USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 419 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 22 GLN : amide:sc= 0.997 K(o=3,f=1.1) USER MOD Set 1.2: A 26 TYR OH : rot 64:sc= 1.98 USER MOD Single : A 1 THR N :NH3+ -123:sc= 1.08 (180deg=0.132) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.263 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0725 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.064 K(o=0.064,f=-11!) USER MOD Single : A 13 GLN : amide:sc= -0.25 K(o=-0.25,f=-4.7!) USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= 0.178 (180deg=-3.76!) USER MOD Single : A 24 THR OG1 : rot 79:sc= 0.63 USER MOD Single : A 25 SER OG : rot 161:sc= 1.64 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 32:sc= 0.767 USER MOD Single : A 31 THR OG1 : rot 66:sc= 0.947 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 38:sc= 0.901 USER MOD Single : A 44 THR OG1 : rot -180:sc= 1.3 USER MOD Single : A 47 TYR OH : rot 39:sc= 0.138 USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= 1.89 (180deg=0.383!) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 0.669 (180deg=-1.2!) USER MOD Single : A 53 TYR OH : rot 167:sc= 0.827 USER MOD Single : A 59 THR OG1 : rot 47:sc= 0.793 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 7.346 7.817 10.698 1.00 0.00 N ATOM 2 CA THR A 1 7.973 6.780 9.899 1.00 0.00 C ATOM 3 C THR A 1 8.097 7.424 8.525 1.00 0.00 C ATOM 4 O THR A 1 7.697 8.575 8.400 1.00 0.00 O ATOM 5 CB THR A 1 7.020 5.568 9.927 1.00 0.00 C ATOM 6 OG1 THR A 1 5.726 6.093 10.204 1.00 0.00 O ATOM 7 CG2 THR A 1 7.421 4.568 11.022 1.00 0.00 C ATOM 0 H1 THR A 1 7.947 8.034 11.518 1.00 0.00 H new ATOM 0 H2 THR A 1 7.224 8.674 10.121 1.00 0.00 H new ATOM 0 H3 THR A 1 6.417 7.487 11.028 1.00 0.00 H new ATOM 0 HA THR A 1 8.948 6.426 10.235 1.00 0.00 H new ATOM 0 HB THR A 1 7.052 5.031 8.979 1.00 0.00 H new ATOM 0 HG1 THR A 1 5.075 5.361 10.232 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.730 3.725 11.016 1.00 0.00 H new ATOM 0 HG22 THR A 1 8.433 4.209 10.834 1.00 0.00 H new ATOM 0 HG23 THR A 1 7.385 5.059 11.994 1.00 0.00 H new ATOM 17 N ALA A 2 8.645 6.678 7.548 1.00 0.00 N ATOM 18 CA ALA A 2 8.790 7.204 6.197 1.00 0.00 C ATOM 19 C ALA A 2 8.611 6.025 5.236 1.00 0.00 C ATOM 20 O ALA A 2 9.408 5.096 5.220 1.00 0.00 O ATOM 21 CB ALA A 2 10.170 7.849 6.033 1.00 0.00 C ATOM 0 H ALA A 2 8.987 5.725 7.675 1.00 0.00 H new ATOM 0 HA ALA A 2 8.048 7.974 5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.271 8.240 5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.278 8.664 6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.944 7.103 6.213 1.00 0.00 H new ATOM 27 N LEU A 3 7.499 6.103 4.486 1.00 0.00 N ATOM 28 CA LEU A 3 7.115 5.056 3.545 1.00 0.00 C ATOM 29 C LEU A 3 7.086 5.685 2.137 1.00 0.00 C ATOM 30 O LEU A 3 6.062 6.158 1.653 1.00 0.00 O ATOM 31 CB LEU A 3 5.737 4.455 3.907 1.00 0.00 C ATOM 32 CG LEU A 3 5.728 3.293 4.929 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.979 1.930 4.272 1.00 0.00 C ATOM 34 CD2 LEU A 3 6.648 3.496 6.137 1.00 0.00 C ATOM 0 H LEU A 3 6.851 6.890 4.519 1.00 0.00 H new ATOM 0 HA LEU A 3 7.834 4.237 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.109 5.256 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.268 4.103 2.988 1.00 0.00 H new ATOM 0 HG LEU A 3 4.712 3.300 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.962 1.150 5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.201 1.733 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.952 1.937 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.576 2.632 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.677 3.607 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.346 4.393 6.678 1.00 0.00 H new ATOM 46 N PHE A 4 8.295 5.642 1.546 1.00 0.00 N ATOM 47 CA PHE A 4 8.566 6.137 0.194 1.00 0.00 C ATOM 48 C PHE A 4 7.841 5.215 -0.816 1.00 0.00 C ATOM 49 O PHE A 4 7.466 4.108 -0.461 1.00 0.00 O ATOM 50 CB PHE A 4 10.105 6.105 -0.014 1.00 0.00 C ATOM 51 CG PHE A 4 10.846 6.806 1.094 1.00 0.00 C ATOM 52 CD1 PHE A 4 10.914 8.196 1.124 1.00 0.00 C ATOM 53 CD2 PHE A 4 11.482 6.077 2.096 1.00 0.00 C ATOM 54 CE1 PHE A 4 11.611 8.847 2.134 1.00 0.00 C ATOM 55 CE2 PHE A 4 12.177 6.725 3.107 1.00 0.00 C ATOM 56 CZ PHE A 4 12.246 8.111 3.125 1.00 0.00 C ATOM 0 H PHE A 4 9.119 5.256 2.006 1.00 0.00 H new ATOM 0 HA PHE A 4 8.206 7.155 0.048 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.440 5.069 -0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.351 6.575 -0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.421 8.773 0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.434 4.998 2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.659 9.926 2.148 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.665 6.150 3.881 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.792 8.616 3.908 1.00 0.00 H new ATOM 66 N THR A 5 7.696 5.665 -2.084 1.00 0.00 N ATOM 67 CA THR A 5 6.998 4.821 -3.054 1.00 0.00 C ATOM 68 C THR A 5 7.943 3.776 -3.672 1.00 0.00 C ATOM 69 O THR A 5 7.577 2.642 -3.961 1.00 0.00 O ATOM 70 CB THR A 5 6.514 5.748 -4.173 1.00 0.00 C ATOM 71 OG1 THR A 5 7.603 6.489 -4.708 1.00 0.00 O ATOM 72 CG2 THR A 5 5.539 6.816 -3.675 1.00 0.00 C ATOM 0 H THR A 5 8.036 6.560 -2.437 1.00 0.00 H new ATOM 0 HA THR A 5 6.183 4.292 -2.560 1.00 0.00 H new ATOM 0 HB THR A 5 6.038 5.091 -4.901 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.279 7.076 -5.423 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.229 7.444 -4.510 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.664 6.335 -3.239 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.028 7.432 -2.920 1.00 0.00 H new ATOM 80 N MET A 6 9.180 4.286 -3.813 1.00 0.00 N ATOM 81 CA MET A 6 10.393 3.608 -4.271 1.00 0.00 C ATOM 82 C MET A 6 10.134 2.313 -5.077 1.00 0.00 C ATOM 83 O MET A 6 10.212 1.205 -4.564 1.00 0.00 O ATOM 84 CB MET A 6 11.305 3.359 -3.049 1.00 0.00 C ATOM 85 CG MET A 6 10.566 2.769 -1.838 1.00 0.00 C ATOM 86 SD MET A 6 11.659 2.435 -0.448 1.00 0.00 S ATOM 87 CE MET A 6 10.387 2.084 0.782 1.00 0.00 C ATOM 0 H MET A 6 9.365 5.264 -3.590 1.00 0.00 H new ATOM 0 HA MET A 6 10.891 4.263 -4.986 1.00 0.00 H new ATOM 0 HB2 MET A 6 12.109 2.682 -3.338 1.00 0.00 H new ATOM 0 HB3 MET A 6 11.771 4.300 -2.756 1.00 0.00 H new ATOM 0 HG2 MET A 6 9.785 3.461 -1.522 1.00 0.00 H new ATOM 0 HG3 MET A 6 10.071 1.844 -2.135 1.00 0.00 H new ATOM 0 HE1 MET A 6 10.859 1.848 1.736 1.00 0.00 H new ATOM 0 HE2 MET A 6 9.745 2.957 0.901 1.00 0.00 H new ATOM 0 HE3 MET A 6 9.788 1.235 0.454 1.00 0.00 H new ATOM 97 N GLY A 7 9.841 2.537 -6.374 1.00 0.00 N ATOM 98 CA GLY A 7 9.591 1.439 -7.306 1.00 0.00 C ATOM 99 C GLY A 7 8.122 1.409 -7.736 1.00 0.00 C ATOM 100 O GLY A 7 7.796 1.196 -8.896 1.00 0.00 O ATOM 0 H GLY A 7 9.774 3.466 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.228 1.550 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.856 0.491 -6.837 1.00 0.00 H new ATOM 104 N GLY A 8 7.267 1.640 -6.722 1.00 0.00 N ATOM 105 CA GLY A 8 5.825 1.673 -6.945 1.00 0.00 C ATOM 106 C GLY A 8 5.409 2.868 -7.837 1.00 0.00 C ATOM 107 O GLY A 8 6.254 3.583 -8.360 1.00 0.00 O ATOM 0 H GLY A 8 7.552 1.803 -5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.508 0.742 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.310 1.738 -5.986 1.00 0.00 H new ATOM 111 N ASN A 9 4.075 3.019 -8.029 1.00 0.00 N ATOM 112 CA ASN A 9 3.554 3.994 -9.000 1.00 0.00 C ATOM 113 C ASN A 9 2.705 5.119 -8.369 1.00 0.00 C ATOM 114 O ASN A 9 2.065 5.886 -9.074 1.00 0.00 O ATOM 115 CB ASN A 9 2.766 3.215 -10.083 1.00 0.00 C ATOM 116 CG ASN A 9 1.431 2.608 -9.592 1.00 0.00 C ATOM 117 OD1 ASN A 9 0.872 3.025 -8.591 1.00 0.00 O ATOM 118 ND2 ASN A 9 0.926 1.609 -10.336 1.00 0.00 N ATOM 0 H ASN A 9 3.360 2.488 -7.533 1.00 0.00 H new ATOM 0 HA ASN A 9 4.400 4.519 -9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.561 3.885 -10.918 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.396 2.413 -10.466 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.044 1.171 -10.070 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.425 1.289 -11.166 1.00 0.00 H new ATOM 125 N ALA A 10 2.752 5.175 -7.030 1.00 0.00 N ATOM 126 CA ALA A 10 2.013 6.064 -6.129 1.00 0.00 C ATOM 127 C ALA A 10 2.112 7.601 -6.347 1.00 0.00 C ATOM 128 O ALA A 10 1.823 8.352 -5.425 1.00 0.00 O ATOM 129 CB ALA A 10 2.503 5.721 -4.710 1.00 0.00 C ATOM 0 H ALA A 10 3.361 4.545 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 10 0.958 5.875 -6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.989 6.352 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.291 4.674 -4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.577 5.894 -4.644 1.00 0.00 H new ATOM 135 N GLU A 11 2.532 8.082 -7.532 1.00 0.00 N ATOM 136 CA GLU A 11 2.620 9.531 -7.758 1.00 0.00 C ATOM 137 C GLU A 11 3.618 10.228 -6.790 1.00 0.00 C ATOM 138 O GLU A 11 3.545 11.427 -6.558 1.00 0.00 O ATOM 139 CB GLU A 11 1.214 10.188 -7.667 1.00 0.00 C ATOM 140 CG GLU A 11 0.800 10.954 -8.933 1.00 0.00 C ATOM 141 CD GLU A 11 0.251 9.986 -9.982 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.028 9.405 -10.739 1.00 0.00 O ATOM 143 OE2 GLU A 11 -0.962 9.781 -10.032 1.00 0.00 O ATOM 0 H GLU A 11 2.808 7.504 -8.326 1.00 0.00 H new ATOM 0 HA GLU A 11 3.010 9.671 -8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.474 9.413 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.198 10.872 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.044 11.699 -8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.657 11.492 -9.338 1.00 0.00 H new ATOM 150 N GLY A 12 4.530 9.414 -6.209 1.00 0.00 N ATOM 151 CA GLY A 12 5.484 9.958 -5.229 1.00 0.00 C ATOM 152 C GLY A 12 4.830 10.152 -3.837 1.00 0.00 C ATOM 153 O GLY A 12 5.492 10.556 -2.889 1.00 0.00 O ATOM 0 H GLY A 12 4.621 8.415 -6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.337 9.285 -5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.868 10.913 -5.587 1.00 0.00 H new ATOM 157 N GLN A 13 3.511 9.870 -3.753 1.00 0.00 N ATOM 158 CA GLN A 13 2.791 10.028 -2.493 1.00 0.00 C ATOM 159 C GLN A 13 3.216 8.914 -1.509 1.00 0.00 C ATOM 160 O GLN A 13 3.331 7.758 -1.891 1.00 0.00 O ATOM 161 CB GLN A 13 1.266 9.958 -2.718 1.00 0.00 C ATOM 162 CG GLN A 13 0.680 11.132 -3.532 1.00 0.00 C ATOM 163 CD GLN A 13 0.700 12.446 -2.723 1.00 0.00 C ATOM 164 OE1 GLN A 13 1.168 12.499 -1.595 1.00 0.00 O ATOM 165 NE2 GLN A 13 0.126 13.493 -3.334 1.00 0.00 N ATOM 0 H GLN A 13 2.942 9.539 -4.532 1.00 0.00 H new ATOM 0 HA GLN A 13 3.037 11.005 -2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.030 9.025 -3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.770 9.923 -1.748 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.252 11.260 -4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.344 10.899 -3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.248 13.391 -4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.064 14.392 -2.855 1.00 0.00 H new ATOM 174 N PRO A 14 3.427 9.279 -0.217 1.00 0.00 N ATOM 175 CA PRO A 14 3.802 8.299 0.797 1.00 0.00 C ATOM 176 C PRO A 14 2.629 7.351 1.113 1.00 0.00 C ATOM 177 O PRO A 14 1.468 7.772 1.145 1.00 0.00 O ATOM 178 CB PRO A 14 4.180 9.151 2.015 1.00 0.00 C ATOM 179 CG PRO A 14 3.414 10.469 1.835 1.00 0.00 C ATOM 180 CD PRO A 14 3.288 10.632 0.319 1.00 0.00 C ATOM 0 HA PRO A 14 4.618 7.652 0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.899 8.656 2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.256 9.323 2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.435 10.428 2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.952 11.305 2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.327 11.068 0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.060 11.294 -0.073 1.00 0.00 H new ATOM 188 N CYS A 15 3.008 6.068 1.357 1.00 0.00 N ATOM 189 CA CYS A 15 2.045 4.996 1.676 1.00 0.00 C ATOM 190 C CYS A 15 0.947 5.517 2.600 1.00 0.00 C ATOM 191 O CYS A 15 1.180 6.370 3.454 1.00 0.00 O ATOM 192 CB CYS A 15 2.717 3.890 2.496 1.00 0.00 C ATOM 193 SG CYS A 15 3.782 2.773 1.552 1.00 0.00 S ATOM 0 H CYS A 15 3.979 5.757 1.337 1.00 0.00 H new ATOM 0 HA CYS A 15 1.661 4.639 0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.311 4.353 3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.942 3.300 2.986 1.00 0.00 H new ATOM 198 N LYS A 16 -0.275 5.020 2.355 1.00 0.00 N ATOM 199 CA LYS A 16 -1.416 5.515 3.108 1.00 0.00 C ATOM 200 C LYS A 16 -2.058 4.365 3.875 1.00 0.00 C ATOM 201 O LYS A 16 -2.216 3.258 3.382 1.00 0.00 O ATOM 202 CB LYS A 16 -2.392 6.159 2.108 1.00 0.00 C ATOM 203 CG LYS A 16 -3.385 7.197 2.716 1.00 0.00 C ATOM 204 CD LYS A 16 -2.746 8.578 2.976 1.00 0.00 C ATOM 205 CE LYS A 16 -1.458 8.719 3.810 1.00 0.00 C ATOM 206 NZ LYS A 16 -0.187 8.472 3.105 1.00 0.00 N ATOM 0 H LYS A 16 -0.486 4.300 1.664 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.117 6.263 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.813 6.650 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.968 5.368 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.231 7.318 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.780 6.805 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.544 9.023 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.505 9.194 3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.428 9.727 4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.520 8.030 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.361 7.753 3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.384 8.134 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.360 9.355 3.056 1.00 0.00 H new ATOM 220 N PHE A 17 -2.370 4.720 5.127 1.00 0.00 N ATOM 221 CA PHE A 17 -3.003 3.805 6.062 1.00 0.00 C ATOM 222 C PHE A 17 -4.117 4.632 6.722 1.00 0.00 C ATOM 223 O PHE A 17 -3.842 5.751 7.141 1.00 0.00 O ATOM 224 CB PHE A 17 -1.978 3.355 7.127 1.00 0.00 C ATOM 225 CG PHE A 17 -0.752 2.696 6.539 1.00 0.00 C ATOM 226 CD1 PHE A 17 -0.824 1.434 5.963 1.00 0.00 C ATOM 227 CD2 PHE A 17 0.485 3.330 6.576 1.00 0.00 C ATOM 228 CE1 PHE A 17 0.313 0.813 5.466 1.00 0.00 C ATOM 229 CE2 PHE A 17 1.623 2.713 6.080 1.00 0.00 C ATOM 230 CZ PHE A 17 1.545 1.442 5.532 1.00 0.00 C ATOM 0 H PHE A 17 -2.189 5.647 5.512 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.386 2.908 5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.670 4.221 7.713 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.461 2.660 7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.777 0.930 5.901 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.561 4.321 6.999 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.236 -0.169 5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.573 3.224 6.121 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.432 0.950 5.162 1.00 0.00 H new ATOM 240 N PRO A 18 -5.363 4.096 6.807 1.00 0.00 N ATOM 241 CA PRO A 18 -5.803 2.818 6.247 1.00 0.00 C ATOM 242 C PRO A 18 -6.087 2.939 4.735 1.00 0.00 C ATOM 243 O PRO A 18 -6.733 3.885 4.305 1.00 0.00 O ATOM 244 CB PRO A 18 -7.143 2.559 6.955 1.00 0.00 C ATOM 245 CG PRO A 18 -7.678 3.951 7.302 1.00 0.00 C ATOM 246 CD PRO A 18 -6.424 4.798 7.527 1.00 0.00 C ATOM 0 HA PRO A 18 -5.053 2.039 6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.834 2.020 6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.006 1.953 7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.289 4.354 6.495 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.304 3.925 8.194 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.557 5.810 7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.191 4.885 8.588 1.00 0.00 H new ATOM 254 N PHE A 19 -5.600 1.947 3.964 1.00 0.00 N ATOM 255 CA PHE A 19 -5.882 1.909 2.531 1.00 0.00 C ATOM 256 C PHE A 19 -6.835 0.717 2.266 1.00 0.00 C ATOM 257 O PHE A 19 -6.573 -0.409 2.666 1.00 0.00 O ATOM 258 CB PHE A 19 -4.628 1.800 1.640 1.00 0.00 C ATOM 259 CG PHE A 19 -3.787 0.543 1.876 1.00 0.00 C ATOM 260 CD1 PHE A 19 -3.029 0.308 3.038 1.00 0.00 C ATOM 261 CD2 PHE A 19 -3.757 -0.424 0.864 1.00 0.00 C ATOM 262 CE1 PHE A 19 -2.226 -0.817 3.146 1.00 0.00 C ATOM 263 CE2 PHE A 19 -2.931 -1.564 0.976 1.00 0.00 C ATOM 264 CZ PHE A 19 -2.165 -1.740 2.118 1.00 0.00 C ATOM 0 H PHE A 19 -5.022 1.180 4.308 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.339 2.861 2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.937 1.823 0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.002 2.677 1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.073 1.012 3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.373 -0.297 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.643 -0.974 4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.896 -2.292 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.519 -2.601 2.205 1.00 0.00 H new ATOM 274 N ARG A 20 -7.950 1.017 1.576 1.00 0.00 N ATOM 275 CA ARG A 20 -8.936 -0.016 1.235 1.00 0.00 C ATOM 276 C ARG A 20 -8.500 -0.814 -0.001 1.00 0.00 C ATOM 277 O ARG A 20 -8.265 -0.229 -1.053 1.00 0.00 O ATOM 278 CB ARG A 20 -10.254 0.694 0.844 1.00 0.00 C ATOM 279 CG ARG A 20 -11.522 -0.157 0.651 1.00 0.00 C ATOM 280 CD ARG A 20 -12.265 -0.552 1.954 1.00 0.00 C ATOM 281 NE ARG A 20 -11.949 0.321 3.103 1.00 0.00 N ATOM 282 CZ ARG A 20 -12.340 1.606 3.209 1.00 0.00 C ATOM 283 NH1 ARG A 20 -12.793 2.300 2.159 1.00 0.00 N ATOM 284 NH2 ARG A 20 -12.226 2.162 4.411 1.00 0.00 N ATOM 0 H ARG A 20 -8.186 1.954 1.249 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.044 -0.682 2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.469 1.438 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.075 1.236 -0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.213 0.392 0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.250 -1.068 0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.339 -0.525 1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.011 -1.581 2.209 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.399 -0.075 3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.851 1.858 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.081 3.272 2.276 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.858 1.618 5.192 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.506 3.132 4.553 1.00 0.00 H new ATOM 298 N PHE A 21 -8.489 -2.153 0.162 1.00 0.00 N ATOM 299 CA PHE A 21 -8.295 -3.019 -1.001 1.00 0.00 C ATOM 300 C PHE A 21 -9.178 -4.265 -0.789 1.00 0.00 C ATOM 301 O PHE A 21 -9.241 -4.825 0.302 1.00 0.00 O ATOM 302 CB PHE A 21 -6.830 -3.399 -1.188 1.00 0.00 C ATOM 303 CG PHE A 21 -6.651 -4.380 -2.321 1.00 0.00 C ATOM 304 CD1 PHE A 21 -7.118 -4.078 -3.587 1.00 0.00 C ATOM 305 CD2 PHE A 21 -6.019 -5.595 -2.124 1.00 0.00 C ATOM 306 CE1 PHE A 21 -6.918 -4.943 -4.654 1.00 0.00 C ATOM 307 CE2 PHE A 21 -5.800 -6.471 -3.180 1.00 0.00 C ATOM 308 CZ PHE A 21 -6.246 -6.141 -4.453 1.00 0.00 C ATOM 0 H PHE A 21 -8.608 -2.636 1.053 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.582 -2.495 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.243 -2.502 -1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.446 -3.834 -0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.649 -3.151 -3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.690 -5.867 -1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.284 -4.685 -5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.285 -7.405 -3.011 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.071 -6.812 -5.281 1.00 0.00 H new ATOM 318 N GLN A 22 -9.873 -4.654 -1.873 1.00 0.00 N ATOM 319 CA GLN A 22 -10.839 -5.745 -1.856 1.00 0.00 C ATOM 320 C GLN A 22 -11.965 -5.400 -0.840 1.00 0.00 C ATOM 321 O GLN A 22 -12.455 -6.254 -0.107 1.00 0.00 O ATOM 322 CB GLN A 22 -10.225 -7.155 -1.589 1.00 0.00 C ATOM 323 CG GLN A 22 -9.111 -7.608 -2.573 1.00 0.00 C ATOM 324 CD GLN A 22 -8.290 -8.820 -2.070 1.00 0.00 C ATOM 325 OE1 GLN A 22 -8.186 -9.817 -2.769 1.00 0.00 O ATOM 326 NE2 GLN A 22 -7.714 -8.743 -0.862 1.00 0.00 N ATOM 0 H GLN A 22 -9.773 -4.212 -2.787 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.250 -5.828 -2.862 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.817 -7.167 -0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.029 -7.891 -1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.566 -7.861 -3.531 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.435 -6.772 -2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.818 -7.898 -0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.172 -9.530 -0.504 1.00 0.00 H new ATOM 335 N GLY A 23 -12.342 -4.094 -0.814 1.00 0.00 N ATOM 336 CA GLY A 23 -13.428 -3.644 0.052 1.00 0.00 C ATOM 337 C GLY A 23 -13.108 -3.756 1.548 1.00 0.00 C ATOM 338 O GLY A 23 -13.984 -3.610 2.388 1.00 0.00 O ATOM 0 H GLY A 23 -11.911 -3.360 -1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.663 -2.606 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.321 -4.230 -0.165 1.00 0.00 H new ATOM 342 N THR A 24 -11.819 -4.020 1.841 1.00 0.00 N ATOM 343 CA THR A 24 -11.375 -4.210 3.212 1.00 0.00 C ATOM 344 C THR A 24 -10.272 -3.172 3.531 1.00 0.00 C ATOM 345 O THR A 24 -9.355 -2.984 2.745 1.00 0.00 O ATOM 346 CB THR A 24 -10.885 -5.663 3.229 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.899 -6.531 2.741 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.493 -6.139 4.632 1.00 0.00 C ATOM 0 H THR A 24 -11.081 -4.104 1.142 1.00 0.00 H new ATOM 0 HA THR A 24 -12.138 -4.056 3.975 1.00 0.00 H new ATOM 0 HB THR A 24 -10.002 -5.693 2.591 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.918 -6.493 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.154 -7.174 4.584 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.689 -5.512 5.018 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.356 -6.071 5.294 1.00 0.00 H new ATOM 356 N SER A 25 -10.416 -2.481 4.688 1.00 0.00 N ATOM 357 CA SER A 25 -9.436 -1.459 5.075 1.00 0.00 C ATOM 358 C SER A 25 -8.175 -2.132 5.659 1.00 0.00 C ATOM 359 O SER A 25 -8.286 -2.971 6.543 1.00 0.00 O ATOM 360 CB SER A 25 -10.049 -0.500 6.115 1.00 0.00 C ATOM 361 OG SER A 25 -11.344 -0.024 5.748 1.00 0.00 O ATOM 0 H SER A 25 -11.182 -2.613 5.348 1.00 0.00 H new ATOM 0 HA SER A 25 -9.157 -0.887 4.190 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.116 -1.011 7.076 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.382 0.351 6.252 1.00 0.00 H new ATOM 0 HG SER A 25 -11.805 0.316 6.543 1.00 0.00 H new ATOM 367 N TYR A 26 -6.995 -1.747 5.123 1.00 0.00 N ATOM 368 CA TYR A 26 -5.716 -2.316 5.560 1.00 0.00 C ATOM 369 C TYR A 26 -4.861 -1.202 6.186 1.00 0.00 C ATOM 370 O TYR A 26 -4.750 -0.117 5.632 1.00 0.00 O ATOM 371 CB TYR A 26 -4.894 -2.822 4.354 1.00 0.00 C ATOM 372 CG TYR A 26 -5.491 -3.908 3.499 1.00 0.00 C ATOM 373 CD1 TYR A 26 -6.687 -4.551 3.788 1.00 0.00 C ATOM 374 CD2 TYR A 26 -4.814 -4.278 2.345 1.00 0.00 C ATOM 375 CE1 TYR A 26 -7.202 -5.494 2.920 1.00 0.00 C ATOM 376 CE2 TYR A 26 -5.320 -5.229 1.482 1.00 0.00 C ATOM 377 CZ TYR A 26 -6.551 -5.795 1.745 1.00 0.00 C ATOM 378 OH TYR A 26 -7.183 -6.589 0.820 1.00 0.00 O ATOM 0 H TYR A 26 -6.910 -1.045 4.388 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.939 -3.127 6.254 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.684 -1.968 3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.936 -3.181 4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.218 -4.312 4.698 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.868 -3.810 2.117 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.124 -6.000 3.165 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.758 -5.527 0.609 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.984 -6.131 0.488 1.00 0.00 H new ATOM 388 N ASP A 27 -4.230 -1.543 7.325 1.00 0.00 N ATOM 389 CA ASP A 27 -3.340 -0.610 8.022 1.00 0.00 C ATOM 390 C ASP A 27 -1.929 -1.219 8.106 1.00 0.00 C ATOM 391 O ASP A 27 -1.211 -1.049 9.083 1.00 0.00 O ATOM 392 CB ASP A 27 -3.891 -0.328 9.429 1.00 0.00 C ATOM 393 CG ASP A 27 -5.109 0.593 9.334 1.00 0.00 C ATOM 394 OD1 ASP A 27 -4.914 1.806 9.263 1.00 0.00 O ATOM 395 OD2 ASP A 27 -6.231 0.090 9.321 1.00 0.00 O ATOM 0 H ASP A 27 -4.322 -2.453 7.776 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.286 0.331 7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.168 -1.263 9.915 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.120 0.135 10.045 1.00 0.00 H new ATOM 400 N SER A 28 -1.565 -1.957 7.038 1.00 0.00 N ATOM 401 CA SER A 28 -0.272 -2.617 7.059 1.00 0.00 C ATOM 402 C SER A 28 0.106 -3.018 5.631 1.00 0.00 C ATOM 403 O SER A 28 -0.756 -3.312 4.812 1.00 0.00 O ATOM 404 CB SER A 28 -0.419 -3.899 7.910 1.00 0.00 C ATOM 405 OG SER A 28 -1.536 -4.657 7.467 1.00 0.00 O ATOM 0 H SER A 28 -2.124 -2.099 6.197 1.00 0.00 H new ATOM 0 HA SER A 28 0.493 -1.958 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.488 -4.499 7.837 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.543 -3.635 8.960 1.00 0.00 H new ATOM 0 HG SER A 28 -1.618 -5.467 8.012 1.00 0.00 H new ATOM 411 N CYS A 29 1.434 -3.057 5.418 1.00 0.00 N ATOM 412 CA CYS A 29 2.016 -3.492 4.150 1.00 0.00 C ATOM 413 C CYS A 29 1.458 -4.879 3.718 1.00 0.00 C ATOM 414 O CYS A 29 1.563 -5.845 4.472 1.00 0.00 O ATOM 415 CB CYS A 29 3.508 -3.653 4.415 1.00 0.00 C ATOM 416 SG CYS A 29 4.361 -2.151 4.952 1.00 0.00 S ATOM 0 H CYS A 29 2.124 -2.788 6.120 1.00 0.00 H new ATOM 0 HA CYS A 29 1.787 -2.772 3.364 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.645 -4.421 5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.985 -4.017 3.505 1.00 0.00 H new ATOM 421 N THR A 30 0.860 -4.949 2.506 1.00 0.00 N ATOM 422 CA THR A 30 0.210 -6.188 2.070 1.00 0.00 C ATOM 423 C THR A 30 0.937 -6.794 0.851 1.00 0.00 C ATOM 424 O THR A 30 1.406 -6.089 -0.028 1.00 0.00 O ATOM 425 CB THR A 30 -1.272 -5.847 1.774 1.00 0.00 C ATOM 426 OG1 THR A 30 -2.074 -6.974 1.486 1.00 0.00 O ATOM 427 CG2 THR A 30 -1.440 -4.952 0.535 1.00 0.00 C ATOM 0 H THR A 30 0.818 -4.181 1.836 1.00 0.00 H new ATOM 0 HA THR A 30 0.258 -6.952 2.846 1.00 0.00 H new ATOM 0 HB THR A 30 -1.587 -5.357 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.746 -7.747 1.992 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.498 -4.746 0.376 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.907 -4.014 0.689 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.034 -5.461 -0.339 1.00 0.00 H new ATOM 435 N THR A 31 0.988 -8.137 0.840 1.00 0.00 N ATOM 436 CA THR A 31 1.541 -8.887 -0.294 1.00 0.00 C ATOM 437 C THR A 31 0.406 -9.381 -1.203 1.00 0.00 C ATOM 438 O THR A 31 0.611 -9.889 -2.297 1.00 0.00 O ATOM 439 CB THR A 31 2.368 -10.081 0.241 1.00 0.00 C ATOM 440 OG1 THR A 31 2.093 -10.322 1.623 1.00 0.00 O ATOM 441 CG2 THR A 31 3.860 -9.794 0.068 1.00 0.00 C ATOM 0 H THR A 31 0.652 -8.723 1.605 1.00 0.00 H new ATOM 0 HA THR A 31 2.190 -8.237 -0.881 1.00 0.00 H new ATOM 0 HB THR A 31 2.089 -10.967 -0.329 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.163 -10.613 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.439 -10.637 0.446 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.082 -9.646 -0.989 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.124 -8.894 0.624 1.00 0.00 H new ATOM 449 N GLU A 32 -0.800 -9.232 -0.652 1.00 0.00 N ATOM 450 CA GLU A 32 -2.015 -9.727 -1.232 1.00 0.00 C ATOM 451 C GLU A 32 -2.276 -8.951 -2.535 1.00 0.00 C ATOM 452 O GLU A 32 -2.604 -7.771 -2.531 1.00 0.00 O ATOM 453 CB GLU A 32 -3.087 -9.579 -0.136 1.00 0.00 C ATOM 454 CG GLU A 32 -2.819 -10.410 1.162 1.00 0.00 C ATOM 455 CD GLU A 32 -1.426 -10.260 1.844 1.00 0.00 C ATOM 456 OE1 GLU A 32 -1.159 -9.252 2.497 1.00 0.00 O ATOM 457 OE2 GLU A 32 -0.579 -11.136 1.681 1.00 0.00 O ATOM 0 H GLU A 32 -0.945 -8.748 0.234 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.994 -10.775 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.167 -8.526 0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.051 -9.877 -0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.581 -10.143 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.963 -11.463 0.921 1.00 0.00 H new ATOM 464 N GLY A 33 -2.063 -9.686 -3.645 1.00 0.00 N ATOM 465 CA GLY A 33 -2.223 -9.114 -4.979 1.00 0.00 C ATOM 466 C GLY A 33 -0.955 -9.263 -5.834 1.00 0.00 C ATOM 467 O GLY A 33 -1.018 -9.158 -7.051 1.00 0.00 O ATOM 0 H GLY A 33 -1.783 -10.667 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.058 -9.601 -5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.477 -8.058 -4.891 1.00 0.00 H new ATOM 471 N ARG A 34 0.190 -9.511 -5.162 1.00 0.00 N ATOM 472 CA ARG A 34 1.443 -9.663 -5.933 1.00 0.00 C ATOM 473 C ARG A 34 2.003 -11.072 -5.700 1.00 0.00 C ATOM 474 O ARG A 34 1.823 -11.667 -4.648 1.00 0.00 O ATOM 475 CB ARG A 34 2.475 -8.637 -5.453 1.00 0.00 C ATOM 476 CG ARG A 34 2.030 -7.187 -5.691 1.00 0.00 C ATOM 477 CD ARG A 34 3.205 -6.209 -5.505 1.00 0.00 C ATOM 478 NE ARG A 34 4.090 -6.279 -6.681 1.00 0.00 N ATOM 479 CZ ARG A 34 4.015 -5.414 -7.720 1.00 0.00 C ATOM 480 NH1 ARG A 34 3.104 -4.449 -7.733 1.00 0.00 N ATOM 481 NH2 ARG A 34 4.869 -5.532 -8.727 1.00 0.00 N ATOM 0 H ARG A 34 0.275 -9.606 -4.150 1.00 0.00 H new ATOM 0 HA ARG A 34 1.238 -9.506 -6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.660 -8.785 -4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.420 -8.811 -5.968 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.626 -7.088 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.227 -6.932 -4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.831 -5.193 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.761 -6.459 -4.602 1.00 0.00 H new ATOM 0 HE ARG A 34 4.794 -7.016 -6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.451 -4.353 -6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.057 -3.803 -8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.574 -6.269 -8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.821 -4.886 -9.515 1.00 0.00 H new ATOM 495 N THR A 35 2.691 -11.559 -6.754 1.00 0.00 N ATOM 496 CA THR A 35 3.309 -12.884 -6.721 1.00 0.00 C ATOM 497 C THR A 35 4.819 -12.780 -7.034 1.00 0.00 C ATOM 498 O THR A 35 5.444 -13.736 -7.471 1.00 0.00 O ATOM 499 CB THR A 35 2.569 -13.779 -7.736 1.00 0.00 C ATOM 500 OG1 THR A 35 1.169 -13.573 -7.657 1.00 0.00 O ATOM 501 CG2 THR A 35 2.787 -15.272 -7.479 1.00 0.00 C ATOM 0 H THR A 35 2.827 -11.052 -7.629 1.00 0.00 H new ATOM 0 HA THR A 35 3.225 -13.326 -5.728 1.00 0.00 H new ATOM 0 HB THR A 35 2.973 -13.503 -8.710 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.716 -14.148 -8.309 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.243 -15.853 -8.224 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.850 -15.501 -7.546 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.423 -15.527 -6.484 1.00 0.00 H new ATOM 509 N ASP A 36 5.363 -11.568 -6.795 1.00 0.00 N ATOM 510 CA ASP A 36 6.769 -11.282 -7.095 1.00 0.00 C ATOM 511 C ASP A 36 7.647 -11.142 -5.831 1.00 0.00 C ATOM 512 O ASP A 36 8.861 -11.000 -5.931 1.00 0.00 O ATOM 513 CB ASP A 36 6.845 -10.021 -7.974 1.00 0.00 C ATOM 514 CG ASP A 36 6.242 -8.758 -7.340 1.00 0.00 C ATOM 515 OD1 ASP A 36 5.817 -8.780 -6.184 1.00 0.00 O ATOM 516 OD2 ASP A 36 6.190 -7.739 -8.022 1.00 0.00 O ATOM 0 H ASP A 36 4.849 -10.782 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 36 7.177 -12.136 -7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.890 -9.826 -8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.332 -10.219 -8.915 1.00 0.00 H new ATOM 521 N GLY A 37 6.997 -11.239 -4.649 1.00 0.00 N ATOM 522 CA GLY A 37 7.747 -11.230 -3.396 1.00 0.00 C ATOM 523 C GLY A 37 7.863 -9.862 -2.717 1.00 0.00 C ATOM 524 O GLY A 37 8.567 -9.745 -1.722 1.00 0.00 O ATOM 0 H GLY A 37 5.985 -11.322 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.273 -11.924 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.751 -11.609 -3.589 1.00 0.00 H new ATOM 528 N TYR A 38 7.178 -8.835 -3.265 1.00 0.00 N ATOM 529 CA TYR A 38 7.307 -7.496 -2.672 1.00 0.00 C ATOM 530 C TYR A 38 5.986 -7.083 -2.013 1.00 0.00 C ATOM 531 O TYR A 38 4.904 -7.358 -2.519 1.00 0.00 O ATOM 532 CB TYR A 38 7.767 -6.498 -3.751 1.00 0.00 C ATOM 533 CG TYR A 38 8.882 -7.101 -4.567 1.00 0.00 C ATOM 534 CD1 TYR A 38 10.010 -7.645 -3.968 1.00 0.00 C ATOM 535 CD2 TYR A 38 8.781 -7.199 -5.943 1.00 0.00 C ATOM 536 CE1 TYR A 38 10.956 -8.318 -4.707 1.00 0.00 C ATOM 537 CE2 TYR A 38 9.725 -7.871 -6.685 1.00 0.00 C ATOM 538 CZ TYR A 38 10.814 -8.456 -6.073 1.00 0.00 C ATOM 539 OH TYR A 38 11.724 -9.186 -6.804 1.00 0.00 O ATOM 0 H TYR A 38 6.562 -8.902 -4.075 1.00 0.00 H new ATOM 0 HA TYR A 38 8.064 -7.504 -1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.930 -6.239 -4.399 1.00 0.00 H new ATOM 0 HB3 TYR A 38 8.106 -5.574 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.148 -7.538 -2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.943 -6.738 -6.446 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.818 -8.742 -4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.612 -7.941 -7.757 1.00 0.00 H new ATOM 0 HH TYR A 38 11.467 -9.177 -7.750 1.00 0.00 H new ATOM 549 N ARG A 39 6.141 -6.416 -0.850 1.00 0.00 N ATOM 550 CA ARG A 39 4.913 -5.944 -0.170 1.00 0.00 C ATOM 551 C ARG A 39 4.584 -4.566 -0.765 1.00 0.00 C ATOM 552 O ARG A 39 5.479 -3.745 -0.941 1.00 0.00 O ATOM 553 CB ARG A 39 5.154 -5.794 1.347 1.00 0.00 C ATOM 554 CG ARG A 39 5.757 -6.999 2.079 1.00 0.00 C ATOM 555 CD ARG A 39 5.457 -6.981 3.603 1.00 0.00 C ATOM 556 NE ARG A 39 4.043 -7.190 3.895 1.00 0.00 N ATOM 557 CZ ARG A 39 3.404 -8.346 3.624 1.00 0.00 C ATOM 558 NH1 ARG A 39 4.045 -9.400 3.132 1.00 0.00 N ATOM 559 NH2 ARG A 39 2.096 -8.405 3.841 1.00 0.00 N ATOM 0 H ARG A 39 7.026 -6.204 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 39 4.100 -6.656 -0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.812 -4.939 1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.202 -5.553 1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.363 -7.918 1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.836 -7.011 1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.045 -7.756 4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.774 -6.026 4.022 1.00 0.00 H new ATOM 0 HE ARG A 39 3.515 -6.429 4.322 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.047 -9.348 2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.535 -10.262 2.937 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.602 -7.590 4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.585 -9.266 3.646 1.00 0.00 H new ATOM 573 N TRP A 40 3.287 -4.341 -1.058 1.00 0.00 N ATOM 574 CA TRP A 40 2.843 -3.061 -1.575 1.00 0.00 C ATOM 575 C TRP A 40 1.925 -2.415 -0.525 1.00 0.00 C ATOM 576 O TRP A 40 1.394 -3.077 0.363 1.00 0.00 O ATOM 577 CB TRP A 40 2.146 -3.217 -2.942 1.00 0.00 C ATOM 578 CG TRP A 40 0.821 -3.965 -2.864 1.00 0.00 C ATOM 579 CD1 TRP A 40 0.654 -5.355 -2.872 1.00 0.00 C ATOM 580 CD2 TRP A 40 -0.513 -3.405 -2.814 1.00 0.00 C ATOM 581 NE1 TRP A 40 -0.667 -5.658 -2.845 1.00 0.00 N ATOM 582 CE2 TRP A 40 -1.413 -4.494 -2.809 1.00 0.00 C ATOM 583 CE3 TRP A 40 -1.003 -2.127 -2.760 1.00 0.00 C ATOM 584 CZ2 TRP A 40 -2.759 -4.277 -2.767 1.00 0.00 C ATOM 585 CZ3 TRP A 40 -2.384 -1.895 -2.711 1.00 0.00 C ATOM 586 CH2 TRP A 40 -3.262 -2.980 -2.717 1.00 0.00 C ATOM 0 H TRP A 40 2.546 -5.032 -0.942 1.00 0.00 H new ATOM 0 HA TRP A 40 3.700 -2.411 -1.752 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.972 -2.229 -3.368 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.813 -3.745 -3.623 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.457 -6.077 -2.896 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.053 -6.602 -2.850 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.319 -1.291 -2.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.438 -5.116 -2.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.766 -0.886 -2.669 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.329 -2.814 -2.683 1.00 0.00 H new ATOM 597 N CYS A 41 1.770 -1.092 -0.680 1.00 0.00 N ATOM 598 CA CYS A 41 0.875 -0.314 0.150 1.00 0.00 C ATOM 599 C CYS A 41 0.042 0.543 -0.801 1.00 0.00 C ATOM 600 O CYS A 41 0.524 0.971 -1.843 1.00 0.00 O ATOM 601 CB CYS A 41 1.674 0.582 1.093 1.00 0.00 C ATOM 602 SG CYS A 41 2.529 1.916 0.197 1.00 0.00 S ATOM 0 H CYS A 41 2.265 -0.545 -1.384 1.00 0.00 H new ATOM 0 HA CYS A 41 0.245 -0.960 0.761 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.005 1.015 1.837 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.405 -0.019 1.633 1.00 0.00 H new ATOM 607 N GLY A 42 -1.217 0.774 -0.415 1.00 0.00 N ATOM 608 CA GLY A 42 -2.044 1.626 -1.250 1.00 0.00 C ATOM 609 C GLY A 42 -1.716 3.086 -0.941 1.00 0.00 C ATOM 610 O GLY A 42 -1.281 3.430 0.155 1.00 0.00 O ATOM 0 H GLY A 42 -1.661 0.403 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.862 1.413 -2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.099 1.428 -1.062 1.00 0.00 H new ATOM 614 N THR A 43 -1.989 3.915 -1.956 1.00 0.00 N ATOM 615 CA THR A 43 -1.888 5.352 -1.778 1.00 0.00 C ATOM 616 C THR A 43 -3.313 5.843 -1.990 1.00 0.00 C ATOM 617 O THR A 43 -4.032 5.329 -2.836 1.00 0.00 O ATOM 618 CB THR A 43 -0.852 5.982 -2.722 1.00 0.00 C ATOM 619 OG1 THR A 43 -0.626 5.209 -3.883 1.00 0.00 O ATOM 620 CG2 THR A 43 0.490 6.126 -1.998 1.00 0.00 C ATOM 0 H THR A 43 -2.275 3.615 -2.888 1.00 0.00 H new ATOM 0 HA THR A 43 -1.516 5.641 -0.795 1.00 0.00 H new ATOM 0 HB THR A 43 -1.258 6.949 -3.019 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.473 4.823 -4.189 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.221 6.573 -2.672 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.365 6.764 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.841 5.143 -1.683 1.00 0.00 H new ATOM 628 N THR A 44 -3.642 6.791 -1.096 1.00 0.00 N ATOM 629 CA THR A 44 -4.974 7.323 -0.864 1.00 0.00 C ATOM 630 C THR A 44 -5.635 6.333 0.101 1.00 0.00 C ATOM 631 O THR A 44 -5.183 5.208 0.292 1.00 0.00 O ATOM 632 CB THR A 44 -5.860 7.612 -2.100 1.00 0.00 C ATOM 633 OG1 THR A 44 -6.599 6.452 -2.443 1.00 0.00 O ATOM 634 CG2 THR A 44 -5.078 8.235 -3.273 1.00 0.00 C ATOM 0 H THR A 44 -2.943 7.221 -0.491 1.00 0.00 H new ATOM 0 HA THR A 44 -4.868 8.331 -0.463 1.00 0.00 H new ATOM 0 HB THR A 44 -6.580 8.387 -1.836 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.155 6.638 -3.229 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.755 8.413 -4.108 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.637 9.180 -2.955 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.288 7.553 -3.586 1.00 0.00 H new ATOM 642 N GLU A 45 -6.723 6.824 0.699 1.00 0.00 N ATOM 643 CA GLU A 45 -7.434 6.017 1.672 1.00 0.00 C ATOM 644 C GLU A 45 -8.125 4.807 1.001 1.00 0.00 C ATOM 645 O GLU A 45 -8.515 3.852 1.667 1.00 0.00 O ATOM 646 CB GLU A 45 -8.440 6.872 2.484 1.00 0.00 C ATOM 647 CG GLU A 45 -8.131 8.387 2.594 1.00 0.00 C ATOM 648 CD GLU A 45 -6.655 8.732 2.876 1.00 0.00 C ATOM 649 OE1 GLU A 45 -6.179 8.463 3.976 1.00 0.00 O ATOM 650 OE2 GLU A 45 -5.999 9.263 1.976 1.00 0.00 O ATOM 0 H GLU A 45 -7.116 7.750 0.529 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.701 5.623 2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.426 6.757 2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.500 6.462 3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.431 8.872 1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.746 8.811 3.388 1.00 0.00 H new ATOM 657 N ASP A 46 -8.304 4.908 -0.343 1.00 0.00 N ATOM 658 CA ASP A 46 -9.024 3.851 -1.053 1.00 0.00 C ATOM 659 C ASP A 46 -8.318 3.439 -2.368 1.00 0.00 C ATOM 660 O ASP A 46 -8.339 4.143 -3.373 1.00 0.00 O ATOM 661 CB ASP A 46 -10.498 4.280 -1.183 1.00 0.00 C ATOM 662 CG ASP A 46 -11.414 3.086 -1.465 1.00 0.00 C ATOM 663 OD1 ASP A 46 -11.271 2.485 -2.528 1.00 0.00 O ATOM 664 OD2 ASP A 46 -12.241 2.763 -0.604 1.00 0.00 O ATOM 0 H ASP A 46 -7.972 5.679 -0.923 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.013 2.920 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.816 4.773 -0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.595 5.010 -1.986 1.00 0.00 H new ATOM 669 N TYR A 47 -7.670 2.249 -2.289 1.00 0.00 N ATOM 670 CA TYR A 47 -6.916 1.744 -3.439 1.00 0.00 C ATOM 671 C TYR A 47 -7.869 1.212 -4.501 1.00 0.00 C ATOM 672 O TYR A 47 -7.625 1.359 -5.692 1.00 0.00 O ATOM 673 CB TYR A 47 -5.969 0.609 -3.007 1.00 0.00 C ATOM 674 CG TYR A 47 -5.199 0.061 -4.173 1.00 0.00 C ATOM 675 CD1 TYR A 47 -4.073 0.712 -4.641 1.00 0.00 C ATOM 676 CD2 TYR A 47 -5.596 -1.114 -4.796 1.00 0.00 C ATOM 677 CE1 TYR A 47 -3.332 0.170 -5.675 1.00 0.00 C ATOM 678 CE2 TYR A 47 -4.840 -1.672 -5.812 1.00 0.00 C ATOM 679 CZ TYR A 47 -3.694 -1.030 -6.256 1.00 0.00 C ATOM 680 OH TYR A 47 -2.903 -1.548 -7.261 1.00 0.00 O ATOM 0 H TYR A 47 -7.659 1.647 -1.466 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.332 2.568 -3.848 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.275 0.980 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.546 -0.191 -2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.770 1.649 -4.197 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.508 -1.600 -4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.457 0.692 -6.034 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.143 -2.607 -6.259 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.959 -1.393 -7.047 1.00 0.00 H new ATOM 690 N ASP A 48 -8.960 0.586 -4.022 1.00 0.00 N ATOM 691 CA ASP A 48 -9.899 0.027 -4.988 1.00 0.00 C ATOM 692 C ASP A 48 -10.393 1.115 -5.963 1.00 0.00 C ATOM 693 O ASP A 48 -10.589 0.887 -7.153 1.00 0.00 O ATOM 694 CB ASP A 48 -11.116 -0.618 -4.294 1.00 0.00 C ATOM 695 CG ASP A 48 -10.722 -1.874 -3.506 1.00 0.00 C ATOM 696 OD1 ASP A 48 -10.108 -2.770 -4.083 1.00 0.00 O ATOM 697 OD2 ASP A 48 -11.036 -1.963 -2.323 1.00 0.00 O ATOM 0 H ASP A 48 -9.197 0.463 -3.038 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.363 -0.745 -5.541 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.576 0.105 -3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.865 -0.878 -5.042 1.00 0.00 H new ATOM 702 N ARG A 49 -10.569 2.319 -5.394 1.00 0.00 N ATOM 703 CA ARG A 49 -10.976 3.467 -6.191 1.00 0.00 C ATOM 704 C ARG A 49 -9.844 3.971 -7.132 1.00 0.00 C ATOM 705 O ARG A 49 -10.029 3.980 -8.347 1.00 0.00 O ATOM 706 CB ARG A 49 -11.507 4.548 -5.236 1.00 0.00 C ATOM 707 CG ARG A 49 -11.974 5.857 -5.897 1.00 0.00 C ATOM 708 CD ARG A 49 -10.924 6.989 -5.793 1.00 0.00 C ATOM 709 NE ARG A 49 -11.561 8.220 -5.333 1.00 0.00 N ATOM 710 CZ ARG A 49 -10.874 9.366 -5.117 1.00 0.00 C ATOM 711 NH1 ARG A 49 -9.559 9.423 -5.286 1.00 0.00 N ATOM 712 NH2 ARG A 49 -11.534 10.454 -4.724 1.00 0.00 N ATOM 0 H ARG A 49 -10.436 2.512 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.776 3.179 -6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.341 4.130 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.724 4.786 -4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.196 5.669 -6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.902 6.184 -5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.132 6.699 -5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.456 7.153 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.567 8.216 -5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.047 8.593 -5.584 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.061 10.297 -5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.544 10.417 -4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.029 11.324 -4.557 1.00 0.00 H new ATOM 726 N ASP A 50 -8.709 4.397 -6.535 1.00 0.00 N ATOM 727 CA ASP A 50 -7.615 5.026 -7.304 1.00 0.00 C ATOM 728 C ASP A 50 -6.682 4.092 -8.121 1.00 0.00 C ATOM 729 O ASP A 50 -6.258 4.444 -9.213 1.00 0.00 O ATOM 730 CB ASP A 50 -6.751 5.888 -6.361 1.00 0.00 C ATOM 731 CG ASP A 50 -7.533 7.139 -5.937 1.00 0.00 C ATOM 732 OD1 ASP A 50 -7.889 7.942 -6.794 1.00 0.00 O ATOM 733 OD2 ASP A 50 -7.811 7.326 -4.759 1.00 0.00 O ATOM 0 H ASP A 50 -8.528 4.318 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.140 5.610 -8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.468 5.309 -5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.828 6.178 -6.862 1.00 0.00 H new ATOM 738 N LYS A 51 -6.325 2.938 -7.534 1.00 0.00 N ATOM 739 CA LYS A 51 -5.405 1.966 -8.132 1.00 0.00 C ATOM 740 C LYS A 51 -3.968 2.480 -8.310 1.00 0.00 C ATOM 741 O LYS A 51 -3.315 2.179 -9.303 1.00 0.00 O ATOM 742 CB LYS A 51 -5.861 1.367 -9.480 1.00 0.00 C ATOM 743 CG LYS A 51 -7.219 0.640 -9.415 1.00 0.00 C ATOM 744 CD LYS A 51 -8.410 1.584 -9.243 1.00 0.00 C ATOM 745 CE LYS A 51 -9.690 1.077 -9.913 1.00 0.00 C ATOM 746 NZ LYS A 51 -10.837 1.871 -9.492 1.00 0.00 N ATOM 0 H LYS A 51 -6.674 2.653 -6.619 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.421 1.177 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.923 2.166 -10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.102 0.667 -9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.355 0.059 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.204 -0.067 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.599 1.729 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.154 2.559 -9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.584 1.127 -10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.851 0.030 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.585 1.810 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.198 1.507 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.548 2.863 -9.376 1.00 0.00 H new ATOM 760 N LYS A 52 -3.480 3.222 -7.300 1.00 0.00 N ATOM 761 CA LYS A 52 -2.073 3.615 -7.342 1.00 0.00 C ATOM 762 C LYS A 52 -1.472 3.199 -5.994 1.00 0.00 C ATOM 763 O LYS A 52 -2.116 3.340 -4.956 1.00 0.00 O ATOM 764 CB LYS A 52 -1.900 5.115 -7.676 1.00 0.00 C ATOM 765 CG LYS A 52 -2.502 5.553 -9.038 1.00 0.00 C ATOM 766 CD LYS A 52 -1.586 5.327 -10.266 1.00 0.00 C ATOM 767 CE LYS A 52 -0.439 6.345 -10.403 1.00 0.00 C ATOM 768 NZ LYS A 52 -0.786 7.545 -11.152 1.00 0.00 N ATOM 0 H LYS A 52 -4.009 3.544 -6.490 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.538 3.114 -8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.362 5.705 -6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.836 5.353 -7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.435 5.012 -9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.754 6.612 -8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.161 4.325 -10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.195 5.361 -11.169 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.107 6.637 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.406 5.859 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.083 8.043 -11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.322 7.280 -12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.367 8.170 -10.557 1.00 0.00 H new ATOM 782 N TYR A 53 -0.257 2.613 -6.072 1.00 0.00 N ATOM 783 CA TYR A 53 0.392 2.038 -4.904 1.00 0.00 C ATOM 784 C TYR A 53 1.890 2.343 -4.890 1.00 0.00 C ATOM 785 O TYR A 53 2.489 2.777 -5.864 1.00 0.00 O ATOM 786 CB TYR A 53 0.232 0.498 -4.925 1.00 0.00 C ATOM 787 CG TYR A 53 0.984 -0.179 -6.048 1.00 0.00 C ATOM 788 CD1 TYR A 53 0.385 -0.387 -7.283 1.00 0.00 C ATOM 789 CD2 TYR A 53 2.293 -0.615 -5.863 1.00 0.00 C ATOM 790 CE1 TYR A 53 1.064 -1.036 -8.305 1.00 0.00 C ATOM 791 CE2 TYR A 53 2.979 -1.254 -6.883 1.00 0.00 C ATOM 792 CZ TYR A 53 2.360 -1.484 -8.100 1.00 0.00 C ATOM 793 OH TYR A 53 3.037 -2.186 -9.082 1.00 0.00 O ATOM 0 H TYR A 53 0.281 2.533 -6.935 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.078 2.474 -4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.577 0.093 -3.974 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.827 0.253 -5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.623 -0.039 -7.451 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.780 -0.453 -4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.583 -1.192 -9.259 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.999 -1.573 -6.729 1.00 0.00 H new ATOM 0 HH TYR A 53 3.989 -2.230 -8.855 1.00 0.00 H new ATOM 803 N GLY A 54 2.451 2.019 -3.721 1.00 0.00 N ATOM 804 CA GLY A 54 3.887 2.131 -3.480 1.00 0.00 C ATOM 805 C GLY A 54 4.408 0.803 -2.914 1.00 0.00 C ATOM 806 O GLY A 54 3.609 -0.092 -2.651 1.00 0.00 O ATOM 0 H GLY A 54 1.922 1.673 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.406 2.373 -4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.088 2.942 -2.781 1.00 0.00 H new ATOM 810 N PHE A 55 5.750 0.707 -2.715 1.00 0.00 N ATOM 811 CA PHE A 55 6.280 -0.520 -2.108 1.00 0.00 C ATOM 812 C PHE A 55 6.537 -0.246 -0.624 1.00 0.00 C ATOM 813 O PHE A 55 6.611 0.884 -0.167 1.00 0.00 O ATOM 814 CB PHE A 55 7.535 -1.081 -2.799 1.00 0.00 C ATOM 815 CG PHE A 55 7.223 -1.660 -4.150 1.00 0.00 C ATOM 816 CD1 PHE A 55 6.334 -2.722 -4.281 1.00 0.00 C ATOM 817 CD2 PHE A 55 7.826 -1.147 -5.289 1.00 0.00 C ATOM 818 CE1 PHE A 55 6.047 -3.248 -5.531 1.00 0.00 C ATOM 819 CE2 PHE A 55 7.539 -1.671 -6.541 1.00 0.00 C ATOM 820 CZ PHE A 55 6.648 -2.724 -6.666 1.00 0.00 C ATOM 0 H PHE A 55 6.438 1.421 -2.952 1.00 0.00 H new ATOM 0 HA PHE A 55 5.531 -1.302 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.275 -0.288 -2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.982 -1.850 -2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.864 -3.140 -3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.527 -0.330 -5.200 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.352 -4.070 -5.622 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.011 -1.257 -7.420 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.423 -3.134 -7.640 1.00 0.00 H new ATOM 830 N CYS A 56 6.578 -1.380 0.085 1.00 0.00 N ATOM 831 CA CYS A 56 6.670 -1.381 1.556 1.00 0.00 C ATOM 832 C CYS A 56 7.858 -2.307 1.881 1.00 0.00 C ATOM 833 O CYS A 56 8.372 -2.979 0.993 1.00 0.00 O ATOM 834 CB CYS A 56 5.334 -1.976 2.085 1.00 0.00 C ATOM 835 SG CYS A 56 4.367 -0.994 3.269 1.00 0.00 S ATOM 0 H CYS A 56 6.549 -2.310 -0.333 1.00 0.00 H new ATOM 0 HA CYS A 56 6.820 -0.398 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.697 -2.182 1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.558 -2.935 2.552 1.00 0.00 H new ATOM 840 N PRO A 57 8.283 -2.338 3.176 1.00 0.00 N ATOM 841 CA PRO A 57 9.309 -3.296 3.602 1.00 0.00 C ATOM 842 C PRO A 57 8.702 -4.719 3.694 1.00 0.00 C ATOM 843 O PRO A 57 7.675 -4.997 3.096 1.00 0.00 O ATOM 844 CB PRO A 57 9.733 -2.737 4.974 1.00 0.00 C ATOM 845 CG PRO A 57 8.498 -1.998 5.497 1.00 0.00 C ATOM 846 CD PRO A 57 7.812 -1.450 4.242 1.00 0.00 C ATOM 0 HA PRO A 57 10.153 -3.397 2.920 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.031 -3.537 5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.586 -2.064 4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.839 -2.669 6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.777 -1.194 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.726 -1.476 4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.091 -0.413 4.053 1.00 0.00 H new ATOM 854 N GLU A 58 9.366 -5.577 4.495 1.00 0.00 N ATOM 855 CA GLU A 58 8.914 -6.948 4.737 1.00 0.00 C ATOM 856 C GLU A 58 9.492 -7.348 6.100 1.00 0.00 C ATOM 857 O GLU A 58 8.856 -7.208 7.136 1.00 0.00 O ATOM 858 CB GLU A 58 9.325 -7.875 3.564 1.00 0.00 C ATOM 859 CG GLU A 58 9.007 -9.380 3.736 1.00 0.00 C ATOM 860 CD GLU A 58 7.506 -9.690 3.881 1.00 0.00 C ATOM 861 OE1 GLU A 58 6.798 -9.779 2.876 1.00 0.00 O ATOM 862 OE2 GLU A 58 7.040 -9.831 5.008 1.00 0.00 O ATOM 0 H GLU A 58 10.226 -5.333 4.987 1.00 0.00 H new ATOM 0 HA GLU A 58 7.828 -7.037 4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.830 -7.522 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.398 -7.768 3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.399 -9.924 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.531 -9.753 4.616 1.00 0.00 H new ATOM 869 N THR A 59 10.758 -7.792 6.049 1.00 0.00 N ATOM 870 CA THR A 59 11.468 -8.126 7.269 1.00 0.00 C ATOM 871 C THR A 59 11.926 -6.813 7.926 1.00 0.00 C ATOM 872 O THR A 59 12.977 -6.282 7.578 1.00 0.00 O ATOM 873 CB THR A 59 12.694 -8.950 6.847 1.00 0.00 C ATOM 874 OG1 THR A 59 13.374 -8.257 5.813 1.00 0.00 O ATOM 875 CG2 THR A 59 12.304 -10.325 6.296 1.00 0.00 C ATOM 0 H THR A 59 11.292 -7.922 5.190 1.00 0.00 H new ATOM 0 HA THR A 59 10.849 -8.685 7.971 1.00 0.00 H new ATOM 0 HB THR A 59 13.317 -9.088 7.731 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.476 -7.315 6.063 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.203 -10.871 6.011 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.767 -10.885 7.062 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.664 -10.199 5.423 1.00 0.00 H new ATOM 883 N ALA A 60 11.085 -6.334 8.854 1.00 0.00 N ATOM 884 CA ALA A 60 11.338 -5.098 9.574 1.00 0.00 C ATOM 885 C ALA A 60 10.531 -5.131 10.882 1.00 0.00 C ATOM 886 O ALA A 60 9.661 -5.994 11.016 1.00 0.00 O ATOM 887 CB ALA A 60 10.916 -3.901 8.710 1.00 0.00 C ATOM 888 OXT ALA A 60 10.783 -4.298 11.751 1.00 0.00 O ATOM 0 H ALA A 60 10.216 -6.798 9.119 1.00 0.00 H new ATOM 0 HA ALA A 60 12.399 -4.997 9.800 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.107 -2.975 9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.488 -3.902 7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.853 -3.975 8.481 1.00 0.00 H new TER 894 ALA A 60