USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 HIS : no HE2:sc= 0.0193 K(o=0.86,f=-1.4) USER MOD Set 1.2: A 18 THR OG1 : rot -47:sc= 0.789 USER MOD Set 1.3: A 19 SER OG : rot 180:sc= 0.0552 USER MOD Single : A 1 GLY N :NH3+ 155:sc= 0.788 (180deg=-2.7!) USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= -1.15 (180deg=-1.83!) USER MOD Single : A 7 MET CE :methyl -174:sc= -1.04 (180deg=-1.12) USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= 1.19 (180deg=1.07) USER MOD Single : A 12 MET CE :methyl 164:sc= 0 (180deg=-0.351) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0055 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0101) USER MOD Single : A 37 SER OG : rot 170:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00753 X(o=-0.0075,f=-0.057) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 74:sc= 1.09 USER MOD Single : A 48 GLN : amide:sc= -0.0323 K(o=-0.032,f=-1.2) USER MOD Single : A 50 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 53 SER OG : rot 121:sc= 1.19 USER MOD Single : A 57 MET CE :methyl 140:sc= -1.06 (180deg=-1.74) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 1.13 (180deg=0.666) USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 0.847 (180deg=0.0028) USER MOD Single : A 60 GLN : amide:sc= 0.64 K(o=0.64,f=-2.1!) USER MOD Single : A 64 MET CE :methyl -133:sc= -0.0256 (180deg=-0.225) USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= -0.242 (180deg=-0.248) USER MOD Single : A 72 LYS NZ :NH3+ 145:sc= 0.945 (180deg=-0.813!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.289 8.967 10.254 1.00 0.00 N ATOM 2 CA GLY A 1 -9.321 7.930 10.645 1.00 0.00 C ATOM 3 C GLY A 1 -8.442 7.539 9.458 1.00 0.00 C ATOM 4 O GLY A 1 -8.642 6.473 8.885 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.116 8.925 10.883 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.844 9.904 10.330 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.592 8.806 9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.698 8.296 11.461 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.850 7.053 11.017 1.00 0.00 H new ATOM 10 N GLU A 2 -7.508 8.410 9.061 1.00 0.00 N ATOM 11 CA GLU A 2 -6.764 8.284 7.816 1.00 0.00 C ATOM 12 C GLU A 2 -5.268 8.459 8.096 1.00 0.00 C ATOM 13 O GLU A 2 -4.729 9.561 8.048 1.00 0.00 O ATOM 14 CB GLU A 2 -7.340 9.221 6.729 1.00 0.00 C ATOM 15 CG GLU A 2 -7.909 10.579 7.182 1.00 0.00 C ATOM 16 CD GLU A 2 -9.130 10.446 8.075 1.00 0.00 C ATOM 17 OE1 GLU A 2 -10.053 9.659 7.754 1.00 0.00 O ATOM 18 OE2 GLU A 2 -9.050 10.947 9.218 1.00 0.00 O ATOM 0 H GLU A 2 -7.249 9.231 9.607 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.879 7.283 7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.552 9.414 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.132 8.683 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.135 11.131 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.172 11.167 6.303 1.00 0.00 H new ATOM 25 N VAL A 3 -4.611 7.339 8.401 1.00 0.00 N ATOM 26 CA VAL A 3 -3.188 7.190 8.602 1.00 0.00 C ATOM 27 C VAL A 3 -2.572 6.868 7.238 1.00 0.00 C ATOM 28 O VAL A 3 -3.125 6.110 6.443 1.00 0.00 O ATOM 29 CB VAL A 3 -2.957 6.090 9.663 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.709 5.236 9.411 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.961 6.693 11.072 1.00 0.00 C ATOM 0 H VAL A 3 -5.105 6.454 8.520 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.710 8.093 8.981 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.794 5.397 9.576 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.616 4.487 10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.797 4.739 8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.825 5.874 9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.797 5.904 11.806 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.166 7.435 11.153 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.923 7.170 11.261 1.00 0.00 H new ATOM 41 N VAL A 4 -1.430 7.478 6.951 1.00 0.00 N ATOM 42 CA VAL A 4 -0.681 7.319 5.733 1.00 0.00 C ATOM 43 C VAL A 4 0.346 6.199 5.937 1.00 0.00 C ATOM 44 O VAL A 4 1.068 6.165 6.935 1.00 0.00 O ATOM 45 CB VAL A 4 -0.048 8.679 5.406 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.884 8.553 4.210 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.135 9.717 5.090 1.00 0.00 C ATOM 0 H VAL A 4 -0.987 8.128 7.601 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.301 7.025 4.886 1.00 0.00 H new ATOM 0 HB VAL A 4 0.520 9.006 6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.326 9.525 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.675 7.838 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.320 8.206 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.668 10.675 4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.718 9.383 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.791 9.831 5.953 1.00 0.00 H new ATOM 57 N LEU A 5 0.407 5.283 4.969 1.00 0.00 N ATOM 58 CA LEU A 5 1.427 4.256 4.840 1.00 0.00 C ATOM 59 C LEU A 5 2.264 4.624 3.630 1.00 0.00 C ATOM 60 O LEU A 5 1.705 4.873 2.563 1.00 0.00 O ATOM 61 CB LEU A 5 0.740 2.895 4.675 1.00 0.00 C ATOM 62 CG LEU A 5 1.522 1.722 4.042 1.00 0.00 C ATOM 63 CD1 LEU A 5 1.699 1.851 2.531 1.00 0.00 C ATOM 64 CD2 LEU A 5 2.843 1.366 4.725 1.00 0.00 C ATOM 0 H LEU A 5 -0.287 5.240 4.223 1.00 0.00 H new ATOM 0 HA LEU A 5 2.070 4.190 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.410 2.573 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.157 3.052 4.075 1.00 0.00 H new ATOM 0 HG LEU A 5 0.864 0.873 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.257 0.993 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.721 1.886 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.246 2.766 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.310 0.531 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.509 2.228 4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.653 1.084 5.761 1.00 0.00 H new ATOM 76 N LYS A 6 3.585 4.636 3.803 1.00 0.00 N ATOM 77 CA LYS A 6 4.574 4.750 2.736 1.00 0.00 C ATOM 78 C LYS A 6 5.198 3.363 2.549 1.00 0.00 C ATOM 79 O LYS A 6 5.739 2.798 3.507 1.00 0.00 O ATOM 80 CB LYS A 6 5.631 5.802 3.124 1.00 0.00 C ATOM 81 CG LYS A 6 5.536 7.109 2.317 1.00 0.00 C ATOM 82 CD LYS A 6 6.362 7.089 1.016 1.00 0.00 C ATOM 83 CE LYS A 6 7.147 8.407 0.865 1.00 0.00 C ATOM 84 NZ LYS A 6 7.919 8.476 -0.394 1.00 0.00 N ATOM 0 H LYS A 6 4.011 4.564 4.727 1.00 0.00 H new ATOM 0 HA LYS A 6 4.122 5.077 1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.527 6.033 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.624 5.373 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.491 7.300 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.874 7.937 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.052 6.245 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.702 6.950 0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.451 9.245 0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.828 8.517 1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.187 9.463 -0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.777 7.895 -0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.337 8.118 -1.178 1.00 0.00 H new ATOM 98 N MET A 7 5.107 2.805 1.337 1.00 0.00 N ATOM 99 CA MET A 7 5.657 1.501 1.017 1.00 0.00 C ATOM 100 C MET A 7 6.502 1.575 -0.247 1.00 0.00 C ATOM 101 O MET A 7 6.115 2.221 -1.219 1.00 0.00 O ATOM 102 CB MET A 7 4.544 0.457 0.885 1.00 0.00 C ATOM 103 CG MET A 7 3.543 0.710 -0.248 1.00 0.00 C ATOM 104 SD MET A 7 2.208 -0.515 -0.349 1.00 0.00 S ATOM 105 CE MET A 7 1.338 -0.049 -1.862 1.00 0.00 C ATOM 0 H MET A 7 4.643 3.257 0.549 1.00 0.00 H new ATOM 0 HA MET A 7 6.305 1.188 1.836 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.001 -0.521 0.733 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.998 0.410 1.827 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.104 1.699 -0.116 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.081 0.724 -1.196 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.442 -0.660 -1.969 1.00 0.00 H new ATOM 0 HE2 MET A 7 1.057 1.003 -1.811 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.990 -0.209 -2.721 1.00 0.00 H new ATOM 115 N LYS A 8 7.628 0.865 -0.249 1.00 0.00 N ATOM 116 CA LYS A 8 8.354 0.572 -1.468 1.00 0.00 C ATOM 117 C LYS A 8 7.644 -0.581 -2.179 1.00 0.00 C ATOM 118 O LYS A 8 7.057 -1.462 -1.536 1.00 0.00 O ATOM 119 CB LYS A 8 9.828 0.272 -1.157 1.00 0.00 C ATOM 120 CG LYS A 8 10.710 1.537 -1.241 1.00 0.00 C ATOM 121 CD LYS A 8 10.980 2.032 -2.676 1.00 0.00 C ATOM 122 CE LYS A 8 11.790 1.025 -3.513 1.00 0.00 C ATOM 123 NZ LYS A 8 13.153 1.482 -3.849 1.00 0.00 N ATOM 0 H LYS A 8 8.056 0.481 0.594 1.00 0.00 H new ATOM 0 HA LYS A 8 8.361 1.433 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.907 -0.158 -0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.201 -0.476 -1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.230 2.338 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.664 1.333 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.030 2.228 -3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.519 2.978 -2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.858 0.085 -2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.249 0.818 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.722 0.672 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.104 2.190 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.594 1.907 -3.008 1.00 0.00 H new ATOM 137 N VAL A 9 7.659 -0.529 -3.512 1.00 0.00 N ATOM 138 CA VAL A 9 6.980 -1.453 -4.403 1.00 0.00 C ATOM 139 C VAL A 9 7.958 -1.801 -5.528 1.00 0.00 C ATOM 140 O VAL A 9 7.821 -1.340 -6.659 1.00 0.00 O ATOM 141 CB VAL A 9 5.671 -0.822 -4.916 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.823 -1.872 -5.638 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.832 -0.240 -3.776 1.00 0.00 C ATOM 0 H VAL A 9 8.171 0.195 -4.017 1.00 0.00 H new ATOM 0 HA VAL A 9 6.691 -2.372 -3.893 1.00 0.00 H new ATOM 0 HB VAL A 9 5.955 -0.019 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.901 -1.413 -5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.381 -2.271 -6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.582 -2.681 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.918 0.195 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.576 -1.032 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.404 0.532 -3.261 1.00 0.00 H new ATOM 153 N GLU A 10 8.976 -2.593 -5.185 1.00 0.00 N ATOM 154 CA GLU A 10 9.992 -3.024 -6.129 1.00 0.00 C ATOM 155 C GLU A 10 9.419 -4.044 -7.120 1.00 0.00 C ATOM 156 O GLU A 10 8.273 -4.483 -7.007 1.00 0.00 O ATOM 157 CB GLU A 10 11.177 -3.616 -5.349 1.00 0.00 C ATOM 158 CG GLU A 10 11.924 -2.539 -4.548 1.00 0.00 C ATOM 159 CD GLU A 10 12.847 -1.677 -5.405 1.00 0.00 C ATOM 160 OE1 GLU A 10 12.786 -1.798 -6.644 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.592 -0.881 -4.790 1.00 0.00 O ATOM 0 H GLU A 10 9.113 -2.951 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 10 10.336 -2.168 -6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.816 -4.389 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.866 -4.097 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.197 -1.897 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.511 -3.020 -3.766 1.00 0.00 H new ATOM 168 N GLY A 11 10.238 -4.456 -8.088 1.00 0.00 N ATOM 169 CA GLY A 11 9.951 -5.609 -8.931 1.00 0.00 C ATOM 170 C GLY A 11 9.022 -5.282 -10.101 1.00 0.00 C ATOM 171 O GLY A 11 9.311 -5.670 -11.232 1.00 0.00 O ATOM 0 H GLY A 11 11.121 -3.996 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.887 -6.009 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.498 -6.392 -8.323 1.00 0.00 H new ATOM 175 N MET A 12 7.906 -4.591 -9.851 1.00 0.00 N ATOM 176 CA MET A 12 7.057 -4.107 -10.936 1.00 0.00 C ATOM 177 C MET A 12 7.887 -3.228 -11.887 1.00 0.00 C ATOM 178 O MET A 12 8.784 -2.513 -11.439 1.00 0.00 O ATOM 179 CB MET A 12 5.858 -3.319 -10.393 1.00 0.00 C ATOM 180 CG MET A 12 4.788 -4.139 -9.665 1.00 0.00 C ATOM 181 SD MET A 12 5.089 -4.559 -7.936 1.00 0.00 S ATOM 182 CE MET A 12 3.409 -5.014 -7.447 1.00 0.00 C ATOM 0 H MET A 12 7.574 -4.357 -8.915 1.00 0.00 H new ATOM 0 HA MET A 12 6.670 -4.967 -11.482 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.230 -2.556 -9.709 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.384 -2.798 -11.225 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.849 -3.588 -9.718 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.644 -5.068 -10.216 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.440 -5.566 -6.508 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.811 -4.112 -7.318 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.962 -5.639 -8.220 1.00 0.00 H new ATOM 192 N THR A 13 7.605 -3.280 -13.195 1.00 0.00 N ATOM 193 CA THR A 13 8.356 -2.550 -14.212 1.00 0.00 C ATOM 194 C THR A 13 7.403 -2.054 -15.306 1.00 0.00 C ATOM 195 O THR A 13 6.487 -2.785 -15.688 1.00 0.00 O ATOM 196 CB THR A 13 9.514 -3.407 -14.737 1.00 0.00 C ATOM 197 OG1 THR A 13 10.358 -2.619 -15.552 1.00 0.00 O ATOM 198 CG2 THR A 13 9.021 -4.609 -15.538 1.00 0.00 C ATOM 0 H THR A 13 6.840 -3.837 -13.576 1.00 0.00 H new ATOM 0 HA THR A 13 8.816 -1.662 -13.778 1.00 0.00 H new ATOM 0 HB THR A 13 10.062 -3.782 -13.872 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.098 -3.169 -15.885 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.876 -5.187 -15.890 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.395 -5.237 -14.904 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.440 -4.263 -16.393 1.00 0.00 H new ATOM 206 N CYS A 14 7.609 -0.808 -15.762 1.00 0.00 N ATOM 207 CA CYS A 14 6.705 -0.022 -16.612 1.00 0.00 C ATOM 208 C CYS A 14 5.350 0.195 -15.934 1.00 0.00 C ATOM 209 O CYS A 14 4.953 -0.601 -15.091 1.00 0.00 O ATOM 210 CB CYS A 14 6.556 -0.617 -18.020 1.00 0.00 C ATOM 211 SG CYS A 14 7.870 0.026 -19.083 1.00 0.00 S ATOM 0 H CYS A 14 8.460 -0.294 -15.533 1.00 0.00 H new ATOM 0 HA CYS A 14 7.165 0.957 -16.744 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.609 -1.705 -17.975 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.580 -0.362 -18.434 1.00 0.00 H new ATOM 0 HG CYS A 14 7.749 -0.477 -20.276 1.00 0.00 H new ATOM 217 N HIS A 15 4.638 1.283 -16.259 1.00 0.00 N ATOM 218 CA HIS A 15 3.408 1.669 -15.563 1.00 0.00 C ATOM 219 C HIS A 15 2.249 0.720 -15.907 1.00 0.00 C ATOM 220 O HIS A 15 1.308 1.085 -16.610 1.00 0.00 O ATOM 221 CB HIS A 15 3.071 3.142 -15.830 1.00 0.00 C ATOM 222 CG HIS A 15 1.990 3.653 -14.909 1.00 0.00 C ATOM 223 ND1 HIS A 15 0.700 3.174 -14.845 1.00 0.00 N ATOM 224 CD2 HIS A 15 2.146 4.553 -13.888 1.00 0.00 C ATOM 225 CE1 HIS A 15 0.089 3.782 -13.813 1.00 0.00 C ATOM 226 NE2 HIS A 15 0.932 4.630 -13.200 1.00 0.00 N ATOM 0 H HIS A 15 4.901 1.919 -17.012 1.00 0.00 H new ATOM 0 HA HIS A 15 3.573 1.572 -14.490 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.969 3.747 -15.705 1.00 0.00 H new ATOM 0 HB3 HIS A 15 2.750 3.258 -16.865 1.00 0.00 H new ATOM 0 HD1 HIS A 15 0.283 2.482 -15.468 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.046 5.104 -13.656 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.936 3.612 -13.518 1.00 0.00 H new ATOM 234 N SER A 16 2.341 -0.508 -15.401 1.00 0.00 N ATOM 235 CA SER A 16 1.545 -1.657 -15.776 1.00 0.00 C ATOM 236 C SER A 16 0.873 -2.188 -14.514 1.00 0.00 C ATOM 237 O SER A 16 -0.281 -1.854 -14.249 1.00 0.00 O ATOM 238 CB SER A 16 2.485 -2.664 -16.454 1.00 0.00 C ATOM 239 OG SER A 16 1.801 -3.860 -16.763 1.00 0.00 O ATOM 0 H SER A 16 3.019 -0.733 -14.673 1.00 0.00 H new ATOM 0 HA SER A 16 0.751 -1.426 -16.486 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.895 -2.229 -17.365 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.327 -2.881 -15.797 1.00 0.00 H new ATOM 0 HG SER A 16 2.417 -4.487 -17.196 1.00 0.00 H new ATOM 245 N CYS A 17 1.611 -2.950 -13.696 1.00 0.00 N ATOM 246 CA CYS A 17 1.155 -3.497 -12.421 1.00 0.00 C ATOM 247 C CYS A 17 0.958 -2.363 -11.413 1.00 0.00 C ATOM 248 O CYS A 17 1.741 -2.195 -10.482 1.00 0.00 O ATOM 249 CB CYS A 17 2.163 -4.531 -11.900 1.00 0.00 C ATOM 250 SG CYS A 17 2.055 -6.065 -12.848 1.00 0.00 S ATOM 0 H CYS A 17 2.573 -3.208 -13.915 1.00 0.00 H new ATOM 0 HA CYS A 17 0.199 -4.000 -12.563 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.173 -4.127 -11.967 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.971 -4.735 -10.847 1.00 0.00 H new ATOM 0 HG CYS A 17 2.919 -6.921 -12.389 1.00 0.00 H new ATOM 256 N THR A 18 -0.100 -1.585 -11.624 1.00 0.00 N ATOM 257 CA THR A 18 -0.451 -0.390 -10.882 1.00 0.00 C ATOM 258 C THR A 18 -1.955 -0.429 -10.682 1.00 0.00 C ATOM 259 O THR A 18 -2.414 -0.978 -9.689 1.00 0.00 O ATOM 260 CB THR A 18 -0.019 0.854 -11.676 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.456 0.766 -13.027 1.00 0.00 O ATOM 262 CG2 THR A 18 1.498 0.984 -11.676 1.00 0.00 C ATOM 0 H THR A 18 -0.772 -1.789 -12.363 1.00 0.00 H new ATOM 0 HA THR A 18 0.053 -0.346 -9.917 1.00 0.00 H new ATOM 0 HB THR A 18 -0.470 1.723 -11.197 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.238 -0.120 -13.384 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.787 1.869 -12.242 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.855 1.076 -10.650 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.939 0.099 -12.136 1.00 0.00 H new ATOM 270 N SER A 19 -2.730 0.078 -11.639 1.00 0.00 N ATOM 271 CA SER A 19 -4.150 0.308 -11.461 1.00 0.00 C ATOM 272 C SER A 19 -4.913 -0.925 -11.021 1.00 0.00 C ATOM 273 O SER A 19 -5.818 -0.838 -10.195 1.00 0.00 O ATOM 274 CB SER A 19 -4.722 0.946 -12.729 1.00 0.00 C ATOM 275 OG SER A 19 -3.733 1.765 -13.331 1.00 0.00 O ATOM 0 H SER A 19 -2.382 0.340 -12.562 1.00 0.00 H new ATOM 0 HA SER A 19 -4.278 1.004 -10.632 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.043 0.172 -13.426 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.603 1.540 -12.485 1.00 0.00 H new ATOM 0 HG SER A 19 -4.097 2.173 -14.144 1.00 0.00 H new ATOM 281 N THR A 20 -4.502 -2.077 -11.535 1.00 0.00 N ATOM 282 CA THR A 20 -4.934 -3.358 -11.037 1.00 0.00 C ATOM 283 C THR A 20 -4.784 -3.459 -9.516 1.00 0.00 C ATOM 284 O THR A 20 -5.766 -3.662 -8.799 1.00 0.00 O ATOM 285 CB THR A 20 -4.103 -4.418 -11.764 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.310 -4.288 -13.155 1.00 0.00 O ATOM 287 CG2 THR A 20 -4.519 -5.797 -11.283 1.00 0.00 C ATOM 0 H THR A 20 -3.852 -2.139 -12.318 1.00 0.00 H new ATOM 0 HA THR A 20 -5.996 -3.506 -11.232 1.00 0.00 H new ATOM 0 HB THR A 20 -3.043 -4.282 -11.551 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.780 -4.962 -13.629 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.929 -6.555 -11.798 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.350 -5.874 -10.209 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.577 -5.953 -11.496 1.00 0.00 H new ATOM 295 N ILE A 21 -3.543 -3.345 -9.036 1.00 0.00 N ATOM 296 CA ILE A 21 -3.216 -3.370 -7.628 1.00 0.00 C ATOM 297 C ILE A 21 -4.042 -2.298 -6.922 1.00 0.00 C ATOM 298 O ILE A 21 -4.716 -2.610 -5.947 1.00 0.00 O ATOM 299 CB ILE A 21 -1.687 -3.207 -7.465 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.960 -4.552 -7.624 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.251 -2.588 -6.139 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.695 -4.880 -9.087 1.00 0.00 C ATOM 0 H ILE A 21 -2.727 -3.231 -9.638 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.471 -4.321 -7.160 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.410 -2.514 -8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.015 -4.521 -7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.559 -5.345 -7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.164 -2.512 -6.113 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.686 -1.594 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.591 -3.216 -5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.180 -5.838 -9.158 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.642 -4.937 -9.624 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.074 -4.101 -9.528 1.00 0.00 H new ATOM 314 N GLU A 22 -4.025 -1.059 -7.419 1.00 0.00 N ATOM 315 CA GLU A 22 -4.671 0.055 -6.749 1.00 0.00 C ATOM 316 C GLU A 22 -6.161 -0.224 -6.560 1.00 0.00 C ATOM 317 O GLU A 22 -6.654 -0.344 -5.444 1.00 0.00 O ATOM 318 CB GLU A 22 -4.432 1.346 -7.537 1.00 0.00 C ATOM 319 CG GLU A 22 -2.945 1.706 -7.561 1.00 0.00 C ATOM 320 CD GLU A 22 -2.722 3.031 -8.265 1.00 0.00 C ATOM 321 OE1 GLU A 22 -2.855 3.028 -9.506 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.424 4.010 -7.545 1.00 0.00 O ATOM 0 H GLU A 22 -3.564 -0.808 -8.293 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.236 0.179 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.798 1.227 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.000 2.161 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.563 1.762 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.384 0.921 -8.068 1.00 0.00 H new ATOM 329 N GLY A 23 -6.861 -0.343 -7.679 1.00 0.00 N ATOM 330 CA GLY A 23 -8.267 -0.694 -7.773 1.00 0.00 C ATOM 331 C GLY A 23 -8.632 -1.862 -6.858 1.00 0.00 C ATOM 332 O GLY A 23 -9.550 -1.738 -6.047 1.00 0.00 O ATOM 0 H GLY A 23 -6.438 -0.188 -8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.874 0.173 -7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.507 -0.954 -8.804 1.00 0.00 H new ATOM 336 N LYS A 24 -7.930 -2.996 -6.971 1.00 0.00 N ATOM 337 CA LYS A 24 -8.215 -4.148 -6.125 1.00 0.00 C ATOM 338 C LYS A 24 -8.050 -3.781 -4.649 1.00 0.00 C ATOM 339 O LYS A 24 -8.967 -3.979 -3.856 1.00 0.00 O ATOM 340 CB LYS A 24 -7.360 -5.356 -6.538 1.00 0.00 C ATOM 341 CG LYS A 24 -7.456 -6.507 -5.522 1.00 0.00 C ATOM 342 CD LYS A 24 -7.260 -7.886 -6.173 1.00 0.00 C ATOM 343 CE LYS A 24 -8.623 -8.565 -6.387 1.00 0.00 C ATOM 344 NZ LYS A 24 -8.506 -9.869 -7.073 1.00 0.00 N ATOM 0 H LYS A 24 -7.168 -3.135 -7.635 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.255 -4.443 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.682 -5.710 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.320 -5.046 -6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.704 -6.365 -4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.429 -6.475 -5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.745 -7.777 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.629 -8.510 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.109 -8.708 -5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.265 -7.907 -6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.452 -10.284 -7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.067 -9.732 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.916 -10.509 -6.504 1.00 0.00 H new ATOM 358 N ILE A 25 -6.892 -3.249 -4.266 1.00 0.00 N ATOM 359 CA ILE A 25 -6.606 -2.857 -2.901 1.00 0.00 C ATOM 360 C ILE A 25 -7.640 -1.855 -2.382 1.00 0.00 C ATOM 361 O ILE A 25 -8.018 -1.911 -1.215 1.00 0.00 O ATOM 362 CB ILE A 25 -5.156 -2.349 -2.860 1.00 0.00 C ATOM 363 CG1 ILE A 25 -4.129 -3.465 -3.107 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.849 -1.501 -1.632 1.00 0.00 C ATOM 365 CD1 ILE A 25 -4.044 -4.427 -1.939 1.00 0.00 C ATOM 0 H ILE A 25 -6.119 -3.078 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.689 -3.703 -2.219 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.056 -1.667 -3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.399 -4.013 -4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.149 -3.023 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.809 -1.175 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.503 -0.629 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.015 -2.092 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.306 -5.199 -2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.747 -3.884 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.017 -4.890 -1.778 1.00 0.00 H new ATOM 377 N GLY A 26 -8.162 -0.994 -3.256 1.00 0.00 N ATOM 378 CA GLY A 26 -9.240 -0.068 -2.959 1.00 0.00 C ATOM 379 C GLY A 26 -10.495 -0.738 -2.391 1.00 0.00 C ATOM 380 O GLY A 26 -11.307 -0.053 -1.773 1.00 0.00 O ATOM 0 H GLY A 26 -7.832 -0.925 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.882 0.674 -2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.507 0.468 -3.870 1.00 0.00 H new ATOM 384 N LYS A 27 -10.693 -2.049 -2.587 1.00 0.00 N ATOM 385 CA LYS A 27 -11.818 -2.755 -2.010 1.00 0.00 C ATOM 386 C LYS A 27 -11.515 -3.199 -0.579 1.00 0.00 C ATOM 387 O LYS A 27 -12.445 -3.524 0.156 1.00 0.00 O ATOM 388 CB LYS A 27 -12.185 -3.942 -2.900 1.00 0.00 C ATOM 389 CG LYS A 27 -13.143 -3.514 -4.017 1.00 0.00 C ATOM 390 CD LYS A 27 -14.588 -3.381 -3.511 1.00 0.00 C ATOM 391 CE LYS A 27 -15.562 -3.177 -4.680 1.00 0.00 C ATOM 392 NZ LYS A 27 -16.955 -3.012 -4.214 1.00 0.00 N ATOM 0 H LYS A 27 -10.076 -2.636 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.673 -2.081 -1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.281 -4.369 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.649 -4.723 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.814 -2.561 -4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.107 -4.244 -4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.866 -4.275 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.660 -2.540 -2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.264 -2.298 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.504 -4.031 -5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.581 -2.877 -5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -17.249 -3.861 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -17.016 -2.182 -3.591 1.00 0.00 H new ATOM 406 N LEU A 28 -10.238 -3.286 -0.186 1.00 0.00 N ATOM 407 CA LEU A 28 -9.879 -3.937 1.044 1.00 0.00 C ATOM 408 C LEU A 28 -10.364 -3.152 2.263 1.00 0.00 C ATOM 409 O LEU A 28 -10.211 -1.933 2.366 1.00 0.00 O ATOM 410 CB LEU A 28 -8.373 -4.157 1.129 1.00 0.00 C ATOM 411 CG LEU A 28 -7.731 -5.164 0.158 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.204 -6.342 0.964 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.647 -5.732 -0.919 1.00 0.00 C ATOM 0 H LEU A 28 -9.450 -2.909 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.376 -4.907 1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.886 -3.193 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.140 -4.478 2.144 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.959 -4.598 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.745 -7.067 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.461 -5.990 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.028 -6.814 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.087 -6.429 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.480 -6.255 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.030 -4.920 -1.536 1.00 0.00 H new ATOM 425 N GLN A 29 -10.915 -3.897 3.217 1.00 0.00 N ATOM 426 CA GLN A 29 -11.407 -3.381 4.480 1.00 0.00 C ATOM 427 C GLN A 29 -10.324 -2.565 5.197 1.00 0.00 C ATOM 428 O GLN A 29 -9.287 -3.100 5.581 1.00 0.00 O ATOM 429 CB GLN A 29 -11.976 -4.530 5.319 1.00 0.00 C ATOM 430 CG GLN A 29 -10.897 -5.550 5.696 1.00 0.00 C ATOM 431 CD GLN A 29 -11.473 -6.948 5.887 1.00 0.00 C ATOM 432 OE1 GLN A 29 -12.021 -7.524 4.953 1.00 0.00 O ATOM 433 NE2 GLN A 29 -11.354 -7.513 7.083 1.00 0.00 N ATOM 0 H GLN A 29 -11.033 -4.906 3.125 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.226 -2.684 4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.429 -4.128 6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.769 -5.029 4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.135 -5.576 4.917 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.404 -5.233 6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.893 -7.010 7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.723 -8.450 7.243 1.00 0.00 H new ATOM 442 N GLY A 30 -10.564 -1.261 5.361 1.00 0.00 N ATOM 443 CA GLY A 30 -9.680 -0.364 6.086 1.00 0.00 C ATOM 444 C GLY A 30 -9.064 0.696 5.189 1.00 0.00 C ATOM 445 O GLY A 30 -8.643 1.735 5.694 1.00 0.00 O ATOM 0 H GLY A 30 -11.392 -0.799 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.238 0.122 6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.886 -0.944 6.557 1.00 0.00 H new ATOM 449 N VAL A 31 -8.995 0.454 3.878 1.00 0.00 N ATOM 450 CA VAL A 31 -8.356 1.371 2.971 1.00 0.00 C ATOM 451 C VAL A 31 -9.306 2.530 2.668 1.00 0.00 C ATOM 452 O VAL A 31 -10.452 2.319 2.278 1.00 0.00 O ATOM 453 CB VAL A 31 -7.953 0.569 1.726 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.636 1.474 0.544 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.740 -0.313 2.037 1.00 0.00 C ATOM 0 H VAL A 31 -9.381 -0.378 3.432 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.458 1.820 3.395 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.804 -0.055 1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.356 0.865 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.515 2.069 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.810 2.136 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.463 -0.878 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.903 0.314 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.990 -1.004 2.842 1.00 0.00 H new ATOM 465 N GLN A 32 -8.806 3.754 2.838 1.00 0.00 N ATOM 466 CA GLN A 32 -9.448 4.983 2.403 1.00 0.00 C ATOM 467 C GLN A 32 -9.021 5.290 0.963 1.00 0.00 C ATOM 468 O GLN A 32 -9.876 5.570 0.125 1.00 0.00 O ATOM 469 CB GLN A 32 -9.145 6.118 3.385 1.00 0.00 C ATOM 470 CG GLN A 32 -10.204 6.288 4.483 1.00 0.00 C ATOM 471 CD GLN A 32 -11.342 7.208 4.046 1.00 0.00 C ATOM 472 OE1 GLN A 32 -11.937 7.012 2.992 1.00 0.00 O ATOM 473 NE2 GLN A 32 -11.650 8.235 4.835 1.00 0.00 N ATOM 0 H GLN A 32 -7.911 3.917 3.299 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.532 4.870 2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.178 5.933 3.852 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.058 7.052 2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.609 5.312 4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -9.734 6.693 5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -11.141 8.378 5.707 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -12.395 8.879 4.567 1.00 0.00 H new ATOM 482 N ARG A 33 -7.717 5.243 0.639 1.00 0.00 N ATOM 483 CA ARG A 33 -7.287 5.449 -0.742 1.00 0.00 C ATOM 484 C ARG A 33 -5.890 4.876 -0.975 1.00 0.00 C ATOM 485 O ARG A 33 -5.215 4.487 -0.024 1.00 0.00 O ATOM 486 CB ARG A 33 -7.369 6.950 -1.096 1.00 0.00 C ATOM 487 CG ARG A 33 -8.119 7.212 -2.412 1.00 0.00 C ATOM 488 CD ARG A 33 -8.934 8.506 -2.306 1.00 0.00 C ATOM 489 NE ARG A 33 -9.708 8.751 -3.535 1.00 0.00 N ATOM 490 CZ ARG A 33 -10.805 9.525 -3.618 1.00 0.00 C ATOM 491 NH1 ARG A 33 -11.228 10.204 -2.545 1.00 0.00 N ATOM 492 NH2 ARG A 33 -11.473 9.616 -4.773 1.00 0.00 N ATOM 0 H ARG A 33 -6.963 5.068 1.303 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.959 4.909 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.868 7.483 -0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.360 7.357 -1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.409 7.287 -3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.780 6.374 -2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.610 8.444 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.265 9.346 -2.121 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.387 8.298 -4.391 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.718 10.135 -1.664 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.060 10.791 -2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.151 9.099 -5.591 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.305 10.203 -4.836 1.00 0.00 H new ATOM 506 N ILE A 34 -5.463 4.843 -2.240 1.00 0.00 N ATOM 507 CA ILE A 34 -4.170 4.327 -2.665 1.00 0.00 C ATOM 508 C ILE A 34 -3.610 5.202 -3.787 1.00 0.00 C ATOM 509 O ILE A 34 -4.380 5.726 -4.590 1.00 0.00 O ATOM 510 CB ILE A 34 -4.294 2.844 -3.069 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.907 2.301 -3.444 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.295 2.627 -4.220 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.789 0.792 -3.220 1.00 0.00 C ATOM 0 H ILE A 34 -6.029 5.186 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.462 4.368 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.686 2.295 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.703 2.527 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.148 2.813 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.344 1.566 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.282 2.975 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.969 3.187 -5.096 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.790 0.460 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.965 0.565 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.528 0.275 -3.831 1.00 0.00 H new ATOM 525 N LYS A 35 -2.289 5.415 -3.789 1.00 0.00 N ATOM 526 CA LYS A 35 -1.541 6.037 -4.869 1.00 0.00 C ATOM 527 C LYS A 35 -0.256 5.225 -5.077 1.00 0.00 C ATOM 528 O LYS A 35 0.647 5.311 -4.243 1.00 0.00 O ATOM 529 CB LYS A 35 -1.172 7.487 -4.511 1.00 0.00 C ATOM 530 CG LYS A 35 -2.350 8.470 -4.413 1.00 0.00 C ATOM 531 CD LYS A 35 -2.985 8.513 -3.012 1.00 0.00 C ATOM 532 CE LYS A 35 -3.910 9.724 -2.831 1.00 0.00 C ATOM 533 NZ LYS A 35 -3.162 10.989 -2.665 1.00 0.00 N ATOM 0 H LYS A 35 -1.696 5.145 -3.004 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.148 6.053 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.645 7.483 -3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.473 7.860 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.005 9.469 -4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.111 8.190 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.551 7.597 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.198 8.544 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.569 9.806 -3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.546 9.565 -1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.828 11.762 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.491 10.894 -1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.641 11.202 -3.540 1.00 0.00 H new ATOM 547 N VAL A 36 -0.157 4.445 -6.154 1.00 0.00 N ATOM 548 CA VAL A 36 1.048 3.708 -6.526 1.00 0.00 C ATOM 549 C VAL A 36 1.810 4.490 -7.597 1.00 0.00 C ATOM 550 O VAL A 36 1.245 4.837 -8.629 1.00 0.00 O ATOM 551 CB VAL A 36 0.675 2.286 -6.981 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.879 1.518 -7.537 1.00 0.00 C ATOM 553 CG2 VAL A 36 0.135 1.483 -5.791 1.00 0.00 C ATOM 0 H VAL A 36 -0.930 4.306 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 36 1.709 3.601 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.073 2.397 -7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.564 0.521 -7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.285 2.051 -8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.645 1.435 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.127 0.477 -6.120 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.899 1.424 -5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.751 1.976 -5.391 1.00 0.00 H new ATOM 563 N SER A 37 3.095 4.766 -7.351 1.00 0.00 N ATOM 564 CA SER A 37 3.985 5.458 -8.271 1.00 0.00 C ATOM 565 C SER A 37 5.084 4.486 -8.697 1.00 0.00 C ATOM 566 O SER A 37 6.185 4.479 -8.141 1.00 0.00 O ATOM 567 CB SER A 37 4.536 6.719 -7.601 1.00 0.00 C ATOM 568 OG SER A 37 5.295 7.470 -8.528 1.00 0.00 O ATOM 0 H SER A 37 3.552 4.503 -6.478 1.00 0.00 H new ATOM 0 HA SER A 37 3.456 5.784 -9.166 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.715 7.324 -7.217 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.157 6.445 -6.748 1.00 0.00 H new ATOM 0 HG SER A 37 5.507 8.346 -8.143 1.00 0.00 H new ATOM 574 N LEU A 38 4.768 3.650 -9.688 1.00 0.00 N ATOM 575 CA LEU A 38 5.702 2.707 -10.280 1.00 0.00 C ATOM 576 C LEU A 38 6.979 3.425 -10.709 1.00 0.00 C ATOM 577 O LEU A 38 8.067 2.957 -10.384 1.00 0.00 O ATOM 578 CB LEU A 38 4.995 1.948 -11.404 1.00 0.00 C ATOM 579 CG LEU A 38 5.682 0.610 -11.704 1.00 0.00 C ATOM 580 CD1 LEU A 38 4.649 -0.388 -12.212 1.00 0.00 C ATOM 581 CD2 LEU A 38 6.831 0.790 -12.694 1.00 0.00 C ATOM 0 H LEU A 38 3.838 3.613 -10.105 1.00 0.00 H new ATOM 0 HA LEU A 38 6.023 1.962 -9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.956 1.769 -11.125 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.982 2.561 -12.305 1.00 0.00 H new ATOM 0 HG LEU A 38 6.119 0.218 -10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.136 -1.339 -12.426 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.882 -0.536 -11.452 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.189 -0.004 -13.122 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.299 -0.175 -12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.446 1.200 -13.628 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.569 1.474 -12.274 1.00 0.00 H new ATOM 593 N ASP A 39 6.857 4.591 -11.348 1.00 0.00 N ATOM 594 CA ASP A 39 7.953 5.510 -11.624 1.00 0.00 C ATOM 595 C ASP A 39 8.894 5.613 -10.433 1.00 0.00 C ATOM 596 O ASP A 39 10.100 5.411 -10.556 1.00 0.00 O ATOM 597 CB ASP A 39 7.401 6.918 -11.877 1.00 0.00 C ATOM 598 CG ASP A 39 6.335 6.944 -12.966 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.331 6.219 -12.774 1.00 0.00 O ATOM 600 OD2 ASP A 39 6.548 7.665 -13.962 1.00 0.00 O ATOM 0 H ASP A 39 5.960 4.929 -11.697 1.00 0.00 H new ATOM 0 HA ASP A 39 8.486 5.127 -12.495 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.979 7.310 -10.952 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.220 7.580 -12.160 1.00 0.00 H new ATOM 605 N ASN A 40 8.323 5.954 -9.273 1.00 0.00 N ATOM 606 CA ASN A 40 9.106 6.195 -8.077 1.00 0.00 C ATOM 607 C ASN A 40 9.512 4.875 -7.402 1.00 0.00 C ATOM 608 O ASN A 40 10.251 4.882 -6.419 1.00 0.00 O ATOM 609 CB ASN A 40 8.356 7.104 -7.094 1.00 0.00 C ATOM 610 CG ASN A 40 9.331 7.922 -6.245 1.00 0.00 C ATOM 611 OD1 ASN A 40 10.017 8.789 -6.778 1.00 0.00 O ATOM 612 ND2 ASN A 40 9.410 7.723 -4.932 1.00 0.00 N ATOM 0 H ASN A 40 7.317 6.067 -9.146 1.00 0.00 H new ATOM 0 HA ASN A 40 10.017 6.711 -8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.697 7.775 -7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.723 6.499 -6.445 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.041 8.291 -4.367 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.839 7.002 -4.490 1.00 0.00 H new ATOM 619 N GLN A 41 8.978 3.745 -7.891 1.00 0.00 N ATOM 620 CA GLN A 41 9.098 2.393 -7.345 1.00 0.00 C ATOM 621 C GLN A 41 8.503 2.307 -5.948 1.00 0.00 C ATOM 622 O GLN A 41 8.862 1.452 -5.138 1.00 0.00 O ATOM 623 CB GLN A 41 10.545 1.905 -7.402 1.00 0.00 C ATOM 624 CG GLN A 41 11.104 2.290 -8.764 1.00 0.00 C ATOM 625 CD GLN A 41 12.396 1.550 -9.074 1.00 0.00 C ATOM 626 OE1 GLN A 41 13.472 1.973 -8.664 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.302 0.432 -9.789 1.00 0.00 N ATOM 0 H GLN A 41 8.411 3.758 -8.739 1.00 0.00 H new ATOM 0 HA GLN A 41 8.515 1.718 -7.971 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.134 2.357 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.591 0.825 -7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.366 2.071 -9.535 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.285 3.365 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.390 0.109 -10.114 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.141 -0.103 -10.012 1.00 0.00 H new ATOM 636 N GLU A 42 7.591 3.234 -5.681 1.00 0.00 N ATOM 637 CA GLU A 42 7.064 3.507 -4.356 1.00 0.00 C ATOM 638 C GLU A 42 5.563 3.767 -4.434 1.00 0.00 C ATOM 639 O GLU A 42 5.032 4.089 -5.494 1.00 0.00 O ATOM 640 CB GLU A 42 7.815 4.706 -3.763 1.00 0.00 C ATOM 641 CG GLU A 42 7.902 4.669 -2.231 1.00 0.00 C ATOM 642 CD GLU A 42 8.554 5.928 -1.700 1.00 0.00 C ATOM 643 OE1 GLU A 42 8.537 6.947 -2.423 1.00 0.00 O ATOM 644 OE2 GLU A 42 8.933 5.975 -0.511 1.00 0.00 O ATOM 0 H GLU A 42 7.188 3.832 -6.403 1.00 0.00 H new ATOM 0 HA GLU A 42 7.212 2.645 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.823 4.736 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.317 5.626 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.903 4.565 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.474 3.797 -1.916 1.00 0.00 H new ATOM 651 N ALA A 43 4.867 3.624 -3.309 1.00 0.00 N ATOM 652 CA ALA A 43 3.436 3.825 -3.229 1.00 0.00 C ATOM 653 C ALA A 43 3.073 4.348 -1.845 1.00 0.00 C ATOM 654 O ALA A 43 3.819 4.152 -0.882 1.00 0.00 O ATOM 655 CB ALA A 43 2.738 2.502 -3.487 1.00 0.00 C ATOM 0 H ALA A 43 5.293 3.362 -2.420 1.00 0.00 H new ATOM 0 HA ALA A 43 3.119 4.554 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.659 2.643 -3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.004 2.138 -4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.050 1.774 -2.738 1.00 0.00 H new ATOM 661 N THR A 44 1.904 4.978 -1.755 1.00 0.00 N ATOM 662 CA THR A 44 1.376 5.578 -0.564 1.00 0.00 C ATOM 663 C THR A 44 -0.074 5.112 -0.455 1.00 0.00 C ATOM 664 O THR A 44 -0.858 5.374 -1.371 1.00 0.00 O ATOM 665 CB THR A 44 1.485 7.096 -0.733 1.00 0.00 C ATOM 666 OG1 THR A 44 2.846 7.473 -0.830 1.00 0.00 O ATOM 667 CG2 THR A 44 0.852 7.805 0.455 1.00 0.00 C ATOM 0 H THR A 44 1.281 5.081 -2.556 1.00 0.00 H new ATOM 0 HA THR A 44 1.909 5.298 0.344 1.00 0.00 H new ATOM 0 HB THR A 44 0.960 7.383 -1.644 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.909 8.445 -0.940 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.936 8.884 0.322 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.200 7.529 0.525 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.366 7.511 1.370 1.00 0.00 H new ATOM 675 N ILE A 45 -0.436 4.417 0.626 1.00 0.00 N ATOM 676 CA ILE A 45 -1.822 4.067 0.911 1.00 0.00 C ATOM 677 C ILE A 45 -2.297 4.951 2.064 1.00 0.00 C ATOM 678 O ILE A 45 -1.476 5.410 2.858 1.00 0.00 O ATOM 679 CB ILE A 45 -1.977 2.576 1.226 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.185 1.747 0.210 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.463 2.160 1.169 1.00 0.00 C ATOM 682 CD1 ILE A 45 -1.150 0.306 0.672 1.00 0.00 C ATOM 0 H ILE A 45 0.226 4.083 1.326 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.442 4.245 0.032 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.595 2.395 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.647 1.816 -0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.172 2.137 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.552 1.098 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.030 2.736 1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.857 2.352 0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.588 -0.292 -0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.669 0.249 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.168 -0.077 0.746 1.00 0.00 H new ATOM 694 N VAL A 46 -3.607 5.183 2.168 1.00 0.00 N ATOM 695 CA VAL A 46 -4.226 5.797 3.327 1.00 0.00 C ATOM 696 C VAL A 46 -5.252 4.815 3.904 1.00 0.00 C ATOM 697 O VAL A 46 -6.129 4.352 3.174 1.00 0.00 O ATOM 698 CB VAL A 46 -4.703 7.216 3.014 1.00 0.00 C ATOM 699 CG1 VAL A 46 -5.877 7.232 2.074 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.025 8.005 4.285 1.00 0.00 C ATOM 0 H VAL A 46 -4.272 4.943 1.433 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.514 5.972 4.133 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.871 7.708 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.177 8.263 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.597 6.756 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.709 6.689 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.360 9.007 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.813 7.496 4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.132 8.075 4.906 1.00 0.00 H new ATOM 710 N TYR A 47 -5.075 4.433 5.172 1.00 0.00 N ATOM 711 CA TYR A 47 -5.850 3.442 5.920 1.00 0.00 C ATOM 712 C TYR A 47 -5.673 3.732 7.408 1.00 0.00 C ATOM 713 O TYR A 47 -5.023 4.709 7.746 1.00 0.00 O ATOM 714 CB TYR A 47 -5.418 2.010 5.577 1.00 0.00 C ATOM 715 CG TYR A 47 -3.961 1.671 5.816 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.473 1.398 7.109 1.00 0.00 C ATOM 717 CD2 TYR A 47 -3.135 1.440 4.706 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.170 0.908 7.280 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.870 0.866 4.872 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.383 0.603 6.159 1.00 0.00 C ATOM 721 OH TYR A 47 -0.128 0.100 6.303 1.00 0.00 O ATOM 0 H TYR A 47 -4.333 4.838 5.743 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.903 3.517 5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.029 1.320 6.159 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.643 1.827 4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.103 1.566 7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.478 1.707 3.717 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.773 0.765 8.274 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.269 0.626 4.008 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.181 -0.835 6.591 1.00 0.00 H new ATOM 731 N GLN A 48 -6.239 2.932 8.316 1.00 0.00 N ATOM 732 CA GLN A 48 -5.952 3.038 9.736 1.00 0.00 C ATOM 733 C GLN A 48 -5.779 1.666 10.398 1.00 0.00 C ATOM 734 O GLN A 48 -6.436 0.710 9.980 1.00 0.00 O ATOM 735 CB GLN A 48 -7.063 3.829 10.411 1.00 0.00 C ATOM 736 CG GLN A 48 -8.424 3.527 9.796 1.00 0.00 C ATOM 737 CD GLN A 48 -9.582 4.130 10.588 1.00 0.00 C ATOM 738 OE1 GLN A 48 -9.426 4.537 11.735 1.00 0.00 O ATOM 739 NE2 GLN A 48 -10.764 4.199 9.984 1.00 0.00 N ATOM 0 H GLN A 48 -6.906 2.197 8.081 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.003 3.560 9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.084 3.592 11.475 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.854 4.895 10.326 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.449 3.911 8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.557 2.447 9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.870 3.854 9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.565 4.597 10.475 1.00 0.00 H new ATOM 748 N PRO A 49 -4.937 1.568 11.448 1.00 0.00 N ATOM 749 CA PRO A 49 -4.744 0.357 12.234 1.00 0.00 C ATOM 750 C PRO A 49 -5.999 0.056 13.063 1.00 0.00 C ATOM 751 O PRO A 49 -6.014 0.238 14.279 1.00 0.00 O ATOM 752 CB PRO A 49 -3.522 0.632 13.120 1.00 0.00 C ATOM 753 CG PRO A 49 -3.564 2.146 13.315 1.00 0.00 C ATOM 754 CD PRO A 49 -4.108 2.646 11.977 1.00 0.00 C ATOM 0 HA PRO A 49 -4.578 -0.521 11.610 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.587 0.102 14.070 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.597 0.314 12.640 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.211 2.429 14.145 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.576 2.554 13.527 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.692 3.557 12.110 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.295 2.885 11.291 1.00 0.00 H new ATOM 762 N HIS A 50 -7.058 -0.390 12.391 1.00 0.00 N ATOM 763 CA HIS A 50 -8.298 -0.857 12.992 1.00 0.00 C ATOM 764 C HIS A 50 -8.819 -2.030 12.169 1.00 0.00 C ATOM 765 O HIS A 50 -8.943 -3.141 12.676 1.00 0.00 O ATOM 766 CB HIS A 50 -9.332 0.282 13.062 1.00 0.00 C ATOM 767 CG HIS A 50 -9.440 0.918 14.427 1.00 0.00 C ATOM 768 ND1 HIS A 50 -8.394 1.237 15.261 1.00 0.00 N ATOM 769 CD2 HIS A 50 -10.601 1.178 15.105 1.00 0.00 C ATOM 770 CE1 HIS A 50 -8.917 1.691 16.413 1.00 0.00 C ATOM 771 NE2 HIS A 50 -10.259 1.674 16.366 1.00 0.00 N ATOM 0 H HIS A 50 -7.073 -0.436 11.372 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.117 -1.186 14.015 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.066 1.048 12.334 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.309 -0.107 12.773 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.401 1.146 15.045 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.603 1.027 14.732 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.337 2.024 17.261 1.00 0.00 H new ATOM 779 N LEU A 51 -9.119 -1.782 10.891 1.00 0.00 N ATOM 780 CA LEU A 51 -9.622 -2.814 10.000 1.00 0.00 C ATOM 781 C LEU A 51 -8.472 -3.611 9.389 1.00 0.00 C ATOM 782 O LEU A 51 -8.707 -4.721 8.914 1.00 0.00 O ATOM 783 CB LEU A 51 -10.494 -2.176 8.914 1.00 0.00 C ATOM 784 CG LEU A 51 -11.878 -1.762 9.437 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.510 -0.738 8.491 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.814 -2.971 9.566 1.00 0.00 C ATOM 0 H LEU A 51 -9.019 -0.866 10.454 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.234 -3.512 10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.985 -1.300 8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.616 -2.880 8.091 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.740 -1.323 10.425 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.491 -0.450 8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.872 0.143 8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.618 -1.177 7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.784 -2.642 9.938 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.940 -3.439 8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.384 -3.692 10.261 1.00 0.00 H new ATOM 798 N ILE A 52 -7.247 -3.063 9.387 1.00 0.00 N ATOM 799 CA ILE A 52 -6.081 -3.730 8.856 1.00 0.00 C ATOM 800 C ILE A 52 -4.996 -3.814 9.919 1.00 0.00 C ATOM 801 O ILE A 52 -4.895 -2.938 10.776 1.00 0.00 O ATOM 802 CB ILE A 52 -5.636 -3.018 7.582 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.611 -3.854 6.813 1.00 0.00 C ATOM 804 CG2 ILE A 52 -5.061 -1.644 7.879 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.241 -5.155 6.318 1.00 0.00 C ATOM 0 H ILE A 52 -7.052 -2.134 9.761 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.314 -4.759 8.583 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.524 -2.891 6.963 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.230 -3.283 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.760 -4.077 7.456 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.755 -1.168 6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.818 -1.031 8.368 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.197 -1.745 8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.496 -5.736 5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.600 -5.733 7.170 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.077 -4.926 5.657 1.00 0.00 H new ATOM 817 N SER A 53 -4.139 -4.832 9.822 1.00 0.00 N ATOM 818 CA SER A 53 -3.110 -5.128 10.804 1.00 0.00 C ATOM 819 C SER A 53 -1.849 -4.271 10.643 1.00 0.00 C ATOM 820 O SER A 53 -0.771 -4.656 11.085 1.00 0.00 O ATOM 821 CB SER A 53 -2.796 -6.615 10.724 1.00 0.00 C ATOM 822 OG SER A 53 -3.997 -7.377 10.692 1.00 0.00 O ATOM 0 H SER A 53 -4.146 -5.485 9.038 1.00 0.00 H new ATOM 0 HA SER A 53 -3.490 -4.874 11.793 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.204 -6.820 9.832 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.193 -6.912 11.582 1.00 0.00 H new ATOM 0 HG SER A 53 -4.021 -7.916 9.874 1.00 0.00 H new ATOM 828 N VAL A 54 -1.988 -3.136 9.959 1.00 0.00 N ATOM 829 CA VAL A 54 -0.968 -2.200 9.513 1.00 0.00 C ATOM 830 C VAL A 54 -0.089 -2.858 8.454 1.00 0.00 C ATOM 831 O VAL A 54 -0.059 -2.427 7.304 1.00 0.00 O ATOM 832 CB VAL A 54 -0.245 -1.522 10.702 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.277 -1.701 10.717 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.539 -0.017 10.685 1.00 0.00 C ATOM 0 H VAL A 54 -2.916 -2.821 9.677 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.424 -1.350 9.005 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.632 -2.016 11.593 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.695 -1.192 11.586 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.518 -2.763 10.768 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.702 -1.276 9.808 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.031 0.462 11.522 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.182 0.413 9.749 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.613 0.145 10.772 1.00 0.00 H new ATOM 844 N GLU A 55 0.587 -3.932 8.833 1.00 0.00 N ATOM 845 CA GLU A 55 1.528 -4.629 7.982 1.00 0.00 C ATOM 846 C GLU A 55 0.785 -5.365 6.874 1.00 0.00 C ATOM 847 O GLU A 55 1.250 -5.395 5.731 1.00 0.00 O ATOM 848 CB GLU A 55 2.386 -5.570 8.828 1.00 0.00 C ATOM 849 CG GLU A 55 3.839 -5.525 8.341 1.00 0.00 C ATOM 850 CD GLU A 55 4.709 -6.547 9.055 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.818 -6.427 10.292 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.251 -7.422 8.344 1.00 0.00 O ATOM 0 H GLU A 55 0.492 -4.348 9.759 1.00 0.00 H new ATOM 0 HA GLU A 55 2.196 -3.914 7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.335 -5.279 9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.001 -6.588 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.868 -5.711 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.245 -4.527 8.503 1.00 0.00 H new ATOM 859 N GLU A 56 -0.371 -5.951 7.215 1.00 0.00 N ATOM 860 CA GLU A 56 -1.121 -6.773 6.282 1.00 0.00 C ATOM 861 C GLU A 56 -1.269 -6.095 4.931 1.00 0.00 C ATOM 862 O GLU A 56 -0.977 -6.709 3.911 1.00 0.00 O ATOM 863 CB GLU A 56 -2.514 -7.084 6.820 1.00 0.00 C ATOM 864 CG GLU A 56 -2.624 -8.508 7.348 1.00 0.00 C ATOM 865 CD GLU A 56 -4.084 -8.884 7.360 1.00 0.00 C ATOM 866 OE1 GLU A 56 -4.586 -9.168 6.245 1.00 0.00 O ATOM 867 OE2 GLU A 56 -4.655 -8.779 8.467 1.00 0.00 O ATOM 0 H GLU A 56 -0.800 -5.865 8.136 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.556 -7.697 6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.758 -6.383 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.249 -6.934 6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.058 -9.194 6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.204 -8.577 8.351 1.00 0.00 H new ATOM 874 N MET A 57 -1.721 -4.839 4.926 1.00 0.00 N ATOM 875 CA MET A 57 -1.930 -4.085 3.713 1.00 0.00 C ATOM 876 C MET A 57 -0.777 -4.272 2.728 1.00 0.00 C ATOM 877 O MET A 57 -0.993 -4.583 1.561 1.00 0.00 O ATOM 878 CB MET A 57 -2.153 -2.615 4.076 1.00 0.00 C ATOM 879 CG MET A 57 -3.515 -2.141 3.574 1.00 0.00 C ATOM 880 SD MET A 57 -3.772 -2.135 1.788 1.00 0.00 S ATOM 881 CE MET A 57 -4.930 -3.519 1.656 1.00 0.00 C ATOM 0 H MET A 57 -1.950 -4.323 5.776 1.00 0.00 H new ATOM 0 HA MET A 57 -2.818 -4.457 3.203 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.093 -2.488 5.157 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.364 -2.003 3.639 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.281 -2.773 4.024 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.679 -1.129 3.943 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.701 -3.280 0.924 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.394 -4.413 1.339 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.394 -3.699 2.626 1.00 0.00 H new ATOM 891 N LYS A 58 0.457 -4.136 3.210 1.00 0.00 N ATOM 892 CA LYS A 58 1.634 -4.376 2.400 1.00 0.00 C ATOM 893 C LYS A 58 1.797 -5.866 2.113 1.00 0.00 C ATOM 894 O LYS A 58 1.987 -6.252 0.962 1.00 0.00 O ATOM 895 CB LYS A 58 2.847 -3.804 3.142 1.00 0.00 C ATOM 896 CG LYS A 58 4.175 -3.970 2.398 1.00 0.00 C ATOM 897 CD LYS A 58 4.290 -3.053 1.180 1.00 0.00 C ATOM 898 CE LYS A 58 3.980 -3.796 -0.115 1.00 0.00 C ATOM 899 NZ LYS A 58 4.052 -2.907 -1.289 1.00 0.00 N ATOM 0 H LYS A 58 0.661 -3.857 4.170 1.00 0.00 H new ATOM 0 HA LYS A 58 1.537 -3.882 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.678 -2.743 3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.926 -4.289 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.998 -3.763 3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.280 -5.007 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.605 -2.213 1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.297 -2.639 1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.684 -4.619 -0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.984 -4.235 -0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.987 -3.474 -2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.265 -2.228 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.955 -2.391 -1.279 1.00 0.00 H new ATOM 913 N LYS A 59 1.767 -6.707 3.145 1.00 0.00 N ATOM 914 CA LYS A 59 2.042 -8.125 2.975 1.00 0.00 C ATOM 915 C LYS A 59 1.096 -8.799 1.973 1.00 0.00 C ATOM 916 O LYS A 59 1.503 -9.739 1.295 1.00 0.00 O ATOM 917 CB LYS A 59 2.101 -8.830 4.337 1.00 0.00 C ATOM 918 CG LYS A 59 3.189 -8.262 5.272 1.00 0.00 C ATOM 919 CD LYS A 59 4.506 -8.037 4.517 1.00 0.00 C ATOM 920 CE LYS A 59 5.720 -7.800 5.417 1.00 0.00 C ATOM 921 NZ LYS A 59 6.936 -7.640 4.594 1.00 0.00 N ATOM 0 H LYS A 59 1.555 -6.429 4.103 1.00 0.00 H new ATOM 0 HA LYS A 59 3.029 -8.223 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.130 -8.743 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.285 -9.893 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.848 -7.320 5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.355 -8.950 6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.701 -8.904 3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.388 -7.180 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.563 -6.910 6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.843 -8.638 6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.767 -7.564 5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.044 -8.465 3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.854 -6.778 4.018 1.00 0.00 H new ATOM 935 N GLN A 60 -0.123 -8.285 1.809 1.00 0.00 N ATOM 936 CA GLN A 60 -1.061 -8.731 0.791 1.00 0.00 C ATOM 937 C GLN A 60 -0.434 -8.508 -0.583 1.00 0.00 C ATOM 938 O GLN A 60 -0.358 -9.414 -1.408 1.00 0.00 O ATOM 939 CB GLN A 60 -2.357 -7.932 0.934 1.00 0.00 C ATOM 940 CG GLN A 60 -3.034 -8.136 2.302 1.00 0.00 C ATOM 941 CD GLN A 60 -4.230 -9.094 2.308 1.00 0.00 C ATOM 942 OE1 GLN A 60 -4.707 -9.503 1.253 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.747 -9.476 3.478 1.00 0.00 N ATOM 0 H GLN A 60 -0.488 -7.533 2.393 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.287 -9.791 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.143 -6.872 0.794 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.048 -8.225 0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.289 -8.508 3.005 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.365 -7.166 2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.345 -9.132 4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.544 -10.112 3.500 1.00 0.00 H new ATOM 952 N ILE A 61 0.043 -7.285 -0.809 1.00 0.00 N ATOM 953 CA ILE A 61 0.798 -6.965 -2.020 1.00 0.00 C ATOM 954 C ILE A 61 2.026 -7.868 -2.176 1.00 0.00 C ATOM 955 O ILE A 61 2.212 -8.432 -3.253 1.00 0.00 O ATOM 956 CB ILE A 61 1.131 -5.471 -2.160 1.00 0.00 C ATOM 957 CG1 ILE A 61 -0.095 -4.630 -2.565 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.210 -5.233 -3.234 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.785 -4.050 -1.339 1.00 0.00 C ATOM 0 H ILE A 61 -0.080 -6.500 -0.170 1.00 0.00 H new ATOM 0 HA ILE A 61 0.136 -7.181 -2.858 1.00 0.00 H new ATOM 0 HB ILE A 61 1.484 -5.163 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.216 -3.823 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.797 -5.249 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.422 -4.166 -3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.121 -5.766 -2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.852 -5.599 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.647 -3.461 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.116 -4.861 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.087 -3.412 -0.796 1.00 0.00 H new ATOM 971 N GLU A 62 2.865 -8.015 -1.142 1.00 0.00 N ATOM 972 CA GLU A 62 4.068 -8.846 -1.244 1.00 0.00 C ATOM 973 C GLU A 62 3.654 -10.245 -1.725 1.00 0.00 C ATOM 974 O GLU A 62 4.206 -10.788 -2.681 1.00 0.00 O ATOM 975 CB GLU A 62 4.816 -8.900 0.098 1.00 0.00 C ATOM 976 CG GLU A 62 5.244 -7.495 0.553 1.00 0.00 C ATOM 977 CD GLU A 62 6.128 -7.493 1.793 1.00 0.00 C ATOM 978 OE1 GLU A 62 6.589 -8.576 2.218 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.272 -6.412 2.409 1.00 0.00 O ATOM 0 H GLU A 62 2.733 -7.572 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 62 4.760 -8.412 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.176 -9.351 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.695 -9.538 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.777 -7.006 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.352 -6.901 0.753 1.00 0.00 H new ATOM 986 N ALA A 63 2.613 -10.782 -1.084 1.00 0.00 N ATOM 987 CA ALA A 63 2.025 -12.078 -1.371 1.00 0.00 C ATOM 988 C ALA A 63 1.475 -12.218 -2.796 1.00 0.00 C ATOM 989 O ALA A 63 1.333 -13.344 -3.265 1.00 0.00 O ATOM 990 CB ALA A 63 0.939 -12.363 -0.334 1.00 0.00 C ATOM 0 H ALA A 63 2.142 -10.299 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 63 2.823 -12.817 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.488 -13.334 -0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.380 -12.369 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.173 -11.589 -0.387 1.00 0.00 H new ATOM 996 N MET A 64 1.178 -11.122 -3.510 1.00 0.00 N ATOM 997 CA MET A 64 0.841 -11.224 -4.928 1.00 0.00 C ATOM 998 C MET A 64 2.013 -11.818 -5.712 1.00 0.00 C ATOM 999 O MET A 64 1.799 -12.474 -6.728 1.00 0.00 O ATOM 1000 CB MET A 64 0.454 -9.862 -5.516 1.00 0.00 C ATOM 1001 CG MET A 64 -0.790 -9.212 -4.894 1.00 0.00 C ATOM 1002 SD MET A 64 -2.374 -10.071 -5.102 1.00 0.00 S ATOM 1003 CE MET A 64 -2.456 -11.042 -3.579 1.00 0.00 C ATOM 0 H MET A 64 1.165 -10.174 -3.133 1.00 0.00 H new ATOM 0 HA MET A 64 -0.022 -11.885 -5.014 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.297 -9.181 -5.399 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.286 -9.981 -6.586 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.609 -9.093 -3.826 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.892 -8.211 -5.313 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.737 -12.068 -3.816 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.481 -11.037 -3.091 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.199 -10.608 -2.910 1.00 0.00 H new ATOM 1013 N GLY A 65 3.246 -11.583 -5.248 1.00 0.00 N ATOM 1014 CA GLY A 65 4.435 -12.207 -5.817 1.00 0.00 C ATOM 1015 C GLY A 65 5.621 -11.253 -5.821 1.00 0.00 C ATOM 1016 O GLY A 65 6.761 -11.678 -5.663 1.00 0.00 O ATOM 0 H GLY A 65 3.442 -10.955 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.687 -13.100 -5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.224 -12.531 -6.836 1.00 0.00 H new ATOM 1020 N PHE A 66 5.357 -9.962 -6.029 1.00 0.00 N ATOM 1021 CA PHE A 66 6.388 -8.942 -6.135 1.00 0.00 C ATOM 1022 C PHE A 66 6.907 -8.603 -4.734 1.00 0.00 C ATOM 1023 O PHE A 66 6.158 -7.996 -3.971 1.00 0.00 O ATOM 1024 CB PHE A 66 5.789 -7.700 -6.797 1.00 0.00 C ATOM 1025 CG PHE A 66 5.526 -7.892 -8.276 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.602 -7.809 -9.176 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.242 -8.214 -8.751 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.396 -8.019 -10.547 1.00 0.00 C ATOM 1029 CE2 PHE A 66 4.030 -8.405 -10.127 1.00 0.00 C ATOM 1030 CZ PHE A 66 5.106 -8.304 -11.028 1.00 0.00 C ATOM 0 H PHE A 66 4.410 -9.597 -6.129 1.00 0.00 H new ATOM 0 HA PHE A 66 7.219 -9.304 -6.740 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.855 -7.442 -6.297 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.467 -6.858 -6.660 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.592 -7.582 -8.810 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.419 -8.314 -8.059 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.228 -7.962 -11.233 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.039 -8.630 -10.494 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.941 -8.445 -12.086 1.00 0.00 H new ATOM 1040 N PRO A 67 8.152 -8.957 -4.368 1.00 0.00 N ATOM 1041 CA PRO A 67 8.666 -8.677 -3.040 1.00 0.00 C ATOM 1042 C PRO A 67 8.782 -7.164 -2.854 1.00 0.00 C ATOM 1043 O PRO A 67 9.521 -6.499 -3.579 1.00 0.00 O ATOM 1044 CB PRO A 67 10.022 -9.380 -2.960 1.00 0.00 C ATOM 1045 CG PRO A 67 10.487 -9.421 -4.415 1.00 0.00 C ATOM 1046 CD PRO A 67 9.180 -9.571 -5.196 1.00 0.00 C ATOM 0 HA PRO A 67 8.014 -9.039 -2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.722 -8.832 -2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.931 -10.381 -2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.020 -8.512 -4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.164 -10.256 -4.598 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.246 -9.080 -6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.955 -10.621 -5.385 1.00 0.00 H new ATOM 1054 N ALA A 68 8.023 -6.621 -1.903 1.00 0.00 N ATOM 1055 CA ALA A 68 7.939 -5.194 -1.639 1.00 0.00 C ATOM 1056 C ALA A 68 8.150 -4.938 -0.137 1.00 0.00 C ATOM 1057 O ALA A 68 8.606 -5.844 0.555 1.00 0.00 O ATOM 1058 CB ALA A 68 6.604 -4.730 -2.214 1.00 0.00 C ATOM 0 H ALA A 68 7.437 -7.179 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 68 8.721 -4.606 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.487 -3.660 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.579 -4.932 -3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.791 -5.267 -1.725 1.00 0.00 H new ATOM 1064 N PHE A 69 7.906 -3.717 0.373 1.00 0.00 N ATOM 1065 CA PHE A 69 8.306 -3.379 1.744 1.00 0.00 C ATOM 1066 C PHE A 69 7.561 -2.174 2.312 1.00 0.00 C ATOM 1067 O PHE A 69 7.403 -1.168 1.625 1.00 0.00 O ATOM 1068 CB PHE A 69 9.824 -3.132 1.812 1.00 0.00 C ATOM 1069 CG PHE A 69 10.559 -4.048 2.769 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.566 -3.775 4.150 1.00 0.00 C ATOM 1071 CD2 PHE A 69 11.243 -5.175 2.275 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.278 -4.611 5.028 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.966 -6.001 3.151 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.988 -5.716 4.527 1.00 0.00 C ATOM 0 H PHE A 69 7.443 -2.964 -0.135 1.00 0.00 H new ATOM 0 HA PHE A 69 8.037 -4.236 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.246 -3.253 0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.000 -2.098 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.025 -2.924 4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.212 -5.405 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.279 -4.404 6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.505 -6.855 2.767 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.551 -6.346 5.200 1.00 0.00 H new ATOM 1084 N VAL A 70 7.130 -2.272 3.573 1.00 0.00 N ATOM 1085 CA VAL A 70 6.510 -1.186 4.328 1.00 0.00 C ATOM 1086 C VAL A 70 7.606 -0.376 5.022 1.00 0.00 C ATOM 1087 O VAL A 70 8.534 -0.960 5.578 1.00 0.00 O ATOM 1088 CB VAL A 70 5.417 -1.684 5.291 1.00 0.00 C ATOM 1089 CG1 VAL A 70 5.798 -3.015 5.917 1.00 0.00 C ATOM 1090 CG2 VAL A 70 5.101 -0.681 6.410 1.00 0.00 C ATOM 0 H VAL A 70 7.206 -3.136 4.110 1.00 0.00 H new ATOM 0 HA VAL A 70 5.982 -0.527 3.639 1.00 0.00 H new ATOM 0 HB VAL A 70 4.522 -1.803 4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.006 -3.340 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.935 -3.760 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.727 -2.902 6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.323 -1.089 7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.000 -0.496 6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.755 0.255 5.972 1.00 0.00 H new ATOM 1100 N LYS A 71 7.509 0.958 4.977 1.00 0.00 N ATOM 1101 CA LYS A 71 8.416 1.844 5.707 1.00 0.00 C ATOM 1102 C LYS A 71 7.844 2.306 7.052 1.00 0.00 C ATOM 1103 O LYS A 71 8.375 1.931 8.094 1.00 0.00 O ATOM 1104 CB LYS A 71 8.838 3.035 4.844 1.00 0.00 C ATOM 1105 CG LYS A 71 9.595 2.558 3.597 1.00 0.00 C ATOM 1106 CD LYS A 71 10.538 3.644 3.060 1.00 0.00 C ATOM 1107 CE LYS A 71 11.964 3.557 3.637 1.00 0.00 C ATOM 1108 NZ LYS A 71 12.011 3.669 5.110 1.00 0.00 N ATOM 0 H LYS A 71 6.800 1.450 4.434 1.00 0.00 H new ATOM 0 HA LYS A 71 9.305 1.256 5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.958 3.605 4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.470 3.706 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.169 1.664 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.881 2.279 2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.588 3.566 1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.120 4.624 3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.411 2.609 3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.573 4.349 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.000 3.637 5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.582 4.570 5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.484 2.879 5.535 1.00 0.00 H new ATOM 1122 N LYS A 72 6.823 3.171 7.044 1.00 0.00 N ATOM 1123 CA LYS A 72 6.246 3.744 8.259 1.00 0.00 C ATOM 1124 C LYS A 72 4.747 3.963 8.028 1.00 0.00 C ATOM 1125 O LYS A 72 4.305 3.984 6.875 1.00 0.00 O ATOM 1126 CB LYS A 72 6.980 5.041 8.662 1.00 0.00 C ATOM 1127 CG LYS A 72 7.103 5.168 10.191 1.00 0.00 C ATOM 1128 CD LYS A 72 7.556 6.572 10.619 1.00 0.00 C ATOM 1129 CE LYS A 72 7.670 6.647 12.154 1.00 0.00 C ATOM 1130 NZ LYS A 72 7.577 8.032 12.661 1.00 0.00 N ATOM 0 H LYS A 72 6.373 3.493 6.187 1.00 0.00 H new ATOM 0 HA LYS A 72 6.372 3.057 9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.974 5.052 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.442 5.903 8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.141 4.942 10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.815 4.430 10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.518 6.807 10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.844 7.317 10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.880 6.045 12.604 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.619 6.212 12.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.082 8.034 13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.533 8.422 12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.050 8.616 11.981 1.00 0.00 H new ATOM 1144 N ILE A 73 3.988 4.059 9.128 1.00 0.00 N ATOM 1145 CA ILE A 73 2.547 3.848 9.182 1.00 0.00 C ATOM 1146 C ILE A 73 1.903 4.777 10.207 1.00 0.00 C ATOM 1147 O ILE A 73 1.708 4.372 11.351 1.00 0.00 O ATOM 1148 CB ILE A 73 2.202 2.378 9.470 1.00 0.00 C ATOM 1149 CG1 ILE A 73 3.355 1.567 10.053 1.00 0.00 C ATOM 1150 CG2 ILE A 73 1.780 1.735 8.152 1.00 0.00 C ATOM 1151 CD1 ILE A 73 3.659 1.885 11.522 1.00 0.00 C ATOM 0 H ILE A 73 4.383 4.296 10.038 1.00 0.00 H new ATOM 0 HA ILE A 73 2.138 4.090 8.201 1.00 0.00 H new ATOM 0 HB ILE A 73 1.412 2.374 10.221 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.122 0.506 9.962 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.251 1.749 9.459 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.528 0.688 8.322 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.910 2.258 7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.600 1.799 7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.490 1.268 11.863 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.924 2.938 11.619 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.779 1.675 12.129 1.00 0.00 H new ATOM 1163 N GLU A 74 1.613 6.026 9.838 1.00 0.00 N ATOM 1164 CA GLU A 74 1.050 6.973 10.791 1.00 0.00 C ATOM 1165 C GLU A 74 0.381 8.158 10.092 1.00 0.00 C ATOM 1166 O GLU A 74 0.362 8.234 8.867 1.00 0.00 O ATOM 1167 CB GLU A 74 2.163 7.421 11.767 1.00 0.00 C ATOM 1168 CG GLU A 74 3.365 8.023 11.009 1.00 0.00 C ATOM 1169 CD GLU A 74 4.588 8.262 11.877 1.00 0.00 C ATOM 1170 OE1 GLU A 74 4.788 7.543 12.878 1.00 0.00 O ATOM 1171 OE2 GLU A 74 5.445 9.083 11.485 1.00 0.00 O ATOM 0 H GLU A 74 1.757 6.398 8.899 1.00 0.00 H new ATOM 0 HA GLU A 74 0.259 6.483 11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.764 8.158 12.464 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.494 6.569 12.360 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.637 7.355 10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.061 8.968 10.560 1.00 0.00 H new ATOM 1178 N GLY A 75 -0.215 9.060 10.876 1.00 0.00 N ATOM 1179 CA GLY A 75 -0.896 10.240 10.366 1.00 0.00 C ATOM 1180 C GLY A 75 0.089 11.315 9.910 1.00 0.00 C ATOM 1181 O GLY A 75 1.240 11.024 9.589 1.00 0.00 O ATOM 0 H GLY A 75 -0.235 8.985 11.893 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.536 9.957 9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.545 10.648 11.141 1.00 0.00 H new ATOM 1185 N ARG A 76 -0.385 12.562 9.876 1.00 0.00 N ATOM 1186 CA ARG A 76 0.440 13.725 9.602 1.00 0.00 C ATOM 1187 C ARG A 76 0.894 14.336 10.930 1.00 0.00 C ATOM 1188 O ARG A 76 0.232 14.033 11.949 1.00 0.00 O ATOM 1189 CB ARG A 76 -0.364 14.748 8.789 1.00 0.00 C ATOM 1190 CG ARG A 76 0.573 15.514 7.852 1.00 0.00 C ATOM 1191 CD ARG A 76 -0.125 16.735 7.249 1.00 0.00 C ATOM 1192 NE ARG A 76 0.767 17.409 6.293 1.00 0.00 N ATOM 1193 CZ ARG A 76 0.625 18.670 5.853 1.00 0.00 C ATOM 1194 NH1 ARG A 76 -0.429 19.396 6.238 1.00 0.00 N ATOM 1195 NH2 ARG A 76 1.540 19.193 5.030 1.00 0.00 N ATOM 1196 OXT ARG A 76 1.861 15.127 10.889 1.00 0.00 O ATOM 0 H ARG A 76 -1.366 12.788 10.041 1.00 0.00 H new ATOM 0 HA ARG A 76 1.316 13.433 9.023 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.137 14.241 8.211 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.871 15.442 9.459 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.460 15.832 8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.912 14.854 7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.042 16.428 6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.411 17.427 8.041 1.00 0.00 H new ATOM 0 HE ARG A 76 1.559 16.875 5.935 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.125 18.992 6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.538 20.354 5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.342 18.635 4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.436 20.150 4.694 1.00 0.00 H new TER 1210 ARG A 76