USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 426 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 9 ASN : amide:sc= -0.268 X(o=-1.4,f=-1.3) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -1.16 USER MOD Set 2.1: A 50 THR OG1 : rot 91:sc= 0.205 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0.213 USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= -0.451 USER MOD Set 3.2: A 54 THR OG1 : rot 113:sc= 0.425 USER MOD Single : A 2 THR OG1 : rot 30:sc= 0.293 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -167:sc= -1.13 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -14:sc= 1.22 USER MOD Single : A 29 LYS NZ :NH3+ -114:sc=-0.00607 (180deg=-0.073) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0601 K(o=-0.06,f=-1.4!) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.405 USER MOD Single : A 36 ASN : amide:sc= 0.305 X(o=0.3,f=-0.16) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.986 -12.580 5.596 1.00 0.00 N ATOM 21 CA THR A 2 -2.525 -11.557 4.652 1.00 0.00 C ATOM 22 C THR A 2 -1.712 -10.263 4.755 1.00 0.00 C ATOM 23 O THR A 2 -2.240 -9.175 4.617 1.00 0.00 O ATOM 24 CB THR A 2 -3.969 -11.326 5.104 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.664 -12.566 5.111 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.662 -10.357 4.144 1.00 0.00 C ATOM 0 HA THR A 2 -2.471 -11.881 3.613 1.00 0.00 H new ATOM 0 HB THR A 2 -3.971 -10.900 6.107 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.034 -13.293 5.301 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.690 -10.195 4.469 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.129 -9.406 4.139 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.662 -10.778 3.139 1.00 0.00 H new ATOM 34 N THR A 3 -0.429 -10.375 4.992 1.00 0.00 N ATOM 35 CA THR A 3 0.427 -9.154 5.101 1.00 0.00 C ATOM 36 C THR A 3 0.651 -8.546 3.715 1.00 0.00 C ATOM 37 O THR A 3 1.348 -9.106 2.888 1.00 0.00 O ATOM 38 CB THR A 3 1.753 -9.641 5.695 1.00 0.00 C ATOM 39 OG1 THR A 3 1.493 -10.396 6.868 1.00 0.00 O ATOM 40 CG2 THR A 3 2.639 -8.440 6.043 1.00 0.00 C ATOM 0 H THR A 3 0.063 -11.260 5.115 1.00 0.00 H new ATOM 0 HA THR A 3 -0.032 -8.383 5.719 1.00 0.00 H new ATOM 0 HB THR A 3 2.269 -10.265 4.965 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.339 -10.710 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.580 -8.792 6.465 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.839 -7.862 5.141 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.128 -7.810 6.771 1.00 0.00 H new ATOM 48 N PHE A 4 0.064 -7.406 3.456 1.00 0.00 N ATOM 49 CA PHE A 4 0.235 -6.756 2.122 1.00 0.00 C ATOM 50 C PHE A 4 1.434 -5.813 2.140 1.00 0.00 C ATOM 51 O PHE A 4 1.471 -4.860 2.893 1.00 0.00 O ATOM 52 CB PHE A 4 -1.058 -5.973 1.893 1.00 0.00 C ATOM 53 CG PHE A 4 -2.175 -6.945 1.619 1.00 0.00 C ATOM 54 CD1 PHE A 4 -2.182 -7.681 0.429 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.194 -7.123 2.559 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.209 -8.598 0.181 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.222 -8.035 2.309 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.229 -8.775 1.121 1.00 0.00 C ATOM 0 H PHE A 4 -0.528 -6.896 4.112 1.00 0.00 H new ATOM 0 HA PHE A 4 0.417 -7.484 1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.292 -5.367 2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.940 -5.288 1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.395 -7.541 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.187 -6.556 3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.214 -9.169 -0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.012 -8.169 3.033 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.022 -9.483 0.930 1.00 0.00 H new ATOM 68 N LYS A 5 2.410 -6.069 1.309 1.00 0.00 N ATOM 69 CA LYS A 5 3.610 -5.187 1.262 1.00 0.00 C ATOM 70 C LYS A 5 3.343 -4.011 0.322 1.00 0.00 C ATOM 71 O LYS A 5 2.360 -3.996 -0.394 1.00 0.00 O ATOM 72 CB LYS A 5 4.735 -6.068 0.718 1.00 0.00 C ATOM 73 CG LYS A 5 5.054 -7.175 1.725 1.00 0.00 C ATOM 74 CD LYS A 5 6.335 -7.897 1.300 1.00 0.00 C ATOM 75 CE LYS A 5 5.976 -9.122 0.457 1.00 0.00 C ATOM 76 NZ LYS A 5 7.163 -10.017 0.555 1.00 0.00 N ATOM 0 H LYS A 5 2.426 -6.855 0.659 1.00 0.00 H new ATOM 0 HA LYS A 5 3.864 -4.772 2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.439 -6.505 -0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.624 -5.466 0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.176 -6.751 2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.226 -7.882 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.972 -7.223 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.902 -8.201 2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.079 -9.613 0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.775 -8.844 -0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.993 -10.881 0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.000 -9.526 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.326 -10.270 1.551 1.00 0.00 H new ATOM 90 N LEU A 6 4.208 -3.028 0.316 1.00 0.00 N ATOM 91 CA LEU A 6 3.998 -1.859 -0.584 1.00 0.00 C ATOM 92 C LEU A 6 5.344 -1.292 -1.025 1.00 0.00 C ATOM 93 O LEU A 6 6.063 -0.705 -0.242 1.00 0.00 O ATOM 94 CB LEU A 6 3.227 -0.834 0.260 1.00 0.00 C ATOM 95 CG LEU A 6 2.992 0.455 -0.547 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.581 0.445 -1.144 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.154 1.674 0.371 1.00 0.00 C ATOM 0 H LEU A 6 5.047 -2.987 0.894 1.00 0.00 H new ATOM 0 HA LEU A 6 3.453 -2.126 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.271 -1.255 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.786 -0.606 1.167 1.00 0.00 H new ATOM 0 HG LEU A 6 3.722 0.510 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.421 1.360 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.471 -0.417 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.847 0.385 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.987 2.586 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.428 1.618 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.162 1.686 0.786 1.00 0.00 H new ATOM 109 N ILE A 7 5.671 -1.440 -2.281 1.00 0.00 N ATOM 110 CA ILE A 7 6.952 -0.885 -2.793 1.00 0.00 C ATOM 111 C ILE A 7 6.689 0.532 -3.294 1.00 0.00 C ATOM 112 O ILE A 7 5.883 0.736 -4.188 1.00 0.00 O ATOM 113 CB ILE A 7 7.363 -1.803 -3.946 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.572 -3.224 -3.418 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.667 -1.296 -4.569 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.660 -4.199 -4.593 1.00 0.00 C ATOM 0 H ILE A 7 5.102 -1.924 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 7 7.736 -0.839 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 7 6.577 -1.806 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.484 -3.272 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.748 -3.504 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.957 -1.952 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.520 -0.284 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.453 -1.290 -3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.809 -5.211 -4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.736 -4.159 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.498 -3.923 -5.233 1.00 0.00 H new ATOM 128 N ILE A 8 7.335 1.514 -2.719 1.00 0.00 N ATOM 129 CA ILE A 8 7.083 2.907 -3.175 1.00 0.00 C ATOM 130 C ILE A 8 8.118 3.265 -4.251 1.00 0.00 C ATOM 131 O ILE A 8 9.309 3.220 -4.009 1.00 0.00 O ATOM 132 CB ILE A 8 7.222 3.845 -1.954 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.180 3.539 -0.867 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.966 5.276 -2.426 1.00 0.00 C ATOM 135 CD1 ILE A 8 6.423 2.176 -0.241 1.00 0.00 C ATOM 0 H ILE A 8 8.015 1.412 -1.966 1.00 0.00 H new ATOM 0 HA ILE A 8 6.084 3.011 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 8 8.219 3.706 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.218 4.308 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.180 3.571 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.058 5.959 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.696 5.543 -3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.961 5.347 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.670 1.988 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.359 1.406 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.414 2.155 0.212 1.00 0.00 H new ATOM 147 N ASN A 9 7.676 3.610 -5.433 1.00 0.00 N ATOM 148 CA ASN A 9 8.641 3.960 -6.520 1.00 0.00 C ATOM 149 C ASN A 9 8.843 5.477 -6.592 1.00 0.00 C ATOM 150 O ASN A 9 8.051 6.243 -6.076 1.00 0.00 O ATOM 151 CB ASN A 9 7.993 3.438 -7.802 1.00 0.00 C ATOM 152 CG ASN A 9 8.927 3.685 -8.988 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.979 3.082 -9.083 1.00 0.00 O ATOM 154 ND2 ASN A 9 8.587 4.552 -9.901 1.00 0.00 N ATOM 0 H ASN A 9 6.691 3.665 -5.693 1.00 0.00 H new ATOM 0 HA ASN A 9 9.626 3.524 -6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.783 2.373 -7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.038 3.937 -7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.203 4.725 -10.695 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.705 5.057 -9.821 1.00 0.00 H new ATOM 161 N GLY A 10 9.901 5.911 -7.230 1.00 0.00 N ATOM 162 CA GLY A 10 10.171 7.376 -7.343 1.00 0.00 C ATOM 163 C GLY A 10 11.064 7.821 -6.183 1.00 0.00 C ATOM 164 O GLY A 10 11.617 7.008 -5.467 1.00 0.00 O ATOM 0 H GLY A 10 10.592 5.310 -7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.656 7.595 -8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.233 7.932 -7.328 1.00 0.00 H new ATOM 168 N LYS A 11 11.204 9.110 -5.991 1.00 0.00 N ATOM 169 CA LYS A 11 12.057 9.618 -4.872 1.00 0.00 C ATOM 170 C LYS A 11 11.270 9.646 -3.548 1.00 0.00 C ATOM 171 O LYS A 11 11.763 10.120 -2.541 1.00 0.00 O ATOM 172 CB LYS A 11 12.466 11.036 -5.291 1.00 0.00 C ATOM 173 CG LYS A 11 11.220 11.920 -5.473 1.00 0.00 C ATOM 174 CD LYS A 11 11.184 12.485 -6.897 1.00 0.00 C ATOM 175 CE LYS A 11 12.283 13.538 -7.059 1.00 0.00 C ATOM 176 NZ LYS A 11 12.361 13.789 -8.525 1.00 0.00 N ATOM 0 H LYS A 11 10.764 9.832 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 11 12.922 8.978 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.121 11.471 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.032 10.998 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.319 11.337 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.233 12.735 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.325 11.683 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.209 12.928 -7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.039 14.450 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.235 13.179 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.094 14.501 -8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.601 12.904 -9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.442 14.137 -8.867 1.00 0.00 H new ATOM 190 N THR A 12 10.057 9.141 -3.539 1.00 0.00 N ATOM 191 CA THR A 12 9.245 9.136 -2.282 1.00 0.00 C ATOM 192 C THR A 12 9.966 8.336 -1.192 1.00 0.00 C ATOM 193 O THR A 12 11.145 8.056 -1.297 1.00 0.00 O ATOM 194 CB THR A 12 7.909 8.464 -2.649 1.00 0.00 C ATOM 195 OG1 THR A 12 8.065 7.649 -3.806 1.00 0.00 O ATOM 196 CG2 THR A 12 6.854 9.537 -2.921 1.00 0.00 C ATOM 0 H THR A 12 9.595 8.732 -4.351 1.00 0.00 H new ATOM 0 HA THR A 12 9.092 10.143 -1.895 1.00 0.00 H new ATOM 0 HB THR A 12 7.591 7.837 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.183 7.395 -4.149 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.909 9.060 -3.181 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.719 10.149 -2.029 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.181 10.168 -3.747 1.00 0.00 H new ATOM 204 N LEU A 13 9.270 7.971 -0.140 1.00 0.00 N ATOM 205 CA LEU A 13 9.917 7.196 0.968 1.00 0.00 C ATOM 206 C LEU A 13 10.633 5.947 0.419 1.00 0.00 C ATOM 207 O LEU A 13 11.666 5.550 0.919 1.00 0.00 O ATOM 208 CB LEU A 13 8.770 6.833 1.933 1.00 0.00 C ATOM 209 CG LEU A 13 7.817 5.809 1.310 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.347 4.384 1.544 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.439 5.960 1.963 1.00 0.00 C ATOM 0 H LEU A 13 8.281 8.177 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 13 10.689 7.771 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.184 6.431 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.216 7.734 2.197 1.00 0.00 H new ATOM 0 HG LEU A 13 7.743 5.982 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.662 3.663 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.331 4.282 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.424 4.196 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.749 5.236 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.523 5.783 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.063 6.968 1.790 1.00 0.00 H new ATOM 223 N LYS A 14 10.099 5.344 -0.618 1.00 0.00 N ATOM 224 CA LYS A 14 10.747 4.132 -1.229 1.00 0.00 C ATOM 225 C LYS A 14 11.037 3.055 -0.173 1.00 0.00 C ATOM 226 O LYS A 14 12.006 3.136 0.557 1.00 0.00 O ATOM 227 CB LYS A 14 12.054 4.642 -1.846 1.00 0.00 C ATOM 228 CG LYS A 14 11.832 4.989 -3.325 1.00 0.00 C ATOM 229 CD LYS A 14 12.471 3.915 -4.213 1.00 0.00 C ATOM 230 CE LYS A 14 12.922 4.546 -5.533 1.00 0.00 C ATOM 231 NZ LYS A 14 13.971 3.629 -6.061 1.00 0.00 N ATOM 0 H LYS A 14 9.235 5.640 -1.072 1.00 0.00 H new ATOM 0 HA LYS A 14 10.095 3.665 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.403 5.522 -1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.831 3.883 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.765 5.060 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.266 5.964 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.323 3.466 -3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.756 3.115 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.090 4.637 -6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.318 5.549 -5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.329 3.996 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.753 3.567 -5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.564 2.683 -6.208 1.00 0.00 H new ATOM 245 N GLY A 15 10.210 2.038 -0.100 1.00 0.00 N ATOM 246 CA GLY A 15 10.445 0.951 0.897 1.00 0.00 C ATOM 247 C GLY A 15 9.246 -0.002 0.932 1.00 0.00 C ATOM 248 O GLY A 15 8.406 0.007 0.053 1.00 0.00 O ATOM 0 H GLY A 15 9.385 1.916 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.349 0.400 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.605 1.382 1.885 1.00 0.00 H new ATOM 252 N GLU A 16 9.177 -0.829 1.944 1.00 0.00 N ATOM 253 CA GLU A 16 8.053 -1.804 2.073 1.00 0.00 C ATOM 254 C GLU A 16 7.753 -2.040 3.560 1.00 0.00 C ATOM 255 O GLU A 16 8.148 -3.040 4.129 1.00 0.00 O ATOM 256 CB GLU A 16 8.584 -3.079 1.426 1.00 0.00 C ATOM 257 CG GLU A 16 8.081 -3.173 -0.016 1.00 0.00 C ATOM 258 CD GLU A 16 8.597 -4.463 -0.655 1.00 0.00 C ATOM 259 OE1 GLU A 16 7.927 -5.475 -0.523 1.00 0.00 O ATOM 260 OE2 GLU A 16 9.653 -4.420 -1.264 1.00 0.00 O ATOM 0 H GLU A 16 9.863 -0.870 2.698 1.00 0.00 H new ATOM 0 HA GLU A 16 7.130 -1.461 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.674 -3.080 1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.256 -3.950 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.991 -3.157 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.422 -2.310 -0.588 1.00 0.00 H new ATOM 267 N ILE A 17 7.073 -1.117 4.193 1.00 0.00 N ATOM 268 CA ILE A 17 6.760 -1.271 5.652 1.00 0.00 C ATOM 269 C ILE A 17 5.978 -2.564 5.916 1.00 0.00 C ATOM 270 O ILE A 17 6.035 -3.107 6.998 1.00 0.00 O ATOM 271 CB ILE A 17 5.918 -0.043 6.020 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.649 -0.005 5.163 1.00 0.00 C ATOM 273 CG2 ILE A 17 6.731 1.229 5.773 1.00 0.00 C ATOM 274 CD1 ILE A 17 3.676 1.027 5.736 1.00 0.00 C ATOM 0 H ILE A 17 6.720 -0.262 3.764 1.00 0.00 H new ATOM 0 HA ILE A 17 7.668 -1.336 6.251 1.00 0.00 H new ATOM 0 HB ILE A 17 5.642 -0.104 7.073 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.900 0.249 4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.181 -0.989 5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.131 2.101 6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.631 1.210 6.387 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.010 1.284 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.773 1.054 5.126 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.415 0.753 6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.145 2.011 5.733 1.00 0.00 H new ATOM 286 N THR A 18 5.255 -3.046 4.934 1.00 0.00 N ATOM 287 CA THR A 18 4.446 -4.311 5.091 1.00 0.00 C ATOM 288 C THR A 18 3.403 -4.161 6.206 1.00 0.00 C ATOM 289 O THR A 18 3.712 -3.775 7.318 1.00 0.00 O ATOM 290 CB THR A 18 5.425 -5.468 5.415 1.00 0.00 C ATOM 291 OG1 THR A 18 5.720 -5.486 6.803 1.00 0.00 O ATOM 292 CG2 THR A 18 6.727 -5.333 4.614 1.00 0.00 C ATOM 0 H THR A 18 5.186 -2.614 4.013 1.00 0.00 H new ATOM 0 HA THR A 18 3.905 -4.521 4.168 1.00 0.00 H new ATOM 0 HB THR A 18 4.942 -6.404 5.134 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.429 -4.643 7.210 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.394 -6.159 4.862 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.502 -5.356 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.211 -4.388 4.862 1.00 0.00 H new ATOM 300 N ILE A 19 2.164 -4.471 5.910 1.00 0.00 N ATOM 301 CA ILE A 19 1.089 -4.356 6.946 1.00 0.00 C ATOM 302 C ILE A 19 0.016 -5.432 6.740 1.00 0.00 C ATOM 303 O ILE A 19 -0.160 -5.947 5.653 1.00 0.00 O ATOM 304 CB ILE A 19 0.489 -2.956 6.759 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.062 -2.803 5.333 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.572 -1.903 7.002 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.574 -3.046 5.332 1.00 0.00 C ATOM 0 H ILE A 19 1.850 -4.799 4.996 1.00 0.00 H new ATOM 0 HA ILE A 19 1.484 -4.498 7.952 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.325 -2.819 7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.155 -1.804 4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.430 -3.511 4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.148 -0.908 6.870 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.955 -2.002 8.018 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.386 -2.048 6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.959 -2.936 4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.781 -4.054 5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.059 -2.321 5.985 1.00 0.00 H new ATOM 319 N GLU A 20 -0.707 -5.761 7.781 1.00 0.00 N ATOM 320 CA GLU A 20 -1.782 -6.791 7.664 1.00 0.00 C ATOM 321 C GLU A 20 -3.145 -6.103 7.547 1.00 0.00 C ATOM 322 O GLU A 20 -3.296 -4.953 7.915 1.00 0.00 O ATOM 323 CB GLU A 20 -1.701 -7.597 8.962 1.00 0.00 C ATOM 324 CG GLU A 20 -0.755 -8.784 8.771 1.00 0.00 C ATOM 325 CD GLU A 20 -0.812 -9.684 10.007 1.00 0.00 C ATOM 326 OE1 GLU A 20 -0.830 -9.150 11.104 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.838 -10.891 9.836 1.00 0.00 O ATOM 0 H GLU A 20 -0.597 -5.358 8.711 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.661 -7.424 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.346 -6.963 9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.692 -7.951 9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.038 -9.349 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.263 -8.430 8.612 1.00 0.00 H new ATOM 334 N ALA A 21 -4.136 -6.793 7.037 1.00 0.00 N ATOM 335 CA ALA A 21 -5.490 -6.170 6.898 1.00 0.00 C ATOM 336 C ALA A 21 -6.533 -7.226 6.521 1.00 0.00 C ATOM 337 O ALA A 21 -6.206 -8.343 6.170 1.00 0.00 O ATOM 338 CB ALA A 21 -5.343 -5.144 5.773 1.00 0.00 C ATOM 0 H ALA A 21 -4.067 -7.757 6.712 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.825 -5.714 7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.297 -4.643 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.589 -4.407 6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.038 -5.650 4.857 1.00 0.00 H new ATOM 344 N VAL A 22 -7.791 -6.869 6.594 1.00 0.00 N ATOM 345 CA VAL A 22 -8.883 -7.831 6.245 1.00 0.00 C ATOM 346 C VAL A 22 -8.667 -8.410 4.837 1.00 0.00 C ATOM 347 O VAL A 22 -8.883 -9.582 4.598 1.00 0.00 O ATOM 348 CB VAL A 22 -10.177 -7.002 6.302 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.102 -5.841 5.302 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.376 -7.891 5.958 1.00 0.00 C ATOM 0 H VAL A 22 -8.111 -5.945 6.883 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.913 -8.681 6.926 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.296 -6.602 7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.023 -5.260 5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.255 -5.201 5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.974 -6.236 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.291 -7.300 5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.252 -8.297 4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.440 -8.709 6.675 1.00 0.00 H new ATOM 360 N ASP A 23 -8.238 -7.589 3.915 1.00 0.00 N ATOM 361 CA ASP A 23 -7.998 -8.067 2.523 1.00 0.00 C ATOM 362 C ASP A 23 -7.026 -7.116 1.827 1.00 0.00 C ATOM 363 O ASP A 23 -6.616 -6.122 2.399 1.00 0.00 O ATOM 364 CB ASP A 23 -9.369 -8.033 1.846 1.00 0.00 C ATOM 365 CG ASP A 23 -10.094 -9.357 2.091 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.868 -10.283 1.330 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.862 -9.422 3.037 1.00 0.00 O ATOM 0 H ASP A 23 -8.042 -6.600 4.069 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.562 -9.066 2.487 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.959 -7.205 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.253 -7.863 0.776 1.00 0.00 H new ATOM 372 N ALA A 24 -6.651 -7.407 0.607 1.00 0.00 N ATOM 373 CA ALA A 24 -5.698 -6.503 -0.105 1.00 0.00 C ATOM 374 C ALA A 24 -6.352 -5.139 -0.317 1.00 0.00 C ATOM 375 O ALA A 24 -5.701 -4.112 -0.265 1.00 0.00 O ATOM 376 CB ALA A 24 -5.398 -7.175 -1.444 1.00 0.00 C ATOM 0 H ALA A 24 -6.960 -8.223 0.078 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.781 -6.343 0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.703 -6.558 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.953 -8.155 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.324 -7.293 -2.008 1.00 0.00 H new ATOM 382 N ALA A 25 -7.644 -5.122 -0.544 1.00 0.00 N ATOM 383 CA ALA A 25 -8.362 -3.827 -0.748 1.00 0.00 C ATOM 384 C ALA A 25 -8.094 -2.889 0.433 1.00 0.00 C ATOM 385 O ALA A 25 -7.669 -1.763 0.259 1.00 0.00 O ATOM 386 CB ALA A 25 -9.847 -4.191 -0.817 1.00 0.00 C ATOM 0 H ALA A 25 -8.233 -5.953 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.032 -3.312 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.437 -3.287 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.016 -4.875 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.148 -4.671 0.114 1.00 0.00 H new ATOM 392 N GLU A 26 -8.320 -3.360 1.634 1.00 0.00 N ATOM 393 CA GLU A 26 -8.062 -2.509 2.839 1.00 0.00 C ATOM 394 C GLU A 26 -6.590 -2.096 2.863 1.00 0.00 C ATOM 395 O GLU A 26 -6.261 -0.955 3.130 1.00 0.00 O ATOM 396 CB GLU A 26 -8.399 -3.394 4.044 1.00 0.00 C ATOM 397 CG GLU A 26 -9.260 -2.608 5.038 1.00 0.00 C ATOM 398 CD GLU A 26 -8.370 -2.020 6.136 1.00 0.00 C ATOM 399 OE1 GLU A 26 -7.750 -2.796 6.846 1.00 0.00 O ATOM 400 OE2 GLU A 26 -8.326 -0.807 6.249 1.00 0.00 O ATOM 0 H GLU A 26 -8.672 -4.296 1.833 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.657 -1.596 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.931 -4.287 3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.482 -3.730 4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.793 -1.810 4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.014 -3.261 5.478 1.00 0.00 H new ATOM 407 N ALA A 27 -5.701 -3.015 2.566 1.00 0.00 N ATOM 408 CA ALA A 27 -4.240 -2.674 2.547 1.00 0.00 C ATOM 409 C ALA A 27 -4.000 -1.475 1.626 1.00 0.00 C ATOM 410 O ALA A 27 -3.258 -0.568 1.954 1.00 0.00 O ATOM 411 CB ALA A 27 -3.529 -3.910 1.994 1.00 0.00 C ATOM 0 H ALA A 27 -5.922 -3.984 2.336 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.873 -2.411 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.456 -3.725 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.727 -4.764 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.898 -4.123 0.991 1.00 0.00 H new ATOM 417 N GLU A 28 -4.642 -1.458 0.479 1.00 0.00 N ATOM 418 CA GLU A 28 -4.467 -0.309 -0.461 1.00 0.00 C ATOM 419 C GLU A 28 -4.887 0.986 0.238 1.00 0.00 C ATOM 420 O GLU A 28 -4.185 1.970 0.183 1.00 0.00 O ATOM 421 CB GLU A 28 -5.371 -0.607 -1.660 1.00 0.00 C ATOM 422 CG GLU A 28 -4.814 0.098 -2.905 1.00 0.00 C ATOM 423 CD GLU A 28 -5.918 0.220 -3.957 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.945 0.799 -3.645 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.717 -0.268 -5.057 1.00 0.00 O ATOM 0 H GLU A 28 -5.277 -2.189 0.157 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.432 -0.186 -0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.425 -1.682 -1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.386 -0.265 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.439 1.086 -2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.972 -0.465 -3.309 1.00 0.00 H new ATOM 432 N LYS A 29 -6.014 0.988 0.916 1.00 0.00 N ATOM 433 CA LYS A 29 -6.448 2.221 1.639 1.00 0.00 C ATOM 434 C LYS A 29 -5.411 2.583 2.709 1.00 0.00 C ATOM 435 O LYS A 29 -4.932 3.703 2.779 1.00 0.00 O ATOM 436 CB LYS A 29 -7.784 1.861 2.284 1.00 0.00 C ATOM 437 CG LYS A 29 -8.903 2.017 1.252 1.00 0.00 C ATOM 438 CD LYS A 29 -9.294 0.647 0.683 1.00 0.00 C ATOM 439 CE LYS A 29 -8.837 0.552 -0.776 1.00 0.00 C ATOM 440 NZ LYS A 29 -9.834 1.353 -1.539 1.00 0.00 N ATOM 0 H LYS A 29 -6.646 0.192 0.997 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.544 3.081 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.757 0.837 2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.972 2.507 3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.771 2.488 1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.575 2.674 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.836 -0.148 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.373 0.509 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.830 0.950 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.816 -0.483 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.377 0.725 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.482 1.824 -0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.341 2.069 -2.109 1.00 0.00 H new ATOM 454 N ILE A 30 -5.043 1.628 3.533 1.00 0.00 N ATOM 455 CA ILE A 30 -4.018 1.892 4.596 1.00 0.00 C ATOM 456 C ILE A 30 -2.735 2.418 3.941 1.00 0.00 C ATOM 457 O ILE A 30 -2.155 3.393 4.378 1.00 0.00 O ATOM 458 CB ILE A 30 -3.768 0.533 5.269 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.055 0.047 5.945 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.669 0.670 6.328 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.851 -1.376 6.478 1.00 0.00 C ATOM 0 H ILE A 30 -5.409 0.676 3.515 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.346 2.637 5.321 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.456 -0.185 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.324 0.717 6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.880 0.065 5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.497 -0.297 6.801 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.748 1.011 5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.979 1.393 7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.767 -1.719 6.958 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.603 -2.042 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.038 -1.380 7.204 1.00 0.00 H new ATOM 473 N PHE A 31 -2.313 1.780 2.882 1.00 0.00 N ATOM 474 CA PHE A 31 -1.087 2.236 2.166 1.00 0.00 C ATOM 475 C PHE A 31 -1.376 3.574 1.485 1.00 0.00 C ATOM 476 O PHE A 31 -0.521 4.431 1.376 1.00 0.00 O ATOM 477 CB PHE A 31 -0.806 1.150 1.124 1.00 0.00 C ATOM 478 CG PHE A 31 0.007 0.044 1.751 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.215 0.345 2.387 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.447 -1.280 1.697 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.972 -0.676 2.969 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.312 -2.303 2.281 1.00 0.00 C ATOM 483 CZ PHE A 31 1.522 -1.999 2.916 1.00 0.00 C ATOM 0 H PHE A 31 -2.767 0.959 2.481 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.235 2.380 2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.744 0.751 0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.268 1.575 0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.563 1.366 2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.381 -1.512 1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.905 -0.443 3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.036 -3.325 2.241 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.108 -2.787 3.365 1.00 0.00 H new ATOM 493 N LYS A 32 -2.589 3.748 1.030 1.00 0.00 N ATOM 494 CA LYS A 32 -2.981 5.016 0.353 1.00 0.00 C ATOM 495 C LYS A 32 -3.135 6.164 1.363 1.00 0.00 C ATOM 496 O LYS A 32 -3.331 7.302 0.982 1.00 0.00 O ATOM 497 CB LYS A 32 -4.315 4.716 -0.328 1.00 0.00 C ATOM 498 CG LYS A 32 -4.058 3.985 -1.651 1.00 0.00 C ATOM 499 CD LYS A 32 -4.076 4.991 -2.806 1.00 0.00 C ATOM 500 CE LYS A 32 -5.521 5.234 -3.252 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.617 6.706 -3.463 1.00 0.00 N ATOM 0 H LYS A 32 -3.334 3.055 1.101 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.221 5.337 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.939 4.104 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.859 5.643 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.096 3.475 -1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.819 3.220 -1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.619 5.929 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.486 4.613 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.748 4.688 -4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.230 4.897 -2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.580 6.951 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.402 7.199 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.936 6.997 -4.193 1.00 0.00 H new ATOM 515 N GLN A 33 -2.999 5.888 2.640 1.00 0.00 N ATOM 516 CA GLN A 33 -3.084 6.981 3.661 1.00 0.00 C ATOM 517 C GLN A 33 -1.663 7.185 4.147 1.00 0.00 C ATOM 518 O GLN A 33 -1.138 8.280 4.208 1.00 0.00 O ATOM 519 CB GLN A 33 -3.982 6.441 4.776 1.00 0.00 C ATOM 520 CG GLN A 33 -4.078 7.474 5.900 1.00 0.00 C ATOM 521 CD GLN A 33 -4.682 6.822 7.145 1.00 0.00 C ATOM 522 OE1 GLN A 33 -4.442 5.662 7.415 1.00 0.00 O ATOM 523 NE2 GLN A 33 -5.462 7.524 7.921 1.00 0.00 N ATOM 0 H GLN A 33 -2.833 4.955 3.018 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.489 7.924 3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.975 6.222 4.384 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.578 5.505 5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.089 7.871 6.128 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.694 8.316 5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.664 8.498 7.695 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.870 7.099 8.754 1.00 0.00 H new ATOM 532 N TYR A 34 -1.023 6.082 4.410 1.00 0.00 N ATOM 533 CA TYR A 34 0.408 6.062 4.814 1.00 0.00 C ATOM 534 C TYR A 34 1.225 6.889 3.796 1.00 0.00 C ATOM 535 O TYR A 34 2.209 7.522 4.129 1.00 0.00 O ATOM 536 CB TYR A 34 0.713 4.553 4.729 1.00 0.00 C ATOM 537 CG TYR A 34 2.189 4.276 4.517 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.089 4.419 5.580 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.651 3.872 3.258 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.450 4.158 5.385 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.013 3.613 3.063 1.00 0.00 C ATOM 542 CZ TYR A 34 4.912 3.755 4.127 1.00 0.00 C ATOM 543 OH TYR A 34 6.254 3.495 3.935 1.00 0.00 O ATOM 0 H TYR A 34 -1.452 5.158 4.359 1.00 0.00 H new ATOM 0 HA TYR A 34 0.641 6.488 5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.382 4.065 5.646 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.142 4.115 3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.733 4.731 6.551 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.957 3.760 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.144 4.268 6.205 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.370 3.304 2.092 1.00 0.00 H new ATOM 0 HH TYR A 34 6.405 3.226 3.005 1.00 0.00 H new ATOM 553 N ALA A 35 0.787 6.891 2.561 1.00 0.00 N ATOM 554 CA ALA A 35 1.481 7.677 1.499 1.00 0.00 C ATOM 555 C ALA A 35 1.348 9.167 1.821 1.00 0.00 C ATOM 556 O ALA A 35 2.315 9.855 2.084 1.00 0.00 O ATOM 557 CB ALA A 35 0.719 7.363 0.206 1.00 0.00 C ATOM 0 H ALA A 35 -0.032 6.374 2.242 1.00 0.00 H new ATOM 0 HA ALA A 35 2.540 7.432 1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.171 7.906 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.765 6.292 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.322 7.667 0.314 1.00 0.00 H new ATOM 563 N ASN A 36 0.135 9.658 1.795 1.00 0.00 N ATOM 564 CA ASN A 36 -0.122 11.104 2.093 1.00 0.00 C ATOM 565 C ASN A 36 0.471 11.489 3.449 1.00 0.00 C ATOM 566 O ASN A 36 1.035 12.555 3.608 1.00 0.00 O ATOM 567 CB ASN A 36 -1.644 11.229 2.132 1.00 0.00 C ATOM 568 CG ASN A 36 -2.213 11.014 0.729 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.262 11.931 -0.067 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.647 9.831 0.389 1.00 0.00 N ATOM 0 H ASN A 36 -0.700 9.113 1.578 1.00 0.00 H new ATOM 0 HA ASN A 36 0.333 11.761 1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.062 10.495 2.821 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.929 12.213 2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.027 9.676 -0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.606 9.061 1.057 1.00 0.00 H new ATOM 577 N ASP A 37 0.345 10.624 4.425 1.00 0.00 N ATOM 578 CA ASP A 37 0.898 10.923 5.789 1.00 0.00 C ATOM 579 C ASP A 37 2.354 11.390 5.699 1.00 0.00 C ATOM 580 O ASP A 37 2.835 12.128 6.537 1.00 0.00 O ATOM 581 CB ASP A 37 0.805 9.603 6.558 1.00 0.00 C ATOM 582 CG ASP A 37 0.795 9.887 8.061 1.00 0.00 C ATOM 583 OD1 ASP A 37 1.867 10.037 8.623 1.00 0.00 O ATOM 584 OD2 ASP A 37 -0.285 9.949 8.624 1.00 0.00 O ATOM 0 H ASP A 37 -0.118 9.719 4.338 1.00 0.00 H new ATOM 0 HA ASP A 37 0.346 11.724 6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.100 9.067 6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.649 8.962 6.304 1.00 0.00 H new ATOM 589 N ASN A 38 3.043 10.966 4.679 1.00 0.00 N ATOM 590 CA ASN A 38 4.458 11.373 4.499 1.00 0.00 C ATOM 591 C ASN A 38 4.577 12.379 3.347 1.00 0.00 C ATOM 592 O ASN A 38 5.206 13.412 3.471 1.00 0.00 O ATOM 593 CB ASN A 38 5.207 10.082 4.167 1.00 0.00 C ATOM 594 CG ASN A 38 5.640 9.394 5.462 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.420 9.935 6.221 1.00 0.00 O ATOM 596 ND2 ASN A 38 5.164 8.213 5.750 1.00 0.00 N ATOM 0 H ASN A 38 2.679 10.347 3.954 1.00 0.00 H new ATOM 0 HA ASN A 38 4.863 11.858 5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.567 9.417 3.586 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.079 10.303 3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.447 7.745 6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.509 7.758 5.114 1.00 0.00 H new ATOM 603 N GLY A 39 3.982 12.067 2.227 1.00 0.00 N ATOM 604 CA GLY A 39 4.048 12.972 1.045 1.00 0.00 C ATOM 605 C GLY A 39 4.264 12.106 -0.190 1.00 0.00 C ATOM 606 O GLY A 39 5.284 12.181 -0.849 1.00 0.00 O ATOM 0 H GLY A 39 3.446 11.212 2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.127 13.548 0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.862 13.688 1.157 1.00 0.00 H new ATOM 610 N ILE A 40 3.324 11.245 -0.472 1.00 0.00 N ATOM 611 CA ILE A 40 3.462 10.312 -1.620 1.00 0.00 C ATOM 612 C ILE A 40 2.324 10.556 -2.617 1.00 0.00 C ATOM 613 O ILE A 40 1.183 10.724 -2.227 1.00 0.00 O ATOM 614 CB ILE A 40 3.321 8.963 -0.928 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.468 8.805 0.125 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.285 7.821 -1.959 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.482 7.735 -0.266 1.00 0.00 C ATOM 0 H ILE A 40 2.455 11.150 0.054 1.00 0.00 H new ATOM 0 HA ILE A 40 4.384 10.410 -2.193 1.00 0.00 H new ATOM 0 HB ILE A 40 2.372 8.912 -0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.981 9.760 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.035 8.553 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.184 6.867 -1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.437 7.962 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.209 7.824 -2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.255 7.669 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.978 6.773 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.939 7.998 -1.220 1.00 0.00 H new ATOM 629 N ASP A 41 2.617 10.583 -3.895 1.00 0.00 N ATOM 630 CA ASP A 41 1.532 10.825 -4.901 1.00 0.00 C ATOM 631 C ASP A 41 2.022 10.570 -6.332 1.00 0.00 C ATOM 632 O ASP A 41 2.752 11.361 -6.898 1.00 0.00 O ATOM 633 CB ASP A 41 1.152 12.298 -4.730 1.00 0.00 C ATOM 634 CG ASP A 41 -0.191 12.562 -5.410 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.200 12.138 -4.871 1.00 0.00 O ATOM 636 OD2 ASP A 41 -0.189 13.185 -6.460 1.00 0.00 O ATOM 0 H ASP A 41 3.551 10.449 -4.283 1.00 0.00 H new ATOM 0 HA ASP A 41 0.689 10.152 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.090 12.548 -3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.922 12.936 -5.163 1.00 0.00 H new ATOM 641 N GLY A 42 1.606 9.478 -6.919 1.00 0.00 N ATOM 642 CA GLY A 42 2.015 9.158 -8.320 1.00 0.00 C ATOM 643 C GLY A 42 1.089 8.069 -8.874 1.00 0.00 C ATOM 644 O GLY A 42 -0.068 8.314 -9.154 1.00 0.00 O ATOM 0 H GLY A 42 0.994 8.787 -6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.959 10.052 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.051 8.818 -8.342 1.00 0.00 H new ATOM 648 N GLU A 43 1.590 6.867 -9.029 1.00 0.00 N ATOM 649 CA GLU A 43 0.734 5.755 -9.564 1.00 0.00 C ATOM 650 C GLU A 43 0.419 4.740 -8.454 1.00 0.00 C ATOM 651 O GLU A 43 0.861 4.886 -7.340 1.00 0.00 O ATOM 652 CB GLU A 43 1.575 5.101 -10.662 1.00 0.00 C ATOM 653 CG GLU A 43 0.676 4.719 -11.840 1.00 0.00 C ATOM 654 CD GLU A 43 1.459 4.862 -13.147 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.627 4.511 -13.156 1.00 0.00 O ATOM 656 OE2 GLU A 43 0.877 5.321 -14.116 1.00 0.00 O ATOM 0 H GLU A 43 2.551 6.606 -8.810 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.222 6.118 -9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.354 5.787 -10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.075 4.215 -10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.324 3.694 -11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.206 5.359 -11.860 1.00 0.00 H new ATOM 663 N TRP A 44 -0.342 3.716 -8.765 1.00 0.00 N ATOM 664 CA TRP A 44 -0.697 2.672 -7.743 1.00 0.00 C ATOM 665 C TRP A 44 -1.025 1.358 -8.448 1.00 0.00 C ATOM 666 O TRP A 44 -1.830 1.321 -9.361 1.00 0.00 O ATOM 667 CB TRP A 44 -1.948 3.193 -7.030 1.00 0.00 C ATOM 668 CG TRP A 44 -1.554 4.070 -5.895 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.406 5.414 -5.951 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.268 3.680 -4.529 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.027 5.870 -4.701 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.931 4.836 -3.790 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.264 2.439 -3.872 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.598 4.766 -2.440 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.931 2.364 -2.509 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.598 3.527 -1.796 1.00 0.00 C ATOM 0 H TRP A 44 -0.737 3.556 -9.692 1.00 0.00 H new ATOM 0 HA TRP A 44 0.122 2.493 -7.047 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.572 3.748 -7.730 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.544 2.357 -6.665 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.558 6.028 -6.826 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.841 6.848 -4.480 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.517 1.541 -4.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.342 5.663 -1.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.931 1.408 -2.007 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.342 3.463 -0.749 1.00 0.00 H new ATOM 687 N THR A 45 -0.414 0.278 -8.034 1.00 0.00 N ATOM 688 CA THR A 45 -0.697 -1.039 -8.684 1.00 0.00 C ATOM 689 C THR A 45 -0.633 -2.146 -7.644 1.00 0.00 C ATOM 690 O THR A 45 0.300 -2.219 -6.871 1.00 0.00 O ATOM 691 CB THR A 45 0.397 -1.261 -9.744 1.00 0.00 C ATOM 692 OG1 THR A 45 1.605 -1.659 -9.110 1.00 0.00 O ATOM 693 CG2 THR A 45 0.641 0.021 -10.536 1.00 0.00 C ATOM 0 H THR A 45 0.267 0.250 -7.276 1.00 0.00 H new ATOM 0 HA THR A 45 -1.689 -1.048 -9.137 1.00 0.00 H new ATOM 0 HB THR A 45 0.065 -2.042 -10.428 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.299 -1.801 -9.788 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.417 -0.154 -11.281 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.280 0.321 -11.035 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.960 0.812 -9.858 1.00 0.00 H new ATOM 701 N TYR A 46 -1.607 -3.011 -7.633 1.00 0.00 N ATOM 702 CA TYR A 46 -1.601 -4.130 -6.647 1.00 0.00 C ATOM 703 C TYR A 46 -1.024 -5.392 -7.303 1.00 0.00 C ATOM 704 O TYR A 46 -1.431 -5.783 -8.381 1.00 0.00 O ATOM 705 CB TYR A 46 -3.071 -4.334 -6.242 1.00 0.00 C ATOM 706 CG TYR A 46 -3.212 -5.627 -5.458 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.427 -5.843 -4.318 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.101 -6.618 -5.892 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.533 -7.050 -3.613 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.208 -7.821 -5.184 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.425 -8.036 -4.046 1.00 0.00 C ATOM 712 OH TYR A 46 -3.530 -9.225 -3.352 1.00 0.00 O ATOM 0 H TYR A 46 -2.408 -2.993 -8.264 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.984 -3.914 -5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.412 -3.493 -5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.702 -4.366 -7.130 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.740 -5.080 -3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.704 -6.454 -6.773 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.926 -7.218 -2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.896 -8.584 -5.517 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.196 -9.799 -3.785 1.00 0.00 H new ATOM 722 N ASP A 47 -0.098 -6.036 -6.644 1.00 0.00 N ATOM 723 CA ASP A 47 0.489 -7.286 -7.202 1.00 0.00 C ATOM 724 C ASP A 47 -0.170 -8.490 -6.526 1.00 0.00 C ATOM 725 O ASP A 47 0.177 -8.858 -5.419 1.00 0.00 O ATOM 726 CB ASP A 47 1.980 -7.220 -6.869 1.00 0.00 C ATOM 727 CG ASP A 47 2.621 -6.048 -7.617 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.185 -5.764 -8.721 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.539 -5.455 -7.074 1.00 0.00 O ATOM 0 H ASP A 47 0.277 -5.748 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 47 0.333 -7.385 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.118 -7.098 -5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.467 -8.154 -7.149 1.00 0.00 H new ATOM 734 N ASP A 48 -1.127 -9.097 -7.185 1.00 0.00 N ATOM 735 CA ASP A 48 -1.836 -10.275 -6.589 1.00 0.00 C ATOM 736 C ASP A 48 -0.934 -11.520 -6.536 1.00 0.00 C ATOM 737 O ASP A 48 -1.331 -12.550 -6.024 1.00 0.00 O ATOM 738 CB ASP A 48 -3.033 -10.527 -7.510 1.00 0.00 C ATOM 739 CG ASP A 48 -3.898 -11.646 -6.928 1.00 0.00 C ATOM 740 OD1 ASP A 48 -4.615 -11.381 -5.977 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.829 -12.750 -7.443 1.00 0.00 O ATOM 0 H ASP A 48 -1.450 -8.827 -8.114 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.132 -10.075 -5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.622 -9.616 -7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.687 -10.801 -8.507 1.00 0.00 H new ATOM 746 N ALA A 49 0.270 -11.436 -7.044 1.00 0.00 N ATOM 747 CA ALA A 49 1.188 -12.610 -7.007 1.00 0.00 C ATOM 748 C ALA A 49 1.984 -12.589 -5.702 1.00 0.00 C ATOM 749 O ALA A 49 2.379 -13.618 -5.188 1.00 0.00 O ATOM 750 CB ALA A 49 2.116 -12.432 -8.210 1.00 0.00 C ATOM 0 H ALA A 49 0.656 -10.601 -7.484 1.00 0.00 H new ATOM 0 HA ALA A 49 0.658 -13.561 -7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.823 -13.261 -8.250 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.525 -12.415 -9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.662 -11.494 -8.113 1.00 0.00 H new ATOM 756 N THR A 50 2.206 -11.418 -5.160 1.00 0.00 N ATOM 757 CA THR A 50 2.960 -11.310 -3.880 1.00 0.00 C ATOM 758 C THR A 50 2.265 -10.312 -2.948 1.00 0.00 C ATOM 759 O THR A 50 2.834 -9.872 -1.968 1.00 0.00 O ATOM 760 CB THR A 50 4.345 -10.798 -4.275 1.00 0.00 C ATOM 761 OG1 THR A 50 4.217 -9.543 -4.926 1.00 0.00 O ATOM 762 CG2 THR A 50 5.006 -11.801 -5.218 1.00 0.00 C ATOM 0 H THR A 50 1.895 -10.530 -5.553 1.00 0.00 H new ATOM 0 HA THR A 50 3.016 -12.261 -3.350 1.00 0.00 H new ATOM 0 HB THR A 50 4.960 -10.680 -3.383 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.283 -8.823 -4.264 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.994 -11.438 -5.501 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.103 -12.763 -4.715 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.393 -11.919 -6.112 1.00 0.00 H new ATOM 770 N LYS A 51 1.028 -9.956 -3.240 1.00 0.00 N ATOM 771 CA LYS A 51 0.282 -8.996 -2.377 1.00 0.00 C ATOM 772 C LYS A 51 1.116 -7.751 -2.069 1.00 0.00 C ATOM 773 O LYS A 51 1.143 -7.262 -0.956 1.00 0.00 O ATOM 774 CB LYS A 51 -0.040 -9.795 -1.123 1.00 0.00 C ATOM 775 CG LYS A 51 -1.263 -10.651 -1.430 1.00 0.00 C ATOM 776 CD LYS A 51 -0.853 -11.848 -2.285 1.00 0.00 C ATOM 777 CE LYS A 51 -1.660 -13.081 -1.869 1.00 0.00 C ATOM 778 NZ LYS A 51 -1.679 -13.956 -3.075 1.00 0.00 N ATOM 0 H LYS A 51 0.507 -10.297 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.617 -8.613 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.806 -10.421 -0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.239 -9.129 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.720 -10.994 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.012 -10.057 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.023 -11.629 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.213 -12.043 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.198 -13.587 -1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.670 -12.807 -1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.215 -14.823 -2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.131 -13.450 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.704 -14.207 -3.337 1.00 0.00 H new ATOM 792 N THR A 52 1.785 -7.235 -3.065 1.00 0.00 N ATOM 793 CA THR A 52 2.617 -6.013 -2.865 1.00 0.00 C ATOM 794 C THR A 52 2.134 -4.896 -3.796 1.00 0.00 C ATOM 795 O THR A 52 2.233 -5.001 -5.004 1.00 0.00 O ATOM 796 CB THR A 52 4.043 -6.435 -3.226 1.00 0.00 C ATOM 797 OG1 THR A 52 4.379 -7.617 -2.512 1.00 0.00 O ATOM 798 CG2 THR A 52 5.016 -5.317 -2.853 1.00 0.00 C ATOM 0 H THR A 52 1.791 -7.610 -4.014 1.00 0.00 H new ATOM 0 HA THR A 52 2.556 -5.632 -1.846 1.00 0.00 H new ATOM 0 HB THR A 52 4.107 -6.626 -4.297 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.291 -7.890 -2.743 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.032 -5.618 -3.110 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.756 -4.411 -3.400 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.955 -5.124 -1.782 1.00 0.00 H new ATOM 806 N PHE A 53 1.612 -3.828 -3.244 1.00 0.00 N ATOM 807 CA PHE A 53 1.121 -2.705 -4.100 1.00 0.00 C ATOM 808 C PHE A 53 2.323 -1.937 -4.676 1.00 0.00 C ATOM 809 O PHE A 53 3.453 -2.361 -4.514 1.00 0.00 O ATOM 810 CB PHE A 53 0.270 -1.833 -3.168 1.00 0.00 C ATOM 811 CG PHE A 53 -1.037 -2.543 -2.855 1.00 0.00 C ATOM 812 CD1 PHE A 53 -1.079 -3.545 -1.871 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.210 -2.197 -3.544 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.288 -4.197 -1.582 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.412 -2.852 -3.250 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.451 -3.848 -2.272 1.00 0.00 C ATOM 0 H PHE A 53 1.505 -3.686 -2.240 1.00 0.00 H new ATOM 0 HA PHE A 53 0.533 -3.040 -4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.815 -1.630 -2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.069 -0.870 -3.638 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.180 -3.814 -1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.185 -1.426 -4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.319 -4.968 -0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.313 -2.586 -3.782 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.381 -4.349 -2.049 1.00 0.00 H new ATOM 826 N THR A 54 2.110 -0.822 -5.347 1.00 0.00 N ATOM 827 CA THR A 54 3.258 -0.062 -5.918 1.00 0.00 C ATOM 828 C THR A 54 2.827 1.380 -6.086 1.00 0.00 C ATOM 829 O THR A 54 2.170 1.732 -7.048 1.00 0.00 O ATOM 830 CB THR A 54 3.556 -0.698 -7.280 1.00 0.00 C ATOM 831 OG1 THR A 54 3.296 -2.094 -7.231 1.00 0.00 O ATOM 832 CG2 THR A 54 5.025 -0.465 -7.636 1.00 0.00 C ATOM 0 H THR A 54 1.191 -0.413 -5.519 1.00 0.00 H new ATOM 0 HA THR A 54 4.144 -0.090 -5.283 1.00 0.00 H new ATOM 0 HB THR A 54 2.917 -0.243 -8.037 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.527 -2.304 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.241 -0.916 -8.605 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.223 0.606 -7.683 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.660 -0.918 -6.875 1.00 0.00 H new ATOM 840 N VAL A 55 3.169 2.211 -5.146 1.00 0.00 N ATOM 841 CA VAL A 55 2.747 3.638 -5.234 1.00 0.00 C ATOM 842 C VAL A 55 3.888 4.517 -5.755 1.00 0.00 C ATOM 843 O VAL A 55 4.768 4.930 -5.025 1.00 0.00 O ATOM 844 CB VAL A 55 2.273 4.046 -3.820 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.304 3.668 -2.760 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.022 5.558 -3.757 1.00 0.00 C ATOM 0 H VAL A 55 3.720 1.968 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 55 1.934 3.773 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 55 1.346 3.509 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.942 3.968 -1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.463 2.590 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.245 4.176 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.689 5.830 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.945 6.090 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.254 5.830 -4.481 1.00 0.00 H new ATOM 856 N THR A 56 3.845 4.817 -7.025 1.00 0.00 N ATOM 857 CA THR A 56 4.884 5.689 -7.639 1.00 0.00 C ATOM 858 C THR A 56 4.581 7.144 -7.244 1.00 0.00 C ATOM 859 O THR A 56 3.536 7.431 -6.692 1.00 0.00 O ATOM 860 CB THR A 56 4.737 5.433 -9.162 1.00 0.00 C ATOM 861 OG1 THR A 56 5.522 4.307 -9.523 1.00 0.00 O ATOM 862 CG2 THR A 56 5.189 6.643 -9.992 1.00 0.00 C ATOM 0 H THR A 56 3.125 4.490 -7.670 1.00 0.00 H new ATOM 0 HA THR A 56 5.905 5.487 -7.316 1.00 0.00 H new ATOM 0 HB THR A 56 3.682 5.254 -9.371 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.432 4.140 -10.484 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.070 6.422 -11.053 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.582 7.510 -9.732 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.237 6.857 -9.782 1.00 0.00 H new ATOM 870 N GLU A 57 5.482 8.053 -7.522 1.00 0.00 N ATOM 871 CA GLU A 57 5.243 9.483 -7.162 1.00 0.00 C ATOM 872 C GLU A 57 5.313 10.360 -8.416 1.00 0.00 C ATOM 873 O GLU A 57 4.720 11.426 -8.406 1.00 0.00 O ATOM 874 CB GLU A 57 6.367 9.843 -6.189 1.00 0.00 C ATOM 875 CG GLU A 57 6.158 11.266 -5.665 1.00 0.00 C ATOM 876 CD GLU A 57 7.516 11.935 -5.440 1.00 0.00 C ATOM 877 OE1 GLU A 57 8.310 11.948 -6.366 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.740 12.421 -4.343 1.00 0.00 O ATOM 879 OXT GLU A 57 5.958 9.949 -9.366 1.00 0.00 O ATOM 0 H GLU A 57 6.373 7.866 -7.983 1.00 0.00 H new ATOM 0 HA GLU A 57 4.259 9.639 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.382 9.138 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.333 9.767 -6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.570 11.844 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.594 11.242 -4.732 1.00 0.00 H new