER A 17 6.408 3.844 8.816 1.00 1.15 O ATOM 265 CB SER A 17 3.802 3.227 6.893 1.00 0.73 C ATOM 266 OG SER A 17 3.969 3.106 5.503 1.00 1.39 O ATOM 0 H SER A 17 4.115 5.253 5.534 1.00 0.68 H new ATOM 0 HA SER A 17 4.167 4.746 8.361 1.00 0.77 H new ATOM 0 HB2 SER A 17 4.161 2.327 7.392 1.00 0.73 H new ATOM 0 HB3 SER A 17 2.744 3.325 7.135 1.00 0.73 H new ATOM 0 HG SER A 17 4.745 2.538 5.315 1.00 1.39 H new ATOM 400 N ASP A 29 6.899 5.143 -9.687 1.00 0.70 N ATOM 401 CA ASP A 29 6.129 3.928 -9.806 1.00 0.64 C ATOM 402 C ASP A 29 6.894 2.821 -9.154 1.00 0.55 C ATOM 403 O ASP A 29 8.068 2.602 -9.473 1.00 0.74 O ATOM 404 CB ASP A 29 5.891 3.578 -11.287 1.00 0.80 C ATOM 405 CG ASP A 29 5.113 4.632 -12.050 1.00 1.29 C ATOM 406 OD1 ASP A 29 5.676 5.701 -12.364 1.00 2.07 O ATOM 407 OD2 ASP A 29 3.931 4.406 -12.361 1.00 1.68 O ATOM 0 HA ASP A 29 5.161 4.065 -9.324 1.00 0.64 H new ATOM 0 HB2 ASP A 29 6.855 3.428 -11.774 1.00 0.80 H new ATOM 0 HB3 ASP A 29 5.354 2.631 -11.345 1.00 0.80 H new ATOM 412 N PHE A 30 6.275 2.130 -8.239 1.00 0.39 N ATOM 413 CA PHE A 30 6.977 1.083 -7.535 1.00 0.34 C ATOM 414 C PHE A 30 6.193 -0.224 -7.559 1.00 0.31 C ATOM 415 O PHE A 30 6.536 -1.157 -6.868 1.00 0.31 O ATOM 416 CB PHE A 30 7.283 1.515 -6.083 1.00 0.35 C ATOM 417 CG PHE A 30 6.082 1.590 -5.163 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.163 2.618 -5.310 1.00 0.39 C ATOM 419 CD2 PHE A 30 5.871 0.650 -4.169 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.061 2.713 -4.493 1.00 0.44 C ATOM 421 CE2 PHE A 30 4.768 0.741 -3.342 1.00 0.38 C ATOM 422 CZ PHE A 30 3.900 1.685 -3.449 1.00 0.42 C ATOM 0 H PHE A 30 5.302 2.265 -7.963 1.00 0.39 H new ATOM 0 HA PHE A 30 7.922 0.910 -8.049 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.003 0.816 -5.657 1.00 0.35 H new ATOM 0 HB3 PHE A 30 7.764 2.493 -6.106 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.316 3.358 -6.081 1.00 0.39 H new ATOM 0 HD2 PHE A 30 6.573 -0.160 -4.039 1.00 0.34 H new ATOM 0 HE1 PHE A 30 3.342 3.510 -4.612 1.00 0.44 H new ATOM 0 HE2 PHE A 30 4.629 -0.008 -2.577 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.056 1.724 -2.776 1.00 0.42 H new ATOM 432 N LEU A 31 5.157 -0.281 -8.392 1.00 0.31 N ATOM 433 CA LEU A 31 4.258 -1.447 -8.488 1.00 0.31 C ATOM 434 C LEU A 31 4.969 -2.790 -8.723 1.00 0.31 C ATOM 435 O LEU A 31 4.447 -3.841 -8.336 1.00 0.35 O ATOM 436 CB LEU A 31 3.158 -1.253 -9.528 1.00 0.33 C ATOM 437 CG LEU A 31 2.184 -0.097 -9.302 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.065 -0.182 -10.308 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.624 -0.110 -7.886 1.00 0.32 C ATOM 0 H LEU A 31 4.909 0.479 -9.025 1.00 0.31 H new ATOM 0 HA LEU A 31 3.806 -1.504 -7.498 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.632 -1.112 -10.499 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.581 -2.176 -9.586 1.00 0.33 H new ATOM 0 HG LEU A 31 2.724 0.841 -9.433 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.369 0.642 -10.149 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.476 -0.120 -11.316 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.539 -1.129 -10.188 1.00 0.39 H new ATOM 0 HD21 LEU A 31 0.935 0.725 -7.759 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.094 -1.047 -7.713 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.441 -0.018 -7.171 1.00 0.32 H new ATOM 451 N ASP A 32 6.117 -2.762 -9.380 1.00 0.31 N ATOM 452 CA ASP A 32 6.869 -4.002 -9.636 1.00 0.37 C ATOM 453 C ASP A 32 8.001 -4.200 -8.626 1.00 0.37 C ATOM 454 O ASP A 32 8.671 -5.237 -8.618 1.00 0.45 O ATOM 455 CB ASP A 32 7.417 -4.073 -11.077 1.00 0.48 C ATOM 456 CG ASP A 32 8.520 -3.086 -11.387 1.00 1.29 C ATOM 457 OD1 ASP A 32 8.211 -1.949 -11.823 1.00 2.04 O ATOM 458 OD2 ASP A 32 9.709 -3.441 -11.246 1.00 1.83 O ATOM 0 H ASP A 32 6.552 -1.914 -9.745 1.00 0.31 H new ATOM 0 HA ASP A 32 6.155 -4.817 -9.514 1.00 0.37 H new ATOM 0 HB2 ASP A 32 7.789 -5.081 -11.260 1.00 0.48 H new ATOM 0 HB3 ASP A 32 6.594 -3.906 -11.772 1.00 0.48 H new ATOM 463 N LEU A 33 8.216 -3.221 -7.790 1.00 0.35 N ATOM 464 CA LEU A 33 9.240 -3.300 -6.765 1.00 0.37 C ATOM 465 C LEU A 33 8.690 -4.059 -5.587 1.00 0.34 C ATOM 466 O LEU A 33 7.649 -3.707 -5.051 1.00 0.40 O ATOM 467 CB LEU A 33 9.762 -1.905 -6.355 1.00 0.41 C ATOM 468 CG LEU A 33 10.738 -1.194 -7.331 1.00 0.51 C ATOM 469 CD1 LEU A 33 10.140 -0.971 -8.712 1.00 1.37 C ATOM 470 CD2 LEU A 33 11.198 0.119 -6.746 1.00 1.27 C ATOM 0 H LEU A 33 7.692 -2.346 -7.794 1.00 0.35 H new ATOM 0 HA LEU A 33 10.102 -3.833 -7.166 1.00 0.37 H new ATOM 0 HB2 LEU A 33 8.901 -1.254 -6.205 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.260 -2.002 -5.390 1.00 0.41 H new ATOM 0 HG LEU A 33 11.592 -1.859 -7.460 1.00 0.51 H new ATOM 0 HD11 LEU A 33 10.870 -0.470 -9.348 1.00 1.37 H new ATOM 0 HD12 LEU A 33 9.873 -1.932 -9.152 1.00 1.37 H new ATOM 0 HD13 LEU A 33 9.248 -0.351 -8.626 1.00 1.37 H new ATOM 0 HD21 LEU A 33 11.882 0.607 -7.440 1.00 1.27 H new ATOM 0 HD22 LEU A 33 10.335 0.763 -6.574 1.00 1.27 H new ATOM 0 HD23 LEU A 33 11.710 -0.063 -5.801 1.00 1.27 H new ATOM 482 N ARG A 34 9.371 -5.099 -5.197 1.00 0.33 N ATOM 483 CA ARG A 34 8.870 -5.975 -4.162 1.00 0.34 C ATOM 484 C ARG A 34 9.029 -5.342 -2.797 1.00 0.29 C ATOM 485 O ARG A 34 10.036 -4.674 -2.529 1.00 0.34 O ATOM 486 CB ARG A 34 9.591 -7.307 -4.204 1.00 0.47 C ATOM 487 CG ARG A 34 9.457 -8.053 -5.523 1.00 0.61 C ATOM 488 CD ARG A 34 10.116 -9.411 -5.427 1.00 1.10 C ATOM 489 NE ARG A 34 9.503 -10.191 -4.364 1.00 1.91 N ATOM 490 CZ ARG A 34 10.130 -10.682 -3.293 1.00 3.03 C ATOM 491 NH1 ARG A 34 11.465 -10.686 -3.219 1.00 3.63 N ATOM 492 NH2 ARG A 34 9.414 -11.192 -2.315 1.00 3.94 N ATOM 0 H ARG A 34 10.278 -5.366 -5.578 1.00 0.33 H new ATOM 0 HA ARG A 34 7.808 -6.141 -4.343 1.00 0.34 H new ATOM 0 HB2 ARG A 34 10.649 -7.140 -4.001 1.00 0.47 H new ATOM 0 HB3 ARG A 34 9.208 -7.939 -3.403 1.00 0.47 H new ATOM 0 HG2 ARG A 34 8.404 -8.170 -5.777 1.00 0.61 H new ATOM 0 HG3 ARG A 34 9.916 -7.474 -6.324 1.00 0.61 H new ATOM 0 HD2 ARG A 34 10.020 -9.938 -6.376 1.00 1.10 H new ATOM 0 HD3 ARG A 34 11.182 -9.293 -5.234 1.00 1.10 H new ATOM 0 HE ARG A 34 8.504 -10.380 -4.444 1.00 1.91 H new ATOM 0 HH11 ARG A 34 12.020 -10.310 -3.988 1.00 3.63 H new ATOM 0 HH12 ARG A 34 11.929 -11.065 -2.393 1.00 3.63 H new ATOM 0 HH21 ARG A 34 8.396 -11.208 -2.383 1.00 3.94 H new ATOM 0 HH22 ARG A 34 9.876 -11.572 -1.489 1.00 3.94 H new ATOM 506 N PHE A 35 8.064 -5.573 -1.925 1.00 0.25 N ATOM 507 CA PHE A 35 8.074 -4.974 -0.602 1.00 0.24 C ATOM 508 C PHE A 35 9.265 -5.461 0.208 1.00 0.27 C ATOM 509 O PHE A 35 9.952 -4.659 0.841 1.00 0.29 O ATOM 510 CB PHE A 35 6.780 -5.238 0.170 1.00 0.26 C ATOM 511 CG PHE A 35 5.530 -4.778 -0.511 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.203 -3.433 -0.564 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.665 -5.691 -1.063 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.033 -3.021 -1.168 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.504 -5.288 -1.667 1.00 0.32 C ATOM 516 CZ PHE A 35 3.183 -3.959 -1.717 1.00 0.35 C ATOM 0 H PHE A 35 7.260 -6.173 -2.110 1.00 0.25 H new ATOM 0 HA PHE A 35 8.157 -3.898 -0.752 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.700 -6.309 0.359 1.00 0.26 H new ATOM 0 HB3 PHE A 35 6.848 -4.747 1.141 1.00 0.26 H new ATOM 0 HD1 PHE A 35 5.869 -2.702 -0.130 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.904 -6.743 -1.020 1.00 0.27 H new ATOM 0 HE1 PHE A 35 3.784 -1.971 -1.211 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.841 -6.020 -2.104 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.263 -3.644 -2.187 1.00 0.35 H new ATOM 526 N GLU A 36 9.540 -6.767 0.163 1.00 0.37 N ATOM 527 CA GLU A 36 10.687 -7.332 0.890 1.00 0.47 C ATOM 528 C GLU A 36 12.005 -6.682 0.463 1.00 0.46 C ATOM 529 O GLU A 36 12.957 -6.616 1.233 1.00 0.51 O ATOM 530 CB GLU A 36 10.802 -8.848 0.719 1.00 0.64 C ATOM 531 CG GLU A 36 9.614 -9.647 1.212 1.00 1.56 C ATOM 532 CD GLU A 36 9.907 -11.130 1.239 1.00 2.12 C ATOM 533 OE1 GLU A 36 10.131 -11.733 0.167 1.00 2.79 O ATOM 534 OE2 GLU A 36 9.919 -11.720 2.331 1.00 2.45 O ATOM 0 H GLU A 36 8.993 -7.449 -0.362 1.00 0.37 H new ATOM 0 HA GLU A 36 10.501 -7.116 1.942 1.00 0.47 H new ATOM 0 HB2 GLU A 36 10.953 -9.067 -0.338 1.00 0.64 H new ATOM 0 HB3 GLU A 36 11.693 -9.190 1.246 1.00 0.64 H new ATOM 0 HG2 GLU A 36 9.341 -9.312 2.213 1.00 1.56 H new ATOM 0 HG3 GLU A 36 8.756 -9.458 0.567 1.00 1.56 H new ATOM 541 N ASP A 37 12.037 -6.180 -0.751 1.00 0.44 N ATOM 542 CA ASP A 37 13.247 -5.610 -1.309 1.00 0.50 C ATOM 543 C ASP A 37 13.415 -4.165 -0.864 1.00 0.48 C ATOM 544 O ASP A 37 14.532 -3.690 -0.660 1.00 0.60 O ATOM 545 CB ASP A 37 13.201 -5.673 -2.828 1.00 0.57 C ATOM 546 CG ASP A 37 14.518 -5.306 -3.468 1.00 0.68 C ATOM 547 OD1 ASP A 37 14.808 -4.120 -3.643 1.00 0.88 O ATOM 548 OD2 ASP A 37 15.270 -6.226 -3.832 1.00 0.74 O ATOM 0 H ASP A 37 11.232 -6.154 -1.377 1.00 0.44 H new ATOM 0 HA ASP A 37 14.096 -6.190 -0.948 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.920 -6.680 -3.137 1.00 0.57 H new ATOM 0 HB3 ASP A 37 12.425 -4.999 -3.192 1.00 0.57 H new ATOM 553 N ILE A 38 12.306 -3.489 -0.641 1.00 0.40 N ATOM 554 CA ILE A 38 12.342 -2.074 -0.281 1.00 0.42 C ATOM 555 C ILE A 38 12.361 -1.867 1.235 1.00 0.42 C ATOM 556 O ILE A 38 12.138 -0.762 1.729 1.00 0.50 O ATOM 557 CB ILE A 38 11.177 -1.252 -0.920 1.00 0.47 C ATOM 558 CG1 ILE A 38 9.808 -1.782 -0.451 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.277 -1.281 -2.445 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.616 -1.018 -0.989 1.00 0.60 C ATOM 0 H ILE A 38 11.369 -3.889 -0.701 1.00 0.40 H new ATOM 0 HA ILE A 38 13.277 -1.695 -0.694 1.00 0.42 H new ATOM 0 HB ILE A 38 11.267 -0.217 -0.589 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.717 -2.827 -0.748 1.00 0.47 H new ATOM 0 HG13 ILE A 38 9.777 -1.756 0.638 1.00 0.47 H new ATOM 0 HG21 ILE A 38 10.458 -0.704 -2.874 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.228 -0.848 -2.756 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.216 -2.312 -2.794 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.697 -1.462 -0.606 1.00 0.60 H new ATOM 0 HD12 ILE A 38 8.677 0.023 -0.670 1.00 0.60 H new ATOM 0 HD13 ILE A 38 8.615 -1.064 -2.078 1.00 0.60 H new ATOM 572 N GLY A 39 12.731 -2.908 1.957 1.00 0.42 N ATOM 573 CA GLY A 39 12.789 -2.832 3.404 1.00 0.50 C ATOM 574 C GLY A 39 11.412 -2.850 4.028 1.00 0.47 C ATOM 575 O GLY A 39 11.156 -2.186 5.038 1.00 0.66 O ATOM 0 H GLY A 39 12.995 -3.813 1.567 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.372 -3.669 3.788 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.309 -1.920 3.699 1.00 0.50 H new ATOM 579 N TYR A 40 10.514 -3.575 3.419 1.00 0.36 N ATOM 580 CA TYR A 40 9.181 -3.691 3.921 1.00 0.36 C ATOM 581 C TYR A 40 8.851 -5.092 4.327 1.00 0.42 C ATOM 582 O TYR A 40 8.919 -6.024 3.529 1.00 0.59 O ATOM 583 CB TYR A 40 8.150 -3.163 2.927 1.00 0.36 C ATOM 584 CG TYR A 40 7.602 -1.831 3.314 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.373 -0.685 3.227 1.00 0.70 C ATOM 586 CD2 TYR A 40 6.317 -1.725 3.809 1.00 0.64 C ATOM 587 CE1 TYR A 40 7.873 0.530 3.620 1.00 0.95 C ATOM 588 CE2 TYR A 40 5.813 -0.518 4.213 1.00 0.90 C ATOM 589 CZ TYR A 40 6.590 0.605 4.116 1.00 1.04 C ATOM 590 OH TYR A 40 6.095 1.797 4.550 1.00 1.33 O ATOM 0 H TYR A 40 10.690 -4.100 2.562 1.00 0.36 H new ATOM 0 HA TYR A 40 9.136 -3.068 4.814 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.608 -3.090 1.941 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.331 -3.878 2.846 1.00 0.36 H new ATOM 0 HD1 TYR A 40 9.381 -0.748 2.845 1.00 0.70 H new ATOM 0 HD2 TYR A 40 5.700 -2.609 3.878 1.00 0.64 H new ATOM 0 HE1 TYR A 40 8.480 1.420 3.541 1.00 0.95 H new ATOM 0 HE2 TYR A 40 4.809 -0.452 4.606 1.00 0.90 H new ATOM 0 HH TYR A 40 6.426 2.518 3.974 1.00 1.33 H new ATOM 600 N ASP A 41 8.554 -5.245 5.579 1.00 0.42 N ATOM 601 CA ASP A 41 8.063 -6.496 6.107 1.00 0.51 C ATOM 602 C ASP A 41 6.588 -6.503 5.905 1.00 0.44 C ATOM 603 O ASP A 41 5.976 -5.430 5.879 1.00 0.38 O ATOM 604 CB ASP A 41 8.298 -6.601 7.606 1.00 0.67 C ATOM 605 CG ASP A 41 9.739 -6.585 8.019 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.289 -5.489 8.206 1.00 0.99 O ATOM 607 OD2 ASP A 41 10.363 -7.658 8.095 1.00 1.06 O ATOM 0 H ASP A 41 8.643 -4.505 6.275 1.00 0.42 H new ATOM 0 HA ASP A 41 8.577 -7.316 5.606 1.00 0.51 H new ATOM 0 HB2 ASP A 41 7.784 -5.776 8.099 1.00 0.67 H new ATOM 0 HB3 ASP A 41 7.841 -7.522 7.968 1.00 0.67 H new ATOM 612 N SER A 42 6.011 -7.660 5.753 1.00 0.51 N ATOM 613 CA SER A 42 4.573 -7.795 5.631 1.00 0.48 C ATOM 614 C SER A 42 3.820 -7.146 6.813 1.00 0.41 C ATOM 615 O SER A 42 2.739 -6.614 6.643 1.00 0.37 O ATOM 616 CB SER A 42 4.196 -9.242 5.422 1.00 0.59 C ATOM 617 OG SER A 42 4.771 -10.064 6.423 1.00 1.03 O ATOM 0 H SER A 42 6.518 -8.544 5.709 1.00 0.51 H new ATOM 0 HA SER A 42 4.256 -7.242 4.747 1.00 0.48 H new ATOM 0 HB2 SER A 42 3.111 -9.346 5.440 1.00 0.59 H new ATOM 0 HB3 SER A 42 4.532 -9.571 4.439 1.00 0.59 H new ATOM 0 HG SER A 42 4.512 -10.997 6.269 1.00 1.03 H new ATOM 623 N LEU A 43 4.433 -7.170 7.998 1.00 0.45 N ATOM 624 CA LEU A 43 3.869 -6.534 9.189 1.00 0.46 C ATOM 625 C LEU A 43 3.795 -5.022 8.949 1.00 0.41 C ATOM 626 O LEU A 43 2.739 -4.404 9.122 1.00 0.41 O ATOM 627 CB LEU A 43 4.766 -6.876 10.410 1.00 0.59 C ATOM 628 CG LEU A 43 4.276 -6.519 11.837 1.00 0.75 C ATOM 629 CD1 LEU A 43 5.172 -7.196 12.844 1.00 1.56 C ATOM 630 CD2 LEU A 43 4.291 -5.014 12.101 1.00 1.24 C ATOM 0 H LEU A 43 5.330 -7.629 8.158 1.00 0.45 H new ATOM 0 HA LEU A 43 2.862 -6.899 9.392 1.00 0.46 H new ATOM 0 HB2 LEU A 43 4.954 -7.949 10.388 1.00 0.59 H new ATOM 0 HB3 LEU A 43 5.726 -6.381 10.260 1.00 0.59 H new ATOM 0 HG LEU A 43 3.245 -6.862 11.927 1.00 0.75 H new ATOM 0 HD11 LEU A 43 4.836 -6.952 13.852 1.00 1.56 H new ATOM 0 HD12 LEU A 43 5.131 -8.276 12.700 1.00 1.56 H new ATOM 0 HD13 LEU A 43 6.197 -6.851 12.709 1.00 1.56 H new ATOM 0 HD21 LEU A 43 3.939 -4.819 13.114 1.00 1.24 H new ATOM 0 HD22 LEU A 43 5.307 -4.635 11.991 1.00 1.24 H new ATOM 0 HD23 LEU A 43 3.638 -4.513 11.387 1.00 1.24 H new ATOM 642 N ALA A 44 4.910 -4.449 8.506 1.00 0.39 N ATOM 643 CA ALA A 44 4.985 -3.022 8.196 1.00 0.39 C ATOM 644 C ALA A 44 4.007 -2.685 7.076 1.00 0.34 C ATOM 645 O ALA A 44 3.335 -1.658 7.105 1.00 0.40 O ATOM 646 CB ALA A 44 6.405 -2.634 7.803 1.00 0.43 C ATOM 0 H ALA A 44 5.782 -4.955 8.352 1.00 0.39 H new ATOM 0 HA ALA A 44 4.713 -2.453 9.085 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.441 -1.569 7.576 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.083 -2.853 8.628 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.708 -3.203 6.924 1.00 0.43 H new ATOM 652 N LEU A 45 3.912 -3.588 6.119 1.00 0.29 N ATOM 653 CA LEU A 45 2.994 -3.474 5.003 1.00 0.28 C ATOM 654 C LEU A 45 1.548 -3.451 5.504 1.00 0.25 C ATOM 655 O LEU A 45 0.753 -2.599 5.094 1.00 0.26 O ATOM 656 CB LEU A 45 3.220 -4.645 4.042 1.00 0.30 C ATOM 657 CG LEU A 45 2.285 -4.750 2.842 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.368 -3.505 1.983 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.633 -5.981 2.030 1.00 0.38 C ATOM 0 H LEU A 45 4.480 -4.435 6.095 1.00 0.29 H new ATOM 0 HA LEU A 45 3.179 -2.540 4.473 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.243 -4.584 3.670 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.143 -5.570 4.613 1.00 0.30 H new ATOM 0 HG LEU A 45 1.260 -4.839 3.203 1.00 0.33 H new ATOM 0 HD11 LEU A 45 1.692 -3.603 1.133 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.083 -2.635 2.575 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.389 -3.379 1.622 1.00 0.43 H new ATOM 0 HD21 LEU A 45 1.963 -6.053 1.173 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.663 -5.907 1.680 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.524 -6.870 2.652 1.00 0.38 H new ATOM 671 N MET A 46 1.222 -4.363 6.409 1.00 0.24 N ATOM 672 CA MET A 46 -0.102 -4.401 7.006 1.00 0.23 C ATOM 673 C MET A 46 -0.390 -3.133 7.788 1.00 0.25 C ATOM 674 O MET A 46 -1.488 -2.655 7.754 1.00 0.27 O ATOM 675 CB MET A 46 -0.342 -5.646 7.871 1.00 0.27 C ATOM 676 CG MET A 46 -0.346 -6.959 7.097 1.00 0.34 C ATOM 677 SD MET A 46 -0.700 -8.404 8.131 1.00 0.50 S ATOM 678 CE MET A 46 0.703 -8.389 9.252 1.00 1.49 C ATOM 0 H MET A 46 1.858 -5.086 6.745 1.00 0.24 H new ATOM 0 HA MET A 46 -0.805 -4.464 6.175 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.429 -5.694 8.640 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.297 -5.538 8.385 1.00 0.27 H new ATOM 0 HG2 MET A 46 -1.088 -6.901 6.301 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.624 -7.093 6.619 1.00 0.34 H new ATOM 0 HE1 MET A 46 0.612 -9.213 9.960 1.00 1.49 H new ATOM 0 HE2 MET A 46 1.625 -8.500 8.682 1.00 1.49 H new ATOM 0 HE3 MET A 46 0.724 -7.445 9.796 1.00 1.49 H new ATOM 688 N GLU A 47 0.617 -2.581 8.475 1.00 0.29 N ATOM 689 CA GLU A 47 0.446 -1.304 9.200 1.00 0.34 C ATOM 690 C GLU A 47 0.145 -0.168 8.213 1.00 0.32 C ATOM 691 O GLU A 47 -0.634 0.734 8.493 1.00 0.36 O ATOM 692 CB GLU A 47 1.694 -0.938 10.003 1.00 0.45 C ATOM 693 CG GLU A 47 1.530 0.359 10.791 1.00 0.58 C ATOM 694 CD GLU A 47 2.808 0.854 11.390 1.00 1.03 C ATOM 695 OE1 GLU A 47 3.259 0.281 12.412 1.00 1.25 O ATOM 696 OE2 GLU A 47 3.395 1.804 10.849 1.00 1.88 O ATOM 0 H GLU A 47 1.550 -2.988 8.548 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.388 -1.435 9.889 1.00 0.34 H new ATOM 0 HB2 GLU A 47 1.928 -1.749 10.692 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.542 -0.841 9.325 1.00 0.45 H new ATOM 0 HG2 GLU A 47 1.124 1.127 10.133 1.00 0.58 H new ATOM 0 HG3 GLU A 47 0.801 0.203 11.586 1.00 0.58 H new ATOM 703 N THR A 48 0.753 -0.253 7.067 1.00 0.30 N ATOM 704 CA THR A 48 0.607 0.733 6.013 1.00 0.33 C ATOM 705 C THR A 48 -0.833 0.676 5.541 1.00 0.29 C ATOM 706 O THR A 48 -1.551 1.683 5.521 1.00 0.33 O ATOM 707 CB THR A 48 1.566 0.403 4.847 1.00 0.36 C ATOM 708 OG1 THR A 48 2.913 0.321 5.343 1.00 0.42 O ATOM 709 CG2 THR A 48 1.494 1.473 3.770 1.00 0.45 C ATOM 0 H THR A 48 1.379 -1.021 6.824 1.00 0.30 H new ATOM 0 HA THR A 48 0.852 1.731 6.377 1.00 0.33 H new ATOM 0 HB THR A 48 1.268 -0.552 4.413 1.00 0.36 H new ATOM 0 HG1 THR A 48 3.003 -0.469 5.916 1.00 0.42 H new ATOM 0 HG21 THR A 48 2.177 1.220 2.959 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.477 1.531 3.382 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.776 2.436 4.195 1.00 0.45 H new ATOM 717 N ALA A 49 -1.242 -0.532 5.195 1.00 0.25 N ATOM 718 CA ALA A 49 -2.597 -0.836 4.810 1.00 0.24 C ATOM 719 C ALA A 49 -3.564 -0.429 5.927 1.00 0.22 C ATOM 720 O ALA A 49 -4.634 0.070 5.666 1.00 0.23 O ATOM 721 CB ALA A 49 -2.707 -2.325 4.518 1.00 0.27 C ATOM 0 H ALA A 49 -0.623 -1.342 5.176 1.00 0.25 H new ATOM 0 HA ALA A 49 -2.861 -0.276 3.913 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.730 -2.564 4.226 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.027 -2.588 3.708 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.443 -2.891 5.411 1.00 0.27 H new ATOM 727 N ALA A 50 -3.149 -0.651 7.164 1.00 0.23 N ATOM 728 CA ALA A 50 -3.903 -0.301 8.341 1.00 0.26 C ATOM 729 C ALA A 50 -4.204 1.191 8.405 1.00 0.28 C ATOM 730 O ALA A 50 -5.332 1.600 8.688 1.00 0.30 O ATOM 731 CB ALA A 50 -3.192 -0.751 9.595 1.00 0.33 C ATOM 0 H ALA A 50 -2.254 -1.092 7.375 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.856 -0.826 8.275 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.783 -0.474 10.468 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -3.064 -1.833 9.572 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.215 -0.271 9.651 1.00 0.33 H new ATOM 737 N ARG A 51 -3.184 1.995 8.121 1.00 0.31 N ATOM 738 CA ARG A 51 -3.316 3.449 8.099 1.00 0.37 C ATOM 739 C ARG A 51 -4.307 3.832 7.012 1.00 0.36 C ATOM 740 O ARG A 51 -5.128 4.729 7.180 1.00 0.40 O ATOM 741 CB ARG A 51 -1.958 4.113 7.812 1.00 0.45 C ATOM 742 CG ARG A 51 -0.865 3.775 8.813 1.00 0.54 C ATOM 743 CD ARG A 51 0.451 4.443 8.446 1.00 0.70 C ATOM 744 NE ARG A 51 1.541 4.093 9.386 1.00 1.59 N ATOM 745 CZ ARG A 51 2.441 4.969 9.878 1.00 1.76 C ATOM 746 NH1 ARG A 51 2.242 6.279 9.730 1.00 1.27 N ATOM 747 NH2 ARG A 51 3.483 4.524 10.585 1.00 2.84 N ATOM 0 H ARG A 51 -2.246 1.660 7.900 1.00 0.31 H new ATOM 0 HA ARG A 51 -3.668 3.792 9.072 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.626 3.816 6.817 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.094 5.194 7.793 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.171 4.094 9.809 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -0.727 2.694 8.852 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.736 4.148 7.436 1.00 0.70 H new ATOM 0 HD3 ARG A 51 0.316 5.525 8.436 1.00 0.70 H new ATOM 0 HE ARG A 51 1.616 3.120 9.682 1.00 1.59 H new ATOM 0 HH11 ARG A 51 1.410 6.617 9.246 1.00 1.27 H new ATOM 0 HH12 ARG A 51 2.921 6.943 10.101 1.00 1.27 H new ATOM 0 HH21 ARG A 51 3.597 3.524 10.752 1.00 2.84 H new ATOM 0 HH22 ARG A 51 4.165 5.184 10.958 1.00 2.84 H new ATOM 761 N LEU A 52 -4.228 3.116 5.907 1.00 0.32 N ATOM 762 CA LEU A 52 -5.114 3.293 4.789 1.00 0.34 C ATOM 763 C LEU A 52 -6.548 2.911 5.154 1.00 0.33 C ATOM 764 O LEU A 52 -7.491 3.619 4.775 1.00 0.37 O ATOM 765 CB LEU A 52 -4.597 2.503 3.593 1.00 0.35 C ATOM 766 CG LEU A 52 -3.257 2.989 3.033 1.00 0.43 C ATOM 767 CD1 LEU A 52 -2.748 2.053 1.959 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.398 4.401 2.482 1.00 0.69 C ATOM 0 H LEU A 52 -3.532 2.384 5.766 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.135 4.348 4.515 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.496 1.457 3.883 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.343 2.543 2.799 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.531 2.999 3.846 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -1.795 2.421 1.578 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.611 1.057 2.380 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.471 2.006 1.145 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.439 4.735 2.087 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -4.141 4.408 1.685 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -3.716 5.073 3.280 1.00 0.69 H new ATOM 780 N GLU A 53 -6.708 1.807 5.909 1.00 0.29 N ATOM 781 CA GLU A 53 -8.021 1.381 6.402 1.00 0.32 C ATOM 782 C GLU A 53 -8.646 2.511 7.179 1.00 0.35 C ATOM 783 O GLU A 53 -9.754 2.963 6.877 1.00 0.42 O ATOM 784 CB GLU A 53 -7.947 0.182 7.371 1.00 0.32 C ATOM 785 CG GLU A 53 -7.426 -1.131 6.838 1.00 0.34 C ATOM 786 CD GLU A 53 -7.610 -2.228 7.875 1.00 0.40 C ATOM 787 OE1 GLU A 53 -6.897 -2.223 8.906 1.00 0.46 O ATOM 788 OE2 GLU A 53 -8.405 -3.168 7.643 1.00 0.48 O ATOM 0 H GLU A 53 -5.940 1.197 6.188 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.597 1.094 5.523 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.320 0.472 8.214 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.949 0.009 7.764 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -7.953 -1.395 5.921 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.371 -1.035 6.582 1.00 0.34 H new ATOM 795 N SER A 54 -7.906 2.971 8.165 1.00 0.35 N ATOM 796 CA SER A 54 -8.351 4.010 9.057 1.00 0.41 C ATOM 797 C SER A 54 -8.619 5.340 8.324 1.00 0.45 C ATOM 798 O SER A 54 -9.700 5.916 8.447 1.00 0.55 O ATOM 799 CB SER A 54 -7.313 4.186 10.161 1.00 0.47 C ATOM 800 OG SER A 54 -7.065 2.938 10.807 1.00 1.19 O ATOM 0 H SER A 54 -6.968 2.627 8.369 1.00 0.35 H new ATOM 0 HA SER A 54 -9.305 3.710 9.491 1.00 0.41 H new ATOM 0 HB2 SER A 54 -6.386 4.577 9.740 1.00 0.47 H new ATOM 0 HB3 SER A 54 -7.666 4.917 10.889 1.00 0.47 H new ATOM 0 HG SER A 54 -6.452 2.403 10.261 1.00 1.19 H new ATOM 806 N ARG A 55 -7.655 5.800 7.537 1.00 0.44 N ATOM 807 CA ARG A 55 -7.765 7.089 6.863 1.00 0.54 C ATOM 808 C ARG A 55 -8.885 7.124 5.811 1.00 0.56 C ATOM 809 O ARG A 55 -9.599 8.123 5.684 1.00 0.68 O ATOM 810 CB ARG A 55 -6.400 7.540 6.272 1.00 0.63 C ATOM 811 CG ARG A 55 -6.427 8.930 5.643 1.00 0.83 C ATOM 812 CD ARG A 55 -5.027 9.504 5.395 1.00 1.08 C ATOM 813 NE ARG A 55 -4.242 8.849 4.323 1.00 1.65 N ATOM 814 CZ ARG A 55 -2.886 8.906 4.270 1.00 2.21 C ATOM 815 NH1 ARG A 55 -2.192 9.164 5.372 1.00 2.35 N ATOM 816 NH2 ARG A 55 -2.225 8.624 3.149 1.00 3.07 N ATOM 0 H ARG A 55 -6.786 5.299 7.349 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.050 7.812 7.627 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -5.650 7.524 7.063 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -6.085 6.817 5.519 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -6.967 8.884 4.697 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -6.981 9.606 6.294 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -5.127 10.562 5.152 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -4.460 9.442 6.324 1.00 1.08 H new ATOM 0 HE ARG A 55 -4.739 8.335 3.596 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -2.677 9.319 6.256 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -1.174 9.207 5.335 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -2.737 8.359 2.308 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -1.206 8.673 3.132 1.00 3.07 H new ATOM 830 N TYR A 56 -9.067 6.043 5.092 1.00 0.50 N ATOM 831 CA TYR A 56 -10.046 6.029 4.014 1.00 0.57 C ATOM 832 C TYR A 56 -11.370 5.363 4.382 1.00 0.61 C ATOM 833 O TYR A 56 -12.266 5.262 3.541 1.00 0.74 O ATOM 834 CB TYR A 56 -9.442 5.450 2.733 1.00 0.62 C ATOM 835 CG TYR A 56 -8.345 6.324 2.156 1.00 0.67 C ATOM 836 CD1 TYR A 56 -7.036 6.234 2.613 1.00 0.74 C ATOM 837 CD2 TYR A 56 -8.629 7.260 1.170 1.00 0.75 C ATOM 838 CE1 TYR A 56 -6.048 7.048 2.106 1.00 0.85 C ATOM 839 CE2 TYR A 56 -7.644 8.080 0.660 1.00 0.85 C ATOM 840 CZ TYR A 56 -6.357 7.968 1.131 1.00 0.91 C ATOM 841 OH TYR A 56 -5.372 8.786 0.629 1.00 1.01 O ATOM 0 H TYR A 56 -8.561 5.168 5.225 1.00 0.50 H new ATOM 0 HA TYR A 56 -10.305 7.071 3.828 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.039 4.459 2.942 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -10.229 5.324 1.990 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -6.789 5.513 3.379 1.00 0.74 H new ATOM 0 HD2 TYR A 56 -9.638 7.347 0.796 1.00 0.75 H new ATOM 0 HE1 TYR A 56 -5.035 6.965 2.472 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -7.882 8.805 -0.104 1.00 0.85 H new ATOM 0 HH TYR A 56 -5.754 9.378 -0.053 1.00 1.01 H new ATOM 851 N GLY A 57 -11.505 4.950 5.633 1.00 0.58 N ATOM 852 CA GLY A 57 -12.745 4.332 6.090 1.00 0.66 C ATOM 853 C GLY A 57 -13.033 3.049 5.343 1.00 0.71 C ATOM 854 O GLY A 57 -14.116 2.867 4.781 1.00 0.93 O ATOM 0 H GLY A 57 -10.780 5.029 6.346 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.678 4.125 7.158 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.572 5.028 5.952 1.00 0.66 H new ATOM 858 N VAL A 58 -12.063 2.186 5.323 1.00 0.60 N ATOM 859 CA VAL A 58 -12.141 0.948 4.596 1.00 0.65 C ATOM 860 C VAL A 58 -11.459 -0.138 5.441 1.00 0.60 C ATOM 861 O VAL A 58 -10.970 0.171 6.518 1.00 0.70 O ATOM 862 CB VAL A 58 -11.468 1.102 3.187 1.00 0.69 C ATOM 863 CG1 VAL A 58 -9.956 1.280 3.280 1.00 1.09 C ATOM 864 CG2 VAL A 58 -11.847 -0.015 2.234 1.00 1.16 C ATOM 0 H VAL A 58 -11.181 2.321 5.817 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.179 0.666 4.419 1.00 0.65 H new ATOM 0 HB VAL A 58 -11.869 2.023 2.763 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -9.539 1.382 2.278 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -9.730 2.175 3.860 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -9.517 0.410 3.769 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -11.353 0.142 1.275 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -11.533 -0.972 2.652 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -12.927 -0.019 2.090 1.00 1.16 H new ATOM 874 N SER A 59 -11.448 -1.367 5.010 1.00 0.62 N ATOM 875 CA SER A 59 -10.760 -2.391 5.732 1.00 0.67 C ATOM 876 C SER A 59 -10.089 -3.334 4.732 1.00 0.59 C ATOM 877 O SER A 59 -10.502 -3.410 3.565 1.00 0.72 O ATOM 878 CB SER A 59 -11.726 -3.134 6.671 1.00 0.92 C ATOM 879 OG SER A 59 -11.025 -3.968 7.590 1.00 1.87 O ATOM 0 H SER A 59 -11.911 -1.682 4.158 1.00 0.62 H new ATOM 0 HA SER A 59 -9.988 -1.950 6.363 1.00 0.67 H new ATOM 0 HB2 SER A 59 -12.328 -2.411 7.221 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.414 -3.739 6.081 1.00 0.92 H new ATOM 0 HG SER A 59 -10.083 -3.699 7.623 1.00 1.87 H new ATOM 885 N ILE A 60 -9.045 -4.008 5.167 1.00 0.48 N ATOM 886 CA ILE A 60 -8.260 -4.890 4.325 1.00 0.45 C ATOM 887 C ILE A 60 -7.985 -6.190 5.083 1.00 0.51 C ATOM 888 O ILE A 60 -7.490 -6.149 6.217 1.00 0.57 O ATOM 889 CB ILE A 60 -6.898 -4.218 3.980 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.134 -2.863 3.295 1.00 0.40 C ATOM 891 CG2 ILE A 60 -6.044 -5.134 3.093 1.00 0.43 C ATOM 892 CD1 ILE A 60 -5.897 -2.033 3.128 1.00 0.41 C ATOM 0 H ILE A 60 -8.712 -3.959 6.130 1.00 0.48 H new ATOM 0 HA ILE A 60 -8.811 -5.094 3.407 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.352 -4.048 4.908 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.576 -3.037 2.314 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.862 -2.297 3.876 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.098 -4.642 2.866 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -5.850 -6.070 3.617 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.577 -5.342 2.165 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.152 -1.094 2.637 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.464 -1.824 4.106 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.174 -2.576 2.519 1.00 0.41 H new ATOM 904 N PRO A 61 -8.330 -7.350 4.488 1.00 0.58 N ATOM 905 CA PRO A 61 -8.096 -8.667 5.099 1.00 0.66 C ATOM 906 C PRO A 61 -6.608 -8.904 5.411 1.00 0.56 C ATOM 907 O PRO A 61 -5.751 -8.812 4.523 1.00 0.44 O ATOM 908 CB PRO A 61 -8.606 -9.665 4.048 1.00 0.78 C ATOM 909 CG PRO A 61 -8.769 -8.885 2.787 1.00 0.87 C ATOM 910 CD PRO A 61 -8.995 -7.464 3.180 1.00 0.66 C ATOM 0 HA PRO A 61 -8.605 -8.765 6.058 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.899 -10.484 3.912 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -9.552 -10.109 4.358 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -7.882 -8.975 2.160 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -9.610 -9.263 2.206 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.566 -6.775 2.452 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -10.058 -7.233 3.250 1.00 0.66 H new ATOM 918 N ASP A 62 -6.334 -9.218 6.669 1.00 0.67 N ATOM 919 CA ASP A 62 -4.971 -9.361 7.226 1.00 0.67 C ATOM 920 C ASP A 62 -4.074 -10.305 6.458 1.00 0.54 C ATOM 921 O ASP A 62 -2.943 -9.951 6.128 1.00 0.52 O ATOM 922 CB ASP A 62 -5.009 -9.784 8.693 1.00 0.90 C ATOM 923 CG ASP A 62 -5.566 -8.724 9.605 1.00 1.18 C ATOM 924 OD1 ASP A 62 -6.711 -8.271 9.391 1.00 1.29 O ATOM 925 OD2 ASP A 62 -4.856 -8.281 10.526 1.00 1.83 O ATOM 0 H ASP A 62 -7.065 -9.388 7.360 1.00 0.67 H new ATOM 0 HA ASP A 62 -4.535 -8.366 7.132 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -5.611 -10.688 8.788 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -4.000 -10.038 9.017 1.00 0.90 H new ATOM 930 N ASP A 63 -4.563 -11.486 6.147 1.00 0.56 N ATOM 931 CA ASP A 63 -3.725 -12.466 5.470 1.00 0.55 C ATOM 932 C ASP A 63 -3.468 -12.052 4.047 1.00 0.44 C ATOM 933 O ASP A 63 -2.361 -12.214 3.542 1.00 0.46 O ATOM 934 CB ASP A 63 -4.315 -13.879 5.506 1.00 0.75 C ATOM 935 CG ASP A 63 -3.429 -14.884 4.776 1.00 1.54 C ATOM 936 OD1 ASP A 63 -3.594 -15.083 3.548 1.00 2.34 O ATOM 937 OD2 ASP A 63 -2.561 -15.506 5.411 1.00 1.84 O ATOM 0 H ASP A 63 -5.516 -11.792 6.345 1.00 0.56 H new ATOM 0 HA ASP A 63 -2.782 -12.497 6.016 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -4.443 -14.193 6.542 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -5.306 -13.871 5.051 1.00 0.75 H new ATOM 942 N VAL A 64 -4.458 -11.427 3.438 1.00 0.41 N ATOM 943 CA VAL A 64 -4.365 -11.012 2.043 1.00 0.40 C ATOM 944 C VAL A 64 -3.390 -9.845 1.947 1.00 0.34 C ATOM 945 O VAL A 64 -2.604 -9.742 0.999 1.00 0.41 O ATOM 946 CB VAL A 64 -5.758 -10.606 1.481 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.678 -10.286 -0.002 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.772 -11.715 1.723 1.00 0.66 C ATOM 0 H VAL A 64 -5.343 -11.192 3.887 1.00 0.41 H new ATOM 0 HA VAL A 64 -4.005 -11.848 1.443 1.00 0.40 H new ATOM 0 HB VAL A 64 -6.083 -9.708 2.007 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.666 -10.006 -0.368 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.985 -9.460 -0.159 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -5.326 -11.163 -0.545 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.741 -11.415 1.324 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.441 -12.626 1.225 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -6.862 -11.899 2.794 1.00 0.66 H new ATOM 958 N ALA A 65 -3.405 -9.012 2.977 1.00 0.33 N ATOM 959 CA ALA A 65 -2.473 -7.902 3.127 1.00 0.39 C ATOM 960 C ALA A 65 -1.017 -8.406 3.160 1.00 0.41 C ATOM 961 O ALA A 65 -0.096 -7.681 2.833 1.00 0.51 O ATOM 962 CB ALA A 65 -2.799 -7.119 4.395 1.00 0.46 C ATOM 0 H ALA A 65 -4.074 -9.088 3.743 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.578 -7.241 2.266 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -2.099 -6.291 4.501 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.815 -6.729 4.331 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.717 -7.777 5.260 1.00 0.46 H new ATOM 968 N GLY A 66 -0.836 -9.655 3.555 1.00 0.40 N ATOM 969 CA GLY A 66 0.483 -10.241 3.594 1.00 0.48 C ATOM 970 C GLY A 66 0.761 -11.132 2.387 1.00 0.48 C ATOM 971 O GLY A 66 1.832 -11.725 2.280 1.00 0.61 O ATOM 0 H GLY A 66 -1.587 -10.278 3.852 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.229 -9.447 3.635 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.590 -10.827 4.507 1.00 0.48 H new ATOM 975 N ARG A 67 -0.196 -11.225 1.469 1.00 0.43 N ATOM 976 CA ARG A 67 -0.032 -12.064 0.270 1.00 0.48 C ATOM 977 C ARG A 67 0.418 -11.226 -0.896 1.00 0.36 C ATOM 978 O ARG A 67 0.940 -11.741 -1.886 1.00 0.40 O ATOM 979 CB ARG A 67 -1.333 -12.790 -0.103 1.00 0.64 C ATOM 980 CG ARG A 67 -1.830 -13.752 0.945 1.00 1.16 C ATOM 981 CD ARG A 67 -0.857 -14.885 1.185 1.00 1.45 C ATOM 982 NE ARG A 67 -1.226 -15.664 2.360 1.00 2.16 N ATOM 983 CZ ARG A 67 -0.515 -16.670 2.863 1.00 3.05 C ATOM 984 NH1 ARG A 67 0.419 -17.263 2.121 1.00 3.43 N ATOM 985 NH2 ARG A 67 -0.796 -17.120 4.078 1.00 3.98 N ATOM 0 H ARG A 67 -1.090 -10.737 1.524 1.00 0.43 H new ATOM 0 HA ARG A 67 0.724 -12.814 0.503 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -2.108 -12.047 -0.294 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -1.177 -13.335 -1.034 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -1.998 -13.215 1.879 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -2.792 -14.160 0.635 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -0.830 -15.534 0.310 1.00 1.45 H new ATOM 0 HD3 ARG A 67 0.148 -14.482 1.314 1.00 1.45 H new ATOM 0 HE ARG A 67 -2.096 -15.419 2.833 1.00 2.16 H new ATOM 0 HH11 ARG A 67 0.590 -16.946 1.167 1.00 3.43 H new ATOM 0 HH12 ARG A 67 0.964 -18.034 2.507 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -1.551 -16.696 4.617 1.00 3.98 H new ATOM 0 HH22 ARG A 67 -0.258 -17.891 4.474 1.00 3.98 H new ATOM 999 N VAL A 68 0.241 -9.948 -0.773 1.00 0.33 N ATOM 1000 CA VAL A 68 0.615 -9.033 -1.812 1.00 0.34 C ATOM 1001 C VAL A 68 2.138 -8.839 -1.809 1.00 0.35 C ATOM 1002 O VAL A 68 2.731 -8.329 -0.855 1.00 0.44 O ATOM 1003 CB VAL A 68 -0.163 -7.691 -1.680 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.647 -7.938 -1.920 1.00 0.38 C ATOM 1005 CG2 VAL A 68 0.016 -7.068 -0.309 1.00 0.41 C ATOM 0 H VAL A 68 -0.167 -9.506 0.051 1.00 0.33 H new ATOM 0 HA VAL A 68 0.339 -9.451 -2.780 1.00 0.34 H new ATOM 0 HB VAL A 68 0.237 -7.002 -2.424 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -2.192 -6.998 -1.828 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.791 -8.344 -2.921 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -2.021 -8.649 -1.183 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.543 -6.133 -0.258 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.354 -7.754 0.453 1.00 0.41 H new ATOM 0 HG23 VAL A 68 1.073 -6.868 -0.135 1.00 0.41 H new ATOM 1015 N ASP A 69 2.764 -9.364 -2.828 1.00 0.36 N ATOM 1016 CA ASP A 69 4.212 -9.317 -2.952 1.00 0.40 C ATOM 1017 C ASP A 69 4.596 -8.126 -3.753 1.00 0.32 C ATOM 1018 O ASP A 69 5.651 -7.515 -3.553 1.00 0.32 O ATOM 1019 CB ASP A 69 4.739 -10.585 -3.616 1.00 0.57 C ATOM 1020 CG ASP A 69 6.240 -10.644 -3.629 1.00 1.13 C ATOM 1021 OD1 ASP A 69 6.873 -10.695 -2.554 1.00 1.27 O ATOM 1022 OD2 ASP A 69 6.831 -10.593 -4.729 1.00 1.91 O ATOM 0 H ASP A 69 2.293 -9.838 -3.599 1.00 0.36 H new ATOM 0 HA ASP A 69 4.651 -9.248 -1.957 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.349 -11.456 -3.090 1.00 0.57 H new ATOM 0 HB3 ASP A 69 4.367 -10.637 -4.639 1.00 0.57 H new ATOM 1027 N THR A 70 3.727 -7.781 -4.642 1.00 0.32 N ATOM 1028 CA THR A 70 3.934 -6.676 -5.480 1.00 0.31 C ATOM 1029 C THR A 70 2.843 -5.639 -5.259 1.00 0.27 C ATOM 1030 O THR A 70 1.657 -5.989 -5.105 1.00 0.29 O ATOM 1031 CB THR A 70 4.046 -7.122 -6.951 1.00 0.41 C ATOM 1032 OG1 THR A 70 2.922 -7.954 -7.315 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.335 -7.901 -7.147 1.00 0.47 C ATOM 0 H THR A 70 2.847 -8.272 -4.800 1.00 0.32 H new ATOM 0 HA THR A 70 4.882 -6.202 -5.227 1.00 0.31 H new ATOM 0 HB THR A 70 4.048 -6.236 -7.586 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.646 -8.488 -6.541 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.415 -8.217 -8.187 1.00 0.47 H new ATOM 0 HG22 THR A 70 6.185 -7.267 -6.894 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.332 -8.779 -6.501 1.00 0.47 H new ATOM 1041 N PRO A 71 3.230 -4.358 -5.175 1.00 0.25 N ATOM 1042 CA PRO A 71 2.317 -3.234 -4.937 1.00 0.24 C ATOM 1043 C PRO A 71 1.120 -3.207 -5.857 1.00 0.21 C ATOM 1044 O PRO A 71 0.069 -2.736 -5.461 1.00 0.25 O ATOM 1045 CB PRO A 71 3.193 -2.017 -5.149 1.00 0.29 C ATOM 1046 CG PRO A 71 4.542 -2.489 -4.777 1.00 0.32 C ATOM 1047 CD PRO A 71 4.623 -3.901 -5.248 1.00 0.30 C ATOM 0 HA PRO A 71 1.872 -3.295 -3.944 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.159 -1.675 -6.183 1.00 0.29 H new ATOM 0 HB3 PRO A 71 2.875 -1.181 -4.526 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.313 -1.876 -5.244 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.695 -2.427 -3.700 1.00 0.32 H new ATOM 0 HD2 PRO A 71 5.015 -3.965 -6.263 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.277 -4.500 -4.615 1.00 0.30 H new ATOM 1055 N ARG A 72 1.283 -3.706 -7.082 1.00 0.22 N ATOM 1056 CA ARG A 72 0.177 -3.808 -8.041 1.00 0.26 C ATOM 1057 C ARG A 72 -1.039 -4.527 -7.407 1.00 0.25 C ATOM 1058 O ARG A 72 -2.179 -4.063 -7.528 1.00 0.29 O ATOM 1059 CB ARG A 72 0.625 -4.543 -9.321 1.00 0.40 C ATOM 1060 CG ARG A 72 1.044 -5.992 -9.100 1.00 0.92 C ATOM 1061 CD ARG A 72 1.450 -6.685 -10.374 1.00 0.95 C ATOM 1062 NE ARG A 72 2.659 -6.111 -10.951 1.00 0.67 N ATOM 1063 CZ ARG A 72 3.814 -6.764 -11.096 1.00 0.93 C ATOM 1064 NH1 ARG A 72 3.985 -7.970 -10.544 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.809 -6.194 -11.757 1.00 1.29 N ATOM 0 H ARG A 72 2.175 -4.049 -7.438 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.124 -2.796 -8.312 1.00 0.26 H new ATOM 0 HB2 ARG A 72 -0.191 -4.519 -10.044 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.459 -4.000 -9.764 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.875 -6.021 -8.396 1.00 0.92 H new ATOM 0 HG3 ARG A 72 0.219 -6.538 -8.642 1.00 0.92 H new ATOM 0 HD2 ARG A 72 1.612 -7.744 -10.174 1.00 0.95 H new ATOM 0 HD3 ARG A 72 0.637 -6.618 -11.097 1.00 0.95 H new ATOM 0 HE ARG A 72 2.620 -5.142 -11.266 1.00 0.67 H new ATOM 0 HH11 ARG A 72 3.230 -8.397 -10.008 1.00 1.48 H new ATOM 0 HH12 ARG A 72 4.871 -8.463 -10.659 1.00 1.48 H new ATOM 0 HH21 ARG A 72 4.691 -5.261 -12.152 1.00 1.29 H new ATOM 0 HH22 ARG A 72 5.694 -6.688 -11.871 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.754 -5.632 -6.708 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.748 -6.479 -6.069 1.00 0.28 C ATOM 1081 C GLU A 73 -2.396 -5.741 -4.922 1.00 0.26 C ATOM 1082 O GLU A 73 -3.612 -5.730 -4.776 1.00 0.28 O ATOM 1083 CB GLU A 73 -1.073 -7.741 -5.533 1.00 0.34 C ATOM 1084 CG GLU A 73 -0.263 -8.502 -6.562 1.00 0.44 C ATOM 1085 CD GLU A 73 0.522 -9.632 -5.953 1.00 1.22 C ATOM 1086 OE1 GLU A 73 1.553 -9.374 -5.287 1.00 2.13 O ATOM 1087 OE2 GLU A 73 0.119 -10.801 -6.101 1.00 1.24 O ATOM 0 H GLU A 73 0.201 -5.964 -6.572 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.509 -6.747 -6.802 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.419 -7.465 -4.705 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.838 -8.404 -5.128 1.00 0.34 H new ATOM 0 HG2 GLU A 73 -0.932 -8.898 -7.326 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.421 -7.816 -7.062 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.555 -5.099 -4.129 1.00 0.26 N ATOM 1095 CA LEU A 74 -1.981 -4.392 -2.935 1.00 0.28 C ATOM 1096 C LEU A 74 -2.839 -3.195 -3.321 1.00 0.26 C ATOM 1097 O LEU A 74 -3.894 -2.967 -2.731 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.715 -4.009 -2.099 1.00 0.31 C ATOM 1099 CG LEU A 74 -0.880 -3.270 -0.743 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.112 -1.792 -0.934 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -1.999 -3.887 0.096 1.00 0.90 C ATOM 0 H LEU A 74 -0.550 -5.054 -4.298 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.607 -5.024 -2.305 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.164 -4.929 -1.903 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.082 -3.388 -2.733 1.00 0.31 H new ATOM 0 HG LEU A 74 0.058 -3.391 -0.201 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.222 -1.312 0.039 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.263 -1.355 -1.460 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.019 -1.639 -1.519 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.088 -3.346 1.038 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -2.941 -3.823 -0.449 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -1.768 -4.933 0.298 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.395 -2.468 -4.328 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.124 -1.335 -4.856 1.00 0.23 C ATOM 1115 C LEU A 75 -4.513 -1.788 -5.292 1.00 0.24 C ATOM 1116 O LEU A 75 -5.510 -1.265 -4.826 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.364 -0.733 -6.042 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.928 0.557 -6.621 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.907 1.655 -5.576 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -2.141 0.972 -7.847 1.00 0.34 C ATOM 0 H LEU A 75 -1.512 -2.650 -4.805 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.223 -0.572 -4.084 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.336 -0.547 -5.731 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.327 -1.477 -6.837 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.962 0.384 -6.919 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.313 2.572 -6.003 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.512 1.355 -4.720 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -1.881 1.829 -5.252 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.556 1.896 -8.250 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -1.098 1.132 -7.573 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -2.202 0.188 -8.601 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.540 -2.832 -6.122 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.778 -3.418 -6.678 1.00 0.25 C ATOM 1134 C ASP A 76 -6.752 -3.816 -5.583 1.00 0.27 C ATOM 1135 O ASP A 76 -7.959 -3.524 -5.663 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.434 -4.653 -7.515 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.650 -5.378 -8.045 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -7.204 -4.957 -9.094 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -7.107 -6.344 -7.399 1.00 0.57 O ATOM 0 H ASP A 76 -3.694 -3.307 -6.436 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.253 -2.659 -7.300 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.806 -4.351 -8.353 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.846 -5.341 -6.908 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.213 -4.453 -4.561 1.00 0.30 N ATOM 1145 CA LEU A 77 -6.975 -4.927 -3.424 1.00 0.36 C ATOM 1146 C LEU A 77 -7.675 -3.761 -2.736 1.00 0.34 C ATOM 1147 O LEU A 77 -8.909 -3.768 -2.561 1.00 0.38 O ATOM 1148 CB LEU A 77 -6.027 -5.634 -2.442 1.00 0.47 C ATOM 1149 CG LEU A 77 -6.640 -6.188 -1.158 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.661 -7.277 -1.461 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -5.548 -6.707 -0.244 1.00 1.96 C ATOM 0 H LEU A 77 -5.216 -4.659 -4.498 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.735 -5.630 -3.764 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.547 -6.458 -2.970 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.241 -4.931 -2.165 1.00 0.47 H new ATOM 0 HG LEU A 77 -7.166 -5.380 -0.650 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -8.080 -7.652 -0.528 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -8.460 -6.865 -2.078 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -7.175 -8.094 -1.994 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -5.994 -7.100 0.669 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -4.997 -7.500 -0.749 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -4.866 -5.894 0.006 1.00 1.96 H new ATOM 1163 N ILE A 78 -6.908 -2.742 -2.416 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.438 -1.589 -1.732 1.00 0.34 C ATOM 1165 C ILE A 78 -8.363 -0.801 -2.660 1.00 0.31 C ATOM 1166 O ILE A 78 -9.396 -0.323 -2.234 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.312 -0.673 -1.194 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.336 -1.499 -0.355 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -6.910 0.448 -0.339 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.160 -0.716 0.174 1.00 0.55 C ATOM 0 H ILE A 78 -5.910 -2.691 -2.621 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.010 -1.947 -0.876 1.00 0.34 H new ATOM 0 HB ILE A 78 -5.780 -0.230 -2.036 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -5.876 -1.935 0.486 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -4.965 -2.327 -0.959 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.110 1.087 0.035 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.595 1.041 -0.944 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -7.451 0.015 0.502 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -3.517 -1.375 0.758 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.594 -0.302 -0.660 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -4.518 0.096 0.807 1.00 0.55 H new ATOM 1182 N ASN A 79 -7.990 -0.689 -3.935 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.812 0.019 -4.940 1.00 0.31 C ATOM 1184 C ASN A 79 -10.201 -0.555 -5.006 1.00 0.32 C ATOM 1185 O ASN A 79 -11.181 0.192 -4.986 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.204 -0.001 -6.355 1.00 0.34 C ATOM 1187 CG ASN A 79 -6.930 0.810 -6.519 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -6.104 0.513 -7.373 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.753 1.822 -5.714 1.00 0.52 N ATOM 0 H ASN A 79 -7.123 -1.078 -4.306 1.00 0.29 H new ATOM 0 HA ASN A 79 -8.844 1.055 -4.604 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.996 -1.035 -6.630 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -8.948 0.373 -7.059 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -5.909 2.390 -5.787 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -7.459 2.045 -5.012 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.282 -1.881 -5.050 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.561 -2.551 -5.095 1.00 0.42 C ATOM 1198 C GLY A 80 -12.409 -2.207 -3.896 1.00 0.45 C ATOM 1199 O GLY A 80 -13.592 -1.878 -4.033 1.00 0.53 O ATOM 0 H GLY A 80 -9.475 -2.505 -5.055 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -12.088 -2.270 -6.007 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.407 -3.629 -5.135 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.781 -2.212 -2.739 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.446 -1.925 -1.491 1.00 0.52 C ATOM 1205 C ALA A 81 -12.827 -0.438 -1.382 1.00 0.51 C ATOM 1206 O ALA A 81 -13.891 -0.106 -0.896 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.574 -2.361 -0.328 1.00 0.59 C ATOM 0 H ALA A 81 -10.787 -2.417 -2.640 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.376 -2.492 -1.458 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -12.083 -2.141 0.611 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -11.385 -3.432 -0.396 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.627 -1.823 -0.362 1.00 0.59 H new ATOM 1213 N LEU A 82 -11.964 0.440 -1.864 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.215 1.880 -1.842 1.00 0.56 C ATOM 1215 C LEU A 82 -13.369 2.263 -2.743 1.00 0.59 C ATOM 1216 O LEU A 82 -14.103 3.209 -2.457 1.00 0.75 O ATOM 1217 CB LEU A 82 -10.969 2.646 -2.267 1.00 0.63 C ATOM 1218 CG LEU A 82 -9.793 2.628 -1.307 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -8.647 3.430 -1.880 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -10.203 3.181 0.043 1.00 1.10 C ATOM 0 H LEU A 82 -11.070 0.181 -2.282 1.00 0.48 H new ATOM 0 HA LEU A 82 -12.477 2.144 -0.817 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -10.633 2.244 -3.223 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -11.251 3.685 -2.439 1.00 0.63 H new ATOM 0 HG LEU A 82 -9.467 1.597 -1.170 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -7.807 3.412 -1.185 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -8.340 2.997 -2.832 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -8.966 4.460 -2.037 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -9.348 3.161 0.719 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -10.549 4.208 -0.074 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -11.007 2.572 0.457 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.487 1.559 -3.852 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.560 1.775 -4.801 1.00 0.67 C ATOM 1234 C ALA A 83 -15.917 1.439 -4.182 1.00 0.72 C ATOM 1235 O ALA A 83 -16.905 2.159 -4.374 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.322 0.952 -6.057 1.00 0.76 C ATOM 0 H ALA A 83 -12.839 0.819 -4.120 1.00 0.57 H new ATOM 0 HA ALA A 83 -14.571 2.831 -5.072 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.135 1.122 -6.763 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.377 1.249 -6.513 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.283 -0.106 -5.797 1.00 0.76 H new