USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 621 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 20 LYS NZ :NH3+ -147:sc= 0.98 (180deg=0.0876) USER MOD Set 1.2: A 88 THR OG1 : rot 85:sc= 2.16 USER MOD Set 2.1: A 78 HIS : no HE2:sc= -0.0575 K(o=1.3,f=-6.4!) USER MOD Set 2.2: B 208 THR OG1 : rot 105:sc= 1.38 USER MOD Set 3.1: A 69 ASN : amide:sc= 1.06 K(o=0.051,f=-7.2!) USER MOD Set 3.2: A 93 HIS : no HD1:sc= -1.01 K(o=0.051,f=0.79) USER MOD Single : A 13 THR OG1 : rot -18:sc= 0.169 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -10:sc= 0.354 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -37:sc= 0.344 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00576) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 84 THR OG1 : rot 73:sc= 0.325 USER MOD Single : A 87 ASN : amide:sc= 1.03 K(o=1,f=-0.94) USER MOD Single : A 90 GLN : amide:sc=-0.00248 K(o=-0.0025,f=-0.91) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 SER OG : rot 41:sc= 0.0213 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -7.182 -7.668 -5.794 1.00 0.00 N ATOM 74 CA THR A 13 -6.212 -6.617 -5.821 1.00 0.00 C ATOM 75 C THR A 13 -6.837 -5.327 -6.227 1.00 0.00 C ATOM 76 O THR A 13 -7.389 -5.175 -7.316 1.00 0.00 O ATOM 77 CB THR A 13 -5.003 -6.836 -6.682 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.311 -7.524 -7.886 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.993 -7.689 -5.897 1.00 0.00 C ATOM 0 HA THR A 13 -5.850 -6.599 -4.793 1.00 0.00 H new ATOM 0 HB THR A 13 -4.602 -5.856 -6.942 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.179 -7.970 -7.795 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.107 -7.858 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.709 -7.167 -4.983 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.446 -8.647 -5.642 1.00 0.00 H new ATOM 87 N PHE A 14 -6.766 -4.324 -5.333 1.00 0.00 N ATOM 88 CA PHE A 14 -7.335 -3.026 -5.520 1.00 0.00 C ATOM 89 C PHE A 14 -6.210 -2.062 -5.685 1.00 0.00 C ATOM 90 O PHE A 14 -5.394 -1.872 -4.783 1.00 0.00 O ATOM 91 CB PHE A 14 -8.328 -2.532 -4.455 1.00 0.00 C ATOM 92 CG PHE A 14 -8.130 -2.959 -3.042 1.00 0.00 C ATOM 93 CD1 PHE A 14 -8.075 -4.280 -2.666 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.110 -2.012 -2.045 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.859 -4.646 -1.358 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.871 -2.357 -0.735 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.729 -3.680 -0.387 1.00 0.00 C ATOM 0 H PHE A 14 -6.289 -4.424 -4.437 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.965 -3.101 -6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.320 -1.442 -4.475 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.325 -2.849 -4.760 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.204 -5.048 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.286 -0.976 -2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.791 -5.691 -1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.795 -1.589 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.518 -3.957 0.635 1.00 0.00 H new ATOM 107 N GLU A 15 -6.124 -1.410 -6.858 1.00 0.00 N ATOM 108 CA GLU A 15 -5.221 -0.322 -7.071 1.00 0.00 C ATOM 109 C GLU A 15 -5.897 0.960 -6.728 1.00 0.00 C ATOM 110 O GLU A 15 -6.569 1.616 -7.521 1.00 0.00 O ATOM 111 CB GLU A 15 -4.607 -0.354 -8.481 1.00 0.00 C ATOM 112 CG GLU A 15 -3.138 0.058 -8.366 1.00 0.00 C ATOM 113 CD GLU A 15 -2.286 -0.147 -9.611 1.00 0.00 C ATOM 114 OE1 GLU A 15 -2.752 -0.770 -10.601 1.00 0.00 O ATOM 115 OE2 GLU A 15 -1.109 0.298 -9.578 1.00 0.00 O ATOM 0 H GLU A 15 -6.692 -1.642 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.366 -0.420 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.690 -1.352 -8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.142 0.324 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.098 1.112 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.688 -0.502 -7.546 1.00 0.00 H new ATOM 122 N VAL A 16 -5.770 1.324 -5.440 1.00 0.00 N ATOM 123 CA VAL A 16 -6.259 2.530 -4.847 1.00 0.00 C ATOM 124 C VAL A 16 -5.328 3.638 -5.201 1.00 0.00 C ATOM 125 O VAL A 16 -4.139 3.395 -5.407 1.00 0.00 O ATOM 126 CB VAL A 16 -6.301 2.325 -3.362 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.873 3.558 -2.642 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.165 1.105 -3.003 1.00 0.00 C ATOM 0 H VAL A 16 -5.290 0.731 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.257 2.781 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.274 2.161 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.890 3.377 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.248 4.426 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.887 3.747 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.181 0.976 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.181 1.260 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.746 0.213 -3.469 1.00 0.00 H new ATOM 138 N GLU A 17 -5.780 4.899 -5.307 1.00 0.00 N ATOM 139 CA GLU A 17 -4.916 6.036 -5.401 1.00 0.00 C ATOM 140 C GLU A 17 -5.426 7.113 -4.507 1.00 0.00 C ATOM 141 O GLU A 17 -6.614 7.432 -4.492 1.00 0.00 O ATOM 142 CB GLU A 17 -4.711 6.501 -6.852 1.00 0.00 C ATOM 143 CG GLU A 17 -5.520 7.703 -7.347 1.00 0.00 C ATOM 144 CD GLU A 17 -5.370 7.916 -8.847 1.00 0.00 C ATOM 145 OE1 GLU A 17 -5.732 7.004 -9.638 1.00 0.00 O ATOM 146 OE2 GLU A 17 -4.910 9.012 -9.266 1.00 0.00 O ATOM 0 H GLU A 17 -6.772 5.136 -5.328 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.920 5.753 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.654 6.735 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.933 5.658 -7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.573 7.555 -7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.195 8.600 -6.820 1.00 0.00 H new ATOM 153 N LEU A 18 -4.538 7.688 -3.677 1.00 0.00 N ATOM 154 CA LEU A 18 -4.946 8.704 -2.757 1.00 0.00 C ATOM 155 C LEU A 18 -3.808 9.582 -2.365 1.00 0.00 C ATOM 156 O LEU A 18 -2.638 9.271 -2.575 1.00 0.00 O ATOM 157 CB LEU A 18 -5.585 8.159 -1.469 1.00 0.00 C ATOM 158 CG LEU A 18 -4.713 7.279 -0.558 1.00 0.00 C ATOM 159 CD1 LEU A 18 -5.272 7.370 0.873 1.00 0.00 C ATOM 160 CD2 LEU A 18 -4.713 5.813 -1.022 1.00 0.00 C ATOM 0 H LEU A 18 -3.546 7.453 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.701 9.271 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.934 9.008 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.466 7.582 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.684 7.635 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.669 6.753 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.241 8.406 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.303 7.016 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.087 5.220 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.732 5.425 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.321 5.753 -2.037 1.00 0.00 H new ATOM 172 N ALA A 19 -4.149 10.732 -1.756 1.00 0.00 N ATOM 173 CA ALA A 19 -3.223 11.626 -1.133 1.00 0.00 C ATOM 174 C ALA A 19 -3.223 11.426 0.344 1.00 0.00 C ATOM 175 O ALA A 19 -4.265 11.354 0.994 1.00 0.00 O ATOM 176 CB ALA A 19 -3.559 13.076 -1.522 1.00 0.00 C ATOM 0 H ALA A 19 -5.115 11.053 -1.695 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.214 11.413 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.851 13.754 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.495 13.187 -2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.570 13.316 -1.192 1.00 0.00 H new ATOM 182 N LYS A 20 -2.018 11.327 0.931 1.00 0.00 N ATOM 183 CA LYS A 20 -1.758 11.190 2.331 1.00 0.00 C ATOM 184 C LYS A 20 -2.058 12.437 3.088 1.00 0.00 C ATOM 185 O LYS A 20 -2.230 13.516 2.522 1.00 0.00 O ATOM 186 CB LYS A 20 -0.291 10.782 2.540 1.00 0.00 C ATOM 187 CG LYS A 20 0.650 11.458 1.540 1.00 0.00 C ATOM 188 CD LYS A 20 2.142 11.259 1.818 1.00 0.00 C ATOM 189 CE LYS A 20 2.702 10.056 1.058 1.00 0.00 C ATOM 190 NZ LYS A 20 4.105 9.787 1.445 1.00 0.00 N ATOM 0 H LYS A 20 -1.158 11.344 0.383 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.420 10.416 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.014 11.040 3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.201 9.700 2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.428 11.079 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.437 12.527 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.689 12.157 1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.298 11.119 2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.091 9.177 1.261 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.647 10.242 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.625 9.413 0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.552 10.670 1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.125 9.089 2.216 1.00 0.00 H new ATOM 204 N THR A 21 -2.166 12.342 4.426 1.00 0.00 N ATOM 205 CA THR A 21 -2.470 13.446 5.284 1.00 0.00 C ATOM 206 C THR A 21 -1.300 13.724 6.165 1.00 0.00 C ATOM 207 O THR A 21 -1.072 13.079 7.187 1.00 0.00 O ATOM 208 CB THR A 21 -3.774 13.282 6.006 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.074 14.372 6.865 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.883 11.984 6.823 1.00 0.00 C ATOM 0 H THR A 21 -2.037 11.464 4.929 1.00 0.00 H new ATOM 0 HA THR A 21 -2.634 14.337 4.678 1.00 0.00 H new ATOM 0 HB THR A 21 -4.501 13.241 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.934 14.213 7.308 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.856 11.943 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.775 11.126 6.159 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.096 11.961 7.576 1.00 0.00 H new ATOM 218 N ASP A 22 -0.469 14.700 5.762 1.00 0.00 N ATOM 219 CA ASP A 22 0.714 15.152 6.426 1.00 0.00 C ATOM 220 C ASP A 22 1.703 14.090 6.763 1.00 0.00 C ATOM 221 O ASP A 22 2.132 13.934 7.904 1.00 0.00 O ATOM 222 CB ASP A 22 0.367 16.054 7.623 1.00 0.00 C ATOM 223 CG ASP A 22 -0.181 17.402 7.176 1.00 0.00 C ATOM 224 OD1 ASP A 22 -0.134 17.736 5.962 1.00 0.00 O ATOM 225 OD2 ASP A 22 -0.635 18.176 8.060 1.00 0.00 O ATOM 0 H ASP A 22 -0.640 15.216 4.899 1.00 0.00 H new ATOM 0 HA ASP A 22 1.245 15.756 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.368 15.554 8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.258 16.208 8.232 1.00 0.00 H new ATOM 230 N GLY A 23 2.130 13.318 5.748 1.00 0.00 N ATOM 231 CA GLY A 23 3.090 12.269 5.903 1.00 0.00 C ATOM 232 C GLY A 23 2.556 11.054 6.580 1.00 0.00 C ATOM 233 O GLY A 23 3.165 10.527 7.509 1.00 0.00 O ATOM 0 H GLY A 23 1.797 13.427 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.468 11.988 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.938 12.648 6.474 1.00 0.00 H new ATOM 237 N SER A 24 1.389 10.556 6.132 1.00 0.00 N ATOM 238 CA SER A 24 0.731 9.419 6.695 1.00 0.00 C ATOM 239 C SER A 24 -0.502 9.179 5.893 1.00 0.00 C ATOM 240 O SER A 24 -1.400 10.015 5.795 1.00 0.00 O ATOM 241 CB SER A 24 0.356 9.435 8.186 1.00 0.00 C ATOM 242 OG SER A 24 -0.414 10.566 8.566 1.00 0.00 O ATOM 0 H SER A 24 0.884 10.963 5.345 1.00 0.00 H new ATOM 0 HA SER A 24 1.480 8.628 6.649 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.203 8.529 8.421 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.268 9.410 8.782 1.00 0.00 H new ATOM 0 HG SER A 24 -0.424 11.216 7.833 1.00 0.00 H new ATOM 248 N LEU A 25 -0.562 7.982 5.282 1.00 0.00 N ATOM 249 CA LEU A 25 -1.723 7.359 4.725 1.00 0.00 C ATOM 250 C LEU A 25 -2.531 6.867 5.876 1.00 0.00 C ATOM 251 O LEU A 25 -3.759 6.941 5.920 1.00 0.00 O ATOM 252 CB LEU A 25 -1.222 6.162 3.899 1.00 0.00 C ATOM 253 CG LEU A 25 -0.123 6.472 2.871 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.670 5.193 2.553 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.669 7.185 1.622 1.00 0.00 C ATOM 0 H LEU A 25 0.271 7.404 5.169 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.316 8.029 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.847 5.402 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.072 5.726 3.374 1.00 0.00 H new ATOM 0 HG LEU A 25 0.573 7.187 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.448 5.419 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.128 4.813 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.003 4.440 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.149 7.381 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.412 6.552 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.131 8.128 1.914 1.00 0.00 H new ATOM 267 N GLY A 26 -1.815 6.363 6.896 1.00 0.00 N ATOM 268 CA GLY A 26 -2.334 6.041 8.189 1.00 0.00 C ATOM 269 C GLY A 26 -2.131 4.597 8.498 1.00 0.00 C ATOM 270 O GLY A 26 -2.801 4.044 9.369 1.00 0.00 O ATOM 0 H GLY A 26 -0.817 6.169 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.842 6.652 8.946 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.397 6.280 8.229 1.00 0.00 H new ATOM 274 N ILE A 27 -1.220 3.913 7.783 1.00 0.00 N ATOM 275 CA ILE A 27 -1.025 2.510 7.982 1.00 0.00 C ATOM 276 C ILE A 27 0.270 2.255 8.675 1.00 0.00 C ATOM 277 O ILE A 27 1.328 2.768 8.316 1.00 0.00 O ATOM 278 CB ILE A 27 -1.220 1.709 6.729 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.354 2.229 5.569 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.726 1.752 6.422 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.413 1.338 4.329 1.00 0.00 C ATOM 0 H ILE A 27 -0.621 4.329 7.070 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.811 2.150 8.647 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.892 0.678 6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.680 3.234 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.681 2.308 5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.929 1.182 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.280 1.318 7.255 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.039 2.786 6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.219 1.760 3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.059 0.339 4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.441 1.279 3.972 1.00 0.00 H new ATOM 293 N SER A 28 0.185 1.458 9.755 1.00 0.00 N ATOM 294 CA SER A 28 1.309 0.972 10.494 1.00 0.00 C ATOM 295 C SER A 28 1.843 -0.280 9.886 1.00 0.00 C ATOM 296 O SER A 28 1.174 -1.312 9.893 1.00 0.00 O ATOM 297 CB SER A 28 0.977 0.635 11.957 1.00 0.00 C ATOM 298 OG SER A 28 0.811 1.823 12.718 1.00 0.00 O ATOM 0 H SER A 28 -0.708 1.138 10.130 1.00 0.00 H new ATOM 0 HA SER A 28 2.036 1.784 10.464 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.066 0.038 12.001 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.775 0.030 12.387 1.00 0.00 H new ATOM 0 HG SER A 28 0.599 1.590 13.646 1.00 0.00 H new ATOM 304 N VAL A 29 3.071 -0.244 9.338 1.00 0.00 N ATOM 305 CA VAL A 29 3.600 -1.327 8.570 1.00 0.00 C ATOM 306 C VAL A 29 4.261 -2.429 9.324 1.00 0.00 C ATOM 307 O VAL A 29 5.105 -2.229 10.196 1.00 0.00 O ATOM 308 CB VAL A 29 4.475 -0.813 7.465 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.614 0.079 6.556 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.699 -0.049 7.998 1.00 0.00 C ATOM 0 H VAL A 29 3.706 0.549 9.430 1.00 0.00 H new ATOM 0 HA VAL A 29 2.716 -1.813 8.157 1.00 0.00 H new ATOM 0 HB VAL A 29 4.874 -1.656 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.226 0.467 5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.792 -0.507 6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.213 0.910 7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.301 0.303 7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.366 0.804 8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.298 -0.712 8.622 1.00 0.00 H new ATOM 320 N THR A 30 3.896 -3.685 9.010 1.00 0.00 N ATOM 321 CA THR A 30 4.427 -4.898 9.549 1.00 0.00 C ATOM 322 C THR A 30 4.887 -5.805 8.460 1.00 0.00 C ATOM 323 O THR A 30 4.555 -5.647 7.286 1.00 0.00 O ATOM 324 CB THR A 30 3.460 -5.609 10.448 1.00 0.00 C ATOM 325 OG1 THR A 30 3.947 -6.812 11.022 1.00 0.00 O ATOM 326 CG2 THR A 30 2.154 -5.958 9.715 1.00 0.00 C ATOM 0 H THR A 30 3.167 -3.865 8.320 1.00 0.00 H new ATOM 0 HA THR A 30 5.282 -4.615 10.163 1.00 0.00 H new ATOM 0 HB THR A 30 3.294 -4.891 11.251 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.254 -7.206 11.592 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.479 -6.472 10.399 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.681 -5.043 9.358 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.375 -6.607 8.867 1.00 0.00 H new ATOM 334 N GLY A 31 5.681 -6.824 8.833 1.00 0.00 N ATOM 335 CA GLY A 31 6.157 -7.871 7.982 1.00 0.00 C ATOM 336 C GLY A 31 7.428 -7.547 7.275 1.00 0.00 C ATOM 337 O GLY A 31 8.384 -7.034 7.854 1.00 0.00 O ATOM 0 H GLY A 31 6.012 -6.923 9.793 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.304 -8.771 8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.390 -8.101 7.242 1.00 0.00 H new ATOM 341 N GLY A 32 7.478 -7.883 5.973 1.00 0.00 N ATOM 342 CA GLY A 32 8.608 -7.676 5.123 1.00 0.00 C ATOM 343 C GLY A 32 9.612 -8.776 5.153 1.00 0.00 C ATOM 344 O GLY A 32 9.504 -9.736 5.914 1.00 0.00 O ATOM 0 H GLY A 32 6.692 -8.320 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.258 -7.548 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.098 -6.746 5.411 1.00 0.00 H new ATOM 348 N VAL A 33 10.663 -8.659 4.320 1.00 0.00 N ATOM 349 CA VAL A 33 11.671 -9.635 4.048 1.00 0.00 C ATOM 350 C VAL A 33 12.475 -10.067 5.226 1.00 0.00 C ATOM 351 O VAL A 33 13.113 -11.119 5.233 1.00 0.00 O ATOM 352 CB VAL A 33 12.552 -9.178 2.923 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.546 -8.084 3.346 1.00 0.00 C ATOM 354 CG2 VAL A 33 13.291 -10.360 2.274 1.00 0.00 C ATOM 0 H VAL A 33 10.818 -7.801 3.790 1.00 0.00 H new ATOM 0 HA VAL A 33 11.129 -10.533 3.751 1.00 0.00 H new ATOM 0 HB VAL A 33 11.888 -8.733 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.155 -7.795 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.998 -7.216 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.191 -8.465 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.920 -9.994 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.912 -10.855 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.565 -11.070 1.878 1.00 0.00 H new ATOM 467 N GLY A 41 7.504 -7.827 0.570 1.00 0.00 N ATOM 468 CA GLY A 41 6.363 -6.966 0.589 1.00 0.00 C ATOM 469 C GLY A 41 6.251 -6.106 1.802 1.00 0.00 C ATOM 470 O GLY A 41 7.200 -5.982 2.574 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.394 -6.325 -0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.463 -7.576 0.508 1.00 0.00 H new ATOM 474 N ILE A 42 5.074 -5.504 2.045 1.00 0.00 N ATOM 475 CA ILE A 42 4.769 -5.012 3.353 1.00 0.00 C ATOM 476 C ILE A 42 3.306 -5.197 3.572 1.00 0.00 C ATOM 477 O ILE A 42 2.568 -5.524 2.643 1.00 0.00 O ATOM 478 CB ILE A 42 5.334 -3.658 3.661 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.748 -3.504 5.135 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.429 -2.470 3.291 1.00 0.00 C ATOM 481 CD1 ILE A 42 7.010 -4.270 5.527 1.00 0.00 C ATOM 0 H ILE A 42 4.343 -5.359 1.348 1.00 0.00 H new ATOM 0 HA ILE A 42 5.295 -5.597 4.108 1.00 0.00 H new ATOM 0 HB ILE A 42 6.211 -3.619 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.901 -2.446 5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.925 -3.839 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.928 -1.537 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.228 -2.485 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.489 -2.545 3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.224 -4.102 6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.858 -5.335 5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.849 -3.920 4.926 1.00 0.00 H new ATOM 493 N TYR A 43 2.821 -5.109 4.823 1.00 0.00 N ATOM 494 CA TYR A 43 1.493 -5.505 5.178 1.00 0.00 C ATOM 495 C TYR A 43 1.051 -4.564 6.246 1.00 0.00 C ATOM 496 O TYR A 43 1.878 -3.965 6.930 1.00 0.00 O ATOM 497 CB TYR A 43 1.463 -6.926 5.767 1.00 0.00 C ATOM 498 CG TYR A 43 2.097 -7.925 4.861 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.465 -8.074 4.854 1.00 0.00 C ATOM 500 CD2 TYR A 43 1.350 -8.654 3.967 1.00 0.00 C ATOM 501 CE1 TYR A 43 4.088 -8.787 3.857 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.963 -9.414 2.999 1.00 0.00 C ATOM 503 CZ TYR A 43 3.335 -9.433 2.905 1.00 0.00 C ATOM 504 OH TYR A 43 3.974 -10.096 1.835 1.00 0.00 O ATOM 0 H TYR A 43 3.366 -4.753 5.609 1.00 0.00 H new ATOM 0 HA TYR A 43 0.857 -5.489 4.293 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.979 -6.930 6.727 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.430 -7.216 5.959 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.055 -7.626 5.640 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.272 -8.630 4.025 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.166 -8.840 3.822 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.367 -9.996 2.312 1.00 0.00 H new ATOM 0 HH TYR A 43 3.299 -10.502 1.252 1.00 0.00 H new ATOM 514 N VAL A 44 -0.263 -4.379 6.464 1.00 0.00 N ATOM 515 CA VAL A 44 -0.745 -3.498 7.482 1.00 0.00 C ATOM 516 C VAL A 44 -0.941 -4.171 8.796 1.00 0.00 C ATOM 517 O VAL A 44 -1.605 -5.200 8.896 1.00 0.00 O ATOM 518 CB VAL A 44 -2.062 -2.861 7.150 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.326 -1.705 8.128 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.064 -2.357 5.697 1.00 0.00 C ATOM 0 H VAL A 44 -0.997 -4.844 5.930 1.00 0.00 H new ATOM 0 HA VAL A 44 0.041 -2.746 7.542 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.857 -3.600 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.282 -1.239 7.891 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.353 -2.090 9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.530 -0.965 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.027 -1.898 5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.271 -1.620 5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.895 -3.195 5.021 1.00 0.00 H new ATOM 530 N LYS A 45 -0.415 -3.579 9.885 1.00 0.00 N ATOM 531 CA LYS A 45 -0.679 -3.987 11.230 1.00 0.00 C ATOM 532 C LYS A 45 -1.893 -3.315 11.773 1.00 0.00 C ATOM 533 O LYS A 45 -2.807 -3.966 12.278 1.00 0.00 O ATOM 534 CB LYS A 45 0.506 -3.637 12.146 1.00 0.00 C ATOM 535 CG LYS A 45 0.475 -4.257 13.544 1.00 0.00 C ATOM 536 CD LYS A 45 0.618 -5.781 13.519 1.00 0.00 C ATOM 537 CE LYS A 45 1.069 -6.405 14.841 1.00 0.00 C ATOM 538 NZ LYS A 45 0.035 -6.261 15.890 1.00 0.00 N ATOM 0 H LYS A 45 0.220 -2.783 9.825 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.836 -5.065 11.208 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.426 -3.948 11.652 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.551 -2.553 12.251 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.279 -3.831 14.144 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.462 -3.992 14.033 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.340 -6.217 13.236 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.334 -6.052 12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.290 -7.462 14.689 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.993 -5.931 15.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.373 -6.695 16.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.157 -5.252 16.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.838 -6.735 15.584 1.00 0.00 H new ATOM 552 N ALA A 46 -1.942 -1.973 11.711 1.00 0.00 N ATOM 553 CA ALA A 46 -3.006 -1.192 12.262 1.00 0.00 C ATOM 554 C ALA A 46 -3.516 -0.196 11.280 1.00 0.00 C ATOM 555 O ALA A 46 -2.760 0.516 10.620 1.00 0.00 O ATOM 556 CB ALA A 46 -2.573 -0.490 13.561 1.00 0.00 C ATOM 0 H ALA A 46 -1.217 -1.412 11.263 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.817 -1.880 12.500 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.405 0.095 13.953 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.276 -1.237 14.297 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.731 0.170 13.354 1.00 0.00 H new ATOM 562 N ILE A 47 -4.855 -0.145 11.162 1.00 0.00 N ATOM 563 CA ILE A 47 -5.628 0.800 10.419 1.00 0.00 C ATOM 564 C ILE A 47 -6.116 1.838 11.371 1.00 0.00 C ATOM 565 O ILE A 47 -6.555 1.537 12.480 1.00 0.00 O ATOM 566 CB ILE A 47 -6.790 0.129 9.749 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.349 -0.998 8.800 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.701 1.110 8.990 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.547 -0.507 7.597 1.00 0.00 C ATOM 0 H ILE A 47 -5.448 -0.829 11.631 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.014 1.251 9.640 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.368 -0.304 10.565 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.748 -1.717 9.358 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.232 -1.529 8.445 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.522 0.561 8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.103 1.846 9.686 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.124 1.618 8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.271 -1.357 6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.152 0.189 7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.645 -0.002 7.943 1.00 0.00 H new ATOM 581 N ILE A 48 -6.056 3.120 10.971 1.00 0.00 N ATOM 582 CA ILE A 48 -6.546 4.237 11.717 1.00 0.00 C ATOM 583 C ILE A 48 -7.997 4.401 11.421 1.00 0.00 C ATOM 584 O ILE A 48 -8.346 4.247 10.251 1.00 0.00 O ATOM 585 CB ILE A 48 -5.768 5.454 11.312 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.355 5.368 11.913 1.00 0.00 C ATOM 587 CG2 ILE A 48 -6.423 6.795 11.684 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.456 6.489 11.396 1.00 0.00 C ATOM 0 H ILE A 48 -5.643 3.392 10.079 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.424 4.085 12.789 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.737 5.448 10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.417 5.422 13.000 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.912 4.403 11.667 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.787 7.615 11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.397 6.871 11.200 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.550 6.850 12.765 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.466 6.396 11.842 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.374 6.418 10.311 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.886 7.454 11.665 1.00 0.00 H new ATOM 643 N ALA A 52 -6.612 8.499 6.396 1.00 0.00 N ATOM 644 CA ALA A 52 -6.750 8.603 4.976 1.00 0.00 C ATOM 645 C ALA A 52 -7.038 7.252 4.415 1.00 0.00 C ATOM 646 O ALA A 52 -8.031 7.060 3.715 1.00 0.00 O ATOM 647 CB ALA A 52 -5.525 9.256 4.314 1.00 0.00 C ATOM 0 HA ALA A 52 -7.587 9.266 4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.680 9.311 3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.388 10.261 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.637 8.659 4.523 1.00 0.00 H new ATOM 653 N ALA A 53 -6.201 6.254 4.745 1.00 0.00 N ATOM 654 CA ALA A 53 -6.203 4.939 4.181 1.00 0.00 C ATOM 655 C ALA A 53 -7.362 4.047 4.464 1.00 0.00 C ATOM 656 O ALA A 53 -7.786 3.273 3.607 1.00 0.00 O ATOM 657 CB ALA A 53 -4.881 4.240 4.541 1.00 0.00 C ATOM 0 H ALA A 53 -5.475 6.373 5.452 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.311 5.115 3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.872 3.236 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.045 4.812 4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.787 4.175 5.625 1.00 0.00 H new ATOM 663 N GLU A 54 -8.006 4.100 5.644 1.00 0.00 N ATOM 664 CA GLU A 54 -9.224 3.380 5.851 1.00 0.00 C ATOM 665 C GLU A 54 -10.303 3.887 4.957 1.00 0.00 C ATOM 666 O GLU A 54 -11.140 3.154 4.431 1.00 0.00 O ATOM 667 CB GLU A 54 -9.773 3.468 7.285 1.00 0.00 C ATOM 668 CG GLU A 54 -11.017 2.600 7.487 1.00 0.00 C ATOM 669 CD GLU A 54 -11.561 2.580 8.908 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.861 3.675 9.452 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.764 1.463 9.457 1.00 0.00 O ATOM 0 H GLU A 54 -7.686 4.638 6.450 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.961 2.345 5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.999 3.158 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.016 4.505 7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.802 2.954 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.781 1.578 7.189 1.00 0.00 H new ATOM 678 N SER A 55 -10.281 5.211 4.720 1.00 0.00 N ATOM 679 CA SER A 55 -11.258 5.905 3.940 1.00 0.00 C ATOM 680 C SER A 55 -11.145 5.686 2.470 1.00 0.00 C ATOM 681 O SER A 55 -11.966 6.190 1.707 1.00 0.00 O ATOM 682 CB SER A 55 -11.224 7.409 4.259 1.00 0.00 C ATOM 683 OG SER A 55 -12.354 8.120 3.774 1.00 0.00 O ATOM 0 H SER A 55 -9.552 5.823 5.087 1.00 0.00 H new ATOM 0 HA SER A 55 -12.220 5.479 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.158 7.541 5.339 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.321 7.842 3.829 1.00 0.00 H new ATOM 0 HG SER A 55 -12.625 7.752 2.907 1.00 0.00 H new ATOM 689 N ASP A 56 -10.187 4.880 1.979 1.00 0.00 N ATOM 690 CA ASP A 56 -10.155 4.442 0.619 1.00 0.00 C ATOM 691 C ASP A 56 -11.228 3.435 0.384 1.00 0.00 C ATOM 692 O ASP A 56 -12.064 3.549 -0.511 1.00 0.00 O ATOM 693 CB ASP A 56 -8.807 3.767 0.313 1.00 0.00 C ATOM 694 CG ASP A 56 -7.790 4.899 0.290 1.00 0.00 C ATOM 695 OD1 ASP A 56 -8.055 5.905 -0.420 1.00 0.00 O ATOM 696 OD2 ASP A 56 -6.745 4.731 0.974 1.00 0.00 O ATOM 0 H ASP A 56 -9.415 4.524 2.542 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.299 5.312 -0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.556 3.027 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.836 3.244 -0.643 1.00 0.00 H new ATOM 701 N GLY A 57 -11.234 2.418 1.263 1.00 0.00 N ATOM 702 CA GLY A 57 -12.399 1.619 1.490 1.00 0.00 C ATOM 703 C GLY A 57 -12.029 0.296 2.066 1.00 0.00 C ATOM 704 O GLY A 57 -12.242 0.011 3.244 1.00 0.00 O ATOM 0 H GLY A 57 -10.425 2.147 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.076 2.139 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.935 1.475 0.552 1.00 0.00 H new ATOM 708 N ARG A 58 -11.464 -0.569 1.204 1.00 0.00 N ATOM 709 CA ARG A 58 -11.279 -1.965 1.456 1.00 0.00 C ATOM 710 C ARG A 58 -10.274 -2.383 2.472 1.00 0.00 C ATOM 711 O ARG A 58 -10.362 -3.519 2.938 1.00 0.00 O ATOM 712 CB ARG A 58 -10.989 -2.651 0.111 1.00 0.00 C ATOM 713 CG ARG A 58 -12.251 -3.147 -0.598 1.00 0.00 C ATOM 714 CD ARG A 58 -11.987 -3.762 -1.973 1.00 0.00 C ATOM 715 NE ARG A 58 -11.712 -2.632 -2.906 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.983 -2.725 -4.241 1.00 0.00 C ATOM 717 NH1 ARG A 58 -12.154 -3.933 -4.852 1.00 0.00 N ATOM 718 NH2 ARG A 58 -12.070 -1.582 -4.983 1.00 0.00 N ATOM 0 H ARG A 58 -11.120 -0.281 0.288 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.211 -2.281 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.465 -1.952 -0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.319 -3.494 0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.743 -3.888 0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.944 -2.313 -0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.139 -4.446 -1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.848 -4.340 -2.309 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.312 -1.769 -2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.080 -4.794 -4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.356 -3.975 -5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.933 -0.674 -4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.272 -1.636 -5.981 1.00 0.00 H new ATOM 732 N ILE A 59 -9.290 -1.559 2.875 1.00 0.00 N ATOM 733 CA ILE A 59 -8.182 -1.955 3.688 1.00 0.00 C ATOM 734 C ILE A 59 -8.519 -2.359 5.082 1.00 0.00 C ATOM 735 O ILE A 59 -9.262 -1.675 5.782 1.00 0.00 O ATOM 736 CB ILE A 59 -7.126 -0.891 3.751 1.00 0.00 C ATOM 737 CG1 ILE A 59 -6.971 -0.132 2.422 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.796 -1.552 4.150 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.847 0.902 2.436 1.00 0.00 C ATOM 0 H ILE A 59 -9.266 -0.571 2.622 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.812 -2.845 3.179 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.426 -0.151 4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.783 -0.850 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.911 0.368 2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.014 -0.794 4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.904 -2.028 5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.526 -2.303 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.797 1.398 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.043 1.642 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.898 0.405 2.639 1.00 0.00 H new ATOM 751 N HIS A 60 -7.971 -3.497 5.544 1.00 0.00 N ATOM 752 CA HIS A 60 -8.050 -3.971 6.891 1.00 0.00 C ATOM 753 C HIS A 60 -6.708 -4.332 7.428 1.00 0.00 C ATOM 754 O HIS A 60 -5.679 -4.231 6.764 1.00 0.00 O ATOM 755 CB HIS A 60 -8.993 -5.182 6.990 1.00 0.00 C ATOM 756 CG HIS A 60 -10.418 -4.753 7.185 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.900 -4.643 8.474 1.00 0.00 N ATOM 758 CD2 HIS A 60 -11.351 -4.337 6.289 1.00 0.00 C ATOM 759 CE1 HIS A 60 -12.121 -4.161 8.342 1.00 0.00 C ATOM 760 NE2 HIS A 60 -12.448 -3.959 7.037 1.00 0.00 N ATOM 0 H HIS A 60 -7.440 -4.124 4.939 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.450 -3.156 7.494 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.913 -5.782 6.084 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.686 -5.817 7.821 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.254 -4.308 5.214 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.782 -3.952 9.170 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.333 -3.598 6.680 1.00 0.00 H new ATOM 768 N LYS A 61 -6.653 -4.767 8.700 1.00 0.00 N ATOM 769 CA LYS A 61 -5.454 -5.161 9.373 1.00 0.00 C ATOM 770 C LYS A 61 -5.130 -6.573 9.027 1.00 0.00 C ATOM 771 O LYS A 61 -5.957 -7.469 9.190 1.00 0.00 O ATOM 772 CB LYS A 61 -5.641 -5.059 10.896 1.00 0.00 C ATOM 773 CG LYS A 61 -6.132 -3.683 11.349 1.00 0.00 C ATOM 774 CD LYS A 61 -6.546 -3.608 12.819 1.00 0.00 C ATOM 775 CE LYS A 61 -7.733 -2.663 13.014 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.109 -2.548 14.441 1.00 0.00 N ATOM 0 H LYS A 61 -7.484 -4.848 9.286 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.645 -4.501 9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.354 -5.817 11.220 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.694 -5.280 11.388 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.343 -2.953 11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.981 -3.393 10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.808 -4.604 13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.703 -3.266 13.419 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.482 -1.677 12.623 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.586 -3.026 12.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.917 -1.900 14.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.372 -3.485 14.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.303 -2.178 14.984 1.00 0.00 H new ATOM 790 N GLY A 62 -3.914 -6.834 8.513 1.00 0.00 N ATOM 791 CA GLY A 62 -3.518 -8.114 8.017 1.00 0.00 C ATOM 792 C GLY A 62 -3.544 -8.221 6.530 1.00 0.00 C ATOM 793 O GLY A 62 -3.253 -9.283 5.985 1.00 0.00 O ATOM 0 H GLY A 62 -3.181 -6.128 8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.510 -8.333 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.175 -8.875 8.438 1.00 0.00 H new ATOM 797 N ASP A 63 -3.882 -7.126 5.824 1.00 0.00 N ATOM 798 CA ASP A 63 -3.883 -7.067 4.396 1.00 0.00 C ATOM 799 C ASP A 63 -2.519 -6.818 3.849 1.00 0.00 C ATOM 800 O ASP A 63 -1.584 -6.437 4.550 1.00 0.00 O ATOM 801 CB ASP A 63 -4.822 -5.963 3.882 1.00 0.00 C ATOM 802 CG ASP A 63 -6.279 -6.378 4.032 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.564 -7.567 4.333 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.170 -5.518 3.798 1.00 0.00 O ATOM 0 H ASP A 63 -4.165 -6.251 6.265 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.235 -8.040 4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.643 -5.041 4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.605 -5.754 2.835 1.00 0.00 H new ATOM 809 N ARG A 64 -2.364 -7.055 2.534 1.00 0.00 N ATOM 810 CA ARG A 64 -1.105 -7.026 1.857 1.00 0.00 C ATOM 811 C ARG A 64 -1.001 -5.818 0.991 1.00 0.00 C ATOM 812 O ARG A 64 -1.894 -5.519 0.200 1.00 0.00 O ATOM 813 CB ARG A 64 -1.008 -8.311 1.018 1.00 0.00 C ATOM 814 CG ARG A 64 0.190 -8.400 0.072 1.00 0.00 C ATOM 815 CD ARG A 64 0.338 -9.757 -0.619 1.00 0.00 C ATOM 816 NE ARG A 64 1.614 -9.704 -1.386 1.00 0.00 N ATOM 817 CZ ARG A 64 2.003 -10.651 -2.289 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.280 -11.788 -2.507 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.159 -10.482 -2.995 1.00 0.00 N ATOM 0 H ARG A 64 -3.147 -7.275 1.918 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.285 -6.976 2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.975 -9.164 1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.920 -8.407 0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.098 -7.625 -0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.100 -8.189 0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.358 -10.565 0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.506 -9.949 -1.282 1.00 0.00 H new ATOM 0 HE ARG A 64 2.235 -8.911 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.418 -11.952 -1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.602 -12.474 -3.190 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.730 -9.650 -2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.452 -11.188 -3.670 1.00 0.00 H new ATOM 833 N VAL A 65 0.110 -5.062 1.072 1.00 0.00 N ATOM 834 CA VAL A 65 0.486 -4.107 0.077 1.00 0.00 C ATOM 835 C VAL A 65 1.635 -4.677 -0.681 1.00 0.00 C ATOM 836 O VAL A 65 2.676 -5.052 -0.143 1.00 0.00 O ATOM 837 CB VAL A 65 0.704 -2.700 0.553 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.584 -2.670 1.814 1.00 0.00 C ATOM 839 CG2 VAL A 65 1.253 -1.792 -0.560 1.00 0.00 C ATOM 0 H VAL A 65 0.765 -5.117 1.852 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.369 -3.959 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.270 -2.294 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.724 -1.638 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.099 -3.235 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.553 -3.116 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.395 -0.784 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.208 -2.183 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.546 -1.764 -1.389 1.00 0.00 H new ATOM 849 N LEU A 66 1.450 -4.840 -2.003 1.00 0.00 N ATOM 850 CA LEU A 66 2.439 -5.387 -2.881 1.00 0.00 C ATOM 851 C LEU A 66 3.200 -4.330 -3.604 1.00 0.00 C ATOM 852 O LEU A 66 4.408 -4.484 -3.779 1.00 0.00 O ATOM 853 CB LEU A 66 1.878 -6.457 -3.832 1.00 0.00 C ATOM 854 CG LEU A 66 0.610 -6.138 -4.641 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.658 -6.886 -5.983 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.657 -6.552 -3.873 1.00 0.00 C ATOM 0 H LEU A 66 0.584 -4.583 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 66 3.152 -5.905 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.665 -6.714 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.676 -7.351 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 66 0.574 -5.062 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.240 -6.661 -6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.537 -6.569 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.712 -7.959 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.538 -6.314 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.630 -7.624 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.702 -6.011 -2.928 1.00 0.00 H new ATOM 868 N ALA A 67 2.560 -3.224 -4.024 1.00 0.00 N ATOM 869 CA ALA A 67 3.263 -2.218 -4.758 1.00 0.00 C ATOM 870 C ALA A 67 2.761 -0.839 -4.494 1.00 0.00 C ATOM 871 O ALA A 67 1.629 -0.652 -4.050 1.00 0.00 O ATOM 872 CB ALA A 67 3.216 -2.519 -6.265 1.00 0.00 C ATOM 0 H ALA A 67 1.573 -3.028 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 67 4.295 -2.249 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.756 -1.743 -6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.680 -3.486 -6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.179 -2.541 -6.599 1.00 0.00 H new ATOM 878 N VAL A 68 3.599 0.186 -4.726 1.00 0.00 N ATOM 879 CA VAL A 68 3.264 1.552 -4.473 1.00 0.00 C ATOM 880 C VAL A 68 3.725 2.444 -5.574 1.00 0.00 C ATOM 881 O VAL A 68 4.915 2.449 -5.882 1.00 0.00 O ATOM 882 CB VAL A 68 3.881 2.068 -3.206 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.326 3.468 -2.897 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.606 1.121 -2.025 1.00 0.00 C ATOM 0 H VAL A 68 4.539 0.060 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 68 2.177 1.567 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 68 4.960 2.123 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.774 3.842 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.565 4.144 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.244 3.412 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.066 1.522 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.530 1.030 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.027 0.139 -2.241 1.00 0.00 H new ATOM 894 N ASN A 69 2.846 3.231 -6.221 1.00 0.00 N ATOM 895 CA ASN A 69 3.140 3.991 -7.396 1.00 0.00 C ATOM 896 C ASN A 69 3.727 3.200 -8.515 1.00 0.00 C ATOM 897 O ASN A 69 4.536 3.684 -9.305 1.00 0.00 O ATOM 898 CB ASN A 69 3.950 5.261 -7.090 1.00 0.00 C ATOM 899 CG ASN A 69 3.108 6.190 -6.227 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.882 6.202 -6.320 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.751 7.020 -5.362 1.00 0.00 N ATOM 0 H ASN A 69 1.882 3.342 -5.908 1.00 0.00 H new ATOM 0 HA ASN A 69 2.166 4.312 -7.764 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.875 5.003 -6.574 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.231 5.760 -8.017 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.215 7.664 -4.779 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.769 6.999 -5.296 1.00 0.00 H new ATOM 908 N GLY A 70 3.324 1.922 -8.635 1.00 0.00 N ATOM 909 CA GLY A 70 3.854 0.993 -9.583 1.00 0.00 C ATOM 910 C GLY A 70 5.195 0.446 -9.229 1.00 0.00 C ATOM 911 O GLY A 70 5.918 -0.041 -10.095 1.00 0.00 O ATOM 0 H GLY A 70 2.596 1.519 -8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.154 0.164 -9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.920 1.483 -10.555 1.00 0.00 H new ATOM 915 N VAL A 71 5.577 0.510 -7.941 1.00 0.00 N ATOM 916 CA VAL A 71 6.827 0.020 -7.446 1.00 0.00 C ATOM 917 C VAL A 71 6.541 -1.107 -6.514 1.00 0.00 C ATOM 918 O VAL A 71 6.141 -0.904 -5.369 1.00 0.00 O ATOM 919 CB VAL A 71 7.675 1.026 -6.727 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.071 0.436 -6.466 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.815 2.292 -7.591 1.00 0.00 C ATOM 0 H VAL A 71 4.991 0.920 -7.214 1.00 0.00 H new ATOM 0 HA VAL A 71 7.404 -0.277 -8.322 1.00 0.00 H new ATOM 0 HB VAL A 71 7.203 1.279 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.684 1.170 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.978 -0.461 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.541 0.180 -7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.431 3.023 -7.068 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.284 2.034 -8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.828 2.716 -7.777 1.00 0.00 H new ATOM 931 N SER A 72 6.733 -2.358 -6.966 1.00 0.00 N ATOM 932 CA SER A 72 6.689 -3.529 -6.146 1.00 0.00 C ATOM 933 C SER A 72 7.699 -3.495 -5.050 1.00 0.00 C ATOM 934 O SER A 72 8.860 -3.146 -5.265 1.00 0.00 O ATOM 935 CB SER A 72 6.936 -4.844 -6.905 1.00 0.00 C ATOM 936 OG SER A 72 5.878 -5.148 -7.802 1.00 0.00 O ATOM 0 H SER A 72 6.928 -2.563 -7.946 1.00 0.00 H new ATOM 0 HA SER A 72 5.671 -3.513 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.872 -4.772 -7.459 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.051 -5.659 -6.190 1.00 0.00 H new ATOM 0 HG SER A 72 6.074 -5.989 -8.266 1.00 0.00 H new ATOM 942 N LEU A 73 7.288 -3.879 -3.829 1.00 0.00 N ATOM 943 CA LEU A 73 8.089 -3.941 -2.646 1.00 0.00 C ATOM 944 C LEU A 73 8.994 -5.125 -2.649 1.00 0.00 C ATOM 945 O LEU A 73 8.824 -6.085 -1.900 1.00 0.00 O ATOM 946 CB LEU A 73 7.134 -3.979 -1.440 1.00 0.00 C ATOM 947 CG LEU A 73 6.494 -2.630 -1.069 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.092 -2.819 -0.465 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.341 -1.879 -0.028 1.00 0.00 C ATOM 0 H LEU A 73 6.325 -4.167 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 73 8.736 -3.065 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.339 -4.695 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.681 -4.354 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 73 6.432 -2.058 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.670 -1.846 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.448 -3.319 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.163 -3.427 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.863 -0.930 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.426 -2.483 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.335 -1.691 -0.434 1.00 0.00 H new ATOM 961 N GLU A 74 10.022 -5.097 -3.517 1.00 0.00 N ATOM 962 CA GLU A 74 10.946 -6.158 -3.772 1.00 0.00 C ATOM 963 C GLU A 74 11.953 -6.306 -2.684 1.00 0.00 C ATOM 964 O GLU A 74 12.918 -5.552 -2.581 1.00 0.00 O ATOM 965 CB GLU A 74 11.720 -5.933 -5.082 1.00 0.00 C ATOM 966 CG GLU A 74 10.866 -6.055 -6.345 1.00 0.00 C ATOM 967 CD GLU A 74 11.724 -5.874 -7.589 1.00 0.00 C ATOM 968 OE1 GLU A 74 12.741 -6.603 -7.740 1.00 0.00 O ATOM 969 OE2 GLU A 74 11.380 -5.008 -8.437 1.00 0.00 O ATOM 0 H GLU A 74 10.220 -4.271 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 74 10.337 -7.060 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.173 -4.942 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.535 -6.654 -5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.381 -7.031 -6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.075 -5.306 -6.330 1.00 0.00 H new ATOM 976 N GLY A 75 11.749 -7.300 -1.799 1.00 0.00 N ATOM 977 CA GLY A 75 12.576 -7.515 -0.652 1.00 0.00 C ATOM 978 C GLY A 75 12.550 -6.374 0.306 1.00 0.00 C ATOM 979 O GLY A 75 13.574 -6.014 0.886 1.00 0.00 O ATOM 0 H GLY A 75 10.987 -7.973 -1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.249 -8.420 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.602 -7.686 -0.978 1.00 0.00 H new ATOM 983 N ALA A 76 11.377 -5.744 0.498 1.00 0.00 N ATOM 984 CA ALA A 76 11.223 -4.689 1.451 1.00 0.00 C ATOM 985 C ALA A 76 11.040 -5.265 2.813 1.00 0.00 C ATOM 986 O ALA A 76 10.402 -6.300 2.997 1.00 0.00 O ATOM 987 CB ALA A 76 10.071 -3.742 1.075 1.00 0.00 C ATOM 0 H ALA A 76 10.525 -5.970 -0.015 1.00 0.00 H new ATOM 0 HA ALA A 76 12.130 -4.085 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.988 -2.955 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.270 -3.296 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.138 -4.303 1.033 1.00 0.00 H new ATOM 993 N THR A 77 11.653 -4.637 3.833 1.00 0.00 N ATOM 994 CA THR A 77 11.531 -4.941 5.225 1.00 0.00 C ATOM 995 C THR A 77 10.867 -3.735 5.798 1.00 0.00 C ATOM 996 O THR A 77 10.414 -2.870 5.049 1.00 0.00 O ATOM 997 CB THR A 77 12.858 -5.224 5.861 1.00 0.00 C ATOM 998 OG1 THR A 77 12.822 -5.424 7.267 1.00 0.00 O ATOM 999 CG2 THR A 77 13.918 -4.147 5.575 1.00 0.00 C ATOM 0 H THR A 77 12.285 -3.853 3.669 1.00 0.00 H new ATOM 0 HA THR A 77 10.957 -5.850 5.405 1.00 0.00 H new ATOM 0 HB THR A 77 13.136 -6.164 5.385 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.728 -5.604 7.595 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.853 -4.417 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.081 -4.073 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.572 -3.186 5.956 1.00 0.00 H new ATOM 1007 N HIS A 78 10.794 -3.573 7.131 1.00 0.00 N ATOM 1008 CA HIS A 78 10.155 -2.476 7.789 1.00 0.00 C ATOM 1009 C HIS A 78 10.672 -1.138 7.386 1.00 0.00 C ATOM 1010 O HIS A 78 9.881 -0.274 7.011 1.00 0.00 O ATOM 1011 CB HIS A 78 10.226 -2.611 9.320 1.00 0.00 C ATOM 1012 CG HIS A 78 9.722 -1.466 10.148 1.00 0.00 C ATOM 1013 ND1 HIS A 78 9.992 -1.403 11.490 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.023 -0.340 9.844 1.00 0.00 C ATOM 1015 CE1 HIS A 78 9.500 -0.283 11.986 1.00 0.00 C ATOM 1016 NE2 HIS A 78 8.900 0.371 11.008 1.00 0.00 N ATOM 0 H HIS A 78 11.202 -4.242 7.783 1.00 0.00 H new ATOM 0 HA HIS A 78 9.117 -2.529 7.462 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.665 -3.502 9.604 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.266 -2.789 9.593 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.495 -2.112 12.023 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.640 -0.061 8.874 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.575 0.042 13.013 1.00 0.00 H new ATOM 1025 N LYS A 79 11.991 -0.888 7.446 1.00 0.00 N ATOM 1026 CA LYS A 79 12.520 0.416 7.190 1.00 0.00 C ATOM 1027 C LYS A 79 12.496 0.762 5.740 1.00 0.00 C ATOM 1028 O LYS A 79 12.123 1.864 5.341 1.00 0.00 O ATOM 1029 CB LYS A 79 13.908 0.600 7.827 1.00 0.00 C ATOM 1030 CG LYS A 79 14.148 1.973 8.456 1.00 0.00 C ATOM 1031 CD LYS A 79 14.425 3.114 7.474 1.00 0.00 C ATOM 1032 CE LYS A 79 14.499 4.512 8.091 1.00 0.00 C ATOM 1033 NZ LYS A 79 15.555 4.585 9.127 1.00 0.00 N ATOM 0 H LYS A 79 12.694 -1.591 7.673 1.00 0.00 H new ATOM 0 HA LYS A 79 11.859 1.133 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.045 -0.164 8.593 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.668 0.427 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.275 2.236 9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.992 1.896 9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.367 2.911 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.644 3.113 6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.700 5.246 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.536 4.770 8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.617 5.557 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.322 3.937 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.469 4.313 8.711 1.00 0.00 H new ATOM 1047 N GLN A 80 12.837 -0.192 4.856 1.00 0.00 N ATOM 1048 CA GLN A 80 12.707 -0.042 3.441 1.00 0.00 C ATOM 1049 C GLN A 80 11.317 0.222 2.974 1.00 0.00 C ATOM 1050 O GLN A 80 11.087 1.145 2.194 1.00 0.00 O ATOM 1051 CB GLN A 80 13.274 -1.275 2.720 1.00 0.00 C ATOM 1052 CG GLN A 80 13.730 -0.895 1.310 1.00 0.00 C ATOM 1053 CD GLN A 80 13.943 -2.102 0.406 1.00 0.00 C ATOM 1054 OE1 GLN A 80 13.048 -2.479 -0.348 1.00 0.00 O ATOM 1055 NE2 GLN A 80 15.149 -2.726 0.462 1.00 0.00 N ATOM 0 H GLN A 80 13.215 -1.097 5.135 1.00 0.00 H new ATOM 0 HA GLN A 80 13.283 0.848 3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.113 -1.683 3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.516 -2.056 2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 80 12.987 -0.237 0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.659 -0.329 1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.870 -2.387 1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.334 -3.533 -0.133 1.00 0.00 H new ATOM 1064 N ALA A 81 10.312 -0.537 3.448 1.00 0.00 N ATOM 1065 CA ALA A 81 8.945 -0.329 3.084 1.00 0.00 C ATOM 1066 C ALA A 81 8.370 0.965 3.547 1.00 0.00 C ATOM 1067 O ALA A 81 7.521 1.548 2.874 1.00 0.00 O ATOM 1068 CB ALA A 81 8.068 -1.450 3.667 1.00 0.00 C ATOM 0 H ALA A 81 10.452 -1.311 4.097 1.00 0.00 H new ATOM 0 HA ALA A 81 8.945 -0.322 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.029 -1.283 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.400 -2.412 3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.153 -1.451 4.754 1.00 0.00 H new ATOM 1074 N VAL A 82 8.859 1.494 4.683 1.00 0.00 N ATOM 1075 CA VAL A 82 8.608 2.841 5.094 1.00 0.00 C ATOM 1076 C VAL A 82 9.021 3.796 4.027 1.00 0.00 C ATOM 1077 O VAL A 82 8.147 4.492 3.512 1.00 0.00 O ATOM 1078 CB VAL A 82 9.196 3.200 6.425 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.229 4.716 6.690 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.342 2.526 7.510 1.00 0.00 C ATOM 0 H VAL A 82 9.445 0.971 5.334 1.00 0.00 H new ATOM 0 HA VAL A 82 7.531 2.919 5.241 1.00 0.00 H new ATOM 0 HB VAL A 82 10.231 2.858 6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.666 4.905 7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.830 5.206 5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.214 5.112 6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.745 2.769 8.493 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.315 2.885 7.440 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.359 1.446 7.367 1.00 0.00 H new ATOM 1090 N GLU A 83 10.278 3.811 3.549 1.00 0.00 N ATOM 1091 CA GLU A 83 10.701 4.623 2.452 1.00 0.00 C ATOM 1092 C GLU A 83 9.881 4.529 1.211 1.00 0.00 C ATOM 1093 O GLU A 83 9.544 5.547 0.608 1.00 0.00 O ATOM 1094 CB GLU A 83 12.179 4.365 2.118 1.00 0.00 C ATOM 1095 CG GLU A 83 13.138 5.058 3.088 1.00 0.00 C ATOM 1096 CD GLU A 83 13.156 6.563 2.864 1.00 0.00 C ATOM 1097 OE1 GLU A 83 13.714 6.997 1.822 1.00 0.00 O ATOM 1098 OE2 GLU A 83 12.639 7.315 3.732 1.00 0.00 O ATOM 0 H GLU A 83 11.025 3.238 3.940 1.00 0.00 H new ATOM 0 HA GLU A 83 10.554 5.641 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.368 3.292 2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.383 4.710 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.839 4.844 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.143 4.657 2.959 1.00 0.00 H new ATOM 1105 N THR A 84 9.469 3.313 0.808 1.00 0.00 N ATOM 1106 CA THR A 84 8.635 3.017 -0.315 1.00 0.00 C ATOM 1107 C THR A 84 7.272 3.619 -0.264 1.00 0.00 C ATOM 1108 O THR A 84 6.696 3.926 -1.306 1.00 0.00 O ATOM 1109 CB THR A 84 8.548 1.537 -0.543 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.827 0.925 -0.464 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.991 1.103 -1.910 1.00 0.00 C ATOM 0 H THR A 84 9.743 2.469 1.311 1.00 0.00 H new ATOM 0 HA THR A 84 9.128 3.494 -1.162 1.00 0.00 H new ATOM 0 HB THR A 84 7.860 1.222 0.242 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.118 0.894 0.471 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.973 0.015 -1.966 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.979 1.490 -2.030 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.626 1.497 -2.703 1.00 0.00 H new ATOM 1119 N LEU A 85 6.688 3.836 0.927 1.00 0.00 N ATOM 1120 CA LEU A 85 5.451 4.510 1.171 1.00 0.00 C ATOM 1121 C LEU A 85 5.574 5.942 1.567 1.00 0.00 C ATOM 1122 O LEU A 85 4.707 6.771 1.291 1.00 0.00 O ATOM 1123 CB LEU A 85 4.724 3.803 2.327 1.00 0.00 C ATOM 1124 CG LEU A 85 4.207 2.397 1.982 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.984 1.577 3.265 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.895 2.460 1.181 1.00 0.00 C ATOM 0 H LEU A 85 7.119 3.511 1.792 1.00 0.00 H new ATOM 0 HA LEU A 85 4.918 4.477 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.402 3.730 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.883 4.420 2.643 1.00 0.00 H new ATOM 0 HG LEU A 85 4.965 1.913 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.618 0.584 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.925 1.486 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.250 2.080 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.558 1.448 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.134 2.973 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.062 3.004 0.251 1.00 0.00 H new ATOM 1138 N ARG A 86 6.640 6.306 2.301 1.00 0.00 N ATOM 1139 CA ARG A 86 6.876 7.554 2.958 1.00 0.00 C ATOM 1140 C ARG A 86 7.531 8.581 2.099 1.00 0.00 C ATOM 1141 O ARG A 86 7.071 9.719 2.037 1.00 0.00 O ATOM 1142 CB ARG A 86 7.694 7.287 4.232 1.00 0.00 C ATOM 1143 CG ARG A 86 8.022 8.480 5.134 1.00 0.00 C ATOM 1144 CD ARG A 86 9.432 9.005 4.853 1.00 0.00 C ATOM 1145 NE ARG A 86 9.695 10.121 5.804 1.00 0.00 N ATOM 1146 CZ ARG A 86 9.605 11.443 5.472 1.00 0.00 C ATOM 1147 NH1 ARG A 86 9.088 11.859 4.279 1.00 0.00 N ATOM 1148 NH2 ARG A 86 10.007 12.393 6.365 1.00 0.00 N ATOM 0 H ARG A 86 7.414 5.658 2.448 1.00 0.00 H new ATOM 0 HA ARG A 86 5.906 7.984 3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.152 6.554 4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.635 6.823 3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.294 9.275 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.942 8.183 6.180 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.168 8.212 4.981 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.513 9.352 3.823 1.00 0.00 H new ATOM 0 HE ARG A 86 9.958 9.884 6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.753 11.174 3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.036 12.855 4.065 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.373 12.115 7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.942 13.381 6.122 1.00 0.00 H new ATOM 1162 N ASN A 87 8.633 8.253 1.401 1.00 0.00 N ATOM 1163 CA ASN A 87 9.450 9.210 0.722 1.00 0.00 C ATOM 1164 C ASN A 87 9.037 9.371 -0.700 1.00 0.00 C ATOM 1165 O ASN A 87 9.812 9.690 -1.602 1.00 0.00 O ATOM 1166 CB ASN A 87 10.913 8.763 0.888 1.00 0.00 C ATOM 1167 CG ASN A 87 11.925 9.871 0.632 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.609 11.047 0.461 1.00 0.00 O ATOM 1169 ND2 ASN A 87 13.224 9.469 0.638 1.00 0.00 N ATOM 0 H ASN A 87 8.965 7.293 1.306 1.00 0.00 H new ATOM 0 HA ASN A 87 9.331 10.203 1.156 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.054 8.381 1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.111 7.937 0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.970 10.151 0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.453 8.486 0.783 1.00 0.00 H new ATOM 1176 N THR A 88 7.727 9.181 -0.938 1.00 0.00 N ATOM 1177 CA THR A 88 7.037 9.187 -2.191 1.00 0.00 C ATOM 1178 C THR A 88 6.616 10.566 -2.567 1.00 0.00 C ATOM 1179 O THR A 88 6.869 11.537 -1.856 1.00 0.00 O ATOM 1180 CB THR A 88 5.805 8.339 -2.087 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.896 8.818 -1.106 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.238 6.927 -1.658 1.00 0.00 C ATOM 0 H THR A 88 7.084 9.004 -0.166 1.00 0.00 H new ATOM 0 HA THR A 88 7.717 8.798 -2.949 1.00 0.00 H new ATOM 0 HB THR A 88 5.306 8.355 -3.056 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.325 9.511 -1.499 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.360 6.287 -1.574 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.919 6.513 -2.402 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.743 6.979 -0.693 1.00 0.00 H new ATOM 1190 N GLY A 89 5.858 10.698 -3.671 1.00 0.00 N ATOM 1191 CA GLY A 89 5.028 11.842 -3.887 1.00 0.00 C ATOM 1192 C GLY A 89 3.815 11.803 -3.022 1.00 0.00 C ATOM 1193 O GLY A 89 3.548 10.822 -2.329 1.00 0.00 O ATOM 0 H GLY A 89 5.821 10.006 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.595 12.750 -3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.729 11.884 -4.934 1.00 0.00 H new ATOM 1197 N GLN A 90 3.019 12.887 -3.029 1.00 0.00 N ATOM 1198 CA GLN A 90 1.795 13.028 -2.303 1.00 0.00 C ATOM 1199 C GLN A 90 0.762 12.031 -2.701 1.00 0.00 C ATOM 1200 O GLN A 90 0.095 11.459 -1.841 1.00 0.00 O ATOM 1201 CB GLN A 90 1.266 14.460 -2.491 1.00 0.00 C ATOM 1202 CG GLN A 90 0.053 14.856 -1.647 1.00 0.00 C ATOM 1203 CD GLN A 90 0.367 14.969 -0.162 1.00 0.00 C ATOM 1204 OE1 GLN A 90 1.482 14.780 0.323 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.685 15.307 0.630 1.00 0.00 N ATOM 0 H GLN A 90 3.245 13.717 -3.577 1.00 0.00 H new ATOM 0 HA GLN A 90 2.008 12.837 -1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.076 15.155 -2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.009 14.593 -3.542 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.334 15.811 -2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.737 14.119 -1.790 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.605 15.461 0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.554 15.406 1.637 1.00 0.00 H new ATOM 1214 N VAL A 91 0.617 11.745 -4.008 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.176 10.651 -4.474 1.00 0.00 C ATOM 1216 C VAL A 91 0.533 9.355 -4.279 1.00 0.00 C ATOM 1217 O VAL A 91 1.664 9.140 -4.711 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.627 10.748 -5.902 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.264 9.445 -6.415 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.633 11.909 -5.950 1.00 0.00 C ATOM 0 H VAL A 91 1.058 12.283 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.077 10.700 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 91 0.228 10.922 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.571 9.574 -7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.538 8.635 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.135 9.202 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.000 12.031 -6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.470 11.693 -5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.143 12.828 -5.628 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.181 8.438 -3.603 1.00 0.00 N ATOM 1231 CA VAL A 92 0.217 7.085 -3.361 1.00 0.00 C ATOM 1232 C VAL A 92 -0.817 6.201 -3.969 1.00 0.00 C ATOM 1233 O VAL A 92 -1.923 6.036 -3.455 1.00 0.00 O ATOM 1234 CB VAL A 92 0.364 6.882 -1.882 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.748 5.432 -1.548 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.494 7.806 -1.399 1.00 0.00 C ATOM 0 H VAL A 92 -1.093 8.655 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 92 1.180 6.846 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.586 7.104 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.846 5.321 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.026 4.757 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.697 5.188 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.629 7.684 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.420 7.548 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.235 8.842 -1.617 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.496 5.579 -5.117 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.228 4.486 -5.679 1.00 0.00 C ATOM 1248 C HIS A 93 -0.889 3.232 -4.950 1.00 0.00 C ATOM 1249 O HIS A 93 0.168 2.650 -5.188 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.930 4.215 -7.163 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.459 5.228 -8.135 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.729 6.355 -8.452 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.610 5.183 -8.860 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -1.464 6.999 -9.339 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.612 6.330 -9.628 1.00 0.00 N ATOM 0 H HIS A 93 0.311 5.850 -5.679 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.276 4.771 -5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.151 4.148 -7.290 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.342 3.240 -7.424 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.365 4.411 -8.839 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.187 7.944 -9.782 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.336 6.620 -10.286 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.764 2.732 -4.058 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.510 1.525 -3.336 1.00 0.00 C ATOM 1265 C LEU A 94 -2.014 0.347 -4.098 1.00 0.00 C ATOM 1266 O LEU A 94 -3.213 0.202 -4.331 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.144 1.461 -1.937 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.568 2.480 -0.939 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.584 2.830 0.161 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.210 2.001 -0.395 1.00 0.00 C ATOM 0 H LEU A 94 -2.658 3.171 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.427 1.510 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.218 1.625 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.008 0.457 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.376 3.415 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.142 3.552 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.477 3.259 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.853 1.927 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.180 2.736 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.338 1.045 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.491 1.882 -1.221 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.107 -0.572 -4.474 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.472 -1.858 -4.981 1.00 0.00 C ATOM 1284 C LEU A 95 -1.610 -2.777 -3.816 1.00 0.00 C ATOM 1285 O LEU A 95 -0.640 -3.321 -3.291 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.427 -2.368 -5.987 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.028 -3.073 -7.215 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.105 -3.683 -8.057 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.093 -4.120 -6.850 1.00 0.00 C ATOM 0 H LEU A 95 -0.100 -0.419 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.417 -1.803 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.177 -1.526 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.245 -3.059 -5.478 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.554 -2.323 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.318 -4.183 -8.928 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.781 -2.893 -8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.657 -4.406 -7.456 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.477 -4.581 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.647 -4.886 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.910 -3.636 -6.315 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.868 -2.908 -3.357 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.294 -3.674 -2.227 1.00 0.00 C ATOM 1303 C LEU A 96 -3.817 -4.997 -2.670 1.00 0.00 C ATOM 1304 O LEU A 96 -4.453 -5.097 -3.719 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.458 -2.949 -1.530 1.00 0.00 C ATOM 1306 CG LEU A 96 -4.020 -1.838 -0.561 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.783 -0.525 -0.804 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -4.246 -2.337 0.876 1.00 0.00 C ATOM 0 H LEU A 96 -3.649 -2.439 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.442 -3.799 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.109 -2.517 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.051 -3.681 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.965 -1.618 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.441 0.231 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.599 -0.180 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.851 -0.694 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.942 -1.564 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.302 -2.565 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.654 -3.237 1.046 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.605 -6.055 -1.867 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.315 -7.292 -1.973 1.00 0.00 C ATOM 1322 C GLU A 97 -5.049 -7.570 -0.706 1.00 0.00 C ATOM 1323 O GLU A 97 -4.558 -7.375 0.404 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.383 -8.479 -2.271 1.00 0.00 C ATOM 1325 CG GLU A 97 -4.097 -9.797 -2.581 1.00 0.00 C ATOM 1326 CD GLU A 97 -3.098 -10.928 -2.781 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -2.416 -10.965 -3.840 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.998 -11.805 -1.882 1.00 0.00 O ATOM 0 H GLU A 97 -2.914 -6.049 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.010 -7.186 -2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.747 -8.219 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.727 -8.631 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.776 -10.047 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.705 -9.682 -3.478 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.287 -8.075 -0.856 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.176 -8.480 0.187 1.00 0.00 C ATOM 1337 C LYS A 98 -6.703 -9.683 0.930 1.00 0.00 C ATOM 1338 O LYS A 98 -6.452 -10.734 0.342 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.511 -8.781 -0.516 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.716 -9.137 0.357 1.00 0.00 C ATOM 1341 CD LYS A 98 -10.322 -7.948 1.105 1.00 0.00 C ATOM 1342 CE LYS A 98 -11.249 -7.049 0.284 1.00 0.00 C ATOM 1343 NZ LYS A 98 -12.587 -7.661 0.124 1.00 0.00 N ATOM 0 H LYS A 98 -6.696 -8.210 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.254 -7.695 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.778 -7.910 -1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.345 -9.606 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.485 -9.587 -0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.414 -9.893 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.879 -8.327 1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.509 -7.338 1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.346 -6.080 0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.809 -6.869 -0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.193 -7.029 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.495 -8.575 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.015 -7.810 1.060 1.00 0.00 H new ATOM 1434 N LEU B 206 9.085 -3.088 14.982 1.00 0.00 N ATOM 1435 CA LEU B 206 8.009 -3.157 14.041 1.00 0.00 C ATOM 1436 C LEU B 206 7.241 -1.880 14.052 1.00 0.00 C ATOM 1437 O LEU B 206 7.259 -1.151 15.041 1.00 0.00 O ATOM 1438 CB LEU B 206 7.060 -4.297 14.448 1.00 0.00 C ATOM 1439 CG LEU B 206 6.105 -4.834 13.368 1.00 0.00 C ATOM 1440 CD1 LEU B 206 6.921 -5.553 12.280 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.138 -5.811 14.059 1.00 0.00 C ATOM 0 HA LEU B 206 8.417 -3.333 13.045 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.666 -5.129 14.808 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.459 -3.953 15.290 1.00 0.00 H new ATOM 0 HG LEU B 206 5.546 -4.028 12.893 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.247 -5.935 11.513 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.624 -4.852 11.830 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.471 -6.382 12.726 1.00 0.00 H new ATOM 0 HD21 LEU B 206 4.442 -6.215 13.324 1.00 0.00 H new ATOM 0 HD22 LEU B 206 5.704 -6.626 14.509 1.00 0.00 H new ATOM 0 HD23 LEU B 206 4.582 -5.285 14.835 1.00 0.00 H new ATOM 1453 N VAL B 207 6.503 -1.589 12.966 1.00 0.00 N ATOM 1454 CA VAL B 207 5.460 -0.612 12.945 1.00 0.00 C ATOM 1455 C VAL B 207 5.889 0.813 12.882 1.00 0.00 C ATOM 1456 O VAL B 207 6.625 1.338 13.714 1.00 0.00 O ATOM 1457 CB VAL B 207 4.339 -0.925 13.891 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.610 0.317 14.430 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.379 -1.910 13.202 1.00 0.00 C ATOM 0 H VAL B 207 6.638 -2.053 12.068 1.00 0.00 H new ATOM 0 HA VAL B 207 5.016 -0.718 11.955 1.00 0.00 H new ATOM 0 HB VAL B 207 4.768 -1.385 14.781 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.814 0.007 15.107 1.00 0.00 H new ATOM 0 HG12 VAL B 207 4.317 0.949 14.967 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.182 0.877 13.599 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.557 -2.149 13.877 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.983 -1.457 12.293 1.00 0.00 H new ATOM 0 HG23 VAL B 207 3.916 -2.824 12.947 1.00 0.00 H new ATOM 1469 N THR B 208 5.420 1.509 11.829 1.00 0.00 N ATOM 1470 CA THR B 208 5.616 2.911 11.625 1.00 0.00 C ATOM 1471 C THR B 208 4.406 3.316 10.855 1.00 0.00 C ATOM 1472 O THR B 208 4.102 2.681 9.847 1.00 0.00 O ATOM 1473 CB THR B 208 6.826 3.249 10.803 1.00 0.00 C ATOM 1474 OG1 THR B 208 8.004 2.966 11.543 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.906 4.741 10.443 1.00 0.00 C ATOM 0 H THR B 208 4.878 1.071 11.084 1.00 0.00 H new ATOM 0 HA THR B 208 5.764 3.413 12.581 1.00 0.00 H new ATOM 0 HB THR B 208 6.743 2.654 9.894 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.418 2.148 11.198 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.801 4.924 9.849 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.024 5.024 9.868 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.949 5.334 11.357 1.00 0.00 H new ATOM 1483 N SER B 209 3.669 4.339 11.326 1.00 0.00 N ATOM 1484 CA SER B 209 2.543 4.929 10.672 1.00 0.00 C ATOM 1485 C SER B 209 2.988 5.900 9.632 1.00 0.00 C ATOM 1486 O SER B 209 3.740 6.834 9.904 1.00 0.00 O ATOM 1487 CB SER B 209 1.580 5.609 11.659 1.00 0.00 C ATOM 1488 OG SER B 209 2.275 6.423 12.593 1.00 0.00 O ATOM 0 H SER B 209 3.874 4.781 12.222 1.00 0.00 H new ATOM 0 HA SER B 209 1.995 4.118 10.193 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.864 6.218 11.108 1.00 0.00 H new ATOM 0 HB3 SER B 209 1.009 4.849 12.192 1.00 0.00 H new ATOM 0 HG SER B 209 2.994 6.906 12.135 1.00 0.00 H new ATOM 1494 N VAL B 210 2.561 5.691 8.374 1.00 0.00 N ATOM 1495 CA VAL B 210 3.018 6.378 7.206 1.00 0.00 C ATOM 1496 C VAL B 210 1.865 6.200 6.228 1.00 0.00 C ATOM 1497 O VAL B 210 0.810 5.594 6.558 1.00 0.00 O ATOM 1498 CB VAL B 210 4.286 5.880 6.579 1.00 0.00 C ATOM 1499 CG1 VAL B 210 5.473 6.623 7.216 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.409 4.351 6.679 1.00 0.00 C ATOM 1501 OXT VAL B 210 1.977 6.795 5.123 1.00 0.00 O ATOM 0 H VAL B 210 1.848 4.994 8.159 1.00 0.00 H new ATOM 0 HA VAL B 210 3.273 7.403 7.475 1.00 0.00 H new ATOM 0 HB VAL B 210 4.279 6.094 5.510 1.00 0.00 H new ATOM 0 HG11 VAL B 210 6.404 6.272 6.770 1.00 0.00 H new ATOM 0 HG12 VAL B 210 5.368 7.694 7.041 1.00 0.00 H new ATOM 0 HG13 VAL B 210 5.489 6.431 8.289 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.341 4.030 6.213 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.406 4.054 7.728 1.00 0.00 H new ATOM 0 HG23 VAL B 210 3.568 3.884 6.167 1.00 0.00 H new