USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 310 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: W 19 TYR OH : rot 130:sc= 0.988 USER MOD Set 1.2: W 28 SER OG : rot -94:sc= 1.29 USER MOD Single : W 6 SER OG : rot 118:sc= -1.6! USER MOD Single : W 9 THR OG1 : rot 180:sc= -0.889! USER MOD Single : W 11 TYR OH : rot 180:sc= 0 USER MOD Single : W 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : W 13 THR OG1 : rot 119:sc= 1.25 USER MOD Single : W 17 LYS NZ :NH3+ 169:sc= -0.117 (180deg=-0.477) USER MOD Single : W 18 THR OG1 : rot 180:sc= 0 USER MOD Single : W 20 TYR OH : rot 180:sc= 0 USER MOD Single : W 21 TYR OH : rot 180:sc= 0 USER MOD Single : W 22 ASN : amide:sc= -11.4! C(o=-11!,f=-19!) USER MOD Single : W 23 ASN :FLIP amide:sc= -0.0547 F(o=-2.7!,f=-0.055) USER MOD Single : W 25 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : W 29 THR OG1 : rot 180:sc= 0 USER MOD Single : W 32 LYS NZ :NH3+ -114:sc= 1.15 (180deg=0.0272) USER MOD Single : W 34 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL W 5 -5.506 -11.037 -8.253 1.00 0.00 N ATOM 45 CA VAL W 5 -4.655 -9.924 -7.879 1.00 0.00 C ATOM 46 C VAL W 5 -5.476 -8.643 -7.788 1.00 0.00 C ATOM 47 O VAL W 5 -6.197 -8.284 -8.724 1.00 0.00 O ATOM 48 CB VAL W 5 -3.504 -9.725 -8.889 1.00 0.00 C ATOM 49 CG1 VAL W 5 -2.533 -8.652 -8.414 1.00 0.00 C ATOM 50 CG2 VAL W 5 -2.776 -11.037 -9.149 1.00 0.00 C ATOM 0 HA VAL W 5 -4.221 -10.154 -6.906 1.00 0.00 H new ATOM 0 HB VAL W 5 -3.941 -9.387 -9.828 1.00 0.00 H new ATOM 0 HG11 VAL W 5 -1.734 -8.535 -9.146 1.00 0.00 H new ATOM 0 HG12 VAL W 5 -3.063 -7.706 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL W 5 -2.106 -8.946 -7.455 1.00 0.00 H new ATOM 0 HG21 VAL W 5 -1.970 -10.870 -9.864 1.00 0.00 H new ATOM 0 HG22 VAL W 5 -2.360 -11.414 -8.214 1.00 0.00 H new ATOM 0 HG23 VAL W 5 -3.476 -11.767 -9.555 1.00 0.00 H new ATOM 60 N SER W 6 -5.367 -7.970 -6.656 1.00 0.00 N ATOM 61 CA SER W 6 -6.056 -6.709 -6.446 1.00 0.00 C ATOM 62 C SER W 6 -5.323 -5.592 -7.126 1.00 0.00 C ATOM 63 O SER W 6 -4.210 -5.771 -7.624 1.00 0.00 O ATOM 64 CB SER W 6 -6.197 -6.419 -4.961 1.00 0.00 C ATOM 65 OG SER W 6 -6.767 -7.526 -4.282 1.00 0.00 O ATOM 0 H SER W 6 -4.804 -8.278 -5.863 1.00 0.00 H new ATOM 0 HA SER W 6 -7.053 -6.786 -6.880 1.00 0.00 H new ATOM 0 HB2 SER W 6 -5.219 -6.191 -4.536 1.00 0.00 H new ATOM 0 HB3 SER W 6 -6.821 -5.537 -4.816 1.00 0.00 H new ATOM 0 HG SER W 6 -6.131 -7.865 -3.618 1.00 0.00 H new ATOM 71 N GLU W 7 -5.946 -4.437 -7.150 1.00 0.00 N ATOM 72 CA GLU W 7 -5.276 -3.278 -7.645 1.00 0.00 C ATOM 73 C GLU W 7 -4.302 -2.856 -6.574 1.00 0.00 C ATOM 74 O GLU W 7 -4.684 -2.400 -5.492 1.00 0.00 O ATOM 75 CB GLU W 7 -6.260 -2.158 -7.977 1.00 0.00 C ATOM 76 CG GLU W 7 -7.397 -2.583 -8.897 1.00 0.00 C ATOM 77 CD GLU W 7 -6.918 -3.184 -10.204 1.00 0.00 C ATOM 78 OE1 GLU W 7 -6.189 -2.496 -10.955 1.00 0.00 O ATOM 79 OE2 GLU W 7 -7.272 -4.347 -10.489 1.00 0.00 O ATOM 0 H GLU W 7 -6.904 -4.285 -6.835 1.00 0.00 H new ATOM 0 HA GLU W 7 -4.757 -3.501 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU W 7 -6.682 -1.773 -7.049 1.00 0.00 H new ATOM 0 HB3 GLU W 7 -5.716 -1.337 -8.444 1.00 0.00 H new ATOM 0 HG2 GLU W 7 -8.022 -3.310 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU W 7 -8.024 -1.718 -9.111 1.00 0.00 H new ATOM 86 N TRP W 8 -3.048 -3.045 -6.894 1.00 0.00 N ATOM 87 CA TRP W 8 -1.969 -2.875 -5.939 1.00 0.00 C ATOM 88 C TRP W 8 -1.099 -1.695 -6.346 1.00 0.00 C ATOM 89 O TRP W 8 -0.463 -1.719 -7.402 1.00 0.00 O ATOM 90 CB TRP W 8 -1.061 -4.126 -5.934 1.00 0.00 C ATOM 91 CG TRP W 8 -1.682 -5.401 -5.432 1.00 0.00 C ATOM 92 CD1 TRP W 8 -1.489 -6.666 -5.917 1.00 0.00 C ATOM 93 CD2 TRP W 8 -2.582 -5.536 -4.350 1.00 0.00 C ATOM 94 NE1 TRP W 8 -2.187 -7.578 -5.162 1.00 0.00 N ATOM 95 CE2 TRP W 8 -2.884 -6.902 -4.196 1.00 0.00 C ATOM 96 CE3 TRP W 8 -3.152 -4.629 -3.498 1.00 0.00 C ATOM 97 CZ2 TRP W 8 -3.747 -7.363 -3.198 1.00 0.00 C ATOM 98 CZ3 TRP W 8 -4.006 -5.076 -2.533 1.00 0.00 C ATOM 99 CH2 TRP W 8 -4.305 -6.420 -2.376 1.00 0.00 C ATOM 0 H TRP W 8 -2.739 -3.322 -7.826 1.00 0.00 H new ATOM 0 HA TRP W 8 -2.412 -2.714 -4.956 1.00 0.00 H new ATOM 0 HB2 TRP W 8 -0.707 -4.296 -6.951 1.00 0.00 H new ATOM 0 HB3 TRP W 8 -0.184 -3.909 -5.324 1.00 0.00 H new ATOM 0 HD1 TRP W 8 -0.876 -6.913 -6.771 1.00 0.00 H new ATOM 0 HE1 TRP W 8 -2.186 -8.589 -5.298 1.00 0.00 H new ATOM 0 HE3 TRP W 8 -2.929 -3.576 -3.588 1.00 0.00 H new ATOM 0 HZ2 TRP W 8 -3.964 -8.414 -3.080 1.00 0.00 H new ATOM 0 HZ3 TRP W 8 -4.465 -4.358 -1.869 1.00 0.00 H new ATOM 0 HH2 TRP W 8 -4.986 -6.728 -1.596 1.00 0.00 H new ATOM 110 N THR W 9 -1.096 -0.654 -5.523 1.00 0.00 N ATOM 111 CA THR W 9 -0.241 0.500 -5.772 1.00 0.00 C ATOM 112 C THR W 9 0.916 0.552 -4.823 1.00 0.00 C ATOM 113 O THR W 9 0.955 -0.120 -3.792 1.00 0.00 O ATOM 114 CB THR W 9 -0.993 1.860 -5.713 1.00 0.00 C ATOM 115 OG1 THR W 9 -0.137 2.952 -5.341 1.00 0.00 O ATOM 116 CG2 THR W 9 -2.175 1.818 -4.755 1.00 0.00 C ATOM 0 H THR W 9 -1.671 -0.585 -4.684 1.00 0.00 H new ATOM 0 HA THR W 9 0.119 0.358 -6.791 1.00 0.00 H new ATOM 0 HB THR W 9 -1.354 2.029 -6.727 1.00 0.00 H new ATOM 0 HG1 THR W 9 -0.657 3.783 -5.320 1.00 0.00 H new ATOM 0 HG21 THR W 9 -2.671 2.789 -4.746 1.00 0.00 H new ATOM 0 HG22 THR W 9 -2.880 1.054 -5.081 1.00 0.00 H new ATOM 0 HG23 THR W 9 -1.822 1.581 -3.751 1.00 0.00 H new ATOM 124 N GLU W 10 1.827 1.405 -5.188 1.00 0.00 N ATOM 125 CA GLU W 10 2.990 1.691 -4.386 1.00 0.00 C ATOM 126 C GLU W 10 2.873 3.088 -3.801 1.00 0.00 C ATOM 127 O GLU W 10 2.930 4.093 -4.505 1.00 0.00 O ATOM 128 CB GLU W 10 4.259 1.534 -5.209 1.00 0.00 C ATOM 129 CG GLU W 10 4.331 2.438 -6.427 1.00 0.00 C ATOM 130 CD GLU W 10 5.607 2.247 -7.215 1.00 0.00 C ATOM 131 OE1 GLU W 10 6.683 2.613 -6.709 1.00 0.00 O ATOM 132 OE2 GLU W 10 5.536 1.740 -8.354 1.00 0.00 O ATOM 0 H GLU W 10 1.787 1.931 -6.061 1.00 0.00 H new ATOM 0 HA GLU W 10 3.047 0.978 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU W 10 5.119 1.735 -4.571 1.00 0.00 H new ATOM 0 HB3 GLU W 10 4.340 0.497 -5.535 1.00 0.00 H new ATOM 0 HG2 GLU W 10 3.476 2.240 -7.073 1.00 0.00 H new ATOM 0 HG3 GLU W 10 4.257 3.478 -6.109 1.00 0.00 H new ATOM 139 N TYR W 11 2.654 3.139 -2.510 1.00 0.00 N ATOM 140 CA TYR W 11 2.464 4.398 -1.824 1.00 0.00 C ATOM 141 C TYR W 11 3.406 4.470 -0.638 1.00 0.00 C ATOM 142 O TYR W 11 3.122 3.951 0.435 1.00 0.00 O ATOM 143 CB TYR W 11 1.011 4.540 -1.368 1.00 0.00 C ATOM 144 CG TYR W 11 0.345 5.805 -1.858 1.00 0.00 C ATOM 145 CD1 TYR W 11 0.940 7.041 -1.661 1.00 0.00 C ATOM 146 CD2 TYR W 11 -0.873 5.762 -2.522 1.00 0.00 C ATOM 147 CE1 TYR W 11 0.342 8.202 -2.102 1.00 0.00 C ATOM 148 CE2 TYR W 11 -1.480 6.917 -2.971 1.00 0.00 C ATOM 149 CZ TYR W 11 -0.871 8.137 -2.759 1.00 0.00 C ATOM 150 OH TYR W 11 -1.469 9.290 -3.211 1.00 0.00 O ATOM 0 H TYR W 11 2.602 2.318 -1.907 1.00 0.00 H new ATOM 0 HA TYR W 11 2.686 5.219 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR W 11 0.442 3.680 -1.721 1.00 0.00 H new ATOM 0 HB3 TYR W 11 0.977 4.520 -0.279 1.00 0.00 H new ATOM 0 HD1 TYR W 11 1.891 7.096 -1.152 1.00 0.00 H new ATOM 0 HD2 TYR W 11 -1.353 4.809 -2.690 1.00 0.00 H new ATOM 0 HE1 TYR W 11 0.819 9.156 -1.935 1.00 0.00 H new ATOM 0 HE2 TYR W 11 -2.428 6.866 -3.486 1.00 0.00 H new ATOM 0 HH TYR W 11 -2.316 9.068 -3.652 1.00 0.00 H new ATOM 160 N LYS W 12 4.545 5.088 -0.842 1.00 0.00 N ATOM 161 CA LYS W 12 5.585 5.086 0.168 1.00 0.00 C ATOM 162 C LYS W 12 5.459 6.301 1.070 1.00 0.00 C ATOM 163 O LYS W 12 5.464 7.436 0.597 1.00 0.00 O ATOM 164 CB LYS W 12 6.957 5.047 -0.508 1.00 0.00 C ATOM 165 CG LYS W 12 7.035 4.025 -1.625 1.00 0.00 C ATOM 166 CD LYS W 12 8.356 4.100 -2.366 1.00 0.00 C ATOM 167 CE LYS W 12 8.323 3.255 -3.630 1.00 0.00 C ATOM 168 NZ LYS W 12 9.645 3.209 -4.308 1.00 0.00 N ATOM 0 H LYS W 12 4.778 5.598 -1.694 1.00 0.00 H new ATOM 0 HA LYS W 12 5.475 4.198 0.791 1.00 0.00 H new ATOM 0 HB2 LYS W 12 7.187 6.034 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS W 12 7.718 4.821 0.239 1.00 0.00 H new ATOM 0 HG2 LYS W 12 6.906 3.025 -1.212 1.00 0.00 H new ATOM 0 HG3 LYS W 12 6.216 4.189 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS W 12 8.574 5.137 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS W 12 9.161 3.757 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS W 12 8.009 2.242 -3.380 1.00 0.00 H new ATOM 0 HE3 LYS W 12 7.578 3.659 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS W 12 9.576 2.622 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS W 12 9.934 4.173 -4.571 1.00 0.00 H new ATOM 0 HZ3 LYS W 12 10.351 2.799 -3.664 1.00 0.00 H new ATOM 182 N THR W 13 5.348 6.049 2.368 1.00 0.00 N ATOM 183 CA THR W 13 5.123 7.102 3.341 1.00 0.00 C ATOM 184 C THR W 13 6.400 7.906 3.579 1.00 0.00 C ATOM 185 O THR W 13 7.443 7.623 2.983 1.00 0.00 O ATOM 186 CB THR W 13 4.616 6.506 4.674 1.00 0.00 C ATOM 187 OG1 THR W 13 5.595 5.608 5.218 1.00 0.00 O ATOM 188 CG2 THR W 13 3.311 5.757 4.460 1.00 0.00 C ATOM 0 H THR W 13 5.411 5.114 2.771 1.00 0.00 H new ATOM 0 HA THR W 13 4.362 7.773 2.942 1.00 0.00 H new ATOM 0 HB THR W 13 4.447 7.326 5.372 1.00 0.00 H new ATOM 0 HG1 THR W 13 5.895 5.940 6.090 1.00 0.00 H new ATOM 0 HG21 THR W 13 2.969 5.344 5.409 1.00 0.00 H new ATOM 0 HG22 THR W 13 2.558 6.442 4.070 1.00 0.00 H new ATOM 0 HG23 THR W 13 3.469 4.947 3.748 1.00 0.00 H new ATOM 196 N ALA W 14 6.318 8.891 4.472 1.00 0.00 N ATOM 197 CA ALA W 14 7.456 9.762 4.779 1.00 0.00 C ATOM 198 C ALA W 14 8.627 8.975 5.355 1.00 0.00 C ATOM 199 O ALA W 14 9.747 9.479 5.437 1.00 0.00 O ATOM 200 CB ALA W 14 7.032 10.858 5.741 1.00 0.00 C ATOM 0 H ALA W 14 5.472 9.108 4.999 1.00 0.00 H new ATOM 0 HA ALA W 14 7.790 10.215 3.846 1.00 0.00 H new ATOM 0 HB1 ALA W 14 7.886 11.499 5.962 1.00 0.00 H new ATOM 0 HB2 ALA W 14 6.239 11.453 5.288 1.00 0.00 H new ATOM 0 HB3 ALA W 14 6.666 10.410 6.665 1.00 0.00 H new ATOM 206 N ASP W 15 8.358 7.741 5.757 1.00 0.00 N ATOM 207 CA ASP W 15 9.389 6.842 6.260 1.00 0.00 C ATOM 208 C ASP W 15 10.364 6.461 5.156 1.00 0.00 C ATOM 209 O ASP W 15 11.532 6.168 5.413 1.00 0.00 O ATOM 210 CB ASP W 15 8.766 5.548 6.781 1.00 0.00 C ATOM 211 CG ASP W 15 7.766 5.755 7.893 1.00 0.00 C ATOM 212 OD1 ASP W 15 6.658 6.259 7.611 1.00 0.00 O ATOM 213 OD2 ASP W 15 8.076 5.378 9.045 1.00 0.00 O ATOM 0 H ASP W 15 7.422 7.335 5.744 1.00 0.00 H new ATOM 0 HA ASP W 15 9.909 7.369 7.060 1.00 0.00 H new ATOM 0 HB2 ASP W 15 8.275 5.034 5.955 1.00 0.00 H new ATOM 0 HB3 ASP W 15 9.560 4.892 7.137 1.00 0.00 H new ATOM 218 N GLY W 16 9.873 6.468 3.924 1.00 0.00 N ATOM 219 CA GLY W 16 10.618 5.885 2.825 1.00 0.00 C ATOM 220 C GLY W 16 10.426 4.380 2.770 1.00 0.00 C ATOM 221 O GLY W 16 11.238 3.656 2.200 1.00 0.00 O ATOM 0 H GLY W 16 8.971 6.868 3.666 1.00 0.00 H new ATOM 0 HA2 GLY W 16 10.293 6.330 1.885 1.00 0.00 H new ATOM 0 HA3 GLY W 16 11.677 6.115 2.937 1.00 0.00 H new ATOM 225 N LYS W 17 9.331 3.920 3.368 1.00 0.00 N ATOM 226 CA LYS W 17 8.984 2.509 3.363 1.00 0.00 C ATOM 227 C LYS W 17 7.999 2.235 2.238 1.00 0.00 C ATOM 228 O LYS W 17 7.186 3.096 1.898 1.00 0.00 O ATOM 229 CB LYS W 17 8.357 2.095 4.703 1.00 0.00 C ATOM 230 CG LYS W 17 9.288 2.207 5.904 1.00 0.00 C ATOM 231 CD LYS W 17 8.575 1.810 7.192 1.00 0.00 C ATOM 232 CE LYS W 17 9.512 1.790 8.396 1.00 0.00 C ATOM 233 NZ LYS W 17 9.997 3.147 8.773 1.00 0.00 N ATOM 0 H LYS W 17 8.666 4.512 3.865 1.00 0.00 H new ATOM 0 HA LYS W 17 9.894 1.928 3.212 1.00 0.00 H new ATOM 0 HB2 LYS W 17 7.478 2.713 4.883 1.00 0.00 H new ATOM 0 HB3 LYS W 17 8.011 1.064 4.624 1.00 0.00 H new ATOM 0 HG2 LYS W 17 10.158 1.567 5.754 1.00 0.00 H new ATOM 0 HG3 LYS W 17 9.655 3.230 5.989 1.00 0.00 H new ATOM 0 HD2 LYS W 17 7.759 2.508 7.382 1.00 0.00 H new ATOM 0 HD3 LYS W 17 8.128 0.824 7.067 1.00 0.00 H new ATOM 0 HE2 LYS W 17 8.995 1.345 9.246 1.00 0.00 H new ATOM 0 HE3 LYS W 17 10.368 1.152 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS W 17 10.473 3.101 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS W 17 10.667 3.488 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS W 17 9.190 3.800 8.831 1.00 0.00 H new ATOM 247 N THR W 18 8.064 1.045 1.667 1.00 0.00 N ATOM 248 CA THR W 18 7.193 0.696 0.560 1.00 0.00 C ATOM 249 C THR W 18 5.856 0.172 1.074 1.00 0.00 C ATOM 250 O THR W 18 5.715 -1.003 1.393 1.00 0.00 O ATOM 251 CB THR W 18 7.851 -0.356 -0.353 1.00 0.00 C ATOM 252 OG1 THR W 18 9.189 0.061 -0.679 1.00 0.00 O ATOM 253 CG2 THR W 18 7.052 -0.547 -1.635 1.00 0.00 C ATOM 0 H THR W 18 8.708 0.307 1.951 1.00 0.00 H new ATOM 0 HA THR W 18 7.020 1.600 -0.023 1.00 0.00 H new ATOM 0 HB THR W 18 7.876 -1.306 0.181 1.00 0.00 H new ATOM 0 HG1 THR W 18 9.608 -0.609 -1.258 1.00 0.00 H new ATOM 0 HG21 THR W 18 7.540 -1.295 -2.260 1.00 0.00 H new ATOM 0 HG22 THR W 18 6.044 -0.881 -1.389 1.00 0.00 H new ATOM 0 HG23 THR W 18 6.999 0.398 -2.175 1.00 0.00 H new ATOM 261 N TYR W 19 4.897 1.075 1.182 1.00 0.00 N ATOM 262 CA TYR W 19 3.571 0.752 1.670 1.00 0.00 C ATOM 263 C TYR W 19 2.627 0.522 0.486 1.00 0.00 C ATOM 264 O TYR W 19 2.686 1.224 -0.526 1.00 0.00 O ATOM 265 CB TYR W 19 3.143 1.888 2.632 1.00 0.00 C ATOM 266 CG TYR W 19 1.667 2.245 2.720 1.00 0.00 C ATOM 267 CD1 TYR W 19 0.647 1.304 2.599 1.00 0.00 C ATOM 268 CD2 TYR W 19 1.294 3.565 2.946 1.00 0.00 C ATOM 269 CE1 TYR W 19 -0.677 1.667 2.692 1.00 0.00 C ATOM 270 CE2 TYR W 19 -0.008 3.915 3.036 1.00 0.00 C ATOM 271 CZ TYR W 19 -0.999 2.977 2.911 1.00 0.00 C ATOM 272 OH TYR W 19 -2.317 3.354 3.012 1.00 0.00 O ATOM 0 H TYR W 19 5.018 2.056 0.932 1.00 0.00 H new ATOM 0 HA TYR W 19 3.545 -0.180 2.235 1.00 0.00 H new ATOM 0 HB2 TYR W 19 3.480 1.619 3.633 1.00 0.00 H new ATOM 0 HB3 TYR W 19 3.686 2.788 2.344 1.00 0.00 H new ATOM 0 HD1 TYR W 19 0.901 0.268 2.429 1.00 0.00 H new ATOM 0 HD2 TYR W 19 2.057 4.322 3.051 1.00 0.00 H new ATOM 0 HE1 TYR W 19 -1.454 0.924 2.593 1.00 0.00 H new ATOM 0 HE2 TYR W 19 -0.271 4.948 3.209 1.00 0.00 H new ATOM 0 HH TYR W 19 -2.442 3.895 3.820 1.00 0.00 H new ATOM 282 N TYR W 20 1.779 -0.491 0.612 1.00 0.00 N ATOM 283 CA TYR W 20 0.911 -0.922 -0.430 1.00 0.00 C ATOM 284 C TYR W 20 -0.527 -0.472 -0.161 1.00 0.00 C ATOM 285 O TYR W 20 -1.058 -0.673 0.931 1.00 0.00 O ATOM 286 CB TYR W 20 0.959 -2.440 -0.420 1.00 0.00 C ATOM 287 CG TYR W 20 2.149 -3.078 -1.103 1.00 0.00 C ATOM 288 CD1 TYR W 20 2.251 -3.116 -2.488 1.00 0.00 C ATOM 289 CD2 TYR W 20 3.160 -3.674 -0.352 1.00 0.00 C ATOM 290 CE1 TYR W 20 3.329 -3.723 -3.106 1.00 0.00 C ATOM 291 CE2 TYR W 20 4.242 -4.279 -0.963 1.00 0.00 C ATOM 292 CZ TYR W 20 4.322 -4.302 -2.342 1.00 0.00 C ATOM 293 OH TYR W 20 5.397 -4.898 -2.964 1.00 0.00 O ATOM 0 H TYR W 20 1.688 -1.036 1.469 1.00 0.00 H new ATOM 0 HA TYR W 20 1.222 -0.501 -1.386 1.00 0.00 H new ATOM 0 HB2 TYR W 20 0.939 -2.776 0.617 1.00 0.00 H new ATOM 0 HB3 TYR W 20 0.051 -2.814 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR W 20 1.477 -2.665 -3.091 1.00 0.00 H new ATOM 0 HD2 TYR W 20 3.097 -3.663 0.726 1.00 0.00 H new ATOM 0 HE1 TYR W 20 3.394 -3.744 -4.184 1.00 0.00 H new ATOM 0 HE2 TYR W 20 5.020 -4.731 -0.366 1.00 0.00 H new ATOM 0 HH TYR W 20 6.008 -5.257 -2.288 1.00 0.00 H new ATOM 303 N TYR W 21 -1.181 0.094 -1.157 1.00 0.00 N ATOM 304 CA TYR W 21 -2.563 0.503 -0.982 1.00 0.00 C ATOM 305 C TYR W 21 -3.449 -0.359 -1.875 1.00 0.00 C ATOM 306 O TYR W 21 -3.264 -0.438 -3.090 1.00 0.00 O ATOM 307 CB TYR W 21 -2.765 2.003 -1.278 1.00 0.00 C ATOM 308 CG TYR W 21 -4.150 2.521 -0.896 1.00 0.00 C ATOM 309 CD1 TYR W 21 -5.247 2.249 -1.706 1.00 0.00 C ATOM 310 CD2 TYR W 21 -4.364 3.277 0.263 1.00 0.00 C ATOM 311 CE1 TYR W 21 -6.510 2.703 -1.379 1.00 0.00 C ATOM 312 CE2 TYR W 21 -5.626 3.733 0.589 1.00 0.00 C ATOM 313 CZ TYR W 21 -6.693 3.444 -0.233 1.00 0.00 C ATOM 314 OH TYR W 21 -7.951 3.890 0.096 1.00 0.00 O ATOM 0 H TYR W 21 -0.788 0.279 -2.080 1.00 0.00 H new ATOM 0 HA TYR W 21 -2.842 0.357 0.062 1.00 0.00 H new ATOM 0 HB2 TYR W 21 -2.011 2.576 -0.739 1.00 0.00 H new ATOM 0 HB3 TYR W 21 -2.600 2.180 -2.341 1.00 0.00 H new ATOM 0 HD1 TYR W 21 -5.109 1.672 -2.608 1.00 0.00 H new ATOM 0 HD2 TYR W 21 -3.531 3.507 0.911 1.00 0.00 H new ATOM 0 HE1 TYR W 21 -7.350 2.478 -2.019 1.00 0.00 H new ATOM 0 HE2 TYR W 21 -5.776 4.315 1.486 1.00 0.00 H new ATOM 0 HH TYR W 21 -7.910 4.397 0.934 1.00 0.00 H new ATOM 324 N ASN W 22 -4.389 -1.020 -1.234 1.00 0.00 N ATOM 325 CA ASN W 22 -5.233 -2.020 -1.860 1.00 0.00 C ATOM 326 C ASN W 22 -6.510 -1.397 -2.405 1.00 0.00 C ATOM 327 O ASN W 22 -7.255 -0.758 -1.670 1.00 0.00 O ATOM 328 CB ASN W 22 -5.588 -3.077 -0.808 1.00 0.00 C ATOM 329 CG ASN W 22 -6.597 -4.092 -1.302 1.00 0.00 C ATOM 330 OD1 ASN W 22 -6.706 -4.329 -2.497 1.00 0.00 O ATOM 331 ND2 ASN W 22 -7.317 -4.718 -0.387 1.00 0.00 N ATOM 0 H ASN W 22 -4.593 -0.876 -0.245 1.00 0.00 H new ATOM 0 HA ASN W 22 -4.696 -2.470 -2.695 1.00 0.00 H new ATOM 0 HB2 ASN W 22 -4.680 -3.596 -0.502 1.00 0.00 H new ATOM 0 HB3 ASN W 22 -5.985 -2.581 0.078 1.00 0.00 H new ATOM 0 HD21 ASN W 22 -7.993 -5.428 -0.668 1.00 0.00 H new ATOM 0 HD22 ASN W 22 -7.196 -4.491 0.600 1.00 0.00 H new ATOM 338 N ASN W 23 -6.761 -1.591 -3.691 1.00 0.00 N ATOM 339 CA ASN W 23 -8.002 -1.118 -4.302 1.00 0.00 C ATOM 340 C ASN W 23 -9.004 -2.265 -4.462 1.00 0.00 C ATOM 341 O ASN W 23 -9.941 -2.161 -5.246 1.00 0.00 O ATOM 342 CB ASN W 23 -7.739 -0.467 -5.671 1.00 0.00 C ATOM 343 CG ASN W 23 -7.027 0.879 -5.602 1.00 0.00 C ATOM 344 OD1 ASN W 23 -6.122 1.038 -4.654 1.00 0.00 O flip ATOM 345 ND2 ASN W 23 -7.273 1.762 -6.422 1.00 0.00 N flip ATOM 0 H ASN W 23 -6.128 -2.070 -4.332 1.00 0.00 H new ATOM 0 HA ASN W 23 -8.425 -0.367 -3.635 1.00 0.00 H new ATOM 0 HB2 ASN W 23 -7.142 -1.150 -6.276 1.00 0.00 H new ATOM 0 HB3 ASN W 23 -8.691 -0.335 -6.186 1.00 0.00 H new ATOM 0 HD21 ASN W 23 -7.978 1.607 -7.142 1.00 0.00 H new ATOM 0 HD22 ASN W 23 -6.772 2.649 -6.382 1.00 0.00 H new ATOM 352 N ARG W 24 -8.795 -3.359 -3.722 1.00 0.00 N ATOM 353 CA ARG W 24 -9.732 -4.486 -3.725 1.00 0.00 C ATOM 354 C ARG W 24 -11.105 -4.001 -3.257 1.00 0.00 C ATOM 355 O ARG W 24 -11.962 -3.635 -4.057 1.00 0.00 O ATOM 356 CB ARG W 24 -9.246 -5.619 -2.805 1.00 0.00 C ATOM 357 CG ARG W 24 -10.061 -6.907 -2.885 1.00 0.00 C ATOM 358 CD ARG W 24 -9.796 -7.664 -4.178 1.00 0.00 C ATOM 359 NE ARG W 24 -10.216 -9.064 -4.094 1.00 0.00 N ATOM 360 CZ ARG W 24 -9.415 -10.102 -4.357 1.00 0.00 C ATOM 361 NH1 ARG W 24 -8.147 -9.901 -4.698 1.00 0.00 N ATOM 362 NH2 ARG W 24 -9.882 -11.339 -4.260 1.00 0.00 N ATOM 0 H ARG W 24 -7.986 -3.487 -3.114 1.00 0.00 H new ATOM 0 HA ARG W 24 -9.797 -4.878 -4.740 1.00 0.00 H new ATOM 0 HB2 ARG W 24 -8.209 -5.847 -3.051 1.00 0.00 H new ATOM 0 HB3 ARG W 24 -9.259 -5.262 -1.775 1.00 0.00 H new ATOM 0 HG2 ARG W 24 -9.818 -7.544 -2.035 1.00 0.00 H new ATOM 0 HG3 ARG W 24 -11.123 -6.670 -2.813 1.00 0.00 H new ATOM 0 HD2 ARG W 24 -10.324 -7.176 -4.997 1.00 0.00 H new ATOM 0 HD3 ARG W 24 -8.732 -7.619 -4.412 1.00 0.00 H new ATOM 0 HE ARG W 24 -11.178 -9.260 -3.818 1.00 0.00 H new ATOM 0 HH11 ARG W 24 -7.780 -8.951 -4.760 1.00 0.00 H new ATOM 0 HH12 ARG W 24 -7.540 -10.696 -4.898 1.00 0.00 H new ATOM 0 HH21 ARG W 24 -10.851 -11.498 -3.985 1.00 0.00 H new ATOM 0 HH22 ARG W 24 -9.272 -12.132 -4.460 1.00 0.00 H new ATOM 376 N THR W 25 -11.296 -4.013 -1.949 1.00 0.00 N ATOM 377 CA THR W 25 -12.434 -3.368 -1.318 1.00 0.00 C ATOM 378 C THR W 25 -11.990 -2.057 -0.679 1.00 0.00 C ATOM 379 O THR W 25 -12.690 -1.497 0.168 1.00 0.00 O ATOM 380 CB THR W 25 -13.046 -4.284 -0.245 1.00 0.00 C ATOM 381 OG1 THR W 25 -12.001 -4.844 0.563 1.00 0.00 O ATOM 382 CG2 THR W 25 -13.858 -5.400 -0.887 1.00 0.00 C ATOM 0 H THR W 25 -10.664 -4.472 -1.293 1.00 0.00 H new ATOM 0 HA THR W 25 -13.188 -3.168 -2.079 1.00 0.00 H new ATOM 0 HB THR W 25 -13.713 -3.690 0.381 1.00 0.00 H new ATOM 0 HG1 THR W 25 -12.393 -5.426 1.247 1.00 0.00 H new ATOM 0 HG21 THR W 25 -14.281 -6.036 -0.109 1.00 0.00 H new ATOM 0 HG22 THR W 25 -14.663 -4.968 -1.481 1.00 0.00 H new ATOM 0 HG23 THR W 25 -13.211 -5.996 -1.531 1.00 0.00 H new ATOM 390 N LEU W 26 -10.819 -1.583 -1.116 1.00 0.00 N ATOM 391 CA LEU W 26 -10.126 -0.444 -0.508 1.00 0.00 C ATOM 392 C LEU W 26 -9.561 -0.818 0.862 1.00 0.00 C ATOM 393 O LEU W 26 -10.268 -0.837 1.868 1.00 0.00 O ATOM 394 CB LEU W 26 -11.016 0.800 -0.414 1.00 0.00 C ATOM 395 CG LEU W 26 -11.370 1.443 -1.760 1.00 0.00 C ATOM 396 CD1 LEU W 26 -12.179 2.708 -1.548 1.00 0.00 C ATOM 397 CD2 LEU W 26 -10.115 1.761 -2.563 1.00 0.00 C ATOM 0 H LEU W 26 -10.321 -1.984 -1.910 1.00 0.00 H new ATOM 0 HA LEU W 26 -9.296 -0.189 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU W 26 -11.940 0.530 0.098 1.00 0.00 H new ATOM 0 HB3 LEU W 26 -10.514 1.542 0.206 1.00 0.00 H new ATOM 0 HG LEU W 26 -11.968 0.727 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU W 26 -12.421 3.151 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU W 26 -13.100 2.466 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU W 26 -11.597 3.417 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU W 26 -10.396 2.216 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU W 26 -9.489 2.453 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU W 26 -9.561 0.841 -2.751 1.00 0.00 H new ATOM 409 N GLU W 27 -8.275 -1.130 0.871 1.00 0.00 N ATOM 410 CA GLU W 27 -7.565 -1.535 2.077 1.00 0.00 C ATOM 411 C GLU W 27 -6.160 -0.944 2.035 1.00 0.00 C ATOM 412 O GLU W 27 -5.688 -0.539 0.974 1.00 0.00 O ATOM 413 CB GLU W 27 -7.488 -3.072 2.158 1.00 0.00 C ATOM 414 CG GLU W 27 -6.765 -3.612 3.384 1.00 0.00 C ATOM 415 CD GLU W 27 -7.349 -3.113 4.695 1.00 0.00 C ATOM 416 OE1 GLU W 27 -7.206 -1.907 5.000 1.00 0.00 O ATOM 417 OE2 GLU W 27 -7.948 -3.927 5.429 1.00 0.00 O ATOM 0 H GLU W 27 -7.689 -1.110 0.036 1.00 0.00 H new ATOM 0 HA GLU W 27 -8.096 -1.171 2.957 1.00 0.00 H new ATOM 0 HB2 GLU W 27 -8.501 -3.474 2.145 1.00 0.00 H new ATOM 0 HB3 GLU W 27 -6.986 -3.444 1.265 1.00 0.00 H new ATOM 0 HG2 GLU W 27 -6.803 -4.701 3.369 1.00 0.00 H new ATOM 0 HG3 GLU W 27 -5.714 -3.329 3.331 1.00 0.00 H new ATOM 424 N SER W 28 -5.512 -0.853 3.174 1.00 0.00 N ATOM 425 CA SER W 28 -4.172 -0.485 3.258 1.00 0.00 C ATOM 426 C SER W 28 -3.347 -1.677 3.752 1.00 0.00 C ATOM 427 O SER W 28 -3.793 -2.405 4.639 1.00 0.00 O ATOM 428 CB SER W 28 -4.171 0.615 4.270 1.00 0.00 C ATOM 429 OG SER W 28 -4.428 1.880 3.684 1.00 0.00 O ATOM 0 H SER W 28 -5.942 -1.045 4.079 1.00 0.00 H new ATOM 0 HA SER W 28 -3.743 -0.174 2.306 1.00 0.00 H new ATOM 0 HB2 SER W 28 -4.925 0.408 5.030 1.00 0.00 H new ATOM 0 HB3 SER W 28 -3.206 0.640 4.776 1.00 0.00 H new ATOM 0 HG SER W 28 -3.579 2.319 3.467 1.00 0.00 H new ATOM 435 N THR W 29 -2.172 -1.898 3.193 1.00 0.00 N ATOM 436 CA THR W 29 -1.330 -2.986 3.663 1.00 0.00 C ATOM 437 C THR W 29 0.145 -2.591 3.583 1.00 0.00 C ATOM 438 O THR W 29 0.521 -1.731 2.796 1.00 0.00 O ATOM 439 CB THR W 29 -1.617 -4.298 2.891 1.00 0.00 C ATOM 440 OG1 THR W 29 -0.790 -5.360 3.375 1.00 0.00 O ATOM 441 CG2 THR W 29 -1.417 -4.127 1.396 1.00 0.00 C ATOM 0 H THR W 29 -1.782 -1.350 2.426 1.00 0.00 H new ATOM 0 HA THR W 29 -1.570 -3.177 4.709 1.00 0.00 H new ATOM 0 HB THR W 29 -2.663 -4.552 3.064 1.00 0.00 H new ATOM 0 HG1 THR W 29 -0.987 -6.181 2.877 1.00 0.00 H new ATOM 0 HG21 THR W 29 -1.628 -5.069 0.891 1.00 0.00 H new ATOM 0 HG22 THR W 29 -2.093 -3.357 1.024 1.00 0.00 H new ATOM 0 HG23 THR W 29 -0.386 -3.832 1.198 1.00 0.00 H new ATOM 449 N TRP W 30 0.973 -3.194 4.422 1.00 0.00 N ATOM 450 CA TRP W 30 2.363 -2.767 4.541 1.00 0.00 C ATOM 451 C TRP W 30 3.269 -3.521 3.580 1.00 0.00 C ATOM 452 O TRP W 30 3.784 -2.935 2.634 1.00 0.00 O ATOM 453 CB TRP W 30 2.856 -2.897 5.985 1.00 0.00 C ATOM 454 CG TRP W 30 2.573 -1.671 6.801 1.00 0.00 C ATOM 455 CD1 TRP W 30 1.515 -1.457 7.641 1.00 0.00 C ATOM 456 CD2 TRP W 30 3.362 -0.475 6.831 1.00 0.00 C ATOM 457 NE1 TRP W 30 1.604 -0.199 8.190 1.00 0.00 N ATOM 458 CE2 TRP W 30 2.727 0.426 7.702 1.00 0.00 C ATOM 459 CE3 TRP W 30 4.545 -0.082 6.196 1.00 0.00 C ATOM 460 CZ2 TRP W 30 3.239 1.703 7.954 1.00 0.00 C ATOM 461 CZ3 TRP W 30 5.052 1.178 6.450 1.00 0.00 C ATOM 462 CH2 TRP W 30 4.395 2.059 7.315 1.00 0.00 C ATOM 0 H TRP W 30 0.713 -3.973 5.026 1.00 0.00 H new ATOM 0 HA TRP W 30 2.405 -1.714 4.264 1.00 0.00 H new ATOM 0 HB2 TRP W 30 2.379 -3.759 6.452 1.00 0.00 H new ATOM 0 HB3 TRP W 30 3.929 -3.089 5.983 1.00 0.00 H new ATOM 0 HD1 TRP W 30 0.728 -2.169 7.843 1.00 0.00 H new ATOM 0 HE1 TRP W 30 0.943 0.205 8.853 1.00 0.00 H new ATOM 0 HE3 TRP W 30 5.053 -0.752 5.519 1.00 0.00 H new ATOM 0 HZ2 TRP W 30 2.740 2.383 8.628 1.00 0.00 H new ATOM 0 HZ3 TRP W 30 5.970 1.487 5.973 1.00 0.00 H new ATOM 0 HH2 TRP W 30 4.809 3.042 7.482 1.00 0.00 H new ATOM 473 N GLU W 31 3.455 -4.811 3.809 1.00 0.00 N ATOM 474 CA GLU W 31 4.309 -5.604 2.937 1.00 0.00 C ATOM 475 C GLU W 31 3.497 -6.272 1.842 1.00 0.00 C ATOM 476 O GLU W 31 2.278 -6.107 1.775 1.00 0.00 O ATOM 477 CB GLU W 31 5.078 -6.653 3.728 1.00 0.00 C ATOM 478 CG GLU W 31 6.247 -6.087 4.510 1.00 0.00 C ATOM 479 CD GLU W 31 7.359 -5.579 3.612 1.00 0.00 C ATOM 480 OE1 GLU W 31 7.749 -6.300 2.666 1.00 0.00 O ATOM 481 OE2 GLU W 31 7.864 -4.466 3.858 1.00 0.00 O ATOM 0 H GLU W 31 3.033 -5.327 4.581 1.00 0.00 H new ATOM 0 HA GLU W 31 5.026 -4.925 2.475 1.00 0.00 H new ATOM 0 HB2 GLU W 31 4.395 -7.148 4.419 1.00 0.00 H new ATOM 0 HB3 GLU W 31 5.446 -7.416 3.042 1.00 0.00 H new ATOM 0 HG2 GLU W 31 5.895 -5.272 5.143 1.00 0.00 H new ATOM 0 HG3 GLU W 31 6.643 -6.857 5.172 1.00 0.00 H new ATOM 488 N LYS W 32 4.188 -7.037 1.002 1.00 0.00 N ATOM 489 CA LYS W 32 3.582 -7.661 -0.166 1.00 0.00 C ATOM 490 C LYS W 32 2.391 -8.542 0.209 1.00 0.00 C ATOM 491 O LYS W 32 2.517 -9.488 0.986 1.00 0.00 O ATOM 492 CB LYS W 32 4.628 -8.477 -0.937 1.00 0.00 C ATOM 493 CG LYS W 32 5.246 -9.616 -0.139 1.00 0.00 C ATOM 494 CD LYS W 32 6.355 -10.305 -0.914 1.00 0.00 C ATOM 495 CE LYS W 32 5.875 -10.806 -2.269 1.00 0.00 C ATOM 496 NZ LYS W 32 4.836 -11.864 -2.156 1.00 0.00 N ATOM 0 H LYS W 32 5.181 -7.240 1.113 1.00 0.00 H new ATOM 0 HA LYS W 32 3.208 -6.862 -0.806 1.00 0.00 H new ATOM 0 HB2 LYS W 32 4.163 -8.887 -1.833 1.00 0.00 H new ATOM 0 HB3 LYS W 32 5.422 -7.808 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS W 32 5.643 -9.230 0.800 1.00 0.00 H new ATOM 0 HG3 LYS W 32 4.474 -10.342 0.116 1.00 0.00 H new ATOM 0 HD2 LYS W 32 7.183 -9.611 -1.056 1.00 0.00 H new ATOM 0 HD3 LYS W 32 6.738 -11.143 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS W 32 5.474 -9.969 -2.840 1.00 0.00 H new ATOM 0 HE3 LYS W 32 6.725 -11.196 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS W 32 5.213 -12.762 -2.522 1.00 0.00 H new ATOM 0 HZ2 LYS W 32 4.568 -11.982 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS W 32 3.999 -11.589 -2.709 1.00 0.00 H new ATOM 510 N PRO W 33 1.210 -8.187 -0.313 1.00 0.00 N ATOM 511 CA PRO W 33 -0.004 -9.010 -0.222 1.00 0.00 C ATOM 512 C PRO W 33 0.233 -10.483 -0.582 1.00 0.00 C ATOM 513 O PRO W 33 1.214 -10.820 -1.243 1.00 0.00 O ATOM 514 CB PRO W 33 -0.886 -8.359 -1.286 1.00 0.00 C ATOM 515 CG PRO W 33 -0.537 -6.921 -1.211 1.00 0.00 C ATOM 516 CD PRO W 33 0.948 -6.899 -0.997 1.00 0.00 C ATOM 0 HA PRO W 33 -0.414 -9.037 0.788 1.00 0.00 H new ATOM 0 HB2 PRO W 33 -0.684 -8.767 -2.276 1.00 0.00 H new ATOM 0 HB3 PRO W 33 -1.944 -8.524 -1.083 1.00 0.00 H new ATOM 0 HG2 PRO W 33 -0.813 -6.399 -2.127 1.00 0.00 H new ATOM 0 HG3 PRO W 33 -1.062 -6.428 -0.393 1.00 0.00 H new ATOM 0 HD2 PRO W 33 1.490 -6.826 -1.940 1.00 0.00 H new ATOM 0 HD3 PRO W 33 1.254 -6.049 -0.387 1.00 0.00 H new ATOM 524 N GLN W 34 -0.669 -11.358 -0.159 1.00 0.00 N ATOM 525 CA GLN W 34 -0.627 -12.747 -0.603 1.00 0.00 C ATOM 526 C GLN W 34 -1.255 -12.857 -1.986 1.00 0.00 C ATOM 527 O GLN W 34 -1.127 -13.869 -2.672 1.00 0.00 O ATOM 528 CB GLN W 34 -1.330 -13.667 0.395 1.00 0.00 C ATOM 529 CG GLN W 34 -0.579 -13.819 1.710 1.00 0.00 C ATOM 530 CD GLN W 34 -1.207 -14.854 2.625 1.00 0.00 C ATOM 531 OE1 GLN W 34 -2.519 -15.014 2.536 1.00 0.00 O flip ATOM 532 NE2 GLN W 34 -0.515 -15.505 3.404 1.00 0.00 N flip ATOM 0 H GLN W 34 -1.430 -11.136 0.483 1.00 0.00 H new ATOM 0 HA GLN W 34 0.413 -13.068 -0.660 1.00 0.00 H new ATOM 0 HB2 GLN W 34 -2.327 -13.276 0.598 1.00 0.00 H new ATOM 0 HB3 GLN W 34 -1.459 -14.650 -0.057 1.00 0.00 H new ATOM 0 HG2 GLN W 34 0.454 -14.101 1.504 1.00 0.00 H new ATOM 0 HG3 GLN W 34 -0.551 -12.857 2.221 1.00 0.00 H new ATOM 0 HE21 GLN W 34 0.493 -15.351 3.442 1.00 0.00 H new ATOM 0 HE22 GLN W 34 -0.948 -16.199 4.013 1.00 0.00 H new ATOM 541 N GLU W 35 -1.923 -11.779 -2.387 1.00 0.00 N ATOM 542 CA GLU W 35 -2.425 -11.635 -3.747 1.00 0.00 C ATOM 543 C GLU W 35 -1.286 -11.108 -4.623 1.00 0.00 C ATOM 544 O GLU W 35 -1.451 -10.858 -5.817 1.00 0.00 O ATOM 545 CB GLU W 35 -3.600 -10.650 -3.791 1.00 0.00 C ATOM 546 CG GLU W 35 -4.455 -10.635 -2.527 1.00 0.00 C ATOM 547 CD GLU W 35 -5.330 -11.862 -2.355 1.00 0.00 C ATOM 548 OE1 GLU W 35 -4.793 -12.984 -2.334 1.00 0.00 O ATOM 549 OE2 GLU W 35 -6.558 -11.693 -2.189 1.00 0.00 O ATOM 0 H GLU W 35 -2.130 -10.985 -1.781 1.00 0.00 H new ATOM 0 HA GLU W 35 -2.776 -12.601 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU W 35 -3.211 -9.647 -3.964 1.00 0.00 H new ATOM 0 HB3 GLU W 35 -4.235 -10.898 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU W 35 -3.801 -10.545 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU W 35 -5.090 -9.749 -2.541 1.00 0.00 H new ATOM 556 N LEU W 36 -0.139 -10.907 -3.980 1.00 0.00 N ATOM 557 CA LEU W 36 1.074 -10.434 -4.629 1.00 0.00 C ATOM 558 C LEU W 36 2.068 -11.593 -4.683 1.00 0.00 C ATOM 559 O LEU W 36 2.544 -12.044 -3.641 1.00 0.00 O ATOM 560 CB LEU W 36 1.678 -9.280 -3.815 1.00 0.00 C ATOM 561 CG LEU W 36 2.259 -8.107 -4.602 1.00 0.00 C ATOM 562 CD1 LEU W 36 2.646 -8.518 -6.015 1.00 0.00 C ATOM 563 CD2 LEU W 36 1.286 -6.936 -4.621 1.00 0.00 C ATOM 0 H LEU W 36 -0.027 -11.071 -2.980 1.00 0.00 H new ATOM 0 HA LEU W 36 0.849 -10.079 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU W 36 0.905 -8.893 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU W 36 2.467 -9.688 -3.183 1.00 0.00 H new ATOM 0 HG LEU W 36 3.169 -7.787 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU W 36 3.055 -7.658 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU W 36 3.396 -9.308 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU W 36 1.764 -8.883 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU W 36 1.720 -6.112 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU W 36 0.352 -7.246 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU W 36 1.088 -6.611 -3.600 1.00 0.00 H new ATOM 622 N PRO P 103 1.728 13.937 -4.069 1.00 0.00 N ATOM 623 CA PRO P 103 0.555 13.579 -3.279 1.00 0.00 C ATOM 624 C PRO P 103 0.927 13.052 -1.898 1.00 0.00 C ATOM 625 O PRO P 103 1.984 12.438 -1.716 1.00 0.00 O ATOM 626 CB PRO P 103 -0.097 12.479 -4.115 1.00 0.00 C ATOM 627 CG PRO P 103 1.035 11.831 -4.839 1.00 0.00 C ATOM 628 CD PRO P 103 2.060 12.910 -5.075 1.00 0.00 C ATOM 0 HA PRO P 103 -0.093 14.435 -3.088 1.00 0.00 H new ATOM 0 HB2 PRO P 103 -0.625 11.763 -3.485 1.00 0.00 H new ATOM 0 HB3 PRO P 103 -0.828 12.891 -4.811 1.00 0.00 H new ATOM 0 HG2 PRO P 103 1.457 11.016 -4.251 1.00 0.00 H new ATOM 0 HG3 PRO P 103 0.698 11.402 -5.783 1.00 0.00 H new ATOM 0 HD2 PRO P 103 3.074 12.534 -4.943 1.00 0.00 H new ATOM 0 HD3 PRO P 103 1.997 13.307 -6.088 1.00 0.00 H new ATOM 636 N LEU P 104 0.072 13.313 -0.920 1.00 0.00 N ATOM 637 CA LEU P 104 0.268 12.759 0.408 1.00 0.00 C ATOM 638 C LEU P 104 -0.203 11.312 0.437 1.00 0.00 C ATOM 639 O LEU P 104 -1.158 10.944 -0.248 1.00 0.00 O ATOM 640 CB LEU P 104 -0.484 13.588 1.463 1.00 0.00 C ATOM 641 CG LEU P 104 0.157 14.931 1.845 1.00 0.00 C ATOM 642 CD1 LEU P 104 0.159 15.904 0.673 1.00 0.00 C ATOM 643 CD2 LEU P 104 -0.575 15.538 3.033 1.00 0.00 C ATOM 0 H LEU P 104 -0.756 13.900 -1.021 1.00 0.00 H new ATOM 0 HA LEU P 104 1.331 12.793 0.647 1.00 0.00 H new ATOM 0 HB2 LEU P 104 -1.492 13.780 1.095 1.00 0.00 H new ATOM 0 HB3 LEU P 104 -0.584 12.986 2.366 1.00 0.00 H new ATOM 0 HG LEU P 104 1.195 14.742 2.120 1.00 0.00 H new ATOM 0 HD11 LEU P 104 0.620 16.843 0.980 1.00 0.00 H new ATOM 0 HD12 LEU P 104 0.725 15.476 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU P 104 -0.866 16.091 0.353 1.00 0.00 H new ATOM 0 HD21 LEU P 104 -0.114 16.490 3.297 1.00 0.00 H new ATOM 0 HD22 LEU P 104 -1.620 15.701 2.771 1.00 0.00 H new ATOM 0 HD23 LEU P 104 -0.516 14.858 3.883 1.00 0.00 H new ATOM 655 N ILE P 105 0.478 10.502 1.223 1.00 0.00 N ATOM 656 CA ILE P 105 0.111 9.106 1.379 1.00 0.00 C ATOM 657 C ILE P 105 -1.021 8.978 2.392 1.00 0.00 C ATOM 658 O ILE P 105 -1.121 9.783 3.322 1.00 0.00 O ATOM 659 CB ILE P 105 1.330 8.204 1.786 1.00 0.00 C ATOM 660 CG1 ILE P 105 2.559 8.550 0.943 1.00 0.00 C ATOM 661 CG2 ILE P 105 1.001 6.737 1.592 1.00 0.00 C ATOM 662 CD1 ILE P 105 3.331 9.764 1.417 1.00 0.00 C ATOM 0 H ILE P 105 1.293 10.787 1.767 1.00 0.00 H new ATOM 0 HA ILE P 105 -0.230 8.746 0.408 1.00 0.00 H new ATOM 0 HB ILE P 105 1.543 8.391 2.838 1.00 0.00 H new ATOM 0 HG12 ILE P 105 3.230 7.691 0.934 1.00 0.00 H new ATOM 0 HG13 ILE P 105 2.241 8.718 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE P 105 1.860 6.130 1.880 1.00 0.00 H new ATOM 0 HG22 ILE P 105 0.145 6.471 2.212 1.00 0.00 H new ATOM 0 HG23 ILE P 105 0.762 6.553 0.545 1.00 0.00 H new ATOM 0 HD11 ILE P 105 4.184 9.932 0.760 1.00 0.00 H new ATOM 0 HD12 ILE P 105 2.681 10.639 1.399 1.00 0.00 H new ATOM 0 HD13 ILE P 105 3.685 9.596 2.434 1.00 0.00 H new ATOM 674 N PRO P 106 -1.892 7.975 2.228 1.00 0.00 N ATOM 675 CA PRO P 106 -2.786 7.558 3.301 1.00 0.00 C ATOM 676 C PRO P 106 -1.942 6.810 4.310 1.00 0.00 C ATOM 677 O PRO P 106 -0.944 6.236 3.925 1.00 0.00 O ATOM 678 CB PRO P 106 -3.753 6.569 2.612 1.00 0.00 C ATOM 679 CG PRO P 106 -3.531 6.731 1.148 1.00 0.00 C ATOM 680 CD PRO P 106 -2.125 7.225 0.984 1.00 0.00 C ATOM 0 HA PRO P 106 -3.311 8.374 3.797 1.00 0.00 H new ATOM 0 HB2 PRO P 106 -3.553 5.545 2.926 1.00 0.00 H new ATOM 0 HB3 PRO P 106 -4.788 6.787 2.876 1.00 0.00 H new ATOM 0 HG2 PRO P 106 -3.673 5.784 0.627 1.00 0.00 H new ATOM 0 HG3 PRO P 106 -4.243 7.439 0.723 1.00 0.00 H new ATOM 0 HD2 PRO P 106 -1.419 6.403 0.870 1.00 0.00 H new ATOM 0 HD3 PRO P 106 -2.020 7.860 0.104 1.00 0.00 H new ATOM 688 N PRO P 107 -2.233 6.826 5.603 1.00 0.00 N ATOM 689 CA PRO P 107 -1.422 6.038 6.508 1.00 0.00 C ATOM 690 C PRO P 107 -1.824 4.575 6.423 1.00 0.00 C ATOM 691 O PRO P 107 -3.006 4.263 6.273 1.00 0.00 O ATOM 692 CB PRO P 107 -1.762 6.617 7.894 1.00 0.00 C ATOM 693 CG PRO P 107 -2.693 7.773 7.657 1.00 0.00 C ATOM 694 CD PRO P 107 -3.282 7.582 6.286 1.00 0.00 C ATOM 0 HA PRO P 107 -0.356 6.082 6.284 1.00 0.00 H new ATOM 0 HB2 PRO P 107 -2.233 5.863 8.525 1.00 0.00 H new ATOM 0 HB3 PRO P 107 -0.859 6.945 8.409 1.00 0.00 H new ATOM 0 HG2 PRO P 107 -3.477 7.800 8.414 1.00 0.00 H new ATOM 0 HG3 PRO P 107 -2.157 8.720 7.719 1.00 0.00 H new ATOM 0 HD2 PRO P 107 -4.223 7.033 6.320 1.00 0.00 H new ATOM 0 HD3 PRO P 107 -3.485 8.533 5.794 1.00 0.00 H new ATOM 702 N PRO P 108 -0.860 3.650 6.512 1.00 0.00 N ATOM 703 CA PRO P 108 -1.153 2.236 6.631 1.00 0.00 C ATOM 704 C PRO P 108 -1.476 1.855 8.078 1.00 0.00 C ATOM 705 O PRO P 108 -0.962 2.473 9.017 1.00 0.00 O ATOM 706 CB PRO P 108 0.116 1.543 6.117 1.00 0.00 C ATOM 707 CG PRO P 108 1.105 2.630 5.852 1.00 0.00 C ATOM 708 CD PRO P 108 0.594 3.879 6.486 1.00 0.00 C ATOM 0 HA PRO P 108 -2.034 1.939 6.062 1.00 0.00 H new ATOM 0 HB2 PRO P 108 0.500 0.838 6.854 1.00 0.00 H new ATOM 0 HB3 PRO P 108 -0.091 0.975 5.210 1.00 0.00 H new ATOM 0 HG2 PRO P 108 2.080 2.366 6.261 1.00 0.00 H new ATOM 0 HG3 PRO P 108 1.237 2.773 4.779 1.00 0.00 H new ATOM 0 HD2 PRO P 108 1.000 4.022 7.487 1.00 0.00 H new ATOM 0 HD3 PRO P 108 0.855 4.765 5.907 1.00 0.00 H new ATOM 716 N PRO P 109 -2.327 0.841 8.270 1.00 0.00 N ATOM 717 CA PRO P 109 -2.691 0.348 9.598 1.00 0.00 C ATOM 718 C PRO P 109 -1.583 -0.503 10.221 1.00 0.00 C ATOM 719 O PRO P 109 -1.492 -1.703 9.897 1.00 0.00 O ATOM 720 CB PRO P 109 -3.937 -0.502 9.326 1.00 0.00 C ATOM 721 CG PRO P 109 -3.806 -0.940 7.907 1.00 0.00 C ATOM 722 CD PRO P 109 -3.032 0.129 7.200 1.00 0.00 C ATOM 723 OXT PRO P 109 -0.798 0.038 11.029 1.00 0.00 O ATOM 0 HA PRO P 109 -2.859 1.158 10.308 1.00 0.00 H new ATOM 0 HB2 PRO P 109 -3.985 -1.357 10.000 1.00 0.00 H new ATOM 0 HB3 PRO P 109 -4.849 0.075 9.478 1.00 0.00 H new ATOM 0 HG2 PRO P 109 -3.291 -1.898 7.843 1.00 0.00 H new ATOM 0 HG3 PRO P 109 -4.787 -1.075 7.451 1.00 0.00 H new ATOM 0 HD2 PRO P 109 -2.334 -0.297 6.480 1.00 0.00 H new ATOM 0 HD3 PRO P 109 -3.692 0.797 6.647 1.00 0.00 H new