USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, rem=0, adj=14 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 28:sc= 0.296 USER MOD Set 1.2: W 28 SER OG : rot 180:sc= 1 USER MOD Single : W 6 SER OG : rot 114:sc= 0.208 USER MOD Single : W 9 THR OG1 : rot -115:sc= -0.746 USER MOD Single : W 11 TYR OH : rot 180:sc=-0.00432 USER MOD Single : W 12 LYS NZ :NH3+ -130:sc= 1.21 (180deg=0.197) USER MOD Single : W 13 THR OG1 : rot 134:sc= 1.28 USER MOD Single : W 17 LYS NZ :NH3+ 141:sc= -2.18! (180deg=-4.53!) 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= -7.44! C(o=-7.4!,f=-21!) USER MOD Single : W 23 ASN : amide:sc= -0.066 X(o=-0.066,f=-0.0093) USER MOD Single : W 25 THR OG1 : rot -37:sc= 0.865 USER MOD Single : W 29 THR OG1 : rot 14:sc= -1.88! USER MOD Single : W 32 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0268) USER MOD Single : W 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL W 5 -4.533 -11.323 -7.743 1.00 0.00 N ATOM 45 CA VAL W 5 -3.962 -10.030 -7.402 1.00 0.00 C ATOM 46 C VAL W 5 -5.038 -8.948 -7.379 1.00 0.00 C ATOM 47 O VAL W 5 -5.800 -8.780 -8.337 1.00 0.00 O ATOM 48 CB VAL W 5 -2.813 -9.646 -8.362 1.00 0.00 C ATOM 49 CG1 VAL W 5 -3.253 -9.831 -9.789 1.00 0.00 C ATOM 50 CG2 VAL W 5 -2.321 -8.219 -8.128 1.00 0.00 C ATOM 0 HA VAL W 5 -3.540 -10.111 -6.400 1.00 0.00 H new ATOM 0 HB VAL W 5 -1.972 -10.309 -8.157 1.00 0.00 H new ATOM 0 HG11 VAL W 5 -2.438 -9.558 -10.459 1.00 0.00 H new ATOM 0 HG12 VAL W 5 -3.525 -10.874 -9.954 1.00 0.00 H new ATOM 0 HG13 VAL W 5 -4.115 -9.195 -9.989 1.00 0.00 H new ATOM 0 HG21 VAL W 5 -1.514 -7.994 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL W 5 -3.143 -7.520 -8.286 1.00 0.00 H new ATOM 0 HG23 VAL W 5 -1.955 -8.123 -7.106 1.00 0.00 H new ATOM 60 N SER W 6 -5.121 -8.254 -6.259 1.00 0.00 N ATOM 61 CA SER W 6 -6.042 -7.140 -6.106 1.00 0.00 C ATOM 62 C SER W 6 -5.454 -5.893 -6.720 1.00 0.00 C ATOM 63 O SER W 6 -4.369 -5.929 -7.300 1.00 0.00 O ATOM 64 CB SER W 6 -6.373 -6.928 -4.642 1.00 0.00 C ATOM 65 OG SER W 6 -6.858 -8.123 -4.052 1.00 0.00 O ATOM 0 H SER W 6 -4.555 -8.444 -5.432 1.00 0.00 H new ATOM 0 HA SER W 6 -6.970 -7.370 -6.629 1.00 0.00 H new ATOM 0 HB2 SER W 6 -5.484 -6.590 -4.110 1.00 0.00 H new ATOM 0 HB3 SER W 6 -7.121 -6.141 -4.545 1.00 0.00 H new ATOM 0 HG SER W 6 -6.219 -8.438 -3.379 1.00 0.00 H new ATOM 71 N GLU W 7 -6.164 -4.795 -6.610 1.00 0.00 N ATOM 72 CA GLU W 7 -5.657 -3.557 -7.124 1.00 0.00 C ATOM 73 C GLU W 7 -4.609 -3.066 -6.142 1.00 0.00 C ATOM 74 O GLU W 7 -4.933 -2.581 -5.057 1.00 0.00 O ATOM 75 CB GLU W 7 -6.772 -2.515 -7.305 1.00 0.00 C ATOM 76 CG GLU W 7 -8.197 -3.072 -7.286 1.00 0.00 C ATOM 77 CD GLU W 7 -8.504 -4.055 -8.402 1.00 0.00 C ATOM 78 OE1 GLU W 7 -8.408 -3.672 -9.587 1.00 0.00 O ATOM 79 OE2 GLU W 7 -8.859 -5.212 -8.090 1.00 0.00 O ATOM 0 H GLU W 7 -7.084 -4.739 -6.173 1.00 0.00 H new ATOM 0 HA GLU W 7 -5.224 -3.710 -8.113 1.00 0.00 H new ATOM 0 HB2 GLU W 7 -6.681 -1.769 -6.516 1.00 0.00 H new ATOM 0 HB3 GLU W 7 -6.614 -1.999 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU W 7 -8.369 -3.564 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU W 7 -8.899 -2.241 -7.348 1.00 0.00 H new ATOM 86 N TRP W 8 -3.351 -3.211 -6.527 1.00 0.00 N ATOM 87 CA TRP W 8 -2.230 -2.938 -5.632 1.00 0.00 C ATOM 88 C TRP W 8 -1.410 -1.783 -6.186 1.00 0.00 C ATOM 89 O TRP W 8 -0.894 -1.856 -7.302 1.00 0.00 O ATOM 90 CB TRP W 8 -1.274 -4.157 -5.529 1.00 0.00 C ATOM 91 CG TRP W 8 -1.867 -5.430 -4.984 1.00 0.00 C ATOM 92 CD1 TRP W 8 -1.603 -6.705 -5.385 1.00 0.00 C ATOM 93 CD2 TRP W 8 -2.827 -5.539 -3.961 1.00 0.00 C ATOM 94 NE1 TRP W 8 -2.324 -7.602 -4.636 1.00 0.00 N ATOM 95 CE2 TRP W 8 -3.110 -6.900 -3.765 1.00 0.00 C ATOM 96 CE3 TRP W 8 -3.474 -4.609 -3.200 1.00 0.00 C ATOM 97 CZ2 TRP W 8 -4.033 -7.337 -2.813 1.00 0.00 C ATOM 98 CZ3 TRP W 8 -4.397 -5.028 -2.289 1.00 0.00 C ATOM 99 CH2 TRP W 8 -4.687 -6.367 -2.091 1.00 0.00 C ATOM 0 H TRP W 8 -3.076 -3.518 -7.460 1.00 0.00 H new ATOM 0 HA TRP W 8 -2.647 -2.709 -4.651 1.00 0.00 H new ATOM 0 HB2 TRP W 8 -0.876 -4.364 -6.522 1.00 0.00 H new ATOM 0 HB3 TRP W 8 -0.430 -3.877 -4.899 1.00 0.00 H new ATOM 0 HD1 TRP W 8 -0.923 -6.972 -6.180 1.00 0.00 H new ATOM 0 HE1 TRP W 8 -2.281 -8.618 -4.716 1.00 0.00 H new ATOM 0 HE3 TRP W 8 -3.258 -3.557 -3.318 1.00 0.00 H new ATOM 0 HZ2 TRP W 8 -4.224 -8.388 -2.651 1.00 0.00 H new ATOM 0 HZ3 TRP W 8 -4.921 -4.289 -1.701 1.00 0.00 H new ATOM 0 HH2 TRP W 8 -5.433 -6.652 -1.364 1.00 0.00 H new ATOM 110 N THR W 9 -1.311 -0.703 -5.431 1.00 0.00 N ATOM 111 CA THR W 9 -0.421 0.379 -5.805 1.00 0.00 C ATOM 112 C THR W 9 0.783 0.413 -4.916 1.00 0.00 C ATOM 113 O THR W 9 0.834 -0.226 -3.871 1.00 0.00 O ATOM 114 CB THR W 9 -1.098 1.774 -5.798 1.00 0.00 C ATOM 115 OG1 THR W 9 -0.170 2.843 -5.565 1.00 0.00 O ATOM 116 CG2 THR W 9 -2.222 1.851 -4.776 1.00 0.00 C ATOM 0 H THR W 9 -1.830 -0.553 -4.566 1.00 0.00 H new ATOM 0 HA THR W 9 -0.126 0.168 -6.833 1.00 0.00 H new ATOM 0 HB THR W 9 -1.513 1.899 -6.798 1.00 0.00 H new ATOM 0 HG1 THR W 9 -0.376 3.274 -4.710 1.00 0.00 H new ATOM 0 HG21 THR W 9 -2.670 2.844 -4.802 1.00 0.00 H new ATOM 0 HG22 THR W 9 -2.980 1.104 -5.012 1.00 0.00 H new ATOM 0 HG23 THR W 9 -1.822 1.660 -3.780 1.00 0.00 H new ATOM 124 N GLU W 10 1.719 1.206 -5.335 1.00 0.00 N ATOM 125 CA GLU W 10 2.948 1.380 -4.590 1.00 0.00 C ATOM 126 C GLU W 10 3.009 2.794 -4.035 1.00 0.00 C ATOM 127 O GLU W 10 2.753 3.770 -4.740 1.00 0.00 O ATOM 128 CB GLU W 10 4.194 1.070 -5.427 1.00 0.00 C ATOM 129 CG GLU W 10 4.562 2.136 -6.443 1.00 0.00 C ATOM 130 CD GLU W 10 6.052 2.187 -6.674 1.00 0.00 C ATOM 131 OE1 GLU W 10 6.755 2.827 -5.860 1.00 0.00 O ATOM 132 OE2 GLU W 10 6.532 1.569 -7.644 1.00 0.00 O ATOM 0 H GLU W 10 1.664 1.752 -6.195 1.00 0.00 H new ATOM 0 HA GLU W 10 2.943 0.663 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU W 10 5.039 0.923 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU W 10 4.036 0.128 -5.952 1.00 0.00 H new ATOM 0 HG2 GLU W 10 4.053 1.933 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU W 10 4.213 3.108 -6.095 1.00 0.00 H new ATOM 139 N TYR W 11 3.302 2.888 -2.761 1.00 0.00 N ATOM 140 CA TYR W 11 3.385 4.161 -2.075 1.00 0.00 C ATOM 141 C TYR W 11 4.453 4.095 -1.002 1.00 0.00 C ATOM 142 O TYR W 11 4.805 3.015 -0.541 1.00 0.00 O ATOM 143 CB TYR W 11 2.042 4.493 -1.430 1.00 0.00 C ATOM 144 CG TYR W 11 1.154 5.406 -2.238 1.00 0.00 C ATOM 145 CD1 TYR W 11 1.447 6.753 -2.345 1.00 0.00 C ATOM 146 CD2 TYR W 11 0.001 4.934 -2.845 1.00 0.00 C ATOM 147 CE1 TYR W 11 0.624 7.617 -3.035 1.00 0.00 C ATOM 148 CE2 TYR W 11 -0.830 5.783 -3.551 1.00 0.00 C ATOM 149 CZ TYR W 11 -0.518 7.127 -3.642 1.00 0.00 C ATOM 150 OH TYR W 11 -1.350 7.976 -4.336 1.00 0.00 O ATOM 0 H TYR W 11 3.491 2.082 -2.165 1.00 0.00 H new ATOM 0 HA TYR W 11 3.641 4.936 -2.797 1.00 0.00 H new ATOM 0 HB2 TYR W 11 1.506 3.562 -1.243 1.00 0.00 H new ATOM 0 HB3 TYR W 11 2.226 4.955 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR W 11 2.341 7.137 -1.877 1.00 0.00 H new ATOM 0 HD2 TYR W 11 -0.252 3.887 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR W 11 0.869 8.667 -3.101 1.00 0.00 H new ATOM 0 HE2 TYR W 11 -1.719 5.399 -4.029 1.00 0.00 H new ATOM 0 HH TYR W 11 -2.105 7.469 -4.700 1.00 0.00 H new ATOM 160 N LYS W 12 5.011 5.231 -0.636 1.00 0.00 N ATOM 161 CA LYS W 12 5.884 5.276 0.516 1.00 0.00 C ATOM 162 C LYS W 12 5.461 6.400 1.432 1.00 0.00 C ATOM 163 O LYS W 12 5.148 7.494 0.972 1.00 0.00 O ATOM 164 CB LYS W 12 7.360 5.463 0.123 1.00 0.00 C ATOM 165 CG LYS W 12 7.871 4.542 -0.981 1.00 0.00 C ATOM 166 CD LYS W 12 7.617 5.120 -2.368 1.00 0.00 C ATOM 167 CE LYS W 12 8.527 4.493 -3.413 1.00 0.00 C ATOM 168 NZ LYS W 12 8.268 3.040 -3.604 1.00 0.00 N ATOM 0 H LYS W 12 4.878 6.123 -1.113 1.00 0.00 H new ATOM 0 HA LYS W 12 5.797 4.317 1.028 1.00 0.00 H new ATOM 0 HB2 LYS W 12 7.505 6.496 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS W 12 7.975 5.313 1.010 1.00 0.00 H new ATOM 0 HG2 LYS W 12 8.940 4.375 -0.848 1.00 0.00 H new ATOM 0 HG3 LYS W 12 7.383 3.571 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS W 12 6.576 4.955 -2.646 1.00 0.00 H new ATOM 0 HD3 LYS W 12 7.775 6.198 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS W 12 8.392 5.010 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS W 12 9.566 4.637 -3.117 1.00 0.00 H new ATOM 0 HZ1 LYS W 12 9.166 2.517 -3.550 1.00 0.00 H new ATOM 0 HZ2 LYS W 12 7.625 2.701 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS W 12 7.832 2.885 -4.536 1.00 0.00 H new ATOM 182 N THR W 13 5.448 6.127 2.720 1.00 0.00 N ATOM 183 CA THR W 13 5.067 7.129 3.696 1.00 0.00 C ATOM 184 C THR W 13 6.301 7.731 4.358 1.00 0.00 C ATOM 185 O THR W 13 7.435 7.407 3.991 1.00 0.00 O ATOM 186 CB THR W 13 4.129 6.526 4.757 1.00 0.00 C ATOM 187 OG1 THR W 13 4.689 5.310 5.272 1.00 0.00 O ATOM 188 CG2 THR W 13 2.756 6.254 4.157 1.00 0.00 C ATOM 0 H THR W 13 5.697 5.221 3.116 1.00 0.00 H new ATOM 0 HA THR W 13 4.532 7.924 3.176 1.00 0.00 H new ATOM 0 HB THR W 13 4.018 7.241 5.573 1.00 0.00 H new ATOM 0 HG1 THR W 13 4.627 5.310 6.250 1.00 0.00 H new ATOM 0 HG21 THR W 13 2.104 5.828 4.919 1.00 0.00 H new ATOM 0 HG22 THR W 13 2.327 7.187 3.793 1.00 0.00 H new ATOM 0 HG23 THR W 13 2.853 5.552 3.329 1.00 0.00 H new ATOM 196 N ALA W 14 6.088 8.597 5.341 1.00 0.00 N ATOM 197 CA ALA W 14 7.192 9.278 6.017 1.00 0.00 C ATOM 198 C ALA W 14 7.999 8.308 6.876 1.00 0.00 C ATOM 199 O ALA W 14 9.018 8.677 7.462 1.00 0.00 O ATOM 200 CB ALA W 14 6.667 10.423 6.869 1.00 0.00 C ATOM 0 H ALA W 14 5.162 8.846 5.690 1.00 0.00 H new ATOM 0 HA ALA W 14 7.854 9.681 5.251 1.00 0.00 H new ATOM 0 HB1 ALA W 14 7.501 10.919 7.365 1.00 0.00 H new ATOM 0 HB2 ALA W 14 6.144 11.139 6.234 1.00 0.00 H new ATOM 0 HB3 ALA W 14 5.979 10.033 7.619 1.00 0.00 H new ATOM 206 N ASP W 15 7.536 7.067 6.939 1.00 0.00 N ATOM 207 CA ASP W 15 8.207 6.025 7.704 1.00 0.00 C ATOM 208 C ASP W 15 9.394 5.467 6.929 1.00 0.00 C ATOM 209 O ASP W 15 10.220 4.737 7.480 1.00 0.00 O ATOM 210 CB ASP W 15 7.228 4.889 8.011 1.00 0.00 C ATOM 211 CG ASP W 15 5.954 5.375 8.665 1.00 0.00 C ATOM 212 OD1 ASP W 15 5.936 5.532 9.906 1.00 0.00 O ATOM 213 OD2 ASP W 15 4.965 5.611 7.938 1.00 0.00 O ATOM 0 H ASP W 15 6.689 6.755 6.464 1.00 0.00 H new ATOM 0 HA ASP W 15 8.566 6.464 8.635 1.00 0.00 H new ATOM 0 HB2 ASP W 15 6.981 4.369 7.086 1.00 0.00 H new ATOM 0 HB3 ASP W 15 7.713 4.164 8.665 1.00 0.00 H new ATOM 218 N GLY W 16 9.464 5.805 5.646 1.00 0.00 N ATOM 219 CA GLY W 16 10.536 5.317 4.804 1.00 0.00 C ATOM 220 C GLY W 16 10.369 3.851 4.471 1.00 0.00 C ATOM 221 O GLY W 16 11.328 3.081 4.512 1.00 0.00 O ATOM 0 H GLY W 16 8.793 6.411 5.174 1.00 0.00 H new ATOM 0 HA2 GLY W 16 10.566 5.898 3.882 1.00 0.00 H new ATOM 0 HA3 GLY W 16 11.491 5.468 5.308 1.00 0.00 H new ATOM 225 N LYS W 17 9.148 3.457 4.156 1.00 0.00 N ATOM 226 CA LYS W 17 8.855 2.070 3.860 1.00 0.00 C ATOM 227 C LYS W 17 7.922 1.968 2.661 1.00 0.00 C ATOM 228 O LYS W 17 7.120 2.879 2.413 1.00 0.00 O ATOM 229 CB LYS W 17 8.242 1.393 5.090 1.00 0.00 C ATOM 230 CG LYS W 17 8.050 -0.110 4.939 1.00 0.00 C ATOM 231 CD LYS W 17 7.609 -0.778 6.242 1.00 0.00 C ATOM 232 CE LYS W 17 8.727 -0.852 7.280 1.00 0.00 C ATOM 233 NZ LYS W 17 9.053 0.471 7.879 1.00 0.00 N ATOM 0 H LYS W 17 8.343 4.081 4.099 1.00 0.00 H new ATOM 0 HA LYS W 17 9.783 1.556 3.608 1.00 0.00 H new ATOM 0 HB2 LYS W 17 8.881 1.582 5.952 1.00 0.00 H new ATOM 0 HB3 LYS W 17 7.277 1.853 5.302 1.00 0.00 H new ATOM 0 HG2 LYS W 17 7.306 -0.302 4.166 1.00 0.00 H new ATOM 0 HG3 LYS W 17 8.984 -0.560 4.602 1.00 0.00 H new ATOM 0 HD2 LYS W 17 6.767 -0.226 6.661 1.00 0.00 H new ATOM 0 HD3 LYS W 17 7.254 -1.785 6.026 1.00 0.00 H new ATOM 0 HE2 LYS W 17 8.435 -1.541 8.072 1.00 0.00 H new ATOM 0 HE3 LYS W 17 9.622 -1.264 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS W 17 9.246 0.354 8.894 1.00 0.00 H new ATOM 0 HZ2 LYS W 17 9.893 0.867 7.410 1.00 0.00 H new ATOM 0 HZ3 LYS W 17 8.248 1.117 7.752 1.00 0.00 H new ATOM 247 N THR W 18 8.033 0.859 1.933 1.00 0.00 N ATOM 248 CA THR W 18 7.225 0.621 0.753 1.00 0.00 C ATOM 249 C THR W 18 5.879 0.037 1.154 1.00 0.00 C ATOM 250 O THR W 18 5.795 -1.111 1.575 1.00 0.00 O ATOM 251 CB THR W 18 7.923 -0.362 -0.208 1.00 0.00 C ATOM 252 OG1 THR W 18 9.295 0.015 -0.391 1.00 0.00 O ATOM 253 CG2 THR W 18 7.226 -0.380 -1.558 1.00 0.00 C ATOM 0 H THR W 18 8.686 0.106 2.149 1.00 0.00 H new ATOM 0 HA THR W 18 7.086 1.576 0.247 1.00 0.00 H new ATOM 0 HB THR W 18 7.873 -1.358 0.232 1.00 0.00 H new ATOM 0 HG1 THR W 18 9.729 -0.617 -1.002 1.00 0.00 H new ATOM 0 HG21 THR W 18 7.735 -1.080 -2.221 1.00 0.00 H new ATOM 0 HG22 THR W 18 6.189 -0.691 -1.428 1.00 0.00 H new ATOM 0 HG23 THR W 18 7.253 0.618 -1.995 1.00 0.00 H new ATOM 261 N TYR W 19 4.844 0.848 1.020 1.00 0.00 N ATOM 262 CA TYR W 19 3.503 0.496 1.455 1.00 0.00 C ATOM 263 C TYR W 19 2.548 0.469 0.260 1.00 0.00 C ATOM 264 O TYR W 19 2.608 1.331 -0.613 1.00 0.00 O ATOM 265 CB TYR W 19 3.086 1.498 2.564 1.00 0.00 C ATOM 266 CG TYR W 19 1.634 1.949 2.617 1.00 0.00 C ATOM 267 CD1 TYR W 19 0.565 1.055 2.536 1.00 0.00 C ATOM 268 CD2 TYR W 19 1.324 3.301 2.770 1.00 0.00 C ATOM 269 CE1 TYR W 19 -0.744 1.489 2.600 1.00 0.00 C ATOM 270 CE2 TYR W 19 0.041 3.715 2.829 1.00 0.00 C ATOM 271 CZ TYR W 19 -1.000 2.824 2.743 1.00 0.00 C ATOM 272 OH TYR W 19 -2.299 3.278 2.799 1.00 0.00 O ATOM 0 H TYR W 19 4.911 1.776 0.603 1.00 0.00 H new ATOM 0 HA TYR W 19 3.468 -0.508 1.877 1.00 0.00 H new ATOM 0 HB2 TYR W 19 3.331 1.050 3.527 1.00 0.00 H new ATOM 0 HB3 TYR W 19 3.707 2.388 2.460 1.00 0.00 H new ATOM 0 HD1 TYR W 19 0.766 0.000 2.421 1.00 0.00 H new ATOM 0 HD2 TYR W 19 2.122 4.026 2.842 1.00 0.00 H new ATOM 0 HE1 TYR W 19 -1.557 0.781 2.538 1.00 0.00 H new ATOM 0 HE2 TYR W 19 -0.171 4.767 2.946 1.00 0.00 H new ATOM 0 HH TYR W 19 -2.877 2.572 3.157 1.00 0.00 H new ATOM 282 N TYR W 20 1.682 -0.532 0.214 1.00 0.00 N ATOM 283 CA TYR W 20 0.731 -0.657 -0.882 1.00 0.00 C ATOM 284 C TYR W 20 -0.651 -0.269 -0.397 1.00 0.00 C ATOM 285 O TYR W 20 -1.039 -0.609 0.714 1.00 0.00 O ATOM 286 CB TYR W 20 0.675 -2.097 -1.438 1.00 0.00 C ATOM 287 CG TYR W 20 2.030 -2.714 -1.741 1.00 0.00 C ATOM 288 CD1 TYR W 20 2.800 -3.378 -0.771 1.00 0.00 C ATOM 289 CD2 TYR W 20 2.549 -2.624 -3.026 1.00 0.00 C ATOM 290 CE1 TYR W 20 4.027 -3.920 -1.096 1.00 0.00 C ATOM 291 CE2 TYR W 20 3.776 -3.166 -3.346 1.00 0.00 C ATOM 292 CZ TYR W 20 4.512 -3.809 -2.377 1.00 0.00 C ATOM 293 OH TYR W 20 5.741 -4.344 -2.694 1.00 0.00 O ATOM 0 H TYR W 20 1.617 -1.267 0.919 1.00 0.00 H new ATOM 0 HA TYR W 20 1.062 0.005 -1.682 1.00 0.00 H new ATOM 0 HB2 TYR W 20 0.156 -2.730 -0.718 1.00 0.00 H new ATOM 0 HB3 TYR W 20 0.079 -2.097 -2.351 1.00 0.00 H new ATOM 0 HD1 TYR W 20 2.428 -3.465 0.239 1.00 0.00 H new ATOM 0 HD2 TYR W 20 1.979 -2.118 -3.792 1.00 0.00 H new ATOM 0 HE1 TYR W 20 4.607 -4.432 -0.342 1.00 0.00 H new ATOM 0 HE2 TYR W 20 4.158 -3.086 -4.353 1.00 0.00 H new ATOM 0 HH TYR W 20 5.935 -4.180 -3.641 1.00 0.00 H new ATOM 303 N TYR W 21 -1.427 0.375 -1.233 1.00 0.00 N ATOM 304 CA TYR W 21 -2.768 0.730 -0.829 1.00 0.00 C ATOM 305 C TYR W 21 -3.730 -0.119 -1.618 1.00 0.00 C ATOM 306 O TYR W 21 -3.906 0.040 -2.826 1.00 0.00 O ATOM 307 CB TYR W 21 -3.070 2.230 -1.016 1.00 0.00 C ATOM 308 CG TYR W 21 -4.462 2.637 -0.536 1.00 0.00 C ATOM 309 CD1 TYR W 21 -5.565 2.540 -1.384 1.00 0.00 C ATOM 310 CD2 TYR W 21 -4.683 3.108 0.765 1.00 0.00 C ATOM 311 CE1 TYR W 21 -6.832 2.887 -0.955 1.00 0.00 C ATOM 312 CE2 TYR W 21 -5.951 3.458 1.189 1.00 0.00 C ATOM 313 CZ TYR W 21 -7.019 3.348 0.327 1.00 0.00 C ATOM 314 OH TYR W 21 -8.284 3.683 0.755 1.00 0.00 O ATOM 0 H TYR W 21 -1.164 0.660 -2.176 1.00 0.00 H new ATOM 0 HA TYR W 21 -2.876 0.541 0.239 1.00 0.00 H new ATOM 0 HB2 TYR W 21 -2.324 2.813 -0.476 1.00 0.00 H new ATOM 0 HB3 TYR W 21 -2.970 2.484 -2.071 1.00 0.00 H new ATOM 0 HD1 TYR W 21 -5.426 2.187 -2.395 1.00 0.00 H new ATOM 0 HD2 TYR W 21 -3.850 3.199 1.447 1.00 0.00 H new ATOM 0 HE1 TYR W 21 -7.674 2.796 -1.625 1.00 0.00 H new ATOM 0 HE2 TYR W 21 -6.104 3.818 2.196 1.00 0.00 H new ATOM 0 HH TYR W 21 -8.244 3.990 1.685 1.00 0.00 H new ATOM 324 N ASN W 22 -4.265 -1.083 -0.902 1.00 0.00 N ATOM 325 CA ASN W 22 -5.221 -2.035 -1.419 1.00 0.00 C ATOM 326 C ASN W 22 -6.432 -1.303 -1.986 1.00 0.00 C ATOM 327 O ASN W 22 -7.280 -0.806 -1.254 1.00 0.00 O ATOM 328 CB ASN W 22 -5.610 -2.973 -0.253 1.00 0.00 C ATOM 329 CG ASN W 22 -6.760 -3.938 -0.517 1.00 0.00 C ATOM 330 OD1 ASN W 22 -7.700 -3.648 -1.240 1.00 0.00 O ATOM 331 ND2 ASN W 22 -6.696 -5.099 0.114 1.00 0.00 N ATOM 0 H ASN W 22 -4.041 -1.230 0.082 1.00 0.00 H new ATOM 0 HA ASN W 22 -4.798 -2.622 -2.234 1.00 0.00 H new ATOM 0 HB2 ASN W 22 -4.732 -3.556 0.025 1.00 0.00 H new ATOM 0 HB3 ASN W 22 -5.870 -2.358 0.608 1.00 0.00 H new ATOM 0 HD21 ASN W 22 -7.446 -5.782 0.003 1.00 0.00 H new ATOM 0 HD22 ASN W 22 -5.897 -5.311 0.711 1.00 0.00 H new ATOM 338 N ASN W 23 -6.499 -1.219 -3.298 1.00 0.00 N ATOM 339 CA ASN W 23 -7.624 -0.575 -3.952 1.00 0.00 C ATOM 340 C ASN W 23 -8.685 -1.625 -4.268 1.00 0.00 C ATOM 341 O ASN W 23 -9.660 -1.360 -4.969 1.00 0.00 O ATOM 342 CB ASN W 23 -7.141 0.149 -5.219 1.00 0.00 C ATOM 343 CG ASN W 23 -8.128 1.183 -5.735 1.00 0.00 C ATOM 344 OD1 ASN W 23 -8.150 2.321 -5.267 1.00 0.00 O ATOM 345 ND2 ASN W 23 -8.917 0.815 -6.733 1.00 0.00 N ATOM 0 H ASN W 23 -5.791 -1.587 -3.933 1.00 0.00 H new ATOM 0 HA ASN W 23 -8.069 0.172 -3.295 1.00 0.00 H new ATOM 0 HB2 ASN W 23 -6.190 0.638 -5.009 1.00 0.00 H new ATOM 0 HB3 ASN W 23 -6.955 -0.587 -6.001 1.00 0.00 H new ATOM 0 HD21 ASN W 23 -9.571 1.484 -7.140 1.00 0.00 H new ATOM 0 HD22 ASN W 23 -8.871 -0.137 -7.095 1.00 0.00 H new ATOM 352 N ARG W 24 -8.480 -2.827 -3.722 1.00 0.00 N ATOM 353 CA ARG W 24 -9.413 -3.930 -3.898 1.00 0.00 C ATOM 354 C ARG W 24 -10.728 -3.624 -3.188 1.00 0.00 C ATOM 355 O ARG W 24 -11.738 -3.328 -3.817 1.00 0.00 O ATOM 356 CB ARG W 24 -8.842 -5.234 -3.356 1.00 0.00 C ATOM 357 CG ARG W 24 -9.712 -6.441 -3.661 1.00 0.00 C ATOM 358 CD ARG W 24 -9.885 -6.635 -5.162 1.00 0.00 C ATOM 359 NE ARG W 24 -10.679 -7.819 -5.479 1.00 0.00 N ATOM 360 CZ ARG W 24 -11.070 -8.145 -6.716 1.00 0.00 C ATOM 361 NH1 ARG W 24 -10.709 -7.398 -7.757 1.00 0.00 N ATOM 362 NH2 ARG W 24 -11.807 -9.233 -6.916 1.00 0.00 N ATOM 0 H ARG W 24 -7.667 -3.056 -3.150 1.00 0.00 H new ATOM 0 HA ARG W 24 -9.588 -4.046 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG W 24 -7.850 -5.393 -3.780 1.00 0.00 H new ATOM 0 HB3 ARG W 24 -8.717 -5.148 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG W 24 -9.263 -7.334 -3.226 1.00 0.00 H new ATOM 0 HG3 ARG W 24 -10.689 -6.315 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG W 24 -10.365 -5.754 -5.587 1.00 0.00 H new ATOM 0 HD3 ARG W 24 -8.905 -6.721 -5.631 1.00 0.00 H new ATOM 0 HE ARG W 24 -10.951 -8.434 -4.712 1.00 0.00 H new ATOM 0 HH11 ARG W 24 -10.130 -6.570 -7.615 1.00 0.00 H new ATOM 0 HH12 ARG W 24 -11.011 -7.653 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG W 24 -12.075 -9.820 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG W 24 -12.105 -9.481 -7.860 1.00 0.00 H new ATOM 376 N THR W 25 -10.690 -3.702 -1.866 1.00 0.00 N ATOM 377 CA THR W 25 -11.839 -3.377 -1.036 1.00 0.00 C ATOM 378 C THR W 25 -11.662 -1.993 -0.422 1.00 0.00 C ATOM 379 O THR W 25 -12.441 -1.572 0.434 1.00 0.00 O ATOM 380 CB THR W 25 -12.025 -4.423 0.076 1.00 0.00 C ATOM 381 OG1 THR W 25 -13.189 -4.137 0.861 1.00 0.00 O ATOM 382 CG2 THR W 25 -10.801 -4.444 0.951 1.00 0.00 C ATOM 0 H THR W 25 -9.865 -3.991 -1.341 1.00 0.00 H new ATOM 0 HA THR W 25 -12.729 -3.382 -1.665 1.00 0.00 H new ATOM 0 HB THR W 25 -12.163 -5.402 -0.383 1.00 0.00 H new ATOM 0 HG1 THR W 25 -13.280 -3.167 0.970 1.00 0.00 H new ATOM 0 HG21 THR W 25 -10.930 -5.185 1.740 1.00 0.00 H new ATOM 0 HG22 THR W 25 -9.929 -4.702 0.350 1.00 0.00 H new ATOM 0 HG23 THR W 25 -10.656 -3.460 1.397 1.00 0.00 H new ATOM 390 N LEU W 26 -10.644 -1.286 -0.909 1.00 0.00 N ATOM 391 CA LEU W 26 -10.162 -0.058 -0.291 1.00 0.00 C ATOM 392 C LEU W 26 -9.630 -0.357 1.106 1.00 0.00 C ATOM 393 O LEU W 26 -10.332 -0.242 2.112 1.00 0.00 O ATOM 394 CB LEU W 26 -11.226 1.048 -0.267 1.00 0.00 C ATOM 395 CG LEU W 26 -11.645 1.563 -1.647 1.00 0.00 C ATOM 396 CD1 LEU W 26 -12.637 2.703 -1.505 1.00 0.00 C ATOM 397 CD2 LEU W 26 -10.429 2.014 -2.444 1.00 0.00 C ATOM 0 H LEU W 26 -10.129 -1.553 -1.748 1.00 0.00 H new ATOM 0 HA LEU W 26 -9.347 0.327 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU W 26 -12.109 0.672 0.249 1.00 0.00 H new ATOM 0 HB3 LEU W 26 -10.847 1.886 0.319 1.00 0.00 H new ATOM 0 HG LEU W 26 -12.125 0.747 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU W 26 -12.926 3.059 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU W 26 -13.521 2.352 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU W 26 -12.177 3.518 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU W 26 -10.748 2.376 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU W 26 -9.920 2.815 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU W 26 -9.747 1.174 -2.574 1.00 0.00 H new ATOM 409 N GLU W 27 -8.376 -0.772 1.121 1.00 0.00 N ATOM 410 CA GLU W 27 -7.682 -1.224 2.310 1.00 0.00 C ATOM 411 C GLU W 27 -6.239 -0.731 2.237 1.00 0.00 C ATOM 412 O GLU W 27 -5.835 -0.133 1.242 1.00 0.00 O ATOM 413 CB GLU W 27 -7.710 -2.768 2.361 1.00 0.00 C ATOM 414 CG GLU W 27 -7.085 -3.376 3.604 1.00 0.00 C ATOM 415 CD GLU W 27 -7.635 -2.768 4.879 1.00 0.00 C ATOM 416 OE1 GLU W 27 -8.703 -3.215 5.346 1.00 0.00 O ATOM 417 OE2 GLU W 27 -7.008 -1.822 5.399 1.00 0.00 O ATOM 0 H GLU W 27 -7.797 -0.804 0.282 1.00 0.00 H new ATOM 0 HA GLU W 27 -8.163 -0.833 3.207 1.00 0.00 H new ATOM 0 HB2 GLU W 27 -8.746 -3.101 2.292 1.00 0.00 H new ATOM 0 HB3 GLU W 27 -7.192 -3.156 1.484 1.00 0.00 H new ATOM 0 HG2 GLU W 27 -7.264 -4.451 3.610 1.00 0.00 H new ATOM 0 HG3 GLU W 27 -6.005 -3.233 3.572 1.00 0.00 H new ATOM 424 N SER W 28 -5.477 -0.954 3.279 1.00 0.00 N ATOM 425 CA SER W 28 -4.057 -0.695 3.245 1.00 0.00 C ATOM 426 C SER W 28 -3.267 -1.995 3.388 1.00 0.00 C ATOM 427 O SER W 28 -3.750 -2.965 3.967 1.00 0.00 O ATOM 428 CB SER W 28 -3.699 0.290 4.350 1.00 0.00 C ATOM 429 OG SER W 28 -4.054 1.612 3.989 1.00 0.00 O ATOM 0 H SER W 28 -5.819 -1.317 4.169 1.00 0.00 H new ATOM 0 HA SER W 28 -3.793 -0.257 2.282 1.00 0.00 H new ATOM 0 HB2 SER W 28 -4.212 0.011 5.270 1.00 0.00 H new ATOM 0 HB3 SER W 28 -2.629 0.240 4.553 1.00 0.00 H new ATOM 0 HG SER W 28 -3.815 2.225 4.715 1.00 0.00 H new ATOM 435 N THR W 29 -2.065 -2.005 2.842 1.00 0.00 N ATOM 436 CA THR W 29 -1.157 -3.130 2.962 1.00 0.00 C ATOM 437 C THR W 29 0.247 -2.625 3.172 1.00 0.00 C ATOM 438 O THR W 29 0.768 -1.871 2.361 1.00 0.00 O ATOM 439 CB THR W 29 -1.184 -4.016 1.705 1.00 0.00 C ATOM 440 OG1 THR W 29 -1.339 -3.217 0.534 1.00 0.00 O ATOM 441 CG2 THR W 29 -2.312 -4.998 1.785 1.00 0.00 C ATOM 0 H THR W 29 -1.689 -1.227 2.299 1.00 0.00 H new ATOM 0 HA THR W 29 -1.480 -3.729 3.814 1.00 0.00 H new ATOM 0 HB THR W 29 -0.238 -4.555 1.650 1.00 0.00 H new ATOM 0 HG1 THR W 29 -1.168 -2.277 0.754 1.00 0.00 H new ATOM 0 HG21 THR W 29 -2.319 -5.618 0.889 1.00 0.00 H new ATOM 0 HG22 THR W 29 -2.182 -5.631 2.663 1.00 0.00 H new ATOM 0 HG23 THR W 29 -3.257 -4.461 1.862 1.00 0.00 H new ATOM 449 N TRP W 30 0.852 -3.037 4.262 1.00 0.00 N ATOM 450 CA TRP W 30 2.153 -2.501 4.632 1.00 0.00 C ATOM 451 C TRP W 30 3.218 -2.961 3.661 1.00 0.00 C ATOM 452 O TRP W 30 3.760 -2.155 2.920 1.00 0.00 O ATOM 453 CB TRP W 30 2.523 -2.843 6.081 1.00 0.00 C ATOM 454 CG TRP W 30 2.379 -1.650 6.974 1.00 0.00 C ATOM 455 CD1 TRP W 30 1.480 -1.467 7.984 1.00 0.00 C ATOM 456 CD2 TRP W 30 3.146 -0.444 6.889 1.00 0.00 C ATOM 457 NE1 TRP W 30 1.636 -0.211 8.528 1.00 0.00 N ATOM 458 CE2 TRP W 30 2.658 0.437 7.871 1.00 0.00 C ATOM 459 CE3 TRP W 30 4.200 -0.027 6.074 1.00 0.00 C ATOM 460 CZ2 TRP W 30 3.183 1.721 8.043 1.00 0.00 C ATOM 461 CZ3 TRP W 30 4.724 1.239 6.252 1.00 0.00 C ATOM 462 CH2 TRP W 30 4.214 2.099 7.228 1.00 0.00 C ATOM 0 H TRP W 30 0.475 -3.733 4.905 1.00 0.00 H new ATOM 0 HA TRP W 30 2.091 -1.414 4.573 1.00 0.00 H new ATOM 0 HB2 TRP W 30 1.884 -3.649 6.441 1.00 0.00 H new ATOM 0 HB3 TRP W 30 3.549 -3.208 6.120 1.00 0.00 H new ATOM 0 HD1 TRP W 30 0.754 -2.198 8.309 1.00 0.00 H new ATOM 0 HE1 TRP W 30 1.084 0.176 9.293 1.00 0.00 H new ATOM 0 HE3 TRP W 30 4.600 -0.684 5.316 1.00 0.00 H new ATOM 0 HZ2 TRP W 30 2.788 2.391 8.793 1.00 0.00 H new ATOM 0 HZ3 TRP W 30 5.541 1.569 5.627 1.00 0.00 H new ATOM 0 HH2 TRP W 30 4.643 3.084 7.341 1.00 0.00 H new ATOM 473 N GLU W 31 3.508 -4.241 3.653 1.00 0.00 N ATOM 474 CA GLU W 31 4.426 -4.781 2.673 1.00 0.00 C ATOM 475 C GLU W 31 3.667 -5.585 1.634 1.00 0.00 C ATOM 476 O GLU W 31 2.439 -5.515 1.553 1.00 0.00 O ATOM 477 CB GLU W 31 5.456 -5.675 3.339 1.00 0.00 C ATOM 478 CG GLU W 31 6.903 -5.328 3.005 1.00 0.00 C ATOM 479 CD GLU W 31 7.328 -5.820 1.632 1.00 0.00 C ATOM 480 OE1 GLU W 31 7.065 -5.124 0.633 1.00 0.00 O ATOM 481 OE2 GLU W 31 7.910 -6.921 1.550 1.00 0.00 O ATOM 0 H GLU W 31 3.126 -4.924 4.307 1.00 0.00 H new ATOM 0 HA GLU W 31 4.936 -3.947 2.191 1.00 0.00 H new ATOM 0 HB2 GLU W 31 5.322 -5.620 4.419 1.00 0.00 H new ATOM 0 HB3 GLU W 31 5.266 -6.708 3.046 1.00 0.00 H new ATOM 0 HG2 GLU W 31 7.032 -4.247 3.054 1.00 0.00 H new ATOM 0 HG3 GLU W 31 7.559 -5.762 3.760 1.00 0.00 H new ATOM 488 N LYS W 32 4.425 -6.334 0.838 1.00 0.00 N ATOM 489 CA LYS W 32 3.882 -7.252 -0.155 1.00 0.00 C ATOM 490 C LYS W 32 2.695 -8.039 0.396 1.00 0.00 C ATOM 491 O LYS W 32 2.848 -8.848 1.321 1.00 0.00 O ATOM 492 CB LYS W 32 4.974 -8.226 -0.608 1.00 0.00 C ATOM 493 CG LYS W 32 6.097 -7.586 -1.411 1.00 0.00 C ATOM 494 CD LYS W 32 7.203 -8.594 -1.681 1.00 0.00 C ATOM 495 CE LYS W 32 8.325 -8.004 -2.520 1.00 0.00 C ATOM 496 NZ LYS W 32 7.905 -7.748 -3.924 1.00 0.00 N ATOM 0 H LYS W 32 5.445 -6.319 0.866 1.00 0.00 H new ATOM 0 HA LYS W 32 3.533 -6.661 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS W 32 5.402 -8.707 0.272 1.00 0.00 H new ATOM 0 HB3 LYS W 32 4.516 -9.011 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS W 32 5.706 -7.206 -2.355 1.00 0.00 H new ATOM 0 HG3 LYS W 32 6.500 -6.732 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS W 32 7.608 -8.949 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS W 32 6.785 -9.461 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS W 32 8.662 -7.071 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS W 32 9.176 -8.685 -2.516 1.00 0.00 H new ATOM 0 HZ1 LYS W 32 8.728 -7.443 -4.482 1.00 0.00 H new ATOM 0 HZ2 LYS W 32 7.513 -8.620 -4.334 1.00 0.00 H new ATOM 0 HZ3 LYS W 32 7.180 -7.002 -3.939 1.00 0.00 H new ATOM 510 N PRO W 33 1.496 -7.780 -0.151 1.00 0.00 N ATOM 511 CA PRO W 33 0.284 -8.521 0.197 1.00 0.00 C ATOM 512 C PRO W 33 0.447 -10.025 -0.016 1.00 0.00 C ATOM 513 O PRO W 33 1.371 -10.469 -0.694 1.00 0.00 O ATOM 514 CB PRO W 33 -0.764 -7.966 -0.772 1.00 0.00 C ATOM 515 CG PRO W 33 -0.269 -6.613 -1.134 1.00 0.00 C ATOM 516 CD PRO W 33 1.227 -6.716 -1.134 1.00 0.00 C ATOM 0 HA PRO W 33 0.023 -8.401 1.248 1.00 0.00 H new ATOM 0 HB2 PRO W 33 -0.863 -8.600 -1.653 1.00 0.00 H new ATOM 0 HB3 PRO W 33 -1.747 -7.915 -0.304 1.00 0.00 H new ATOM 0 HG2 PRO W 33 -0.641 -6.309 -2.112 1.00 0.00 H new ATOM 0 HG3 PRO W 33 -0.610 -5.866 -0.417 1.00 0.00 H new ATOM 0 HD2 PRO W 33 1.612 -6.974 -2.121 1.00 0.00 H new ATOM 0 HD3 PRO W 33 1.695 -5.775 -0.845 1.00 0.00 H new ATOM 524 N GLN W 34 -0.484 -10.794 0.546 1.00 0.00 N ATOM 525 CA GLN W 34 -0.444 -12.258 0.483 1.00 0.00 C ATOM 526 C GLN W 34 -0.263 -12.754 -0.950 1.00 0.00 C ATOM 527 O GLN W 34 0.482 -13.699 -1.203 1.00 0.00 O ATOM 528 CB GLN W 34 -1.738 -12.837 1.062 1.00 0.00 C ATOM 529 CG GLN W 34 -2.061 -12.310 2.446 1.00 0.00 C ATOM 530 CD GLN W 34 -3.478 -12.627 2.874 1.00 0.00 C ATOM 531 OE1 GLN W 34 -4.401 -11.852 2.622 1.00 0.00 O ATOM 532 NE2 GLN W 34 -3.661 -13.757 3.531 1.00 0.00 N ATOM 0 H GLN W 34 -1.286 -10.424 1.057 1.00 0.00 H new ATOM 0 HA GLN W 34 0.411 -12.594 1.070 1.00 0.00 H new ATOM 0 HB2 GLN W 34 -2.565 -12.606 0.390 1.00 0.00 H new ATOM 0 HB3 GLN W 34 -1.656 -13.923 1.104 1.00 0.00 H new ATOM 0 HG2 GLN W 34 -1.364 -12.739 3.166 1.00 0.00 H new ATOM 0 HG3 GLN W 34 -1.913 -11.230 2.463 1.00 0.00 H new ATOM 0 HE21 GLN W 34 -2.869 -14.371 3.719 1.00 0.00 H new ATOM 0 HE22 GLN W 34 -4.595 -14.016 3.850 1.00 0.00 H new ATOM 541 N GLU W 35 -0.940 -12.094 -1.880 1.00 0.00 N ATOM 542 CA GLU W 35 -0.918 -12.505 -3.277 1.00 0.00 C ATOM 543 C GLU W 35 0.253 -11.889 -4.027 1.00 0.00 C ATOM 544 O GLU W 35 0.740 -12.456 -5.007 1.00 0.00 O ATOM 545 CB GLU W 35 -2.245 -12.159 -3.942 1.00 0.00 C ATOM 546 CG GLU W 35 -3.404 -12.923 -3.322 1.00 0.00 C ATOM 547 CD GLU W 35 -3.215 -14.424 -3.424 1.00 0.00 C ATOM 548 OE1 GLU W 35 -2.359 -14.974 -2.695 1.00 0.00 O ATOM 549 OE2 GLU W 35 -3.892 -15.050 -4.255 1.00 0.00 O ATOM 0 H GLU W 35 -1.512 -11.271 -1.692 1.00 0.00 H new ATOM 0 HA GLU W 35 -0.781 -13.586 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU W 35 -2.427 -11.088 -3.854 1.00 0.00 H new ATOM 0 HB3 GLU W 35 -2.188 -12.386 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU W 35 -3.505 -12.641 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU W 35 -4.332 -12.640 -3.819 1.00 0.00 H new ATOM 556 N LEU W 36 0.717 -10.745 -3.551 1.00 0.00 N ATOM 557 CA LEU W 36 1.900 -10.108 -4.111 1.00 0.00 C ATOM 558 C LEU W 36 3.152 -10.690 -3.474 1.00 0.00 C ATOM 559 O LEU W 36 3.862 -10.024 -2.728 1.00 0.00 O ATOM 560 CB LEU W 36 1.845 -8.591 -3.914 1.00 0.00 C ATOM 561 CG LEU W 36 1.422 -7.794 -5.134 1.00 0.00 C ATOM 562 CD1 LEU W 36 1.327 -6.310 -4.810 1.00 0.00 C ATOM 563 CD2 LEU W 36 2.405 -8.034 -6.247 1.00 0.00 C ATOM 0 H LEU W 36 0.292 -10.236 -2.776 1.00 0.00 H new ATOM 0 HA LEU W 36 1.929 -10.304 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU W 36 1.154 -8.372 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU W 36 2.830 -8.246 -3.599 1.00 0.00 H new ATOM 0 HG LEU W 36 0.432 -8.124 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU W 36 1.022 -5.762 -5.701 1.00 0.00 H new ATOM 0 HD12 LEU W 36 0.592 -6.156 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU W 36 2.299 -5.948 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU W 36 2.106 -7.464 -7.126 1.00 0.00 H new ATOM 0 HD22 LEU W 36 3.398 -7.717 -5.930 1.00 0.00 H new ATOM 0 HD23 LEU W 36 2.424 -9.096 -6.493 1.00 0.00 H new ATOM 622 N PRO P 103 0.095 13.023 -5.015 1.00 0.00 N ATOM 623 CA PRO P 103 -0.912 12.730 -3.994 1.00 0.00 C ATOM 624 C PRO P 103 -0.290 12.393 -2.644 1.00 0.00 C ATOM 625 O PRO P 103 0.812 11.844 -2.579 1.00 0.00 O ATOM 626 CB PRO P 103 -1.625 11.500 -4.555 1.00 0.00 C ATOM 627 CG PRO P 103 -0.598 10.814 -5.388 1.00 0.00 C ATOM 628 CD PRO P 103 0.294 11.892 -5.937 1.00 0.00 C ATOM 0 HA PRO P 103 -1.563 13.584 -3.809 1.00 0.00 H new ATOM 0 HB2 PRO P 103 -1.984 10.852 -3.756 1.00 0.00 H new ATOM 0 HB3 PRO P 103 -2.493 11.783 -5.150 1.00 0.00 H new ATOM 0 HG2 PRO P 103 -0.026 10.103 -4.792 1.00 0.00 H new ATOM 0 HG3 PRO P 103 -1.066 10.249 -6.194 1.00 0.00 H new ATOM 0 HD2 PRO P 103 1.336 11.574 -5.960 1.00 0.00 H new ATOM 0 HD3 PRO P 103 0.019 12.156 -6.958 1.00 0.00 H new ATOM 636 N LEU P 104 -0.981 12.733 -1.565 1.00 0.00 N ATOM 637 CA LEU P 104 -0.540 12.316 -0.247 1.00 0.00 C ATOM 638 C LEU P 104 -0.940 10.862 -0.020 1.00 0.00 C ATOM 639 O LEU P 104 -1.988 10.421 -0.496 1.00 0.00 O ATOM 640 CB LEU P 104 -1.157 13.216 0.828 1.00 0.00 C ATOM 641 CG LEU P 104 -0.717 12.931 2.267 1.00 0.00 C ATOM 642 CD1 LEU P 104 0.772 13.192 2.435 1.00 0.00 C ATOM 643 CD2 LEU P 104 -1.527 13.772 3.246 1.00 0.00 C ATOM 0 H LEU P 104 -1.837 13.288 -1.577 1.00 0.00 H new ATOM 0 HA LEU P 104 0.545 12.404 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU P 104 -0.914 14.252 0.592 1.00 0.00 H new ATOM 0 HB3 LEU P 104 -2.242 13.123 0.774 1.00 0.00 H new ATOM 0 HG LEU P 104 -0.902 11.879 2.483 1.00 0.00 H new ATOM 0 HD11 LEU P 104 1.064 12.984 3.464 1.00 0.00 H new ATOM 0 HD12 LEU P 104 1.333 12.545 1.760 1.00 0.00 H new ATOM 0 HD13 LEU P 104 0.987 14.235 2.201 1.00 0.00 H new ATOM 0 HD21 LEU P 104 -1.203 13.558 4.264 1.00 0.00 H new ATOM 0 HD22 LEU P 104 -1.374 14.829 3.031 1.00 0.00 H new ATOM 0 HD23 LEU P 104 -2.585 13.531 3.144 1.00 0.00 H new ATOM 655 N ILE P 105 -0.109 10.121 0.693 1.00 0.00 N ATOM 656 CA ILE P 105 -0.412 8.737 1.017 1.00 0.00 C ATOM 657 C ILE P 105 -1.345 8.668 2.221 1.00 0.00 C ATOM 658 O ILE P 105 -1.289 9.522 3.109 1.00 0.00 O ATOM 659 CB ILE P 105 0.873 7.870 1.269 1.00 0.00 C ATOM 660 CG1 ILE P 105 2.009 8.311 0.337 1.00 0.00 C ATOM 661 CG2 ILE P 105 0.573 6.407 1.014 1.00 0.00 C ATOM 662 CD1 ILE P 105 2.744 9.564 0.754 1.00 0.00 C ATOM 0 H ILE P 105 0.782 10.455 1.059 1.00 0.00 H new ATOM 0 HA ILE P 105 -0.909 8.311 0.145 1.00 0.00 H new ATOM 0 HB ILE P 105 1.178 8.010 2.306 1.00 0.00 H new ATOM 0 HG12 ILE P 105 2.729 7.497 0.261 1.00 0.00 H new ATOM 0 HG13 ILE P 105 1.597 8.467 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE P 105 1.471 5.815 1.192 1.00 0.00 H new ATOM 0 HG22 ILE P 105 -0.219 6.076 1.686 1.00 0.00 H new ATOM 0 HG23 ILE P 105 0.251 6.276 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE P 105 3.525 9.786 0.027 1.00 0.00 H new ATOM 0 HD12 ILE P 105 2.044 10.398 0.800 1.00 0.00 H new ATOM 0 HD13 ILE P 105 3.194 9.413 1.735 1.00 0.00 H new ATOM 674 N PRO P 106 -2.210 7.655 2.269 1.00 0.00 N ATOM 675 CA PRO P 106 -2.897 7.281 3.500 1.00 0.00 C ATOM 676 C PRO P 106 -1.895 6.571 4.381 1.00 0.00 C ATOM 677 O PRO P 106 -0.970 5.978 3.859 1.00 0.00 O ATOM 678 CB PRO P 106 -3.967 6.272 3.033 1.00 0.00 C ATOM 679 CG PRO P 106 -3.999 6.381 1.546 1.00 0.00 C ATOM 680 CD PRO P 106 -2.633 6.832 1.134 1.00 0.00 C ATOM 0 HA PRO P 106 -3.324 8.122 4.047 1.00 0.00 H new ATOM 0 HB2 PRO P 106 -3.714 5.259 3.346 1.00 0.00 H new ATOM 0 HB3 PRO P 106 -4.941 6.505 3.464 1.00 0.00 H new ATOM 0 HG2 PRO P 106 -4.247 5.422 1.090 1.00 0.00 H new ATOM 0 HG3 PRO P 106 -4.758 7.093 1.224 1.00 0.00 H new ATOM 0 HD2 PRO P 106 -1.960 5.990 0.972 1.00 0.00 H new ATOM 0 HD3 PRO P 106 -2.658 7.404 0.206 1.00 0.00 H new ATOM 688 N PRO P 107 -1.974 6.644 5.705 1.00 0.00 N ATOM 689 CA PRO P 107 -1.080 5.841 6.513 1.00 0.00 C ATOM 690 C PRO P 107 -1.576 4.405 6.552 1.00 0.00 C ATOM 691 O PRO P 107 -2.784 4.165 6.611 1.00 0.00 O ATOM 692 CB PRO P 107 -1.177 6.483 7.908 1.00 0.00 C ATOM 693 CG PRO P 107 -2.032 7.703 7.742 1.00 0.00 C ATOM 694 CD PRO P 107 -2.856 7.485 6.505 1.00 0.00 C ATOM 0 HA PRO P 107 -0.059 5.814 6.133 1.00 0.00 H new ATOM 0 HB2 PRO P 107 -1.618 5.792 8.626 1.00 0.00 H new ATOM 0 HB3 PRO P 107 -0.189 6.747 8.286 1.00 0.00 H new ATOM 0 HG2 PRO P 107 -2.671 7.849 8.613 1.00 0.00 H new ATOM 0 HG3 PRO P 107 -1.416 8.597 7.645 1.00 0.00 H new ATOM 0 HD2 PRO P 107 -3.802 6.992 6.726 1.00 0.00 H new ATOM 0 HD3 PRO P 107 -3.095 8.422 6.002 1.00 0.00 H new ATOM 702 N PRO P 108 -0.673 3.426 6.537 1.00 0.00 N ATOM 703 CA PRO P 108 -1.044 2.029 6.681 1.00 0.00 C ATOM 704 C PRO P 108 -1.263 1.625 8.141 1.00 0.00 C ATOM 705 O PRO P 108 -0.641 2.178 9.050 1.00 0.00 O ATOM 706 CB PRO P 108 0.125 1.266 6.053 1.00 0.00 C ATOM 707 CG PRO P 108 1.119 2.300 5.642 1.00 0.00 C ATOM 708 CD PRO P 108 0.778 3.562 6.350 1.00 0.00 C ATOM 0 HA PRO P 108 -1.997 1.812 6.198 1.00 0.00 H new ATOM 0 HB2 PRO P 108 0.562 0.567 6.766 1.00 0.00 H new ATOM 0 HB3 PRO P 108 -0.207 0.681 5.195 1.00 0.00 H new ATOM 0 HG2 PRO P 108 2.130 1.981 5.895 1.00 0.00 H new ATOM 0 HG3 PRO P 108 1.093 2.448 4.562 1.00 0.00 H new ATOM 0 HD2 PRO P 108 1.305 3.652 7.300 1.00 0.00 H new ATOM 0 HD3 PRO P 108 1.032 4.442 5.760 1.00 0.00 H new ATOM 716 N PRO P 109 -2.153 0.661 8.371 1.00 0.00 N ATOM 717 CA PRO P 109 -2.416 0.106 9.705 1.00 0.00 C ATOM 718 C PRO P 109 -1.310 -0.839 10.170 1.00 0.00 C ATOM 719 O PRO P 109 -1.402 -2.058 9.904 1.00 0.00 O ATOM 720 CB PRO P 109 -3.728 -0.661 9.504 1.00 0.00 C ATOM 721 CG PRO P 109 -3.743 -1.014 8.050 1.00 0.00 C ATOM 722 CD PRO P 109 -3.032 0.092 7.349 1.00 0.00 C ATOM 723 OXT PRO P 109 -0.339 -0.345 10.788 1.00 0.00 O ATOM 0 HA PRO P 109 -2.465 0.879 10.472 1.00 0.00 H new ATOM 0 HB2 PRO P 109 -3.764 -1.554 10.129 1.00 0.00 H new ATOM 0 HB3 PRO P 109 -4.589 -0.049 9.772 1.00 0.00 H new ATOM 0 HG2 PRO P 109 -3.247 -1.969 7.876 1.00 0.00 H new ATOM 0 HG3 PRO P 109 -4.765 -1.114 7.684 1.00 0.00 H new ATOM 0 HD2 PRO P 109 -2.463 -0.278 6.496 1.00 0.00 H new ATOM 0 HD3 PRO P 109 -3.731 0.836 6.967 1.00 0.00 H new