USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 267 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 10 CYS SG : rot 152:sc= -10.5! USER MOD Set 1.2: A 13 CYS SG : rot 120:sc= -1.82 USER MOD Set 1.3: A 29 CYS SG : rot -154:sc= -0.451 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -0.194 K(o=-0.19,f=-0.98) USER MOD Single : A 17 GLN : amide:sc= -2.46! C(o=-2.5!,f=-2.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 6.158 0.330 -7.447 1.00 0.00 N ATOM 63 CA PHE A 5 6.088 0.913 -6.118 1.00 0.00 C ATOM 64 C PHE A 5 4.978 1.962 -6.037 1.00 0.00 C ATOM 65 O PHE A 5 4.820 2.776 -6.945 1.00 0.00 O ATOM 66 CB PHE A 5 7.435 1.592 -5.856 1.00 0.00 C ATOM 67 CG PHE A 5 7.922 2.473 -7.008 1.00 0.00 C ATOM 68 CD1 PHE A 5 8.665 1.933 -8.011 1.00 0.00 C ATOM 69 CD2 PHE A 5 7.611 3.797 -7.031 1.00 0.00 C ATOM 70 CE1 PHE A 5 9.117 2.751 -9.080 1.00 0.00 C ATOM 71 CE2 PHE A 5 8.062 4.615 -8.099 1.00 0.00 C ATOM 72 CZ PHE A 5 8.806 4.074 -9.102 1.00 0.00 C ATOM 0 HA PHE A 5 5.873 0.138 -5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.354 2.201 -4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.184 0.826 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.911 0.882 -7.994 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.020 4.226 -6.235 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.708 2.322 -9.876 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.815 5.666 -8.116 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.149 4.696 -9.915 1.00 0.00 H new ATOM 81 N VAL A 6 4.235 1.907 -4.941 1.00 0.00 N ATOM 82 CA VAL A 6 3.144 2.843 -4.730 1.00 0.00 C ATOM 83 C VAL A 6 3.067 3.203 -3.245 1.00 0.00 C ATOM 84 O VAL A 6 2.997 2.321 -2.391 1.00 0.00 O ATOM 85 CB VAL A 6 1.839 2.254 -5.270 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.899 0.725 -5.302 1.00 0.00 C ATOM 87 CG2 VAL A 6 0.639 2.738 -4.453 1.00 0.00 C ATOM 0 H VAL A 6 4.367 1.229 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 6 3.321 3.767 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 6 1.711 2.606 -6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.959 0.332 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.719 0.406 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.062 0.346 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.275 2.305 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.758 2.430 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.579 3.825 -4.504 1.00 0.00 H new ATOM 97 N LYS A 7 3.083 4.502 -2.983 1.00 0.00 N ATOM 98 CA LYS A 7 3.016 4.990 -1.616 1.00 0.00 C ATOM 99 C LYS A 7 1.553 5.228 -1.234 1.00 0.00 C ATOM 100 O LYS A 7 0.860 6.014 -1.879 1.00 0.00 O ATOM 101 CB LYS A 7 3.905 6.223 -1.443 1.00 0.00 C ATOM 102 CG LYS A 7 3.352 7.150 -0.359 1.00 0.00 C ATOM 103 CD LYS A 7 4.241 8.384 -0.188 1.00 0.00 C ATOM 104 CE LYS A 7 5.621 7.996 0.345 1.00 0.00 C ATOM 105 NZ LYS A 7 6.448 9.203 0.569 1.00 0.00 N ATOM 0 H LYS A 7 3.141 5.231 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 7 3.408 4.243 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.916 5.913 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.973 6.762 -2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.340 7.460 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.285 6.611 0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.347 8.895 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.767 9.086 0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.515 7.442 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.118 7.334 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.382 8.922 0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.564 9.716 -0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.980 9.821 1.262 1.00 0.00 H new ATOM 114 N VAL A 8 1.127 4.536 -0.189 1.00 0.00 N ATOM 115 CA VAL A 8 -0.240 4.663 0.286 1.00 0.00 C ATOM 116 C VAL A 8 -0.229 5.145 1.738 1.00 0.00 C ATOM 117 O VAL A 8 0.813 5.136 2.391 1.00 0.00 O ATOM 118 CB VAL A 8 -0.982 3.338 0.103 1.00 0.00 C ATOM 119 CG1 VAL A 8 -1.292 3.082 -1.374 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.190 2.176 0.705 1.00 0.00 C ATOM 0 H VAL A 8 1.704 3.885 0.343 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.780 5.407 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.929 3.410 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.820 2.134 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.916 3.888 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.361 3.042 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.741 1.247 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.780 2.103 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.044 2.349 1.771 1.00 0.00 H new ATOM 130 N LYS A 9 -1.401 5.556 2.200 1.00 0.00 N ATOM 131 CA LYS A 9 -1.539 6.042 3.563 1.00 0.00 C ATOM 132 C LYS A 9 -2.746 5.369 4.220 1.00 0.00 C ATOM 133 O LYS A 9 -3.799 5.230 3.598 1.00 0.00 O ATOM 134 CB LYS A 9 -1.601 7.570 3.583 1.00 0.00 C ATOM 135 CG LYS A 9 -1.912 8.088 4.989 1.00 0.00 C ATOM 136 CD LYS A 9 -2.463 9.514 4.939 1.00 0.00 C ATOM 137 CE LYS A 9 -1.543 10.485 5.682 1.00 0.00 C ATOM 138 NZ LYS A 9 -0.995 11.496 4.750 1.00 0.00 N ATOM 0 H LYS A 9 -2.263 5.563 1.655 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.663 5.774 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.650 7.981 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.365 7.916 2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.637 7.431 5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.008 8.065 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.569 9.830 3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.458 9.539 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.096 10.980 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.728 9.935 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.373 12.147 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.451 11.020 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.776 12.032 4.321 1.00 0.00 H new ATOM 147 N CYS A 10 -2.553 4.968 5.468 1.00 0.00 N ATOM 148 CA CYS A 10 -3.613 4.313 6.215 1.00 0.00 C ATOM 149 C CYS A 10 -4.680 5.356 6.551 1.00 0.00 C ATOM 150 O CYS A 10 -4.367 6.427 7.068 1.00 0.00 O ATOM 151 CB CYS A 10 -3.075 3.623 7.471 1.00 0.00 C ATOM 152 SG CYS A 10 -4.077 2.138 7.846 1.00 0.00 S ATOM 0 H CYS A 10 -1.679 5.084 5.980 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.056 3.525 5.607 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.033 3.341 7.323 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.102 4.313 8.315 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.344 1.267 8.474 1.00 0.00 H new ATOM 157 N PRO A 11 -5.954 4.998 6.234 1.00 0.00 N ATOM 158 CA PRO A 11 -7.069 5.890 6.495 1.00 0.00 C ATOM 159 C PRO A 11 -7.411 5.918 7.987 1.00 0.00 C ATOM 160 O PRO A 11 -7.780 6.963 8.523 1.00 0.00 O ATOM 161 CB PRO A 11 -8.206 5.362 5.636 1.00 0.00 C ATOM 162 CG PRO A 11 -7.832 3.932 5.283 1.00 0.00 C ATOM 163 CD PRO A 11 -6.362 3.737 5.620 1.00 0.00 C ATOM 0 HA PRO A 11 -6.846 6.927 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.152 5.396 6.176 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.330 5.966 4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.448 3.227 5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.009 3.741 4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.220 2.899 6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.775 3.523 4.726 1.00 0.00 H new ATOM 168 N ASP A 12 -7.276 4.759 8.614 1.00 0.00 N ATOM 169 CA ASP A 12 -7.566 4.637 10.032 1.00 0.00 C ATOM 170 C ASP A 12 -6.340 5.070 10.838 1.00 0.00 C ATOM 171 O ASP A 12 -6.466 5.788 11.830 1.00 0.00 O ATOM 172 CB ASP A 12 -7.890 3.190 10.406 1.00 0.00 C ATOM 173 CG ASP A 12 -9.152 3.008 11.253 1.00 0.00 C ATOM 174 OD1 ASP A 12 -9.117 2.388 12.326 1.00 0.00 O ATOM 175 OD2 ASP A 12 -10.219 3.540 10.761 1.00 0.00 O ATOM 0 H ASP A 12 -6.969 3.896 8.166 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.426 5.268 10.255 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.999 2.609 9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.042 2.772 10.950 1.00 0.00 H new ATOM 180 N CYS A 13 -5.181 4.616 10.382 1.00 0.00 N ATOM 181 CA CYS A 13 -3.933 4.948 11.048 1.00 0.00 C ATOM 182 C CYS A 13 -3.583 6.400 10.718 1.00 0.00 C ATOM 183 O CYS A 13 -3.097 7.136 11.575 1.00 0.00 O ATOM 184 CB CYS A 13 -2.810 3.986 10.656 1.00 0.00 C ATOM 185 SG CYS A 13 -1.978 3.350 12.156 1.00 0.00 S ATOM 0 H CYS A 13 -5.080 4.021 9.560 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.054 4.841 12.126 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.216 3.157 10.076 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.088 4.497 10.019 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.088 2.055 12.198 1.00 0.00 H new ATOM 190 N GLU A 14 -3.844 6.770 9.472 1.00 0.00 N ATOM 191 CA GLU A 14 -3.563 8.120 9.017 1.00 0.00 C ATOM 192 C GLU A 14 -2.067 8.286 8.739 1.00 0.00 C ATOM 193 O GLU A 14 -1.602 9.390 8.459 1.00 0.00 O ATOM 194 CB GLU A 14 -4.047 9.154 10.035 1.00 0.00 C ATOM 195 CG GLU A 14 -5.455 8.816 10.532 1.00 0.00 C ATOM 196 CD GLU A 14 -6.248 10.087 10.842 1.00 0.00 C ATOM 197 OE1 GLU A 14 -6.509 10.891 9.934 1.00 0.00 O ATOM 198 OE2 GLU A 14 -6.597 10.225 12.075 1.00 0.00 O ATOM 0 H GLU A 14 -4.247 6.157 8.764 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.108 8.289 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.358 9.189 10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.046 10.145 9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.980 8.231 9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.390 8.197 11.427 1.00 0.00 H new ATOM 204 N HIS A 15 -1.355 7.172 8.824 1.00 0.00 N ATOM 205 CA HIS A 15 0.078 7.180 8.584 1.00 0.00 C ATOM 206 C HIS A 15 0.359 6.756 7.142 1.00 0.00 C ATOM 207 O HIS A 15 -0.410 6.000 6.551 1.00 0.00 O ATOM 208 CB HIS A 15 0.805 6.308 9.610 1.00 0.00 C ATOM 209 CG HIS A 15 2.306 6.477 9.607 1.00 0.00 C ATOM 210 ND1 HIS A 15 3.150 5.674 8.861 1.00 0.00 N ATOM 211 CD2 HIS A 15 3.104 7.366 10.266 1.00 0.00 C ATOM 212 CE1 HIS A 15 4.396 6.070 9.069 1.00 0.00 C ATOM 213 NE2 HIS A 15 4.367 7.119 9.941 1.00 0.00 N ATOM 0 H HIS A 15 -1.744 6.258 9.056 1.00 0.00 H new ATOM 0 HA HIS A 15 0.466 8.191 8.711 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.425 6.542 10.605 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.567 5.262 9.416 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.861 4.907 8.254 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.765 8.140 10.939 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.281 5.638 8.626 1.00 0.00 H new ATOM 220 N GLU A 16 1.465 7.263 6.615 1.00 0.00 N ATOM 221 CA GLU A 16 1.858 6.947 5.252 1.00 0.00 C ATOM 222 C GLU A 16 2.702 5.671 5.226 1.00 0.00 C ATOM 223 O GLU A 16 3.567 5.477 6.078 1.00 0.00 O ATOM 224 CB GLU A 16 2.611 8.116 4.614 1.00 0.00 C ATOM 225 CG GLU A 16 1.698 9.333 4.451 1.00 0.00 C ATOM 226 CD GLU A 16 2.515 10.608 4.238 1.00 0.00 C ATOM 227 OE1 GLU A 16 3.053 10.824 3.142 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.582 11.389 5.262 1.00 0.00 O ATOM 0 H GLU A 16 2.101 7.890 7.108 1.00 0.00 H new ATOM 0 HA GLU A 16 0.956 6.775 4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.469 8.381 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.999 7.815 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.030 9.180 3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.071 9.442 5.336 1.00 0.00 H new ATOM 234 N GLN A 17 2.421 4.835 4.237 1.00 0.00 N ATOM 235 CA GLN A 17 3.145 3.583 4.088 1.00 0.00 C ATOM 236 C GLN A 17 3.365 3.271 2.607 1.00 0.00 C ATOM 237 O GLN A 17 2.623 3.750 1.750 1.00 0.00 O ATOM 238 CB GLN A 17 2.407 2.438 4.786 1.00 0.00 C ATOM 239 CG GLN A 17 3.119 2.036 6.079 1.00 0.00 C ATOM 240 CD GLN A 17 3.394 0.532 6.109 1.00 0.00 C ATOM 241 OE1 GLN A 17 4.505 0.073 5.902 1.00 0.00 O ATOM 242 NE2 GLN A 17 2.321 -0.209 6.377 1.00 0.00 N ATOM 0 H GLN A 17 1.703 4.999 3.532 1.00 0.00 H new ATOM 0 HA GLN A 17 4.119 3.689 4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.384 2.742 5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.346 1.579 4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.058 2.583 6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.507 2.315 6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.420 0.239 6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.400 -1.225 6.419 1.00 0.00 H new ATOM 249 N VAL A 18 4.389 2.471 2.350 1.00 0.00 N ATOM 250 CA VAL A 18 4.717 2.089 0.986 1.00 0.00 C ATOM 251 C VAL A 18 4.511 0.582 0.819 1.00 0.00 C ATOM 252 O VAL A 18 5.219 -0.216 1.431 1.00 0.00 O ATOM 253 CB VAL A 18 6.139 2.539 0.645 1.00 0.00 C ATOM 254 CG1 VAL A 18 6.475 2.233 -0.816 1.00 0.00 C ATOM 255 CG2 VAL A 18 6.333 4.025 0.952 1.00 0.00 C ATOM 0 H VAL A 18 5.003 2.076 3.063 1.00 0.00 H new ATOM 0 HA VAL A 18 4.054 2.588 0.280 1.00 0.00 H new ATOM 0 HB VAL A 18 6.828 1.975 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.491 2.563 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.397 1.160 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.777 2.758 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.352 4.318 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.630 4.613 0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.155 4.204 2.012 1.00 0.00 H new ATOM 265 N ILE A 19 3.538 0.239 -0.012 1.00 0.00 N ATOM 266 CA ILE A 19 3.229 -1.157 -0.267 1.00 0.00 C ATOM 267 C ILE A 19 3.099 -1.379 -1.775 1.00 0.00 C ATOM 268 O ILE A 19 2.996 -0.422 -2.540 1.00 0.00 O ATOM 269 CB ILE A 19 1.994 -1.587 0.526 1.00 0.00 C ATOM 270 CG1 ILE A 19 0.770 -0.760 0.125 1.00 0.00 C ATOM 271 CG2 ILE A 19 2.259 -1.524 2.032 1.00 0.00 C ATOM 272 CD1 ILE A 19 -0.392 -1.666 -0.287 1.00 0.00 C ATOM 0 H ILE A 19 2.953 0.904 -0.518 1.00 0.00 H new ATOM 0 HA ILE A 19 4.041 -1.796 0.081 1.00 0.00 H new ATOM 0 HB ILE A 19 1.776 -2.626 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.465 -0.127 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.029 -0.097 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.365 -1.835 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.085 -2.189 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.517 -0.503 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.249 -1.054 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.091 -2.280 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.664 -2.311 0.548 1.00 0.00 H new ATOM 365 N ILE A 26 -0.883 -10.606 2.720 1.00 0.00 N ATOM 366 CA ILE A 26 -1.653 -9.546 3.349 1.00 0.00 C ATOM 367 C ILE A 26 -0.699 -8.465 3.862 1.00 0.00 C ATOM 368 O ILE A 26 0.366 -8.773 4.395 1.00 0.00 O ATOM 369 CB ILE A 26 -2.571 -10.119 4.430 1.00 0.00 C ATOM 370 CG1 ILE A 26 -3.447 -11.241 3.867 1.00 0.00 C ATOM 371 CG2 ILE A 26 -3.403 -9.016 5.085 1.00 0.00 C ATOM 372 CD1 ILE A 26 -4.137 -12.014 4.993 1.00 0.00 C ATOM 0 HA ILE A 26 -2.313 -9.072 2.622 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.948 -10.557 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.197 -10.821 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.836 -11.922 3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.047 -9.451 5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.739 -8.283 5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.017 -8.526 4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.753 -12.805 4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.384 -12.453 5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.766 -11.335 5.568 1.00 0.00 H new ATOM 383 N VAL A 27 -1.117 -7.220 3.684 1.00 0.00 N ATOM 384 CA VAL A 27 -0.313 -6.091 4.121 1.00 0.00 C ATOM 385 C VAL A 27 -0.921 -5.503 5.397 1.00 0.00 C ATOM 386 O VAL A 27 -2.027 -4.965 5.371 1.00 0.00 O ATOM 387 CB VAL A 27 -0.189 -5.067 2.991 1.00 0.00 C ATOM 388 CG1 VAL A 27 0.767 -3.937 3.379 1.00 0.00 C ATOM 389 CG2 VAL A 27 0.255 -5.739 1.690 1.00 0.00 C ATOM 0 H VAL A 27 -2.002 -6.968 3.243 1.00 0.00 H new ATOM 0 HA VAL A 27 0.700 -6.413 4.361 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.174 -4.630 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.838 -3.223 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.391 -3.432 4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.754 -4.350 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.336 -4.990 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.224 -6.215 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.478 -6.492 1.401 1.00 0.00 H new ATOM 399 N LYS A 28 -0.171 -5.625 6.482 1.00 0.00 N ATOM 400 CA LYS A 28 -0.621 -5.112 7.764 1.00 0.00 C ATOM 401 C LYS A 28 0.125 -3.815 8.082 1.00 0.00 C ATOM 402 O LYS A 28 1.310 -3.686 7.775 1.00 0.00 O ATOM 403 CB LYS A 28 -0.483 -6.183 8.849 1.00 0.00 C ATOM 404 CG LYS A 28 -1.771 -6.996 8.985 1.00 0.00 C ATOM 405 CD LYS A 28 -1.476 -8.411 9.487 1.00 0.00 C ATOM 406 CE LYS A 28 -1.107 -9.339 8.328 1.00 0.00 C ATOM 407 NZ LYS A 28 -0.669 -10.657 8.838 1.00 0.00 N ATOM 0 H LYS A 28 0.746 -6.072 6.499 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.682 -4.867 7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.346 -6.847 8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.244 -5.711 9.802 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.450 -6.496 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.277 -7.046 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.659 -8.382 10.208 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.348 -8.805 10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.965 -9.465 7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.311 -8.890 7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.422 -11.274 8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.163 -10.534 9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.439 -11.091 9.385 1.00 0.00 H new ATOM 416 N CYS A 29 -0.597 -2.887 8.691 1.00 0.00 N ATOM 417 CA CYS A 29 -0.017 -1.605 9.052 1.00 0.00 C ATOM 418 C CYS A 29 1.181 -1.861 9.969 1.00 0.00 C ATOM 419 O CYS A 29 1.098 -2.666 10.895 1.00 0.00 O ATOM 420 CB CYS A 29 -1.048 -0.682 9.705 1.00 0.00 C ATOM 421 SG CYS A 29 -0.588 1.067 9.425 1.00 0.00 S ATOM 0 H CYS A 29 -1.579 -2.997 8.944 1.00 0.00 H new ATOM 0 HA CYS A 29 0.319 -1.088 8.153 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.037 -0.877 9.291 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.104 -0.885 10.774 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.083 1.803 10.375 1.00 0.00 H new ATOM 426 N ILE A 30 2.267 -1.160 9.679 1.00 0.00 N ATOM 427 CA ILE A 30 3.480 -1.301 10.465 1.00 0.00 C ATOM 428 C ILE A 30 3.325 -0.531 11.778 1.00 0.00 C ATOM 429 O ILE A 30 4.157 -0.654 12.677 1.00 0.00 O ATOM 430 CB ILE A 30 4.703 -0.880 9.647 1.00 0.00 C ATOM 431 CG1 ILE A 30 4.658 0.616 9.326 1.00 0.00 C ATOM 432 CG2 ILE A 30 4.837 -1.733 8.383 1.00 0.00 C ATOM 433 CD1 ILE A 30 6.043 1.249 9.472 1.00 0.00 C ATOM 0 H ILE A 30 2.332 -0.493 8.910 1.00 0.00 H new ATOM 0 HA ILE A 30 3.644 -2.347 10.725 1.00 0.00 H new ATOM 0 HB ILE A 30 5.594 -1.054 10.250 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.292 0.763 8.310 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.954 1.114 9.993 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.714 -1.413 7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.947 -2.781 8.661 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.946 -1.613 7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.984 2.312 9.238 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.395 1.122 10.496 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.738 0.765 8.786 1.00 0.00 H new ATOM 444 N ILE A 31 2.255 0.248 11.847 1.00 0.00 N ATOM 445 CA ILE A 31 1.980 1.038 13.035 1.00 0.00 C ATOM 446 C ILE A 31 1.373 0.137 14.113 1.00 0.00 C ATOM 447 O ILE A 31 2.075 -0.314 15.018 1.00 0.00 O ATOM 448 CB ILE A 31 1.111 2.247 12.684 1.00 0.00 C ATOM 449 CG1 ILE A 31 1.683 3.003 11.484 1.00 0.00 C ATOM 450 CG2 ILE A 31 0.923 3.158 13.899 1.00 0.00 C ATOM 451 CD1 ILE A 31 3.207 3.093 11.567 1.00 0.00 C ATOM 0 H ILE A 31 1.568 0.349 11.099 1.00 0.00 H new ATOM 0 HA ILE A 31 2.905 1.446 13.444 1.00 0.00 H new ATOM 0 HB ILE A 31 0.124 1.886 12.396 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.395 2.499 10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.258 4.006 11.445 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.302 4.010 13.622 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.438 2.600 14.700 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.895 3.514 14.241 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.587 3.635 10.701 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.491 3.619 12.478 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.631 2.089 11.581 1.00 0.00 H new ATOM 462 N CYS A 32 0.076 -0.099 13.981 1.00 0.00 N ATOM 463 CA CYS A 32 -0.632 -0.939 14.933 1.00 0.00 C ATOM 464 C CYS A 32 -0.644 -2.371 14.394 1.00 0.00 C ATOM 465 O CYS A 32 -0.256 -3.304 15.096 1.00 0.00 O ATOM 466 CB CYS A 32 -2.046 -0.419 15.201 1.00 0.00 C ATOM 467 SG CYS A 32 -2.982 -1.638 16.194 1.00 0.00 S ATOM 0 H CYS A 32 -0.503 0.276 13.230 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.118 -0.918 15.894 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.998 0.533 15.729 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.560 -0.235 14.257 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.180 -1.187 16.418 1.00 0.00 H new ATOM 472 N GLY A 33 -1.091 -2.500 13.154 1.00 0.00 N ATOM 473 CA GLY A 33 -1.158 -3.802 12.514 1.00 0.00 C ATOM 474 C GLY A 33 -2.519 -4.017 11.848 1.00 0.00 C ATOM 475 O GLY A 33 -3.026 -5.137 11.812 1.00 0.00 O ATOM 0 H GLY A 33 -1.411 -1.723 12.575 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.367 -3.886 11.769 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.983 -4.584 13.253 1.00 0.00 H new ATOM 479 N ARG A 34 -3.071 -2.927 11.338 1.00 0.00 N ATOM 480 CA ARG A 34 -4.363 -2.982 10.675 1.00 0.00 C ATOM 481 C ARG A 34 -4.182 -3.255 9.181 1.00 0.00 C ATOM 482 O ARG A 34 -3.173 -2.869 8.593 1.00 0.00 O ATOM 483 CB ARG A 34 -5.132 -1.672 10.858 1.00 0.00 C ATOM 484 CG ARG A 34 -5.060 -0.812 9.594 1.00 0.00 C ATOM 485 CD ARG A 34 -5.703 0.557 9.825 1.00 0.00 C ATOM 486 NE ARG A 34 -6.772 0.450 10.843 1.00 0.00 N ATOM 487 CZ ARG A 34 -8.037 0.063 10.574 1.00 0.00 C ATOM 488 NH1 ARG A 34 -8.403 -0.257 9.314 1.00 0.00 N ATOM 489 NH2 ARG A 34 -8.911 0.003 11.561 1.00 0.00 N ATOM 0 H ARG A 34 -2.647 -2.000 11.370 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.934 -3.792 11.129 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.173 -1.888 11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.720 -1.119 11.702 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.019 -0.683 9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.566 -1.322 8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.948 1.272 10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.116 0.936 8.890 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.538 0.683 11.808 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.721 -0.207 8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.361 -0.548 9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.627 0.247 12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.871 -0.287 11.375 1.00 0.00 H new ATOM 499 N THR A 35 -5.176 -3.917 8.609 1.00 0.00 N ATOM 500 CA THR A 35 -5.140 -4.246 7.194 1.00 0.00 C ATOM 501 C THR A 35 -5.265 -2.977 6.348 1.00 0.00 C ATOM 502 O THR A 35 -6.210 -2.206 6.515 1.00 0.00 O ATOM 503 CB THR A 35 -6.242 -5.271 6.918 1.00 0.00 C ATOM 504 OG1 THR A 35 -5.892 -6.384 7.735 1.00 0.00 O ATOM 505 CG2 THR A 35 -6.184 -5.823 5.493 1.00 0.00 C ATOM 0 H THR A 35 -6.012 -4.235 9.100 1.00 0.00 H new ATOM 0 HA THR A 35 -4.185 -4.692 6.916 1.00 0.00 H new ATOM 0 HB THR A 35 -7.216 -4.813 7.091 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.555 -7.096 7.619 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.987 -6.546 5.350 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.300 -5.006 4.781 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.223 -6.312 5.331 1.00 0.00 H new ATOM 513 N VAL A 36 -4.299 -2.799 5.459 1.00 0.00 N ATOM 514 CA VAL A 36 -4.289 -1.637 4.587 1.00 0.00 C ATOM 515 C VAL A 36 -4.506 -2.089 3.140 1.00 0.00 C ATOM 516 O VAL A 36 -5.111 -1.369 2.346 1.00 0.00 O ATOM 517 CB VAL A 36 -2.992 -0.850 4.778 1.00 0.00 C ATOM 518 CG1 VAL A 36 -2.970 -0.154 6.141 1.00 0.00 C ATOM 519 CG2 VAL A 36 -1.770 -1.755 4.604 1.00 0.00 C ATOM 0 H VAL A 36 -3.517 -3.440 5.324 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.104 -0.961 4.843 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.950 -0.080 4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.037 0.399 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.811 0.536 6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.046 -0.900 6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.861 -1.170 4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.803 -2.557 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.774 -2.183 3.602 1.00 0.00 H new ATOM 529 N ALA A 37 -4.003 -3.278 2.843 1.00 0.00 N ATOM 530 CA ALA A 37 -4.135 -3.833 1.507 1.00 0.00 C ATOM 531 C ALA A 37 -4.213 -5.358 1.599 1.00 0.00 C ATOM 532 O ALA A 37 -3.481 -5.976 2.371 1.00 0.00 O ATOM 533 CB ALA A 37 -2.965 -3.361 0.640 1.00 0.00 C ATOM 0 H ALA A 37 -3.503 -3.872 3.505 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.053 -3.483 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.064 -3.777 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.970 -2.273 0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.027 -3.697 1.081 1.00 0.00 H new ATOM 539 N GLU A 38 -5.109 -5.921 0.801 1.00 0.00 N ATOM 540 CA GLU A 38 -5.293 -7.362 0.784 1.00 0.00 C ATOM 541 C GLU A 38 -5.273 -7.882 -0.656 1.00 0.00 C ATOM 542 O GLU A 38 -5.944 -7.333 -1.528 1.00 0.00 O ATOM 543 CB GLU A 38 -6.591 -7.758 1.490 1.00 0.00 C ATOM 544 CG GLU A 38 -6.301 -8.560 2.761 1.00 0.00 C ATOM 545 CD GLU A 38 -7.308 -9.699 2.933 1.00 0.00 C ATOM 546 OE1 GLU A 38 -7.372 -10.603 2.086 1.00 0.00 O ATOM 547 OE2 GLU A 38 -8.042 -9.624 3.991 1.00 0.00 O ATOM 0 H GLU A 38 -5.715 -5.406 0.162 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.467 -7.820 1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.160 -6.863 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.210 -8.350 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.291 -8.967 2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.341 -7.901 3.628 1.00 0.00 H new ATOM 616 N ASN A 45 -5.718 -5.376 -3.943 1.00 0.00 N ATOM 617 CA ASN A 45 -6.499 -4.152 -3.888 1.00 0.00 C ATOM 618 C ASN A 45 -6.061 -3.327 -2.676 1.00 0.00 C ATOM 619 O ASN A 45 -5.960 -3.850 -1.568 1.00 0.00 O ATOM 620 CB ASN A 45 -7.991 -4.456 -3.739 1.00 0.00 C ATOM 621 CG ASN A 45 -8.805 -3.751 -4.825 1.00 0.00 C ATOM 622 OD1 ASN A 45 -9.080 -2.564 -4.758 1.00 0.00 O ATOM 623 ND2 ASN A 45 -9.174 -4.544 -5.826 1.00 0.00 N ATOM 0 HA ASN A 45 -6.334 -3.605 -4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.154 -5.532 -3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.335 -4.135 -2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.721 -4.167 -6.600 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.910 -5.529 -5.820 1.00 0.00 H new ATOM 629 N ILE A 46 -5.815 -2.049 -2.928 1.00 0.00 N ATOM 630 CA ILE A 46 -5.391 -1.146 -1.871 1.00 0.00 C ATOM 631 C ILE A 46 -6.622 -0.617 -1.134 1.00 0.00 C ATOM 632 O ILE A 46 -7.409 0.141 -1.699 1.00 0.00 O ATOM 633 CB ILE A 46 -4.491 -0.045 -2.437 1.00 0.00 C ATOM 634 CG1 ILE A 46 -3.323 -0.641 -3.224 1.00 0.00 C ATOM 635 CG2 ILE A 46 -4.014 0.895 -1.329 1.00 0.00 C ATOM 636 CD1 ILE A 46 -2.159 0.348 -3.313 1.00 0.00 C ATOM 0 H ILE A 46 -5.901 -1.618 -3.848 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.784 -1.676 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.079 0.551 -3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.988 -1.560 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.655 -0.908 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.376 1.668 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.876 1.360 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.449 0.328 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.342 -0.101 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.491 1.256 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.813 0.595 -2.309 1.00 0.00 H new ATOM 647 N LYS A 47 -6.750 -1.038 0.116 1.00 0.00 N ATOM 648 CA LYS A 47 -7.873 -0.616 0.936 1.00 0.00 C ATOM 649 C LYS A 47 -7.481 0.639 1.721 1.00 0.00 C ATOM 650 O LYS A 47 -7.888 0.809 2.869 1.00 0.00 O ATOM 651 CB LYS A 47 -8.354 -1.768 1.819 1.00 0.00 C ATOM 652 CG LYS A 47 -8.239 -3.106 1.087 1.00 0.00 C ATOM 653 CD LYS A 47 -9.462 -3.986 1.354 1.00 0.00 C ATOM 654 CE LYS A 47 -9.287 -5.372 0.732 1.00 0.00 C ATOM 655 NZ LYS A 47 -10.516 -5.777 0.013 1.00 0.00 N ATOM 0 H LYS A 47 -6.095 -1.667 0.581 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.724 -0.349 0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.764 -1.799 2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.390 -1.598 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.140 -2.931 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.336 -3.625 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.617 -4.083 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.353 -3.510 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.442 -5.364 0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.057 -6.100 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.380 -6.720 -0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.315 -5.804 0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.718 -5.091 -0.742 1.00 0.00 H new ATOM 664 N ALA A 48 -6.698 1.486 1.069 1.00 0.00 N ATOM 665 CA ALA A 48 -6.248 2.719 1.691 1.00 0.00 C ATOM 666 C ALA A 48 -6.146 3.814 0.627 1.00 0.00 C ATOM 667 O ALA A 48 -6.106 3.522 -0.568 1.00 0.00 O ATOM 668 CB ALA A 48 -4.917 2.475 2.406 1.00 0.00 C ATOM 0 H ALA A 48 -6.364 1.342 0.116 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.964 3.054 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.580 3.401 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.050 1.710 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.172 2.140 1.684 1.00 0.00 H new ATOM 674 N GLU A 49 -6.106 5.051 1.099 1.00 0.00 N ATOM 675 CA GLU A 49 -6.009 6.191 0.203 1.00 0.00 C ATOM 676 C GLU A 49 -4.591 6.307 -0.358 1.00 0.00 C ATOM 677 O GLU A 49 -3.626 6.388 0.401 1.00 0.00 O ATOM 678 CB GLU A 49 -6.427 7.482 0.911 1.00 0.00 C ATOM 679 CG GLU A 49 -6.254 8.693 -0.010 1.00 0.00 C ATOM 680 CD GLU A 49 -7.085 9.879 0.485 1.00 0.00 C ATOM 681 OE1 GLU A 49 -6.793 10.439 1.551 1.00 0.00 O ATOM 682 OE2 GLU A 49 -8.064 10.216 -0.285 1.00 0.00 O ATOM 0 H GLU A 49 -6.139 5.289 2.090 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.695 6.033 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.467 7.407 1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.829 7.617 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.202 8.974 -0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.556 8.430 -1.024 1.00 0.00 H new ATOM 688 N ILE A 50 -4.509 6.312 -1.679 1.00 0.00 N ATOM 689 CA ILE A 50 -3.224 6.418 -2.350 1.00 0.00 C ATOM 690 C ILE A 50 -2.863 7.894 -2.522 1.00 0.00 C ATOM 691 O ILE A 50 -3.740 8.731 -2.735 1.00 0.00 O ATOM 692 CB ILE A 50 -3.239 5.630 -3.661 1.00 0.00 C ATOM 693 CG1 ILE A 50 -3.680 4.184 -3.428 1.00 0.00 C ATOM 694 CG2 ILE A 50 -1.881 5.709 -4.363 1.00 0.00 C ATOM 695 CD1 ILE A 50 -3.228 3.281 -4.577 1.00 0.00 C ATOM 0 H ILE A 50 -5.312 6.244 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.438 5.968 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.973 6.087 -4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.263 3.820 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.765 4.142 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.918 5.141 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.645 6.750 -4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.111 5.293 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.554 2.259 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.666 3.634 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.141 3.306 -4.654 1.00 0.00 H new ATOM 706 N ILE A 51 -1.571 8.169 -2.425 1.00 0.00 N ATOM 707 CA ILE A 51 -1.083 9.531 -2.568 1.00 0.00 C ATOM 708 C ILE A 51 -0.492 9.712 -3.968 1.00 0.00 C ATOM 709 O ILE A 51 -0.839 10.657 -4.673 1.00 0.00 O ATOM 710 CB ILE A 51 -0.108 9.872 -1.440 1.00 0.00 C ATOM 711 CG1 ILE A 51 -0.855 10.163 -0.138 1.00 0.00 C ATOM 712 CG2 ILE A 51 0.815 11.024 -1.842 1.00 0.00 C ATOM 713 CD1 ILE A 51 -1.386 8.873 0.491 1.00 0.00 C ATOM 0 H ILE A 51 -0.847 7.473 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.904 10.242 -2.474 1.00 0.00 H new ATOM 0 HB ILE A 51 0.523 9.002 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.189 10.666 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.683 10.844 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.498 11.246 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.388 10.740 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.218 11.908 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.913 9.109 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.071 8.385 -0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.553 8.205 0.709 1.00 0.00 H new ATOM 724 N GLU A 52 0.390 8.790 -4.327 1.00 0.00 N ATOM 725 CA GLU A 52 1.031 8.837 -5.629 1.00 0.00 C ATOM 726 C GLU A 52 2.203 7.854 -5.679 1.00 0.00 C ATOM 727 O GLU A 52 2.386 7.054 -4.763 1.00 0.00 O ATOM 728 CB GLU A 52 1.491 10.256 -5.964 1.00 0.00 C ATOM 729 CG GLU A 52 0.764 10.793 -7.199 1.00 0.00 C ATOM 730 CD GLU A 52 1.089 9.950 -8.435 1.00 0.00 C ATOM 731 OE1 GLU A 52 0.411 8.946 -8.696 1.00 0.00 O ATOM 732 OE2 GLU A 52 2.085 10.374 -9.135 1.00 0.00 O ATOM 0 H GLU A 52 0.675 8.007 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 52 0.301 8.541 -6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.304 10.912 -5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.567 10.261 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.312 10.788 -7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.054 11.829 -7.374 1.00 0.00 H new ATOM 738 N TYR A 53 2.968 7.948 -6.756 1.00 0.00 N ATOM 739 CA TYR A 53 4.117 7.078 -6.938 1.00 0.00 C ATOM 740 C TYR A 53 5.242 7.448 -5.969 1.00 0.00 C ATOM 741 O TYR A 53 5.491 8.627 -5.721 1.00 0.00 O ATOM 742 CB TYR A 53 4.599 7.308 -8.371 1.00 0.00 C ATOM 743 CG TYR A 53 3.663 6.742 -9.440 1.00 0.00 C ATOM 744 CD1 TYR A 53 3.211 5.441 -9.344 1.00 0.00 C ATOM 745 CD2 TYR A 53 3.270 7.532 -10.502 1.00 0.00 C ATOM 746 CE1 TYR A 53 2.329 4.909 -10.351 1.00 0.00 C ATOM 747 CE2 TYR A 53 2.388 7.000 -11.509 1.00 0.00 C ATOM 748 CZ TYR A 53 1.962 5.715 -11.383 1.00 0.00 C ATOM 749 OH TYR A 53 1.129 5.211 -12.334 1.00 0.00 O ATOM 0 H TYR A 53 2.814 8.614 -7.513 1.00 0.00 H new ATOM 0 HA TYR A 53 3.845 6.039 -6.751 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.717 8.379 -8.536 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.584 6.857 -8.489 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.519 4.822 -8.514 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.624 8.549 -10.578 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.967 3.893 -10.288 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.073 7.608 -12.344 1.00 0.00 H new ATOM 0 HH TYR A 53 0.950 5.898 -13.010 1.00 0.00 H new ATOM 758 N VAL A 54 5.892 6.418 -5.446 1.00 0.00 N ATOM 759 CA VAL A 54 6.985 6.620 -4.510 1.00 0.00 C ATOM 760 C VAL A 54 8.204 7.157 -5.263 1.00 0.00 C ATOM 761 O VAL A 54 8.268 7.071 -6.488 1.00 0.00 O ATOM 762 CB VAL A 54 7.273 5.321 -3.754 1.00 0.00 C ATOM 763 CG1 VAL A 54 7.800 5.610 -2.347 1.00 0.00 C ATOM 764 CG2 VAL A 54 6.030 4.430 -3.702 1.00 0.00 C ATOM 0 H VAL A 54 5.683 5.441 -5.653 1.00 0.00 H new ATOM 0 HA VAL A 54 6.713 7.363 -3.760 1.00 0.00 H new ATOM 0 HB VAL A 54 8.049 4.782 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.996 4.670 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.723 6.186 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.057 6.180 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.262 3.513 -3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.224 4.959 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.717 4.182 -4.716 1.00 0.00 H new