USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 472 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 84 GLN : amide:sc= 0.713 K(o=1.9,f=1.1) USER MOD Set 1.2: A 136 TYR OH : rot -6:sc= 1.19 USER MOD Single : A 97 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.00075) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.919 USER MOD Single : A 107 MET CE :methyl -168:sc= -0.138 (180deg=-0.399) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.44) USER MOD Single : A 122 MET CE :methyl 156:sc= -0.089 (180deg=-0.654) USER MOD Single : A 130 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.025) USER MOD Single : A 135 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.2!) USER MOD Single : A 142 MET CE :methyl -179:sc= 0 (180deg=-0.00062) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 0.138 -14.028 -3.081 1.00 10.00 N ATOM 38 CA ALA A 78 0.385 -12.877 -2.248 1.00 10.00 C ATOM 39 C ALA A 78 1.519 -12.035 -2.822 1.00 10.00 C ATOM 40 O ALA A 78 2.626 -11.920 -2.301 1.00 10.00 O ATOM 41 CB ALA A 78 0.766 -13.364 -0.894 1.00 10.00 C ATOM 0 HA ALA A 78 -0.511 -12.258 -2.200 1.00 10.00 H new ATOM 0 HB1 ALA A 78 0.959 -12.512 -0.242 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -0.047 -13.961 -0.480 1.00 10.00 H new ATOM 0 HB3 ALA A 78 1.665 -13.976 -0.967 1.00 10.00 H new ATOM 47 N GLY A 79 1.175 -11.454 -3.947 1.00 10.00 N ATOM 48 CA GLY A 79 1.245 -10.030 -4.084 1.00 10.00 C ATOM 49 C GLY A 79 -0.215 -9.649 -3.924 1.00 10.00 C ATOM 50 O GLY A 79 -0.783 -9.780 -2.845 1.00 10.00 O ATOM 0 H GLY A 79 0.845 -11.949 -4.775 1.00 10.00 H new ATOM 0 HA2 GLY A 79 1.876 -9.573 -3.321 1.00 10.00 H new ATOM 0 HA3 GLY A 79 1.646 -9.728 -5.052 1.00 10.00 H new ATOM 54 N LEU A 80 -0.845 -9.288 -5.032 1.00 10.00 N ATOM 55 CA LEU A 80 -2.104 -8.583 -5.082 1.00 10.00 C ATOM 56 C LEU A 80 -3.184 -8.973 -4.079 1.00 10.00 C ATOM 57 O LEU A 80 -3.717 -8.094 -3.406 1.00 10.00 O ATOM 58 CB LEU A 80 -2.542 -8.580 -6.546 1.00 10.00 C ATOM 59 CG LEU A 80 -3.993 -8.212 -6.858 1.00 10.00 C ATOM 60 CD1 LEU A 80 -4.056 -7.746 -8.316 1.00 10.00 C ATOM 61 CD2 LEU A 80 -4.906 -9.431 -6.689 1.00 10.00 C ATOM 0 H LEU A 80 -0.470 -9.491 -5.959 1.00 10.00 H new ATOM 0 HA LEU A 80 -1.936 -7.569 -4.719 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -1.898 -7.887 -7.086 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.354 -9.573 -6.953 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.327 -7.429 -6.177 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -5.082 -7.476 -8.568 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -3.410 -6.879 -8.449 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -3.722 -8.551 -8.970 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.934 -9.149 -6.915 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -4.588 -10.221 -7.369 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -4.846 -9.791 -5.662 1.00 10.00 H new ATOM 73 N GLU A 81 -3.516 -10.255 -3.965 1.00 10.00 N ATOM 74 CA GLU A 81 -4.516 -10.704 -2.994 1.00 10.00 C ATOM 75 C GLU A 81 -4.193 -10.174 -1.591 1.00 10.00 C ATOM 76 O GLU A 81 -5.023 -9.549 -0.928 1.00 10.00 O ATOM 77 CB GLU A 81 -4.568 -12.238 -2.988 1.00 10.00 C ATOM 78 CG GLU A 81 -5.437 -12.776 -4.130 1.00 10.00 C ATOM 79 CD GLU A 81 -6.916 -12.564 -3.829 1.00 10.00 C ATOM 80 OE1 GLU A 81 -7.429 -13.329 -2.984 1.00 10.00 O ATOM 81 OE2 GLU A 81 -7.493 -11.636 -4.433 1.00 10.00 O ATOM 0 H GLU A 81 -3.111 -11.002 -4.529 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.490 -10.310 -3.283 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -3.558 -12.637 -3.079 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -4.964 -12.586 -2.034 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -5.175 -12.273 -5.061 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -5.239 -13.838 -4.275 1.00 10.00 H new ATOM 88 N ASP A 82 -2.947 -10.395 -1.170 1.00 10.00 N ATOM 89 CA ASP A 82 -2.429 -9.954 0.115 1.00 10.00 C ATOM 90 C ASP A 82 -2.604 -8.445 0.252 1.00 10.00 C ATOM 91 O ASP A 82 -2.957 -7.925 1.304 1.00 10.00 O ATOM 92 CB ASP A 82 -0.957 -10.368 0.198 1.00 10.00 C ATOM 93 CG ASP A 82 -0.435 -10.431 1.619 1.00 10.00 C ATOM 94 OD1 ASP A 82 -0.872 -11.359 2.330 1.00 10.00 O ATOM 95 OD2 ASP A 82 0.426 -9.588 1.944 1.00 10.00 O ATOM 0 H ASP A 82 -2.258 -10.898 -1.730 1.00 10.00 H new ATOM 0 HA ASP A 82 -2.974 -10.416 0.938 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -0.834 -11.344 -0.271 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -0.355 -9.661 -0.373 1.00 10.00 H new ATOM 100 N LEU A 83 -2.403 -7.738 -0.854 1.00 10.00 N ATOM 101 CA LEU A 83 -2.491 -6.293 -0.919 1.00 10.00 C ATOM 102 C LEU A 83 -3.925 -5.808 -0.795 1.00 10.00 C ATOM 103 O LEU A 83 -4.181 -4.880 -0.048 1.00 10.00 O ATOM 104 CB LEU A 83 -1.832 -5.768 -2.167 1.00 10.00 C ATOM 105 CG LEU A 83 -0.481 -6.450 -2.335 1.00 10.00 C ATOM 106 CD1 LEU A 83 0.137 -5.751 -3.505 1.00 10.00 C ATOM 107 CD2 LEU A 83 0.461 -6.398 -1.121 1.00 10.00 C ATOM 0 H LEU A 83 -2.169 -8.168 -1.749 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.948 -5.892 -0.063 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -2.462 -5.960 -3.035 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -1.703 -4.688 -2.100 1.00 10.00 H new ATOM 0 HG LEU A 83 -0.637 -7.520 -2.468 1.00 10.00 H new ATOM 0 HD11 LEU A 83 1.121 -6.176 -3.705 1.00 10.00 H new ATOM 0 HD12 LEU A 83 -0.498 -5.878 -4.382 1.00 10.00 H new ATOM 0 HD13 LEU A 83 0.239 -4.689 -3.282 1.00 10.00 H new ATOM 0 HD21 LEU A 83 1.390 -6.916 -1.359 1.00 10.00 H new ATOM 0 HD22 LEU A 83 0.678 -5.359 -0.873 1.00 10.00 H new ATOM 0 HD23 LEU A 83 -0.016 -6.882 -0.269 1.00 10.00 H new ATOM 119 N GLN A 84 -4.881 -6.410 -1.502 1.00 10.00 N ATOM 120 CA GLN A 84 -6.277 -6.023 -1.343 1.00 10.00 C ATOM 121 C GLN A 84 -6.697 -6.230 0.112 1.00 10.00 C ATOM 122 O GLN A 84 -7.335 -5.359 0.701 1.00 10.00 O ATOM 123 CB GLN A 84 -7.155 -6.802 -2.334 1.00 10.00 C ATOM 124 CG GLN A 84 -8.547 -6.166 -2.506 1.00 10.00 C ATOM 125 CD GLN A 84 -8.517 -4.719 -3.005 1.00 10.00 C ATOM 126 OE1 GLN A 84 -9.183 -3.850 -2.450 1.00 10.00 O ATOM 127 NE2 GLN A 84 -7.745 -4.437 -4.050 1.00 10.00 N ATOM 0 H GLN A 84 -4.716 -7.155 -2.179 1.00 10.00 H new ATOM 0 HA GLN A 84 -6.407 -4.966 -1.573 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -6.656 -6.846 -3.302 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -7.268 -7.829 -1.987 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -9.126 -6.768 -3.206 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -9.070 -6.198 -1.550 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.200 -5.175 -4.496 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -7.698 -3.482 -4.406 1.00 10.00 H new ATOM 136 N VAL A 85 -6.292 -7.347 0.720 1.00 10.00 N ATOM 137 CA VAL A 85 -6.496 -7.595 2.120 1.00 10.00 C ATOM 138 C VAL A 85 -5.781 -6.517 2.962 1.00 10.00 C ATOM 139 O VAL A 85 -6.362 -6.026 3.928 1.00 10.00 O ATOM 140 CB VAL A 85 -6.050 -9.043 2.356 1.00 10.00 C ATOM 141 CG1 VAL A 85 -6.025 -9.349 3.836 1.00 10.00 C ATOM 142 CG2 VAL A 85 -7.006 -10.027 1.662 1.00 10.00 C ATOM 0 H VAL A 85 -5.809 -8.104 0.235 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.535 -7.510 2.439 1.00 10.00 H new ATOM 0 HB VAL A 85 -5.050 -9.157 1.939 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -5.707 -10.380 3.989 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -5.328 -8.676 4.335 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -7.023 -9.212 4.253 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -6.671 -11.048 1.842 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -8.012 -9.899 2.061 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -7.014 -9.832 0.590 1.00 10.00 H new ATOM 152 N ALA A 86 -4.559 -6.111 2.585 1.00 10.00 N ATOM 153 CA ALA A 86 -3.838 -4.997 3.200 1.00 10.00 C ATOM 154 C ALA A 86 -4.719 -3.740 3.196 1.00 10.00 C ATOM 155 O ALA A 86 -5.132 -3.247 4.246 1.00 10.00 O ATOM 156 CB ALA A 86 -2.479 -4.748 2.499 1.00 10.00 C ATOM 0 H ALA A 86 -4.039 -6.559 1.830 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.614 -5.255 4.235 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.969 -3.914 2.980 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.861 -5.643 2.574 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.649 -4.512 1.449 1.00 10.00 H new ATOM 162 N PHE A 87 -5.027 -3.251 1.993 1.00 10.00 N ATOM 163 CA PHE A 87 -5.892 -2.118 1.713 1.00 10.00 C ATOM 164 C PHE A 87 -7.146 -2.158 2.571 1.00 10.00 C ATOM 165 O PHE A 87 -7.445 -1.165 3.224 1.00 10.00 O ATOM 166 CB PHE A 87 -6.226 -2.080 0.211 1.00 10.00 C ATOM 167 CG PHE A 87 -5.043 -1.728 -0.676 1.00 10.00 C ATOM 168 CD1 PHE A 87 -4.148 -0.722 -0.275 1.00 10.00 C ATOM 169 CD2 PHE A 87 -4.709 -2.517 -1.790 1.00 10.00 C ATOM 170 CE1 PHE A 87 -2.817 -0.786 -0.705 1.00 10.00 C ATOM 171 CE2 PHE A 87 -3.367 -2.592 -2.206 1.00 10.00 C ATOM 172 CZ PHE A 87 -2.392 -1.843 -1.522 1.00 10.00 C ATOM 0 H PHE A 87 -4.652 -3.666 1.140 1.00 10.00 H new ATOM 0 HA PHE A 87 -5.367 -1.198 1.970 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -6.615 -3.053 -0.089 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -7.021 -1.353 0.044 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -4.482 0.089 0.356 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -5.476 -3.061 -2.322 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -2.117 -0.020 -0.407 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -3.088 -3.218 -3.041 1.00 10.00 H new ATOM 0 HZ PHE A 87 -1.342 -2.076 -1.624 1.00 10.00 H new ATOM 182 N ARG A 88 -7.815 -3.312 2.635 1.00 10.00 N ATOM 183 CA ARG A 88 -9.027 -3.511 3.420 1.00 10.00 C ATOM 184 C ARG A 88 -8.935 -2.885 4.821 1.00 10.00 C ATOM 185 O ARG A 88 -9.932 -2.366 5.322 1.00 10.00 O ATOM 186 CB ARG A 88 -9.378 -5.013 3.470 1.00 10.00 C ATOM 187 CG ARG A 88 -10.879 -5.296 3.329 1.00 10.00 C ATOM 188 CD ARG A 88 -11.647 -5.197 4.651 1.00 10.00 C ATOM 189 NE ARG A 88 -13.096 -5.170 4.402 1.00 10.00 N ATOM 190 CZ ARG A 88 -14.052 -5.423 5.309 1.00 10.00 C ATOM 191 NH1 ARG A 88 -13.719 -5.789 6.551 1.00 10.00 N ATOM 192 NH2 ARG A 88 -15.340 -5.309 4.965 1.00 10.00 N ATOM 0 H ARG A 88 -7.520 -4.148 2.131 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.841 -2.984 2.923 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -8.843 -5.530 2.673 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -9.025 -5.429 4.414 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -11.308 -4.592 2.615 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -11.015 -6.294 2.913 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -11.397 -6.045 5.288 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -11.347 -4.296 5.187 1.00 10.00 H new ATOM 0 HE ARG A 88 -13.401 -4.939 3.457 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -12.737 -5.876 6.811 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -14.447 -5.981 7.239 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -15.592 -5.031 4.017 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -16.070 -5.500 5.651 1.00 10.00 H new ATOM 206 N ALA A 89 -7.760 -2.916 5.464 1.00 10.00 N ATOM 207 CA ALA A 89 -7.576 -2.270 6.758 1.00 10.00 C ATOM 208 C ALA A 89 -7.843 -0.758 6.681 1.00 10.00 C ATOM 209 O ALA A 89 -8.682 -0.251 7.422 1.00 10.00 O ATOM 210 CB ALA A 89 -6.179 -2.577 7.304 1.00 10.00 C ATOM 0 H ALA A 89 -6.927 -3.383 5.105 1.00 10.00 H new ATOM 0 HA ALA A 89 -8.310 -2.677 7.454 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -6.051 -2.090 8.271 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -6.063 -3.654 7.422 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -5.427 -2.205 6.608 1.00 10.00 H new ATOM 216 N PHE A 90 -7.134 -0.041 5.802 1.00 10.00 N ATOM 217 CA PHE A 90 -7.260 1.405 5.626 1.00 10.00 C ATOM 218 C PHE A 90 -7.828 1.749 4.250 1.00 10.00 C ATOM 219 O PHE A 90 -7.304 2.604 3.537 1.00 10.00 O ATOM 220 CB PHE A 90 -5.896 2.054 5.833 1.00 10.00 C ATOM 221 CG PHE A 90 -5.327 1.809 7.214 1.00 10.00 C ATOM 222 CD1 PHE A 90 -5.672 2.654 8.282 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.520 0.685 7.445 1.00 10.00 C ATOM 224 CE1 PHE A 90 -5.224 2.363 9.580 1.00 10.00 C ATOM 225 CE2 PHE A 90 -4.113 0.363 8.747 1.00 10.00 C ATOM 226 CZ PHE A 90 -4.464 1.203 9.819 1.00 10.00 C ATOM 0 H PHE A 90 -6.443 -0.462 5.181 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.960 1.793 6.366 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -5.200 1.671 5.086 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.982 3.128 5.667 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -6.282 3.527 8.104 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -4.211 0.065 6.616 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -5.463 3.030 10.396 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -3.531 -0.529 8.927 1.00 10.00 H new ATOM 0 HZ PHE A 90 -4.151 0.958 10.823 1.00 10.00 H new ATOM 236 N ASP A 91 -8.934 1.100 3.888 1.00 10.00 N ATOM 237 CA ASP A 91 -9.532 1.255 2.566 1.00 10.00 C ATOM 238 C ASP A 91 -10.127 2.652 2.355 1.00 10.00 C ATOM 239 O ASP A 91 -10.295 3.141 1.240 1.00 10.00 O ATOM 240 CB ASP A 91 -10.535 0.112 2.350 1.00 10.00 C ATOM 241 CG ASP A 91 -10.578 -0.372 0.908 1.00 10.00 C ATOM 242 OD1 ASP A 91 -9.492 -0.722 0.397 1.00 10.00 O ATOM 243 OD2 ASP A 91 -11.704 -0.456 0.375 1.00 10.00 O ATOM 0 H ASP A 91 -9.437 0.457 4.499 1.00 10.00 H new ATOM 0 HA ASP A 91 -8.761 1.181 1.799 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -10.273 -0.722 3.001 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -11.529 0.447 2.646 1.00 10.00 H new ATOM 296 N GLY A 96 -10.177 7.224 -2.621 1.00 10.00 N ATOM 297 CA GLY A 96 -9.531 7.756 -3.814 1.00 10.00 C ATOM 298 C GLY A 96 -8.001 7.639 -3.838 1.00 10.00 C ATOM 299 O GLY A 96 -7.437 7.440 -4.913 1.00 10.00 O ATOM 0 HA2 GLY A 96 -9.932 7.239 -4.686 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -9.800 8.807 -3.915 1.00 10.00 H new ATOM 303 N HIS A 97 -7.298 7.783 -2.708 1.00 10.00 N ATOM 304 CA HIS A 97 -5.835 7.760 -2.683 1.00 10.00 C ATOM 305 C HIS A 97 -5.350 7.183 -1.359 1.00 10.00 C ATOM 306 O HIS A 97 -5.807 7.616 -0.313 1.00 10.00 O ATOM 307 CB HIS A 97 -5.262 9.183 -2.836 1.00 10.00 C ATOM 308 CG HIS A 97 -5.050 9.664 -4.250 1.00 10.00 C ATOM 309 ND1 HIS A 97 -5.118 10.972 -4.677 1.00 10.00 N ATOM 310 CD2 HIS A 97 -4.428 8.951 -5.237 1.00 10.00 C ATOM 311 CE1 HIS A 97 -4.568 11.032 -5.903 1.00 10.00 C ATOM 312 NE2 HIS A 97 -4.123 9.824 -6.285 1.00 10.00 N ATOM 0 H HIS A 97 -7.726 7.918 -1.792 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.493 7.142 -3.513 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -5.934 9.879 -2.334 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -4.307 9.227 -2.312 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -4.210 7.894 -5.211 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -4.494 11.930 -6.499 1.00 10.00 H new ATOM 0 HE2 HIS A 97 -3.657 9.591 -7.162 1.00 10.00 H new ATOM 320 N ILE A 98 -4.405 6.241 -1.398 1.00 10.00 N ATOM 321 CA ILE A 98 -3.833 5.671 -0.174 1.00 10.00 C ATOM 322 C ILE A 98 -2.815 6.618 0.453 1.00 10.00 C ATOM 323 O ILE A 98 -2.230 7.464 -0.224 1.00 10.00 O ATOM 324 CB ILE A 98 -3.128 4.312 -0.403 1.00 10.00 C ATOM 325 CG1 ILE A 98 -2.968 3.980 -1.878 1.00 10.00 C ATOM 326 CG2 ILE A 98 -3.817 3.187 0.373 1.00 10.00 C ATOM 327 CD1 ILE A 98 -2.314 2.636 -2.171 1.00 10.00 C ATOM 0 H ILE A 98 -4.020 5.857 -2.261 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.684 5.518 0.490 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.118 4.407 -0.005 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -3.952 3.998 -2.347 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -2.376 4.765 -2.349 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.297 2.247 0.190 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -3.794 3.413 1.439 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.852 3.099 0.044 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -2.245 2.492 -3.249 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -1.314 2.616 -1.738 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -2.914 1.837 -1.736 1.00 10.00 H new ATOM 339 N THR A 99 -2.518 6.350 1.726 1.00 10.00 N ATOM 340 CA THR A 99 -1.308 6.778 2.401 1.00 10.00 C ATOM 341 C THR A 99 -0.390 5.560 2.446 1.00 10.00 C ATOM 342 O THR A 99 -0.773 4.488 2.924 1.00 10.00 O ATOM 343 CB THR A 99 -1.599 7.411 3.778 1.00 10.00 C ATOM 344 OG1 THR A 99 -1.022 6.702 4.854 1.00 10.00 O ATOM 345 CG2 THR A 99 -3.097 7.581 4.022 1.00 10.00 C ATOM 0 H THR A 99 -3.139 5.810 2.329 1.00 10.00 H new ATOM 0 HA THR A 99 -0.811 7.585 1.862 1.00 10.00 H new ATOM 0 HB THR A 99 -1.128 8.394 3.742 1.00 10.00 H new ATOM 0 HG1 THR A 99 -1.240 7.152 5.697 1.00 10.00 H new ATOM 0 HG21 THR A 99 -3.257 8.030 5.002 1.00 10.00 H new ATOM 0 HG22 THR A 99 -3.520 8.228 3.253 1.00 10.00 H new ATOM 0 HG23 THR A 99 -3.585 6.607 3.985 1.00 10.00 H new ATOM 353 N VAL A 100 0.836 5.723 1.941 1.00 10.00 N ATOM 354 CA VAL A 100 1.889 4.726 2.075 1.00 10.00 C ATOM 355 C VAL A 100 2.013 4.250 3.542 1.00 10.00 C ATOM 356 O VAL A 100 2.381 3.106 3.815 1.00 10.00 O ATOM 357 CB VAL A 100 3.238 5.241 1.562 1.00 10.00 C ATOM 358 CG1 VAL A 100 3.340 5.125 0.038 1.00 10.00 C ATOM 359 CG2 VAL A 100 3.462 6.689 1.965 1.00 10.00 C ATOM 0 H VAL A 100 1.122 6.556 1.426 1.00 10.00 H new ATOM 0 HA VAL A 100 1.606 3.876 1.454 1.00 10.00 H new ATOM 0 HB VAL A 100 4.007 4.617 2.018 1.00 10.00 H new ATOM 0 HG11 VAL A 100 4.309 5.499 -0.291 1.00 10.00 H new ATOM 0 HG12 VAL A 100 3.236 4.080 -0.255 1.00 10.00 H new ATOM 0 HG13 VAL A 100 2.548 5.713 -0.425 1.00 10.00 H new ATOM 0 HG21 VAL A 100 4.427 7.027 1.587 1.00 10.00 H new ATOM 0 HG22 VAL A 100 2.670 7.310 1.546 1.00 10.00 H new ATOM 0 HG23 VAL A 100 3.449 6.770 3.052 1.00 10.00 H new ATOM 369 N ASP A 101 1.749 5.152 4.498 1.00 10.00 N ATOM 370 CA ASP A 101 1.883 4.868 5.925 1.00 10.00 C ATOM 371 C ASP A 101 0.796 3.909 6.408 1.00 10.00 C ATOM 372 O ASP A 101 1.102 2.865 6.976 1.00 10.00 O ATOM 373 CB ASP A 101 1.906 6.159 6.745 1.00 10.00 C ATOM 374 CG ASP A 101 2.383 5.873 8.161 1.00 10.00 C ATOM 375 OD1 ASP A 101 3.621 5.942 8.336 1.00 10.00 O ATOM 376 OD2 ASP A 101 1.534 5.569 9.027 1.00 10.00 O ATOM 0 H ASP A 101 1.436 6.102 4.297 1.00 10.00 H new ATOM 0 HA ASP A 101 2.840 4.369 6.076 1.00 10.00 H new ATOM 0 HB2 ASP A 101 2.564 6.887 6.272 1.00 10.00 H new ATOM 0 HB3 ASP A 101 0.909 6.600 6.771 1.00 10.00 H new ATOM 381 N GLU A 102 -0.468 4.224 6.129 1.00 10.00 N ATOM 382 CA GLU A 102 -1.593 3.323 6.348 1.00 10.00 C ATOM 383 C GLU A 102 -1.329 1.969 5.694 1.00 10.00 C ATOM 384 O GLU A 102 -1.557 0.926 6.301 1.00 10.00 O ATOM 385 CB GLU A 102 -2.865 3.991 5.837 1.00 10.00 C ATOM 386 CG GLU A 102 -3.347 5.031 6.859 1.00 10.00 C ATOM 387 CD GLU A 102 -4.765 5.499 6.575 1.00 10.00 C ATOM 388 OE1 GLU A 102 -5.184 5.356 5.409 1.00 10.00 O ATOM 389 OE2 GLU A 102 -5.409 5.951 7.545 1.00 10.00 O ATOM 0 H GLU A 102 -0.741 5.126 5.739 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.722 3.126 7.412 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.675 4.471 4.877 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -3.640 3.242 5.672 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -3.301 4.603 7.860 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -2.674 5.888 6.848 1.00 10.00 H new ATOM 396 N LEU A 103 -0.776 1.977 4.484 1.00 10.00 N ATOM 397 CA LEU A 103 -0.281 0.773 3.834 1.00 10.00 C ATOM 398 C LEU A 103 0.680 -0.009 4.757 1.00 10.00 C ATOM 399 O LEU A 103 0.503 -1.196 5.025 1.00 10.00 O ATOM 400 CB LEU A 103 0.415 1.196 2.540 1.00 10.00 C ATOM 401 CG LEU A 103 -0.263 0.610 1.309 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.209 1.421 0.102 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.163 -0.851 1.127 1.00 10.00 C ATOM 0 H LEU A 103 -0.659 2.823 3.927 1.00 10.00 H new ATOM 0 HA LEU A 103 -1.110 0.101 3.612 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.418 2.284 2.469 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.456 0.876 2.567 1.00 10.00 H new ATOM 0 HG LEU A 103 -1.347 0.650 1.414 1.00 10.00 H new ATOM 0 HD11 LEU A 103 -0.256 1.031 -0.803 1.00 10.00 H new ATOM 0 HD12 LEU A 103 -0.073 2.466 0.233 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.293 1.346 0.014 1.00 10.00 H new ATOM 0 HD21 LEU A 103 -0.325 -1.265 0.245 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.244 -0.902 1.001 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.127 -1.427 2.006 1.00 10.00 H new ATOM 415 N ARG A 104 1.713 0.670 5.260 1.00 10.00 N ATOM 416 CA ARG A 104 2.689 0.112 6.196 1.00 10.00 C ATOM 417 C ARG A 104 2.033 -0.392 7.482 1.00 10.00 C ATOM 418 O ARG A 104 2.498 -1.343 8.103 1.00 10.00 O ATOM 419 CB ARG A 104 3.711 1.200 6.534 1.00 10.00 C ATOM 420 CG ARG A 104 5.075 0.633 6.953 1.00 10.00 C ATOM 421 CD ARG A 104 6.059 1.752 7.326 1.00 10.00 C ATOM 422 NE ARG A 104 6.015 2.871 6.364 1.00 10.00 N ATOM 423 CZ ARG A 104 5.714 4.142 6.682 1.00 10.00 C ATOM 424 NH1 ARG A 104 5.770 4.549 7.950 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.337 5.005 5.736 1.00 10.00 N ATOM 0 H ARG A 104 1.898 1.645 5.022 1.00 10.00 H new ATOM 0 HA ARG A 104 3.170 -0.744 5.722 1.00 10.00 H new ATOM 0 HB2 ARG A 104 3.844 1.848 5.667 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.319 1.821 7.339 1.00 10.00 H new ATOM 0 HG2 ARG A 104 4.946 -0.038 7.802 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.489 0.039 6.138 1.00 10.00 H new ATOM 0 HD2 ARG A 104 5.825 2.123 8.324 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.070 1.347 7.365 1.00 10.00 H new ATOM 0 HE ARG A 104 6.228 2.665 5.388 1.00 10.00 H new ATOM 0 HH11 ARG A 104 6.042 3.895 8.684 1.00 10.00 H new ATOM 0 HH12 ARG A 104 5.541 5.514 8.186 1.00 10.00 H new ATOM 0 HH21 ARG A 104 5.276 4.702 4.764 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.110 5.968 5.985 1.00 10.00 H new ATOM 439 N ARG A 105 0.974 0.284 7.909 1.00 10.00 N ATOM 440 CA ARG A 105 0.232 -0.041 9.111 1.00 10.00 C ATOM 441 C ARG A 105 -0.528 -1.351 8.869 1.00 10.00 C ATOM 442 O ARG A 105 -0.441 -2.282 9.668 1.00 10.00 O ATOM 443 CB ARG A 105 -0.643 1.178 9.451 1.00 10.00 C ATOM 444 CG ARG A 105 -0.825 1.456 10.948 1.00 10.00 C ATOM 445 CD ARG A 105 -0.978 2.975 11.119 1.00 10.00 C ATOM 446 NE ARG A 105 -1.159 3.364 12.526 1.00 10.00 N ATOM 447 CZ ARG A 105 -0.899 4.587 13.019 1.00 10.00 C ATOM 448 NH1 ARG A 105 -0.388 5.547 12.235 1.00 10.00 N ATOM 449 NH2 ARG A 105 -1.151 4.843 14.310 1.00 10.00 N ATOM 0 H ARG A 105 0.601 1.094 7.413 1.00 10.00 H new ATOM 0 HA ARG A 105 0.860 -0.226 9.982 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -0.205 2.061 8.985 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.626 1.035 9.002 1.00 10.00 H new ATOM 0 HG2 ARG A 105 -1.704 0.936 11.331 1.00 10.00 H new ATOM 0 HG3 ARG A 105 0.033 1.091 11.513 1.00 10.00 H new ATOM 0 HD2 ARG A 105 -0.096 3.474 10.717 1.00 10.00 H new ATOM 0 HD3 ARG A 105 -1.832 3.320 10.536 1.00 10.00 H new ATOM 0 HE ARG A 105 -1.506 2.656 13.173 1.00 10.00 H new ATOM 0 HH11 ARG A 105 -0.192 5.353 11.253 1.00 10.00 H new ATOM 0 HH12 ARG A 105 -0.195 6.471 12.621 1.00 10.00 H new ATOM 0 HH21 ARG A 105 -1.537 4.113 14.909 1.00 10.00 H new ATOM 0 HH22 ARG A 105 -0.957 5.768 14.694 1.00 10.00 H new ATOM 463 N ALA A 106 -1.215 -1.453 7.725 1.00 10.00 N ATOM 464 CA ALA A 106 -1.911 -2.655 7.278 1.00 10.00 C ATOM 465 C ALA A 106 -1.014 -3.888 7.333 1.00 10.00 C ATOM 466 O ALA A 106 -1.446 -4.943 7.793 1.00 10.00 O ATOM 467 CB ALA A 106 -2.419 -2.466 5.851 1.00 10.00 C ATOM 0 H ALA A 106 -1.302 -0.677 7.069 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.749 -2.815 7.956 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.937 -3.369 5.527 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -3.107 -1.621 5.819 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.576 -2.273 5.187 1.00 10.00 H new ATOM 473 N MET A 107 0.235 -3.761 6.870 1.00 10.00 N ATOM 474 CA MET A 107 1.214 -4.845 6.900 1.00 10.00 C ATOM 475 C MET A 107 1.293 -5.565 8.255 1.00 10.00 C ATOM 476 O MET A 107 1.517 -6.777 8.299 1.00 10.00 O ATOM 477 CB MET A 107 2.589 -4.313 6.515 1.00 10.00 C ATOM 478 CG MET A 107 2.709 -4.007 5.025 1.00 10.00 C ATOM 479 SD MET A 107 3.000 -5.481 4.024 1.00 10.00 S ATOM 480 CE MET A 107 3.808 -4.670 2.644 1.00 10.00 C ATOM 0 H MET A 107 0.593 -2.897 6.463 1.00 10.00 H new ATOM 0 HA MET A 107 0.876 -5.586 6.175 1.00 10.00 H new ATOM 0 HB2 MET A 107 2.796 -3.407 7.085 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.348 -5.045 6.793 1.00 10.00 H new ATOM 0 HG2 MET A 107 1.796 -3.518 4.685 1.00 10.00 H new ATOM 0 HG3 MET A 107 3.525 -3.302 4.869 1.00 10.00 H new ATOM 0 HE1 MET A 107 3.886 -5.366 1.808 1.00 10.00 H new ATOM 0 HE2 MET A 107 3.224 -3.802 2.340 1.00 10.00 H new ATOM 0 HE3 MET A 107 4.806 -4.349 2.944 1.00 10.00 H new ATOM 490 N ALA A 108 1.088 -4.842 9.362 1.00 10.00 N ATOM 491 CA ALA A 108 1.046 -5.445 10.689 1.00 10.00 C ATOM 492 C ALA A 108 -0.001 -6.556 10.779 1.00 10.00 C ATOM 493 O ALA A 108 0.227 -7.571 11.431 1.00 10.00 O ATOM 494 CB ALA A 108 0.800 -4.358 11.735 1.00 10.00 C ATOM 0 H ALA A 108 0.948 -3.832 9.359 1.00 10.00 H new ATOM 0 HA ALA A 108 2.010 -5.915 10.886 1.00 10.00 H new ATOM 0 HB1 ALA A 108 0.768 -4.808 12.727 1.00 10.00 H new ATOM 0 HB2 ALA A 108 1.606 -3.625 11.695 1.00 10.00 H new ATOM 0 HB3 ALA A 108 -0.150 -3.864 11.530 1.00 10.00 H new ATOM 500 N GLY A 109 -1.136 -6.373 10.106 1.00 10.00 N ATOM 501 CA GLY A 109 -2.178 -7.378 10.003 1.00 10.00 C ATOM 502 C GLY A 109 -1.749 -8.564 9.138 1.00 10.00 C ATOM 503 O GLY A 109 -2.226 -9.675 9.348 1.00 10.00 O ATOM 0 H GLY A 109 -1.355 -5.508 9.612 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.439 -7.733 11.000 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -3.076 -6.927 9.580 1.00 10.00 H new ATOM 507 N LEU A 110 -0.881 -8.334 8.145 1.00 10.00 N ATOM 508 CA LEU A 110 -0.518 -9.354 7.170 1.00 10.00 C ATOM 509 C LEU A 110 0.428 -10.391 7.762 1.00 10.00 C ATOM 510 O LEU A 110 0.143 -11.585 7.724 1.00 10.00 O ATOM 511 CB LEU A 110 0.119 -8.716 5.926 1.00 10.00 C ATOM 512 CG LEU A 110 -0.860 -7.902 5.064 1.00 10.00 C ATOM 513 CD1 LEU A 110 -0.078 -7.285 3.893 1.00 10.00 C ATOM 514 CD2 LEU A 110 -1.999 -8.782 4.533 1.00 10.00 C ATOM 0 H LEU A 110 -0.416 -7.438 8.000 1.00 10.00 H new ATOM 0 HA LEU A 110 -1.438 -9.862 6.880 1.00 10.00 H new ATOM 0 HB2 LEU A 110 0.934 -8.066 6.242 1.00 10.00 H new ATOM 0 HB3 LEU A 110 0.558 -9.503 5.313 1.00 10.00 H new ATOM 0 HG LEU A 110 -1.310 -7.119 5.675 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -0.756 -6.703 3.269 1.00 10.00 H new ATOM 0 HD12 LEU A 110 0.706 -6.635 4.281 1.00 10.00 H new ATOM 0 HD13 LEU A 110 0.372 -8.079 3.297 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -2.674 -8.177 3.927 1.00 10.00 H new ATOM 0 HD22 LEU A 110 -1.585 -9.584 3.923 1.00 10.00 H new ATOM 0 HD23 LEU A 110 -2.549 -9.210 5.371 1.00 10.00 H new ATOM 526 N GLY A 111 1.584 -9.950 8.264 1.00 10.00 N ATOM 527 CA GLY A 111 2.612 -10.868 8.702 1.00 10.00 C ATOM 528 C GLY A 111 4.003 -10.251 8.772 1.00 10.00 C ATOM 529 O GLY A 111 4.844 -10.737 9.525 1.00 10.00 O ATOM 0 H GLY A 111 1.821 -8.964 8.373 1.00 10.00 H new ATOM 0 HA2 GLY A 111 2.346 -11.253 9.687 1.00 10.00 H new ATOM 0 HA3 GLY A 111 2.637 -11.720 8.023 1.00 10.00 H new ATOM 533 N GLN A 112 4.258 -9.192 7.998 1.00 10.00 N ATOM 534 CA GLN A 112 5.533 -8.488 7.993 1.00 10.00 C ATOM 535 C GLN A 112 5.344 -7.144 8.710 1.00 10.00 C ATOM 536 O GLN A 112 5.136 -6.138 8.041 1.00 10.00 O ATOM 537 CB GLN A 112 5.993 -8.283 6.537 1.00 10.00 C ATOM 538 CG GLN A 112 5.880 -9.529 5.647 1.00 10.00 C ATOM 539 CD GLN A 112 6.467 -9.253 4.265 1.00 10.00 C ATOM 540 OE1 GLN A 112 7.468 -9.849 3.879 1.00 10.00 O ATOM 541 NE2 GLN A 112 5.857 -8.340 3.514 1.00 10.00 N ATOM 0 H GLN A 112 3.574 -8.799 7.352 1.00 10.00 H new ATOM 0 HA GLN A 112 6.299 -9.063 8.513 1.00 10.00 H new ATOM 0 HB2 GLN A 112 5.403 -7.481 6.093 1.00 10.00 H new ATOM 0 HB3 GLN A 112 7.031 -7.949 6.542 1.00 10.00 H new ATOM 0 HG2 GLN A 112 6.405 -10.364 6.111 1.00 10.00 H new ATOM 0 HG3 GLN A 112 4.834 -9.822 5.553 1.00 10.00 H new ATOM 0 HE21 GLN A 112 5.027 -7.863 3.865 1.00 10.00 H new ATOM 0 HE22 GLN A 112 6.220 -8.117 2.587 1.00 10.00 H new ATOM 550 N PRO A 113 5.350 -7.073 10.050 1.00 10.00 N ATOM 551 CA PRO A 113 4.945 -5.859 10.740 1.00 10.00 C ATOM 552 C PRO A 113 5.954 -4.729 10.540 1.00 10.00 C ATOM 553 O PRO A 113 7.094 -4.836 10.986 1.00 10.00 O ATOM 554 CB PRO A 113 4.800 -6.253 12.214 1.00 10.00 C ATOM 555 CG PRO A 113 5.757 -7.437 12.356 1.00 10.00 C ATOM 556 CD PRO A 113 5.618 -8.135 11.004 1.00 10.00 C ATOM 0 HA PRO A 113 4.008 -5.468 10.344 1.00 10.00 H new ATOM 0 HB2 PRO A 113 5.073 -5.433 12.878 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.775 -6.533 12.457 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.781 -7.112 12.542 1.00 10.00 H new ATOM 0 HG3 PRO A 113 5.475 -8.091 13.182 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.528 -8.676 10.745 1.00 10.00 H new ATOM 0 HD3 PRO A 113 4.808 -8.864 11.019 1.00 10.00 H new ATOM 564 N LEU A 114 5.530 -3.635 9.893 1.00 10.00 N ATOM 565 CA LEU A 114 6.362 -2.467 9.662 1.00 10.00 C ATOM 566 C LEU A 114 7.580 -2.858 8.809 1.00 10.00 C ATOM 567 O LEU A 114 8.729 -2.728 9.234 1.00 10.00 O ATOM 568 CB LEU A 114 6.717 -1.803 11.007 1.00 10.00 C ATOM 569 CG LEU A 114 6.856 -0.279 10.893 1.00 10.00 C ATOM 570 CD1 LEU A 114 7.293 0.289 12.247 1.00 10.00 C ATOM 571 CD2 LEU A 114 7.867 0.126 9.818 1.00 10.00 C ATOM 0 H LEU A 114 4.587 -3.544 9.515 1.00 10.00 H new ATOM 0 HA LEU A 114 5.822 -1.713 9.089 1.00 10.00 H new ATOM 0 HB2 LEU A 114 5.946 -2.040 11.740 1.00 10.00 H new ATOM 0 HB3 LEU A 114 7.651 -2.223 11.380 1.00 10.00 H new ATOM 0 HG LEU A 114 5.887 0.126 10.603 1.00 10.00 H new ATOM 0 HD11 LEU A 114 7.393 1.372 12.172 1.00 10.00 H new ATOM 0 HD12 LEU A 114 6.546 0.045 13.002 1.00 10.00 H new ATOM 0 HD13 LEU A 114 8.251 -0.145 12.532 1.00 10.00 H new ATOM 0 HD21 LEU A 114 7.933 1.213 9.772 1.00 10.00 H new ATOM 0 HD22 LEU A 114 8.845 -0.287 10.064 1.00 10.00 H new ATOM 0 HD23 LEU A 114 7.544 -0.259 8.851 1.00 10.00 H new ATOM 583 N PRO A 115 7.355 -3.332 7.576 1.00 10.00 N ATOM 584 CA PRO A 115 8.410 -3.906 6.774 1.00 10.00 C ATOM 585 C PRO A 115 9.105 -2.788 6.022 1.00 10.00 C ATOM 586 O PRO A 115 8.890 -2.616 4.825 1.00 10.00 O ATOM 587 CB PRO A 115 7.690 -4.878 5.851 1.00 10.00 C ATOM 588 CG PRO A 115 6.354 -4.183 5.580 1.00 10.00 C ATOM 589 CD PRO A 115 6.094 -3.364 6.849 1.00 10.00 C ATOM 0 HA PRO A 115 9.184 -4.421 7.343 1.00 10.00 H new ATOM 0 HB2 PRO A 115 8.249 -5.048 4.931 1.00 10.00 H new ATOM 0 HB3 PRO A 115 7.549 -5.851 6.322 1.00 10.00 H new ATOM 0 HG2 PRO A 115 6.408 -3.545 4.698 1.00 10.00 H new ATOM 0 HG3 PRO A 115 5.558 -4.906 5.402 1.00 10.00 H new ATOM 0 HD2 PRO A 115 5.762 -2.356 6.601 1.00 10.00 H new ATOM 0 HD3 PRO A 115 5.308 -3.819 7.452 1.00 10.00 H new ATOM 597 N GLN A 116 9.923 -2.020 6.745 1.00 10.00 N ATOM 598 CA GLN A 116 10.547 -0.811 6.239 1.00 10.00 C ATOM 599 C GLN A 116 11.102 -0.987 4.823 1.00 10.00 C ATOM 600 O GLN A 116 10.883 -0.127 3.989 1.00 10.00 O ATOM 601 CB GLN A 116 11.619 -0.302 7.216 1.00 10.00 C ATOM 602 CG GLN A 116 11.134 0.900 8.040 1.00 10.00 C ATOM 603 CD GLN A 116 10.850 2.136 7.187 1.00 10.00 C ATOM 604 OE1 GLN A 116 11.567 2.427 6.238 1.00 10.00 O ATOM 605 NE2 GLN A 116 9.799 2.886 7.515 1.00 10.00 N ATOM 0 H GLN A 116 10.170 -2.230 7.712 1.00 10.00 H new ATOM 0 HA GLN A 116 9.770 -0.050 6.166 1.00 10.00 H new ATOM 0 HB2 GLN A 116 11.906 -1.109 7.890 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.512 -0.020 6.658 1.00 10.00 H new ATOM 0 HG2 GLN A 116 10.228 0.622 8.579 1.00 10.00 H new ATOM 0 HG3 GLN A 116 11.887 1.147 8.788 1.00 10.00 H new ATOM 0 HE21 GLN A 116 9.215 2.626 8.309 1.00 10.00 H new ATOM 0 HE22 GLN A 116 9.579 3.721 6.972 1.00 10.00 H new ATOM 614 N GLU A 117 11.770 -2.106 4.542 1.00 10.00 N ATOM 615 CA GLU A 117 12.326 -2.436 3.230 1.00 10.00 C ATOM 616 C GLU A 117 11.240 -2.621 2.168 1.00 10.00 C ATOM 617 O GLU A 117 11.315 -2.037 1.089 1.00 10.00 O ATOM 618 CB GLU A 117 13.195 -3.694 3.410 1.00 10.00 C ATOM 619 CG GLU A 117 14.498 -3.646 2.608 1.00 10.00 C ATOM 620 CD GLU A 117 15.429 -4.772 3.038 1.00 10.00 C ATOM 621 OE1 GLU A 117 15.875 -4.717 4.205 1.00 10.00 O ATOM 622 OE2 GLU A 117 15.660 -5.676 2.207 1.00 10.00 O ATOM 0 H GLU A 117 11.944 -2.828 5.241 1.00 10.00 H new ATOM 0 HA GLU A 117 12.934 -1.611 2.860 1.00 10.00 H new ATOM 0 HB2 GLU A 117 13.431 -3.817 4.467 1.00 10.00 H new ATOM 0 HB3 GLU A 117 12.622 -4.570 3.107 1.00 10.00 H new ATOM 0 HG2 GLU A 117 14.280 -3.732 1.543 1.00 10.00 H new ATOM 0 HG3 GLU A 117 14.988 -2.684 2.756 1.00 10.00 H new ATOM 629 N GLU A 118 10.220 -3.424 2.467 1.00 10.00 N ATOM 630 CA GLU A 118 9.213 -3.790 1.480 1.00 10.00 C ATOM 631 C GLU A 118 8.380 -2.539 1.198 1.00 10.00 C ATOM 632 O GLU A 118 8.135 -2.146 0.056 1.00 10.00 O ATOM 633 CB GLU A 118 8.398 -4.984 2.019 1.00 10.00 C ATOM 634 CG GLU A 118 8.119 -6.055 0.957 1.00 10.00 C ATOM 635 CD GLU A 118 7.051 -5.625 -0.036 1.00 10.00 C ATOM 636 OE1 GLU A 118 5.872 -5.663 0.371 1.00 10.00 O ATOM 637 OE2 GLU A 118 7.429 -5.277 -1.173 1.00 10.00 O ATOM 0 H GLU A 118 10.072 -3.833 3.389 1.00 10.00 H new ATOM 0 HA GLU A 118 9.642 -4.122 0.534 1.00 10.00 H new ATOM 0 HB2 GLU A 118 8.938 -5.438 2.850 1.00 10.00 H new ATOM 0 HB3 GLU A 118 7.450 -4.619 2.415 1.00 10.00 H new ATOM 0 HG2 GLU A 118 9.041 -6.279 0.420 1.00 10.00 H new ATOM 0 HG3 GLU A 118 7.805 -6.976 1.448 1.00 10.00 H new ATOM 644 N LEU A 119 8.004 -1.848 2.273 1.00 10.00 N ATOM 645 CA LEU A 119 7.278 -0.607 2.148 1.00 10.00 C ATOM 646 C LEU A 119 8.148 0.525 1.605 1.00 10.00 C ATOM 647 O LEU A 119 7.591 1.368 0.933 1.00 10.00 O ATOM 648 CB LEU A 119 6.552 -0.236 3.445 1.00 10.00 C ATOM 649 CG LEU A 119 5.043 0.015 3.231 1.00 10.00 C ATOM 650 CD1 LEU A 119 4.678 1.112 2.225 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.301 -1.271 2.867 1.00 10.00 C ATOM 0 H LEU A 119 8.194 -2.134 3.233 1.00 10.00 H new ATOM 0 HA LEU A 119 6.502 -0.767 1.399 1.00 10.00 H new ATOM 0 HB2 LEU A 119 6.684 -1.037 4.172 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.009 0.658 3.869 1.00 10.00 H new ATOM 0 HG LEU A 119 4.717 0.385 4.203 1.00 10.00 H new ATOM 0 HD11 LEU A 119 3.593 1.198 2.158 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.098 2.062 2.555 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.083 0.857 1.246 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.243 -1.053 2.725 1.00 10.00 H new ATOM 0 HD22 LEU A 119 4.714 -1.681 1.945 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.417 -1.998 3.671 1.00 10.00 H new ATOM 663 N ASP A 120 9.462 0.599 1.855 1.00 10.00 N ATOM 664 CA ASP A 120 10.355 1.576 1.219 1.00 10.00 C ATOM 665 C ASP A 120 10.323 1.364 -0.287 1.00 10.00 C ATOM 666 O ASP A 120 10.063 2.284 -1.062 1.00 10.00 O ATOM 667 CB ASP A 120 11.806 1.468 1.700 1.00 10.00 C ATOM 668 CG ASP A 120 12.699 2.379 0.861 1.00 10.00 C ATOM 669 OD1 ASP A 120 12.641 3.605 1.096 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.397 1.840 -0.024 1.00 10.00 O ATOM 0 H ASP A 120 9.938 -0.022 2.509 1.00 10.00 H new ATOM 0 HA ASP A 120 9.995 2.567 1.494 1.00 10.00 H new ATOM 0 HB2 ASP A 120 11.872 1.747 2.752 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.149 0.436 1.622 1.00 10.00 H new ATOM 675 N ALA A 121 10.553 0.113 -0.679 1.00 10.00 N ATOM 676 CA ALA A 121 10.510 -0.317 -2.059 1.00 10.00 C ATOM 677 C ALA A 121 9.210 0.180 -2.708 1.00 10.00 C ATOM 678 O ALA A 121 9.242 0.898 -3.710 1.00 10.00 O ATOM 679 CB ALA A 121 10.709 -1.837 -2.079 1.00 10.00 C ATOM 0 H ALA A 121 10.778 -0.639 -0.027 1.00 10.00 H new ATOM 0 HA ALA A 121 11.309 0.114 -2.662 1.00 10.00 H new ATOM 0 HB1 ALA A 121 10.682 -2.194 -3.109 1.00 10.00 H new ATOM 0 HB2 ALA A 121 11.673 -2.084 -1.635 1.00 10.00 H new ATOM 0 HB3 ALA A 121 9.914 -2.316 -1.508 1.00 10.00 H new ATOM 685 N MET A 122 8.062 -0.107 -2.086 1.00 10.00 N ATOM 686 CA MET A 122 6.788 0.421 -2.539 1.00 10.00 C ATOM 687 C MET A 122 6.651 1.939 -2.383 1.00 10.00 C ATOM 688 O MET A 122 6.033 2.566 -3.231 1.00 10.00 O ATOM 689 CB MET A 122 5.651 -0.329 -1.848 1.00 10.00 C ATOM 690 CG MET A 122 5.208 -1.545 -2.668 1.00 10.00 C ATOM 691 SD MET A 122 4.320 -1.174 -4.214 1.00 10.00 S ATOM 692 CE MET A 122 5.555 -1.524 -5.489 1.00 10.00 C ATOM 0 H MET A 122 7.998 -0.706 -1.263 1.00 10.00 H new ATOM 0 HA MET A 122 6.734 0.252 -3.614 1.00 10.00 H new ATOM 0 HB2 MET A 122 5.974 -0.653 -0.859 1.00 10.00 H new ATOM 0 HB3 MET A 122 4.805 0.342 -1.703 1.00 10.00 H new ATOM 0 HG2 MET A 122 6.090 -2.137 -2.911 1.00 10.00 H new ATOM 0 HG3 MET A 122 4.568 -2.168 -2.043 1.00 10.00 H new ATOM 0 HE1 MET A 122 5.053 -1.752 -6.429 1.00 10.00 H new ATOM 0 HE2 MET A 122 6.197 -0.653 -5.622 1.00 10.00 H new ATOM 0 HE3 MET A 122 6.160 -2.378 -5.185 1.00 10.00 H new ATOM 702 N ILE A 123 7.202 2.551 -1.334 1.00 10.00 N ATOM 703 CA ILE A 123 7.122 3.983 -1.063 1.00 10.00 C ATOM 704 C ILE A 123 7.704 4.709 -2.276 1.00 10.00 C ATOM 705 O ILE A 123 7.127 5.671 -2.774 1.00 10.00 O ATOM 706 CB ILE A 123 7.854 4.370 0.248 1.00 10.00 C ATOM 707 CG1 ILE A 123 6.917 4.254 1.461 1.00 10.00 C ATOM 708 CG2 ILE A 123 8.413 5.805 0.216 1.00 10.00 C ATOM 709 CD1 ILE A 123 7.670 4.034 2.782 1.00 10.00 C ATOM 0 H ILE A 123 7.734 2.044 -0.627 1.00 10.00 H new ATOM 0 HA ILE A 123 6.083 4.277 -0.910 1.00 10.00 H new ATOM 0 HB ILE A 123 8.684 3.669 0.337 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.317 5.161 1.538 1.00 10.00 H new ATOM 0 HG13 ILE A 123 6.225 3.427 1.301 1.00 10.00 H new ATOM 0 HG21 ILE A 123 8.915 6.021 1.159 1.00 10.00 H new ATOM 0 HG22 ILE A 123 9.125 5.900 -0.604 1.00 10.00 H new ATOM 0 HG23 ILE A 123 7.595 6.511 0.070 1.00 10.00 H new ATOM 0 HD11 ILE A 123 6.954 3.960 3.601 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.249 3.112 2.722 1.00 10.00 H new ATOM 0 HD13 ILE A 123 8.342 4.873 2.962 1.00 10.00 H new ATOM 721 N ARG A 124 8.856 4.231 -2.749 1.00 10.00 N ATOM 722 CA ARG A 124 9.541 4.802 -3.894 1.00 10.00 C ATOM 723 C ARG A 124 8.651 4.747 -5.139 1.00 10.00 C ATOM 724 O ARG A 124 8.543 5.726 -5.872 1.00 10.00 O ATOM 725 CB ARG A 124 10.866 4.057 -4.122 1.00 10.00 C ATOM 726 CG ARG A 124 11.950 5.010 -4.631 1.00 10.00 C ATOM 727 CD ARG A 124 12.599 5.751 -3.449 1.00 10.00 C ATOM 728 NE ARG A 124 13.584 6.746 -3.898 1.00 10.00 N ATOM 729 CZ ARG A 124 14.803 6.464 -4.381 1.00 10.00 C ATOM 730 NH1 ARG A 124 15.204 5.191 -4.478 1.00 10.00 N ATOM 731 NH2 ARG A 124 15.614 7.455 -4.770 1.00 10.00 N ATOM 0 H ARG A 124 9.338 3.430 -2.340 1.00 10.00 H new ATOM 0 HA ARG A 124 9.760 5.851 -3.696 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.192 3.594 -3.191 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.716 3.253 -4.842 1.00 10.00 H new ATOM 0 HG2 ARG A 124 12.708 4.451 -5.180 1.00 10.00 H new ATOM 0 HG3 ARG A 124 11.516 5.728 -5.327 1.00 10.00 H new ATOM 0 HD2 ARG A 124 11.825 6.246 -2.862 1.00 10.00 H new ATOM 0 HD3 ARG A 124 13.085 5.030 -2.792 1.00 10.00 H new ATOM 0 HE ARG A 124 13.319 7.729 -3.837 1.00 10.00 H new ATOM 0 HH11 ARG A 124 14.583 4.437 -4.185 1.00 10.00 H new ATOM 0 HH12 ARG A 124 16.131 4.975 -4.845 1.00 10.00 H new ATOM 0 HH21 ARG A 124 15.305 8.424 -4.699 1.00 10.00 H new ATOM 0 HH22 ARG A 124 16.541 7.241 -5.137 1.00 10.00 H new ATOM 745 N GLU A 125 8.033 3.588 -5.380 1.00 10.00 N ATOM 746 CA GLU A 125 7.131 3.382 -6.508 1.00 10.00 C ATOM 747 C GLU A 125 5.822 4.166 -6.336 1.00 10.00 C ATOM 748 O GLU A 125 5.195 4.565 -7.317 1.00 10.00 O ATOM 749 CB GLU A 125 6.892 1.873 -6.696 1.00 10.00 C ATOM 750 CG GLU A 125 7.448 1.395 -8.041 1.00 10.00 C ATOM 751 CD GLU A 125 7.372 -0.119 -8.163 1.00 10.00 C ATOM 752 OE1 GLU A 125 6.296 -0.596 -8.581 1.00 10.00 O ATOM 753 OE2 GLU A 125 8.383 -0.766 -7.820 1.00 10.00 O ATOM 0 H GLU A 125 8.148 2.763 -4.792 1.00 10.00 H new ATOM 0 HA GLU A 125 7.594 3.772 -7.414 1.00 10.00 H new ATOM 0 HB2 GLU A 125 7.367 1.322 -5.885 1.00 10.00 H new ATOM 0 HB3 GLU A 125 5.824 1.660 -6.643 1.00 10.00 H new ATOM 0 HG2 GLU A 125 6.887 1.856 -8.854 1.00 10.00 H new ATOM 0 HG3 GLU A 125 8.484 1.719 -8.145 1.00 10.00 H new ATOM 760 N ALA A 126 5.402 4.389 -5.090 1.00 10.00 N ATOM 761 CA ALA A 126 4.143 5.006 -4.701 1.00 10.00 C ATOM 762 C ALA A 126 4.140 6.521 -4.926 1.00 10.00 C ATOM 763 O ALA A 126 3.739 7.264 -4.031 1.00 10.00 O ATOM 764 CB ALA A 126 3.882 4.677 -3.222 1.00 10.00 C ATOM 0 H ALA A 126 5.967 4.127 -4.282 1.00 10.00 H new ATOM 0 HA ALA A 126 3.348 4.604 -5.329 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.942 5.131 -2.909 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.824 3.596 -3.095 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.695 5.071 -2.613 1.00 10.00 H new ATOM 770 N ASP A 127 4.516 6.980 -6.122 1.00 10.00 N ATOM 771 CA ASP A 127 4.416 8.382 -6.501 1.00 10.00 C ATOM 772 C ASP A 127 3.632 8.512 -7.804 1.00 10.00 C ATOM 773 O ASP A 127 4.199 8.623 -8.890 1.00 10.00 O ATOM 774 CB ASP A 127 5.801 9.026 -6.600 1.00 10.00 C ATOM 775 CG ASP A 127 5.677 10.524 -6.858 1.00 10.00 C ATOM 776 OD1 ASP A 127 4.588 11.067 -6.557 1.00 10.00 O ATOM 777 OD2 ASP A 127 6.676 11.111 -7.322 1.00 10.00 O ATOM 0 H ASP A 127 4.900 6.383 -6.855 1.00 10.00 H new ATOM 0 HA ASP A 127 3.873 8.921 -5.725 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.355 8.855 -5.677 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.369 8.558 -7.404 1.00 10.00 H new ATOM 782 N VAL A 128 2.307 8.457 -7.689 1.00 10.00 N ATOM 783 CA VAL A 128 1.387 8.680 -8.798 1.00 10.00 C ATOM 784 C VAL A 128 1.169 10.179 -8.992 1.00 10.00 C ATOM 785 O VAL A 128 1.075 10.644 -10.127 1.00 10.00 O ATOM 786 CB VAL A 128 0.078 7.914 -8.519 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.226 8.679 -8.782 1.00 10.00 C ATOM 788 CG2 VAL A 128 0.092 6.547 -9.209 1.00 10.00 C ATOM 0 H VAL A 128 1.836 8.253 -6.807 1.00 10.00 H new ATOM 0 HA VAL A 128 1.801 8.299 -9.732 1.00 10.00 H new ATOM 0 HB VAL A 128 0.067 7.776 -7.438 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.077 8.038 -8.550 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.259 9.568 -8.153 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -1.269 8.974 -9.830 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -0.841 6.024 -8.999 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.197 6.684 -10.285 1.00 10.00 H new ATOM 0 HG23 VAL A 128 0.930 5.959 -8.835 1.00 10.00 H new ATOM 798 N ASP A 129 1.029 10.913 -7.884 1.00 10.00 N ATOM 799 CA ASP A 129 0.722 12.336 -7.901 1.00 10.00 C ATOM 800 C ASP A 129 2.008 13.136 -8.150 1.00 10.00 C ATOM 801 O ASP A 129 2.364 13.379 -9.302 1.00 10.00 O ATOM 802 CB ASP A 129 -0.020 12.664 -6.599 1.00 10.00 C ATOM 803 CG ASP A 129 -0.534 14.088 -6.499 1.00 10.00 C ATOM 804 OD1 ASP A 129 -0.028 14.972 -7.215 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.404 14.283 -5.620 1.00 10.00 O ATOM 0 H ASP A 129 1.128 10.528 -6.945 1.00 10.00 H new ATOM 0 HA ASP A 129 0.060 12.620 -8.719 1.00 10.00 H new ATOM 0 HB2 ASP A 129 -0.863 11.981 -6.496 1.00 10.00 H new ATOM 0 HB3 ASP A 129 0.648 12.474 -5.759 1.00 10.00 H new ATOM 810 N GLN A 130 2.719 13.516 -7.083 1.00 10.00 N ATOM 811 CA GLN A 130 4.032 14.150 -7.135 1.00 10.00 C ATOM 812 C GLN A 130 4.576 14.247 -5.700 1.00 10.00 C ATOM 813 O GLN A 130 5.031 15.309 -5.272 1.00 10.00 O ATOM 814 CB GLN A 130 3.922 15.543 -7.797 1.00 10.00 C ATOM 815 CG GLN A 130 5.212 15.928 -8.536 1.00 10.00 C ATOM 816 CD GLN A 130 5.366 15.230 -9.887 1.00 10.00 C ATOM 817 OE1 GLN A 130 6.389 14.613 -10.164 1.00 10.00 O ATOM 818 NE2 GLN A 130 4.377 15.360 -10.767 1.00 10.00 N ATOM 0 H GLN A 130 2.381 13.384 -6.130 1.00 10.00 H new ATOM 0 HA GLN A 130 4.721 13.559 -7.738 1.00 10.00 H new ATOM 0 HB2 GLN A 130 3.087 15.547 -8.498 1.00 10.00 H new ATOM 0 HB3 GLN A 130 3.703 16.291 -7.035 1.00 10.00 H new ATOM 0 HG2 GLN A 130 5.227 17.007 -8.689 1.00 10.00 H new ATOM 0 HG3 GLN A 130 6.069 15.683 -7.908 1.00 10.00 H new ATOM 0 HE21 GLN A 130 3.535 15.878 -10.515 1.00 10.00 H new ATOM 0 HE22 GLN A 130 4.461 14.942 -11.694 1.00 10.00 H new ATOM 827 N ASP A 131 4.442 13.168 -4.924 1.00 10.00 N ATOM 828 CA ASP A 131 4.574 13.178 -3.471 1.00 10.00 C ATOM 829 C ASP A 131 4.635 11.743 -2.936 1.00 10.00 C ATOM 830 O ASP A 131 5.715 11.169 -2.816 1.00 10.00 O ATOM 831 CB ASP A 131 3.397 13.978 -2.880 1.00 10.00 C ATOM 832 CG ASP A 131 3.236 13.783 -1.380 1.00 10.00 C ATOM 833 OD1 ASP A 131 4.181 14.113 -0.640 1.00 10.00 O ATOM 834 OD2 ASP A 131 2.136 13.309 -1.016 1.00 10.00 O ATOM 0 H ASP A 131 4.234 12.243 -5.301 1.00 10.00 H new ATOM 0 HA ASP A 131 5.503 13.662 -3.171 1.00 10.00 H new ATOM 0 HB2 ASP A 131 3.545 15.038 -3.089 1.00 10.00 H new ATOM 0 HB3 ASP A 131 2.475 13.680 -3.380 1.00 10.00 H new ATOM 839 N GLY A 132 3.475 11.163 -2.613 1.00 10.00 N ATOM 840 CA GLY A 132 3.380 9.840 -2.018 1.00 10.00 C ATOM 841 C GLY A 132 1.947 9.308 -2.082 1.00 10.00 C ATOM 842 O GLY A 132 1.534 8.542 -1.213 1.00 10.00 O ATOM 0 H GLY A 132 2.570 11.609 -2.762 1.00 10.00 H new ATOM 0 HA2 GLY A 132 4.049 9.155 -2.539 1.00 10.00 H new ATOM 0 HA3 GLY A 132 3.710 9.880 -0.980 1.00 10.00 H new ATOM 846 N ARG A 133 1.182 9.738 -3.093 1.00 10.00 N ATOM 847 CA ARG A 133 -0.174 9.268 -3.338 1.00 10.00 C ATOM 848 C ARG A 133 -0.119 8.185 -4.403 1.00 10.00 C ATOM 849 O ARG A 133 0.733 8.243 -5.290 1.00 10.00 O ATOM 850 CB ARG A 133 -1.103 10.396 -3.808 1.00 10.00 C ATOM 851 CG ARG A 133 -1.609 11.286 -2.671 1.00 10.00 C ATOM 852 CD ARG A 133 -0.615 12.381 -2.280 1.00 10.00 C ATOM 853 NE ARG A 133 -0.676 13.548 -3.180 1.00 10.00 N ATOM 854 CZ ARG A 133 -0.341 14.800 -2.835 1.00 10.00 C ATOM 855 NH1 ARG A 133 0.298 15.042 -1.688 1.00 10.00 N ATOM 856 NH2 ARG A 133 -0.664 15.803 -3.652 1.00 10.00 N ATOM 0 H ARG A 133 1.499 10.432 -3.770 1.00 10.00 H new ATOM 0 HA ARG A 133 -0.578 8.883 -2.402 1.00 10.00 H new ATOM 0 HB2 ARG A 133 -0.573 11.013 -4.533 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -1.958 9.960 -4.325 1.00 10.00 H new ATOM 0 HG2 ARG A 133 -2.550 11.748 -2.970 1.00 10.00 H new ATOM 0 HG3 ARG A 133 -1.820 10.667 -1.799 1.00 10.00 H new ATOM 0 HD2 ARG A 133 -0.818 12.703 -1.259 1.00 10.00 H new ATOM 0 HD3 ARG A 133 0.395 11.971 -2.290 1.00 10.00 H new ATOM 0 HE ARG A 133 -0.997 13.391 -4.135 1.00 10.00 H new ATOM 0 HH11 ARG A 133 0.536 14.271 -1.064 1.00 10.00 H new ATOM 0 HH12 ARG A 133 0.548 15.998 -1.435 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -1.158 15.612 -4.524 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -0.417 16.761 -3.405 1.00 10.00 H new ATOM 870 N VAL A 134 -1.040 7.221 -4.306 1.00 10.00 N ATOM 871 CA VAL A 134 -1.188 6.105 -5.214 1.00 10.00 C ATOM 872 C VAL A 134 -2.674 5.803 -5.332 1.00 10.00 C ATOM 873 O VAL A 134 -3.365 5.757 -4.311 1.00 10.00 O ATOM 874 CB VAL A 134 -0.416 4.882 -4.701 1.00 10.00 C ATOM 875 CG1 VAL A 134 0.031 4.034 -5.885 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.837 5.245 -3.916 1.00 10.00 C ATOM 0 H VAL A 134 -1.729 7.207 -3.554 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.777 6.353 -6.193 1.00 10.00 H new ATOM 0 HB VAL A 134 -1.098 4.350 -4.038 1.00 10.00 H new ATOM 0 HG11 VAL A 134 0.580 3.164 -5.523 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -0.843 3.704 -6.447 1.00 10.00 H new ATOM 0 HG13 VAL A 134 0.676 4.626 -6.534 1.00 10.00 H new ATOM 0 HG21 VAL A 134 1.334 4.334 -3.583 1.00 10.00 H new ATOM 0 HG22 VAL A 134 1.513 5.815 -4.553 1.00 10.00 H new ATOM 0 HG23 VAL A 134 0.562 5.846 -3.049 1.00 10.00 H new ATOM 886 N ASN A 135 -3.170 5.622 -6.561 1.00 10.00 N ATOM 887 CA ASN A 135 -4.514 5.112 -6.777 1.00 10.00 C ATOM 888 C ASN A 135 -4.573 3.755 -6.086 1.00 10.00 C ATOM 889 O ASN A 135 -3.852 2.839 -6.475 1.00 10.00 O ATOM 890 CB ASN A 135 -4.816 4.964 -8.279 1.00 10.00 C ATOM 891 CG ASN A 135 -5.718 6.058 -8.847 1.00 10.00 C ATOM 892 OD1 ASN A 135 -6.595 6.577 -8.169 1.00 10.00 O ATOM 893 ND2 ASN A 135 -5.533 6.399 -10.119 1.00 10.00 N ATOM 0 H ASN A 135 -2.654 5.824 -7.418 1.00 10.00 H new ATOM 0 HA ASN A 135 -5.258 5.798 -6.373 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -3.875 4.963 -8.829 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -5.286 3.996 -8.450 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -6.128 7.107 -10.549 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -4.796 5.953 -10.665 1.00 10.00 H new ATOM 900 N TYR A 136 -5.389 3.656 -5.041 1.00 10.00 N ATOM 901 CA TYR A 136 -5.490 2.500 -4.161 1.00 10.00 C ATOM 902 C TYR A 136 -5.534 1.172 -4.923 1.00 10.00 C ATOM 903 O TYR A 136 -4.777 0.258 -4.613 1.00 10.00 O ATOM 904 CB TYR A 136 -6.647 2.728 -3.196 1.00 10.00 C ATOM 905 CG TYR A 136 -7.665 1.629 -3.129 1.00 10.00 C ATOM 906 CD1 TYR A 136 -7.360 0.440 -2.452 1.00 10.00 C ATOM 907 CD2 TYR A 136 -8.895 1.776 -3.783 1.00 10.00 C ATOM 908 CE1 TYR A 136 -8.282 -0.610 -2.453 1.00 10.00 C ATOM 909 CE2 TYR A 136 -9.878 0.792 -3.641 1.00 10.00 C ATOM 910 CZ TYR A 136 -9.568 -0.421 -2.994 1.00 10.00 C ATOM 911 OH TYR A 136 -10.452 -1.458 -3.030 1.00 10.00 O ATOM 0 H TYR A 136 -6.023 4.410 -4.775 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.580 2.403 -3.568 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -6.238 2.881 -2.197 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -7.154 3.651 -3.477 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -6.419 0.336 -1.933 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -9.083 2.646 -4.395 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -8.008 -1.569 -2.038 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -10.873 0.961 -4.026 1.00 10.00 H new ATOM 0 HH TYR A 136 -10.007 -2.278 -2.731 1.00 10.00 H new ATOM 921 N GLU A 137 -6.409 1.064 -5.925 1.00 10.00 N ATOM 922 CA GLU A 137 -6.504 -0.155 -6.710 1.00 10.00 C ATOM 923 C GLU A 137 -5.278 -0.292 -7.616 1.00 10.00 C ATOM 924 O GLU A 137 -4.559 -1.286 -7.538 1.00 10.00 O ATOM 925 CB GLU A 137 -7.837 -0.189 -7.464 1.00 10.00 C ATOM 926 CG GLU A 137 -8.001 -1.511 -8.225 1.00 10.00 C ATOM 927 CD GLU A 137 -9.469 -1.870 -8.404 1.00 10.00 C ATOM 928 OE1 GLU A 137 -10.151 -1.116 -9.130 1.00 10.00 O ATOM 929 OE2 GLU A 137 -9.880 -2.882 -7.798 1.00 10.00 O ATOM 0 H GLU A 137 -7.054 1.803 -6.206 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.499 -1.028 -6.057 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.661 -0.065 -6.761 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -7.886 0.646 -8.163 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -7.522 -1.432 -9.201 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -7.493 -2.309 -7.684 1.00 10.00 H new ATOM 936 N GLU A 138 -5.019 0.719 -8.453 1.00 10.00 N ATOM 937 CA GLU A 138 -3.929 0.711 -9.430 1.00 10.00 C ATOM 938 C GLU A 138 -2.604 0.267 -8.787 1.00 10.00 C ATOM 939 O GLU A 138 -1.896 -0.568 -9.340 1.00 10.00 O ATOM 940 CB GLU A 138 -3.814 2.092 -10.095 1.00 10.00 C ATOM 941 CG GLU A 138 -3.166 2.022 -11.485 1.00 10.00 C ATOM 942 CD GLU A 138 -4.101 1.438 -12.537 1.00 10.00 C ATOM 943 OE1 GLU A 138 -5.171 2.051 -12.736 1.00 10.00 O ATOM 944 OE2 GLU A 138 -3.717 0.403 -13.129 1.00 10.00 O ATOM 0 H GLU A 138 -5.570 1.577 -8.469 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.157 -0.020 -10.206 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -4.807 2.534 -10.182 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -3.226 2.752 -9.456 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -2.861 3.023 -11.791 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -2.262 1.416 -11.431 1.00 10.00 H new ATOM 951 N PHE A 139 -2.304 0.782 -7.588 1.00 10.00 N ATOM 952 CA PHE A 139 -1.195 0.359 -6.731 1.00 10.00 C ATOM 953 C PHE A 139 -0.942 -1.142 -6.809 1.00 10.00 C ATOM 954 O PHE A 139 0.188 -1.600 -6.989 1.00 10.00 O ATOM 955 CB PHE A 139 -1.497 0.770 -5.279 1.00 10.00 C ATOM 956 CG PHE A 139 -0.460 0.342 -4.255 1.00 10.00 C ATOM 957 CD1 PHE A 139 -0.354 -1.012 -3.899 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.403 1.273 -3.654 1.00 10.00 C ATOM 959 CE1 PHE A 139 0.712 -1.451 -3.106 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.472 0.840 -2.856 1.00 10.00 C ATOM 961 CZ PHE A 139 1.601 -0.521 -2.544 1.00 10.00 C ATOM 0 H PHE A 139 -2.852 1.536 -7.174 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.289 0.852 -7.084 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -1.597 1.855 -5.239 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.461 0.350 -4.993 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -1.098 -1.717 -4.239 1.00 10.00 H new ATOM 0 HD2 PHE A 139 0.242 2.330 -3.807 1.00 10.00 H new ATOM 0 HE1 PHE A 139 0.851 -2.507 -2.926 1.00 10.00 H new ATOM 0 HE2 PHE A 139 2.193 1.552 -2.483 1.00 10.00 H new ATOM 0 HZ PHE A 139 2.381 -0.852 -1.874 1.00 10.00 H new ATOM 971 N ALA A 140 -2.010 -1.914 -6.621 1.00 10.00 N ATOM 972 CA ALA A 140 -1.941 -3.356 -6.550 1.00 10.00 C ATOM 973 C ALA A 140 -1.395 -3.927 -7.853 1.00 10.00 C ATOM 974 O ALA A 140 -0.688 -4.929 -7.835 1.00 10.00 O ATOM 975 CB ALA A 140 -3.337 -3.885 -6.248 1.00 10.00 C ATOM 0 H ALA A 140 -2.954 -1.543 -6.513 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.260 -3.666 -5.757 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -3.309 -4.973 -6.190 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -3.682 -3.479 -5.297 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.021 -3.582 -7.041 1.00 10.00 H new ATOM 981 N ARG A 141 -1.704 -3.273 -8.974 1.00 10.00 N ATOM 982 CA ARG A 141 -1.168 -3.602 -10.280 1.00 10.00 C ATOM 983 C ARG A 141 0.346 -3.391 -10.274 1.00 10.00 C ATOM 984 O ARG A 141 1.088 -4.263 -10.723 1.00 10.00 O ATOM 985 CB ARG A 141 -1.877 -2.748 -11.347 1.00 10.00 C ATOM 986 CG ARG A 141 -2.267 -3.557 -12.593 1.00 10.00 C ATOM 987 CD ARG A 141 -1.090 -3.888 -13.520 1.00 10.00 C ATOM 988 NE ARG A 141 -0.789 -2.764 -14.417 1.00 10.00 N ATOM 989 CZ ARG A 141 0.020 -2.845 -15.487 1.00 10.00 C ATOM 990 NH1 ARG A 141 0.726 -3.955 -15.726 1.00 10.00 N ATOM 991 NH2 ARG A 141 0.105 -1.806 -16.327 1.00 10.00 N ATOM 0 H ARG A 141 -2.349 -2.483 -8.991 1.00 10.00 H new ATOM 0 HA ARG A 141 -1.350 -4.649 -10.521 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -2.772 -2.303 -10.913 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.224 -1.927 -11.642 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -2.738 -4.487 -12.276 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -3.013 -2.998 -13.157 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -0.210 -4.127 -12.923 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -1.326 -4.774 -14.109 1.00 10.00 H new ATOM 0 HE ARG A 141 -1.222 -1.863 -14.214 1.00 10.00 H new ATOM 0 HH11 ARG A 141 0.654 -4.752 -15.093 1.00 10.00 H new ATOM 0 HH12 ARG A 141 1.337 -4.005 -16.541 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -0.441 -0.963 -16.152 1.00 10.00 H new ATOM 0 HH22 ARG A 141 0.716 -1.858 -17.142 1.00 10.00 H new ATOM 1005 N MET A 142 0.821 -2.252 -9.750 1.00 10.00 N ATOM 1006 CA MET A 142 2.258 -2.039 -9.652 1.00 10.00 C ATOM 1007 C MET A 142 2.914 -3.100 -8.765 1.00 10.00 C ATOM 1008 O MET A 142 3.814 -3.778 -9.245 1.00 10.00 O ATOM 1009 CB MET A 142 2.654 -0.627 -9.217 1.00 10.00 C ATOM 1010 CG MET A 142 2.230 0.474 -10.196 1.00 10.00 C ATOM 1011 SD MET A 142 0.612 1.218 -9.883 1.00 10.00 S ATOM 1012 CE MET A 142 0.497 2.350 -11.285 1.00 10.00 C ATOM 0 H MET A 142 0.244 -1.488 -9.398 1.00 10.00 H new ATOM 0 HA MET A 142 2.640 -2.146 -10.667 1.00 10.00 H new ATOM 0 HB2 MET A 142 2.211 -0.421 -8.242 1.00 10.00 H new ATOM 0 HB3 MET A 142 3.736 -0.588 -9.090 1.00 10.00 H new ATOM 0 HG2 MET A 142 2.982 1.262 -10.176 1.00 10.00 H new ATOM 0 HG3 MET A 142 2.230 0.059 -11.204 1.00 10.00 H new ATOM 0 HE1 MET A 142 -0.441 2.903 -11.230 1.00 10.00 H new ATOM 0 HE2 MET A 142 1.332 3.050 -11.257 1.00 10.00 H new ATOM 0 HE3 MET A 142 0.530 1.782 -12.215 1.00 10.00 H new ATOM 1022 N LEU A 143 2.486 -3.302 -7.509 1.00 10.00 N ATOM 1023 CA LEU A 143 3.114 -4.303 -6.668 1.00 10.00 C ATOM 1024 C LEU A 143 3.019 -5.699 -7.314 1.00 10.00 C ATOM 1025 O LEU A 143 4.020 -6.410 -7.390 1.00 10.00 O ATOM 1026 CB LEU A 143 2.556 -4.217 -5.236 1.00 10.00 C ATOM 1027 CG LEU A 143 3.631 -4.651 -4.228 1.00 10.00 C ATOM 1028 CD1 LEU A 143 3.199 -4.473 -2.779 1.00 10.00 C ATOM 1029 CD2 LEU A 143 4.028 -6.109 -4.412 1.00 10.00 C ATOM 0 H LEU A 143 1.721 -2.790 -7.070 1.00 10.00 H new ATOM 0 HA LEU A 143 4.182 -4.104 -6.582 1.00 10.00 H new ATOM 0 HB2 LEU A 143 2.235 -3.197 -5.022 1.00 10.00 H new ATOM 0 HB3 LEU A 143 1.677 -4.854 -5.140 1.00 10.00 H new ATOM 0 HG LEU A 143 4.478 -3.996 -4.433 1.00 10.00 H new ATOM 0 HD11 LEU A 143 4.002 -4.797 -2.117 1.00 10.00 H new ATOM 0 HD12 LEU A 143 2.977 -3.422 -2.592 1.00 10.00 H new ATOM 0 HD13 LEU A 143 2.308 -5.072 -2.589 1.00 10.00 H new ATOM 0 HD21 LEU A 143 4.790 -6.374 -3.679 1.00 10.00 H new ATOM 0 HD22 LEU A 143 3.154 -6.745 -4.272 1.00 10.00 H new ATOM 0 HD23 LEU A 143 4.425 -6.254 -5.417 1.00 10.00 H new ATOM 1041 N ALA A 144 1.851 -6.097 -7.837 1.00 10.00 N ATOM 1042 CA ALA A 144 1.742 -7.307 -8.648 1.00 10.00 C ATOM 1043 C ALA A 144 2.799 -7.370 -9.756 1.00 10.00 C ATOM 1044 O ALA A 144 3.255 -8.462 -10.087 1.00 10.00 O ATOM 1045 CB ALA A 144 0.350 -7.408 -9.275 1.00 10.00 C ATOM 0 H ALA A 144 0.972 -5.596 -7.710 1.00 10.00 H new ATOM 0 HA ALA A 144 1.912 -8.147 -7.975 1.00 10.00 H new ATOM 0 HB1 ALA A 144 0.287 -8.315 -9.876 1.00 10.00 H new ATOM 0 HB2 ALA A 144 -0.402 -7.441 -8.487 1.00 10.00 H new ATOM 0 HB3 ALA A 144 0.173 -6.540 -9.910 1.00 10.00 H new