USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=20 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= 0.609 K(o=1.2,f=0.31) USER MOD Set 1.2: A 26 TYR OH : rot -147:sc= 0.543 USER MOD Single : A 1 THR N :NH3+ -157:sc= -0.738 (180deg=-1.77!) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00505 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 6 MET CE :methyl 179:sc= -0.0257 (180deg=-0.0296) USER MOD Single : A 9 ASN : amide:sc= 0.153 K(o=0.15,f=-12!) USER MOD Single : A 13 GLN : amide:sc= -0.179 K(o=-0.18,f=-4.5!) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 2.28 (180deg=2.2) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 33:sc= 0.641 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 154:sc= 0.768 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.149 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 -120:sc= -1.3 USER MOD Single : A 44 THR OG1 : rot 86:sc= 0.727 USER MOD Single : A 47 TYR OH : rot 8:sc= 0.0488 USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= 1.93 (180deg=0.519) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 1.78 (180deg=1.17) USER MOD Single : A 53 TYR OH : rot 167:sc= 0.829 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0235 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 8.231 3.700 9.720 1.00 0.00 N ATOM 2 CA THR A 1 7.363 4.684 9.115 1.00 0.00 C ATOM 3 C THR A 1 8.039 5.386 7.932 1.00 0.00 C ATOM 4 O THR A 1 8.074 6.606 7.869 1.00 0.00 O ATOM 5 CB THR A 1 6.967 5.643 10.252 1.00 0.00 C ATOM 6 OG1 THR A 1 7.022 4.856 11.440 1.00 0.00 O ATOM 7 CG2 THR A 1 5.569 6.245 10.034 1.00 0.00 C ATOM 0 H1 THR A 1 7.657 2.996 10.227 1.00 0.00 H new ATOM 0 H2 THR A 1 8.787 3.226 8.980 1.00 0.00 H new ATOM 0 H3 THR A 1 8.874 4.169 10.389 1.00 0.00 H new ATOM 0 HA THR A 1 6.473 4.230 8.678 1.00 0.00 H new ATOM 0 HB THR A 1 7.638 6.500 10.304 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.780 5.410 12.211 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.329 6.916 10.859 1.00 0.00 H new ATOM 0 HG22 THR A 1 5.555 6.802 9.097 1.00 0.00 H new ATOM 0 HG23 THR A 1 4.831 5.444 9.991 1.00 0.00 H new ATOM 17 N ALA A 2 8.595 4.561 7.016 1.00 0.00 N ATOM 18 CA ALA A 2 9.292 5.158 5.877 1.00 0.00 C ATOM 19 C ALA A 2 9.326 4.208 4.665 1.00 0.00 C ATOM 20 O ALA A 2 10.310 3.523 4.416 1.00 0.00 O ATOM 21 CB ALA A 2 10.720 5.531 6.303 1.00 0.00 C ATOM 0 H ALA A 2 8.575 3.542 7.044 1.00 0.00 H new ATOM 0 HA ALA A 2 8.749 6.052 5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.247 5.977 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.680 6.246 7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.249 4.635 6.628 1.00 0.00 H new ATOM 27 N LEU A 3 8.208 4.236 3.912 1.00 0.00 N ATOM 28 CA LEU A 3 8.082 3.497 2.668 1.00 0.00 C ATOM 29 C LEU A 3 7.626 4.556 1.644 1.00 0.00 C ATOM 30 O LEU A 3 6.510 5.054 1.707 1.00 0.00 O ATOM 31 CB LEU A 3 7.177 2.241 2.781 1.00 0.00 C ATOM 32 CG LEU A 3 6.161 2.149 3.946 1.00 0.00 C ATOM 33 CD1 LEU A 3 6.779 1.986 5.343 1.00 0.00 C ATOM 34 CD2 LEU A 3 5.109 3.257 3.921 1.00 0.00 C ATOM 0 H LEU A 3 7.377 4.774 4.160 1.00 0.00 H new ATOM 0 HA LEU A 3 9.020 3.039 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.618 2.154 1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.829 1.370 2.844 1.00 0.00 H new ATOM 0 HG LEU A 3 5.648 1.208 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.985 1.931 6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.370 1.071 5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.421 2.840 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.430 3.133 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.601 4.227 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.545 3.202 2.990 1.00 0.00 H new ATOM 46 N PHE A 4 8.585 4.920 0.760 1.00 0.00 N ATOM 47 CA PHE A 4 8.367 5.993 -0.214 1.00 0.00 C ATOM 48 C PHE A 4 7.573 5.420 -1.426 1.00 0.00 C ATOM 49 O PHE A 4 6.373 5.215 -1.303 1.00 0.00 O ATOM 50 CB PHE A 4 9.698 6.792 -0.405 1.00 0.00 C ATOM 51 CG PHE A 4 10.200 7.280 0.932 1.00 0.00 C ATOM 52 CD1 PHE A 4 9.643 8.407 1.531 1.00 0.00 C ATOM 53 CD2 PHE A 4 11.226 6.606 1.592 1.00 0.00 C ATOM 54 CE1 PHE A 4 10.101 8.849 2.766 1.00 0.00 C ATOM 55 CE2 PHE A 4 11.685 7.046 2.825 1.00 0.00 C ATOM 56 CZ PHE A 4 11.122 8.169 3.415 1.00 0.00 C ATOM 0 H PHE A 4 9.506 4.485 0.708 1.00 0.00 H new ATOM 0 HA PHE A 4 7.701 6.794 0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.449 6.158 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.532 7.638 -1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.849 8.942 1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.669 5.731 1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.661 9.724 3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.481 6.515 3.326 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.477 8.512 4.375 1.00 0.00 H new ATOM 66 N THR A 5 8.239 5.146 -2.565 1.00 0.00 N ATOM 67 CA THR A 5 7.596 4.512 -3.718 1.00 0.00 C ATOM 68 C THR A 5 8.440 3.315 -4.143 1.00 0.00 C ATOM 69 O THR A 5 7.978 2.199 -4.313 1.00 0.00 O ATOM 70 CB THR A 5 7.444 5.506 -4.871 1.00 0.00 C ATOM 71 OG1 THR A 5 8.730 6.083 -5.095 1.00 0.00 O ATOM 72 CG2 THR A 5 6.373 6.552 -4.527 1.00 0.00 C ATOM 0 H THR A 5 9.227 5.358 -2.705 1.00 0.00 H new ATOM 0 HA THR A 5 6.595 4.178 -3.443 1.00 0.00 H new ATOM 0 HB THR A 5 7.106 5.020 -5.786 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.676 6.728 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.272 7.255 -5.354 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.419 6.053 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.667 7.091 -3.626 1.00 0.00 H new ATOM 80 N MET A 6 9.736 3.651 -4.260 1.00 0.00 N ATOM 81 CA MET A 6 10.797 2.704 -4.602 1.00 0.00 C ATOM 82 C MET A 6 10.385 1.841 -5.815 1.00 0.00 C ATOM 83 O MET A 6 10.497 0.622 -5.846 1.00 0.00 O ATOM 84 CB MET A 6 11.289 1.919 -3.361 1.00 0.00 C ATOM 85 CG MET A 6 10.197 1.417 -2.399 1.00 0.00 C ATOM 86 SD MET A 6 10.903 0.523 -1.000 1.00 0.00 S ATOM 87 CE MET A 6 10.395 1.635 0.327 1.00 0.00 C ATOM 0 H MET A 6 10.075 4.602 -4.117 1.00 0.00 H new ATOM 0 HA MET A 6 11.681 3.252 -4.929 1.00 0.00 H new ATOM 0 HB2 MET A 6 11.864 1.060 -3.705 1.00 0.00 H new ATOM 0 HB3 MET A 6 11.973 2.557 -2.801 1.00 0.00 H new ATOM 0 HG2 MET A 6 9.616 2.264 -2.034 1.00 0.00 H new ATOM 0 HG3 MET A 6 9.508 0.766 -2.937 1.00 0.00 H new ATOM 0 HE1 MET A 6 10.729 1.236 1.284 1.00 0.00 H new ATOM 0 HE2 MET A 6 10.839 2.618 0.168 1.00 0.00 H new ATOM 0 HE3 MET A 6 9.309 1.725 0.331 1.00 0.00 H new ATOM 97 N GLY A 7 9.897 2.611 -6.806 1.00 0.00 N ATOM 98 CA GLY A 7 9.378 2.073 -8.051 1.00 0.00 C ATOM 99 C GLY A 7 7.855 2.206 -8.016 1.00 0.00 C ATOM 100 O GLY A 7 7.297 2.896 -7.170 1.00 0.00 O ATOM 0 H GLY A 7 9.857 3.629 -6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.790 2.615 -8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.668 1.029 -8.167 1.00 0.00 H new ATOM 104 N GLY A 8 7.223 1.491 -8.964 1.00 0.00 N ATOM 105 CA GLY A 8 5.755 1.538 -9.027 1.00 0.00 C ATOM 106 C GLY A 8 5.338 2.672 -9.987 1.00 0.00 C ATOM 107 O GLY A 8 6.121 3.033 -10.857 1.00 0.00 O ATOM 0 H GLY A 8 7.678 0.903 -9.662 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.361 0.583 -9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.339 1.711 -8.034 1.00 0.00 H new ATOM 111 N ASN A 9 4.098 3.200 -9.831 1.00 0.00 N ATOM 112 CA ASN A 9 3.602 4.259 -10.710 1.00 0.00 C ATOM 113 C ASN A 9 3.153 5.478 -9.852 1.00 0.00 C ATOM 114 O ASN A 9 3.962 6.068 -9.145 1.00 0.00 O ATOM 115 CB ASN A 9 2.619 3.634 -11.742 1.00 0.00 C ATOM 116 CG ASN A 9 1.314 3.004 -11.191 1.00 0.00 C ATOM 117 OD1 ASN A 9 0.800 3.410 -10.162 1.00 0.00 O ATOM 118 ND2 ASN A 9 0.756 2.024 -11.921 1.00 0.00 N ATOM 0 H ASN A 9 3.439 2.906 -9.110 1.00 0.00 H new ATOM 0 HA ASN A 9 4.362 4.707 -11.350 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.343 4.409 -12.457 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.157 2.865 -12.297 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.121 1.599 -11.619 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.209 1.705 -12.777 1.00 0.00 H new ATOM 125 N ALA A 10 1.858 5.848 -9.951 1.00 0.00 N ATOM 126 CA ALA A 10 1.274 6.931 -9.121 1.00 0.00 C ATOM 127 C ALA A 10 2.025 8.269 -9.195 1.00 0.00 C ATOM 128 O ALA A 10 1.971 9.069 -8.271 1.00 0.00 O ATOM 129 CB ALA A 10 1.215 6.467 -7.658 1.00 0.00 C ATOM 0 H ALA A 10 1.196 5.415 -10.595 1.00 0.00 H new ATOM 0 HA ALA A 10 0.280 7.120 -9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.787 7.258 -7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.595 5.574 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.222 6.239 -7.308 1.00 0.00 H new ATOM 135 N GLU A 11 2.727 8.472 -10.325 1.00 0.00 N ATOM 136 CA GLU A 11 3.475 9.710 -10.535 1.00 0.00 C ATOM 137 C GLU A 11 4.508 9.978 -9.404 1.00 0.00 C ATOM 138 O GLU A 11 4.872 11.111 -9.121 1.00 0.00 O ATOM 139 CB GLU A 11 2.484 10.874 -10.749 1.00 0.00 C ATOM 140 CG GLU A 11 3.085 12.082 -11.487 1.00 0.00 C ATOM 141 CD GLU A 11 1.996 13.131 -11.762 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.616 13.843 -10.833 1.00 0.00 O ATOM 143 OE2 GLU A 11 1.538 13.220 -12.901 1.00 0.00 O ATOM 0 H GLU A 11 2.788 7.802 -11.092 1.00 0.00 H new ATOM 0 HA GLU A 11 4.078 9.612 -11.438 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.626 10.508 -11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.111 11.203 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.882 12.523 -10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.533 11.758 -12.426 1.00 0.00 H new ATOM 150 N GLY A 12 4.971 8.870 -8.777 1.00 0.00 N ATOM 151 CA GLY A 12 5.976 9.017 -7.713 1.00 0.00 C ATOM 152 C GLY A 12 5.344 9.388 -6.352 1.00 0.00 C ATOM 153 O GLY A 12 6.067 9.658 -5.401 1.00 0.00 O ATOM 0 H GLY A 12 4.679 7.914 -8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.531 8.085 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.694 9.786 -7.999 1.00 0.00 H new ATOM 157 N GLN A 13 3.993 9.386 -6.271 1.00 0.00 N ATOM 158 CA GLN A 13 3.363 9.678 -4.979 1.00 0.00 C ATOM 159 C GLN A 13 3.681 8.515 -4.001 1.00 0.00 C ATOM 160 O GLN A 13 3.605 7.359 -4.392 1.00 0.00 O ATOM 161 CB GLN A 13 1.834 9.830 -5.130 1.00 0.00 C ATOM 162 CG GLN A 13 1.381 11.080 -5.920 1.00 0.00 C ATOM 163 CD GLN A 13 1.633 12.382 -5.133 1.00 0.00 C ATOM 164 OE1 GLN A 13 2.163 12.373 -4.031 1.00 0.00 O ATOM 165 NE2 GLN A 13 1.185 13.499 -5.727 1.00 0.00 N ATOM 0 H GLN A 13 3.354 9.196 -7.043 1.00 0.00 H new ATOM 0 HA GLN A 13 3.757 10.618 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.442 8.942 -5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.387 9.864 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.914 11.121 -6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.320 10.997 -6.153 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.751 13.448 -6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.279 14.399 -5.257 1.00 0.00 H new ATOM 174 N PRO A 14 4.055 8.846 -2.731 1.00 0.00 N ATOM 175 CA PRO A 14 4.470 7.841 -1.745 1.00 0.00 C ATOM 176 C PRO A 14 3.301 6.953 -1.287 1.00 0.00 C ATOM 177 O PRO A 14 2.141 7.296 -1.479 1.00 0.00 O ATOM 178 CB PRO A 14 5.030 8.672 -0.583 1.00 0.00 C ATOM 179 CG PRO A 14 4.325 10.029 -0.694 1.00 0.00 C ATOM 180 CD PRO A 14 4.078 10.205 -2.194 1.00 0.00 C ATOM 0 HA PRO A 14 5.199 7.143 -2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.825 8.198 0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.112 8.781 -0.660 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.390 10.039 -0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.944 10.833 -0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.136 10.720 -2.382 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.865 10.800 -2.657 1.00 0.00 H new ATOM 188 N CYS A 15 3.668 5.805 -0.670 1.00 0.00 N ATOM 189 CA CYS A 15 2.663 4.861 -0.175 1.00 0.00 C ATOM 190 C CYS A 15 1.581 5.577 0.656 1.00 0.00 C ATOM 191 O CYS A 15 1.860 6.466 1.452 1.00 0.00 O ATOM 192 CB CYS A 15 3.317 3.860 0.780 1.00 0.00 C ATOM 193 SG CYS A 15 4.345 2.600 -0.023 1.00 0.00 S ATOM 0 H CYS A 15 4.635 5.522 -0.510 1.00 0.00 H new ATOM 0 HA CYS A 15 2.227 4.379 -1.050 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.931 4.409 1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.535 3.360 1.351 1.00 0.00 H new ATOM 198 N LYS A 16 0.338 5.127 0.408 1.00 0.00 N ATOM 199 CA LYS A 16 -0.831 5.692 1.054 1.00 0.00 C ATOM 200 C LYS A 16 -1.518 4.574 1.843 1.00 0.00 C ATOM 201 O LYS A 16 -2.004 3.592 1.301 1.00 0.00 O ATOM 202 CB LYS A 16 -1.727 6.281 -0.054 1.00 0.00 C ATOM 203 CG LYS A 16 -2.909 7.187 0.367 1.00 0.00 C ATOM 204 CD LYS A 16 -2.571 8.208 1.461 1.00 0.00 C ATOM 205 CE LYS A 16 -2.649 7.590 2.860 1.00 0.00 C ATOM 206 NZ LYS A 16 -3.550 8.196 3.829 1.00 0.00 N ATOM 0 H LYS A 16 0.130 4.368 -0.241 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.589 6.490 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.090 6.855 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.133 5.450 -0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.271 7.721 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.727 6.557 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.569 8.602 1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.260 9.051 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.936 6.544 2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.646 7.601 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.522 7.653 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.254 9.176 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.519 8.193 3.451 1.00 0.00 H new ATOM 220 N PHE A 17 -1.516 4.802 3.166 1.00 0.00 N ATOM 221 CA PHE A 17 -2.158 3.906 4.118 1.00 0.00 C ATOM 222 C PHE A 17 -3.266 4.746 4.802 1.00 0.00 C ATOM 223 O PHE A 17 -3.066 5.937 5.056 1.00 0.00 O ATOM 224 CB PHE A 17 -1.141 3.427 5.184 1.00 0.00 C ATOM 225 CG PHE A 17 0.026 2.599 4.689 1.00 0.00 C ATOM 226 CD1 PHE A 17 0.051 1.976 3.444 1.00 0.00 C ATOM 227 CD2 PHE A 17 1.131 2.433 5.517 1.00 0.00 C ATOM 228 CE1 PHE A 17 1.143 1.224 3.041 1.00 0.00 C ATOM 229 CE2 PHE A 17 2.225 1.682 5.116 1.00 0.00 C ATOM 230 CZ PHE A 17 2.238 1.074 3.873 1.00 0.00 C ATOM 0 H PHE A 17 -1.069 5.612 3.596 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.557 3.021 3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.743 4.305 5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.680 2.843 5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.795 2.081 2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.137 2.898 6.492 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.139 0.751 2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.072 1.571 5.777 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.090 0.491 3.557 1.00 0.00 H new ATOM 240 N PRO A 18 -4.447 4.133 5.072 1.00 0.00 N ATOM 241 CA PRO A 18 -4.878 2.817 4.591 1.00 0.00 C ATOM 242 C PRO A 18 -5.348 2.911 3.123 1.00 0.00 C ATOM 243 O PRO A 18 -5.979 3.886 2.735 1.00 0.00 O ATOM 244 CB PRO A 18 -6.079 2.483 5.485 1.00 0.00 C ATOM 245 CG PRO A 18 -6.664 3.846 5.869 1.00 0.00 C ATOM 246 CD PRO A 18 -5.460 4.793 5.894 1.00 0.00 C ATOM 0 HA PRO A 18 -4.082 2.074 4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.810 1.873 4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.773 1.920 6.367 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.411 4.174 5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.157 3.806 6.841 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.719 5.772 5.492 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.102 4.951 6.911 1.00 0.00 H new ATOM 254 N PHE A 19 -5.016 1.868 2.339 1.00 0.00 N ATOM 255 CA PHE A 19 -5.465 1.779 0.953 1.00 0.00 C ATOM 256 C PHE A 19 -6.476 0.620 0.894 1.00 0.00 C ATOM 257 O PHE A 19 -6.239 -0.464 1.411 1.00 0.00 O ATOM 258 CB PHE A 19 -4.340 1.608 -0.089 1.00 0.00 C ATOM 259 CG PHE A 19 -3.437 0.365 0.130 1.00 0.00 C ATOM 260 CD1 PHE A 19 -2.533 0.319 1.216 1.00 0.00 C ATOM 261 CD2 PHE A 19 -3.436 -0.748 -0.744 1.00 0.00 C ATOM 262 CE1 PHE A 19 -1.611 -0.747 1.356 1.00 0.00 C ATOM 263 CE2 PHE A 19 -2.533 -1.789 -0.589 1.00 0.00 C ATOM 264 CZ PHE A 19 -1.609 -1.779 0.438 1.00 0.00 C ATOM 0 H PHE A 19 -4.441 1.084 2.647 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.916 2.731 0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.788 1.544 -1.081 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.715 2.501 -0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.546 1.110 1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.154 -0.788 -1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.911 -0.753 2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.552 -2.619 -1.280 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.886 -2.577 0.523 1.00 0.00 H new ATOM 274 N ARG A 20 -7.634 0.923 0.283 1.00 0.00 N ATOM 275 CA ARG A 20 -8.733 -0.030 0.203 1.00 0.00 C ATOM 276 C ARG A 20 -8.679 -0.698 -1.184 1.00 0.00 C ATOM 277 O ARG A 20 -8.694 -0.021 -2.207 1.00 0.00 O ATOM 278 CB ARG A 20 -10.039 0.757 0.438 1.00 0.00 C ATOM 279 CG ARG A 20 -11.201 -0.049 1.036 1.00 0.00 C ATOM 280 CD ARG A 20 -11.787 -1.170 0.124 1.00 0.00 C ATOM 281 NE ARG A 20 -11.782 -0.872 -1.332 1.00 0.00 N ATOM 282 CZ ARG A 20 -12.344 0.224 -1.881 1.00 0.00 C ATOM 283 NH1 ARG A 20 -12.927 1.167 -1.156 1.00 0.00 N ATOM 284 NH2 ARG A 20 -12.283 0.365 -3.190 1.00 0.00 N ATOM 0 H ARG A 20 -7.825 1.822 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.671 -0.819 0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.823 1.595 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.364 1.178 -0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.862 -0.504 1.967 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.004 0.642 1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.220 -2.086 0.293 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.813 -1.368 0.434 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.325 -1.538 -1.955 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.963 1.080 -0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.340 1.980 -1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.820 -0.344 -3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.699 1.183 -3.635 1.00 0.00 H new ATOM 298 N PHE A 21 -8.589 -2.041 -1.154 1.00 0.00 N ATOM 299 CA PHE A 21 -8.465 -2.862 -2.358 1.00 0.00 C ATOM 300 C PHE A 21 -9.323 -4.116 -2.133 1.00 0.00 C ATOM 301 O PHE A 21 -9.421 -4.617 -1.025 1.00 0.00 O ATOM 302 CB PHE A 21 -6.979 -3.220 -2.510 1.00 0.00 C ATOM 303 CG PHE A 21 -6.699 -4.297 -3.525 1.00 0.00 C ATOM 304 CD1 PHE A 21 -7.125 -4.168 -4.837 1.00 0.00 C ATOM 305 CD2 PHE A 21 -5.989 -5.433 -3.165 1.00 0.00 C ATOM 306 CE1 PHE A 21 -6.787 -5.114 -5.797 1.00 0.00 C ATOM 307 CE2 PHE A 21 -5.650 -6.391 -4.112 1.00 0.00 C ATOM 308 CZ PHE A 21 -6.035 -6.225 -5.436 1.00 0.00 C ATOM 0 H PHE A 21 -8.601 -2.582 -0.289 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.802 -2.355 -3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.428 -2.322 -2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.594 -3.541 -1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.730 -3.318 -5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.696 -5.574 -2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.108 -4.986 -6.820 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.087 -7.265 -3.819 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.752 -6.955 -6.180 1.00 0.00 H new ATOM 318 N GLN A 22 -9.967 -4.582 -3.211 1.00 0.00 N ATOM 319 CA GLN A 22 -10.861 -5.739 -3.184 1.00 0.00 C ATOM 320 C GLN A 22 -11.980 -5.612 -2.112 1.00 0.00 C ATOM 321 O GLN A 22 -12.544 -6.607 -1.677 1.00 0.00 O ATOM 322 CB GLN A 22 -10.119 -7.094 -2.969 1.00 0.00 C ATOM 323 CG GLN A 22 -9.015 -7.462 -3.989 1.00 0.00 C ATOM 324 CD GLN A 22 -8.162 -8.668 -3.537 1.00 0.00 C ATOM 325 OE1 GLN A 22 -8.002 -9.616 -4.293 1.00 0.00 O ATOM 326 NE2 GLN A 22 -7.647 -8.636 -2.300 1.00 0.00 N ATOM 0 H GLN A 22 -9.879 -4.159 -4.135 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.312 -5.744 -4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.671 -7.080 -1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.862 -7.891 -2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.476 -7.688 -4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.366 -6.600 -4.142 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.805 -7.825 -1.703 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.097 -9.423 -1.956 1.00 0.00 H new ATOM 335 N GLY A 23 -12.270 -4.360 -1.695 1.00 0.00 N ATOM 336 CA GLY A 23 -13.299 -4.169 -0.671 1.00 0.00 C ATOM 337 C GLY A 23 -12.773 -4.345 0.773 1.00 0.00 C ATOM 338 O GLY A 23 -13.535 -4.283 1.727 1.00 0.00 O ATOM 0 H GLY A 23 -11.825 -3.508 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.723 -3.170 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.108 -4.879 -0.843 1.00 0.00 H new ATOM 342 N THR A 24 -11.446 -4.542 0.890 1.00 0.00 N ATOM 343 CA THR A 24 -10.767 -4.711 2.170 1.00 0.00 C ATOM 344 C THR A 24 -9.756 -3.564 2.365 1.00 0.00 C ATOM 345 O THR A 24 -9.167 -3.059 1.419 1.00 0.00 O ATOM 346 CB THR A 24 -10.056 -6.078 2.138 1.00 0.00 C ATOM 347 OG1 THR A 24 -10.915 -7.078 1.627 1.00 0.00 O ATOM 348 CG2 THR A 24 -9.503 -6.510 3.504 1.00 0.00 C ATOM 0 H THR A 24 -10.818 -4.587 0.087 1.00 0.00 H new ATOM 0 HA THR A 24 -11.470 -4.682 3.002 1.00 0.00 H new ATOM 0 HB THR A 24 -9.200 -5.955 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.445 -7.938 1.613 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.016 -7.480 3.409 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.780 -5.773 3.853 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.321 -6.584 4.221 1.00 0.00 H new ATOM 356 N SER A 25 -9.601 -3.175 3.641 1.00 0.00 N ATOM 357 CA SER A 25 -8.690 -2.108 4.027 1.00 0.00 C ATOM 358 C SER A 25 -7.307 -2.698 4.344 1.00 0.00 C ATOM 359 O SER A 25 -7.201 -3.584 5.185 1.00 0.00 O ATOM 360 CB SER A 25 -9.270 -1.541 5.326 1.00 0.00 C ATOM 361 OG SER A 25 -9.586 -2.613 6.201 1.00 0.00 O ATOM 0 H SER A 25 -10.104 -3.594 4.423 1.00 0.00 H new ATOM 0 HA SER A 25 -8.585 -1.362 3.239 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.551 -0.870 5.797 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.163 -0.953 5.114 1.00 0.00 H new ATOM 0 HG SER A 25 -8.948 -3.345 6.066 1.00 0.00 H new ATOM 367 N TYR A 26 -6.281 -2.151 3.668 1.00 0.00 N ATOM 368 CA TYR A 26 -4.898 -2.567 3.866 1.00 0.00 C ATOM 369 C TYR A 26 -4.128 -1.368 4.434 1.00 0.00 C ATOM 370 O TYR A 26 -4.284 -0.249 3.967 1.00 0.00 O ATOM 371 CB TYR A 26 -4.241 -2.920 2.524 1.00 0.00 C ATOM 372 CG TYR A 26 -4.847 -4.105 1.824 1.00 0.00 C ATOM 373 CD1 TYR A 26 -6.075 -4.009 1.181 1.00 0.00 C ATOM 374 CD2 TYR A 26 -4.168 -5.316 1.779 1.00 0.00 C ATOM 375 CE1 TYR A 26 -6.604 -5.108 0.524 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.699 -6.407 1.106 1.00 0.00 C ATOM 377 CZ TYR A 26 -5.933 -6.313 0.488 1.00 0.00 C ATOM 378 OH TYR A 26 -6.512 -7.378 -0.176 1.00 0.00 O ATOM 0 H TYR A 26 -6.395 -1.412 2.974 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.878 -3.433 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.303 -2.054 1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.182 -3.117 2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.618 -3.076 1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.213 -5.410 2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.560 -5.020 0.030 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.146 -7.334 1.064 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.269 -8.215 0.273 1.00 0.00 H new ATOM 388 N ASP A 27 -3.293 -1.663 5.448 1.00 0.00 N ATOM 389 CA ASP A 27 -2.484 -0.621 6.086 1.00 0.00 C ATOM 390 C ASP A 27 -0.999 -1.044 6.107 1.00 0.00 C ATOM 391 O ASP A 27 -0.241 -0.706 7.005 1.00 0.00 O ATOM 392 CB ASP A 27 -3.059 -0.378 7.497 1.00 0.00 C ATOM 393 CG ASP A 27 -2.804 1.058 7.984 1.00 0.00 C ATOM 394 OD1 ASP A 27 -3.379 1.978 7.403 1.00 0.00 O ATOM 395 OD2 ASP A 27 -2.055 1.244 8.939 1.00 0.00 O ATOM 0 H ASP A 27 -3.165 -2.599 5.834 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.526 0.315 5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.131 -0.573 7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.611 -1.083 8.197 1.00 0.00 H new ATOM 400 N SER A 28 -0.619 -1.846 5.087 1.00 0.00 N ATOM 401 CA SER A 28 0.756 -2.333 5.052 1.00 0.00 C ATOM 402 C SER A 28 1.032 -2.928 3.659 1.00 0.00 C ATOM 403 O SER A 28 0.117 -3.166 2.879 1.00 0.00 O ATOM 404 CB SER A 28 0.941 -3.391 6.173 1.00 0.00 C ATOM 405 OG SER A 28 0.022 -4.458 6.016 1.00 0.00 O ATOM 0 H SER A 28 -1.218 -2.151 4.320 1.00 0.00 H new ATOM 0 HA SER A 28 1.465 -1.524 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.960 -3.777 6.150 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.799 -2.923 7.147 1.00 0.00 H new ATOM 0 HG SER A 28 0.157 -5.114 6.732 1.00 0.00 H new ATOM 411 N CYS A 29 2.340 -3.158 3.419 1.00 0.00 N ATOM 412 CA CYS A 29 2.844 -3.745 2.177 1.00 0.00 C ATOM 413 C CYS A 29 2.149 -5.092 1.846 1.00 0.00 C ATOM 414 O CYS A 29 2.312 -6.047 2.599 1.00 0.00 O ATOM 415 CB CYS A 29 4.330 -4.021 2.448 1.00 0.00 C ATOM 416 SG CYS A 29 5.267 -2.538 2.893 1.00 0.00 S ATOM 0 H CYS A 29 3.074 -2.937 4.091 1.00 0.00 H new ATOM 0 HA CYS A 29 2.662 -3.075 1.336 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.415 -4.751 3.253 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.776 -4.471 1.561 1.00 0.00 H new ATOM 421 N THR A 30 1.385 -5.161 0.724 1.00 0.00 N ATOM 422 CA THR A 30 0.639 -6.393 0.424 1.00 0.00 C ATOM 423 C THR A 30 1.093 -7.025 -0.905 1.00 0.00 C ATOM 424 O THR A 30 1.563 -6.346 -1.804 1.00 0.00 O ATOM 425 CB THR A 30 -0.863 -6.044 0.427 1.00 0.00 C ATOM 426 OG1 THR A 30 -1.643 -7.201 0.646 1.00 0.00 O ATOM 427 CG2 THR A 30 -1.338 -5.263 -0.826 1.00 0.00 C ATOM 0 H THR A 30 1.276 -4.409 0.044 1.00 0.00 H new ATOM 0 HA THR A 30 0.838 -7.149 1.184 1.00 0.00 H new ATOM 0 HB THR A 30 -1.010 -5.355 1.259 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.497 -6.947 1.054 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.405 -5.058 -0.744 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.792 -4.322 -0.897 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.151 -5.859 -1.719 1.00 0.00 H new ATOM 435 N THR A 31 0.911 -8.359 -0.972 1.00 0.00 N ATOM 436 CA THR A 31 1.247 -9.148 -2.157 1.00 0.00 C ATOM 437 C THR A 31 0.040 -9.255 -3.109 1.00 0.00 C ATOM 438 O THR A 31 0.170 -9.195 -4.327 1.00 0.00 O ATOM 439 CB THR A 31 1.637 -10.555 -1.673 1.00 0.00 C ATOM 440 OG1 THR A 31 0.797 -10.834 -0.558 1.00 0.00 O ATOM 441 CG2 THR A 31 3.119 -10.636 -1.277 1.00 0.00 C ATOM 0 H THR A 31 0.528 -8.911 -0.205 1.00 0.00 H new ATOM 0 HA THR A 31 2.062 -8.671 -2.701 1.00 0.00 H new ATOM 0 HB THR A 31 1.504 -11.286 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.003 -11.726 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.351 -11.647 -0.941 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.740 -10.388 -2.138 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.319 -9.931 -0.470 1.00 0.00 H new ATOM 449 N GLU A 32 -1.141 -9.425 -2.473 1.00 0.00 N ATOM 450 CA GLU A 32 -2.392 -9.608 -3.217 1.00 0.00 C ATOM 451 C GLU A 32 -2.528 -8.542 -4.317 1.00 0.00 C ATOM 452 O GLU A 32 -2.578 -7.354 -4.035 1.00 0.00 O ATOM 453 CB GLU A 32 -3.617 -9.459 -2.296 1.00 0.00 C ATOM 454 CG GLU A 32 -3.796 -10.572 -1.253 1.00 0.00 C ATOM 455 CD GLU A 32 -5.053 -10.261 -0.430 1.00 0.00 C ATOM 456 OE1 GLU A 32 -6.140 -10.656 -0.836 1.00 0.00 O ATOM 457 OE2 GLU A 32 -4.942 -9.592 0.593 1.00 0.00 O ATOM 0 H GLU A 32 -1.246 -9.438 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.358 -10.610 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.545 -8.504 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.513 -9.417 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.893 -11.540 -1.744 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.922 -10.629 -0.605 1.00 0.00 H new ATOM 464 N GLY A 33 -2.571 -9.039 -5.566 1.00 0.00 N ATOM 465 CA GLY A 33 -2.678 -8.156 -6.722 1.00 0.00 C ATOM 466 C GLY A 33 -1.552 -8.413 -7.727 1.00 0.00 C ATOM 467 O GLY A 33 -1.690 -8.115 -8.905 1.00 0.00 O ATOM 0 H GLY A 33 -2.533 -10.033 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.642 -8.305 -7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.644 -7.117 -6.393 1.00 0.00 H new ATOM 471 N ARG A 34 -0.441 -8.979 -7.212 1.00 0.00 N ATOM 472 CA ARG A 34 0.692 -9.275 -8.108 1.00 0.00 C ATOM 473 C ARG A 34 1.011 -10.769 -7.989 1.00 0.00 C ATOM 474 O ARG A 34 0.645 -11.423 -7.021 1.00 0.00 O ATOM 475 CB ARG A 34 1.910 -8.451 -7.673 1.00 0.00 C ATOM 476 CG ARG A 34 1.657 -6.934 -7.724 1.00 0.00 C ATOM 477 CD ARG A 34 2.965 -6.140 -7.554 1.00 0.00 C ATOM 478 NE ARG A 34 3.792 -6.286 -8.766 1.00 0.00 N ATOM 479 CZ ARG A 34 3.769 -5.402 -9.791 1.00 0.00 C ATOM 480 NH1 ARG A 34 2.996 -4.324 -9.738 1.00 0.00 N ATOM 481 NH2 ARG A 34 4.532 -5.623 -10.853 1.00 0.00 N ATOM 0 H ARG A 34 -0.307 -9.229 -6.232 1.00 0.00 H new ATOM 0 HA ARG A 34 0.443 -9.023 -9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.190 -8.734 -6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.756 -8.695 -8.316 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.192 -6.673 -8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.955 -6.654 -6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.743 -5.088 -7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.511 -6.501 -6.683 1.00 0.00 H new ATOM 0 HE ARG A 34 4.412 -7.093 -8.836 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.412 -4.155 -8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.987 -3.664 -10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.127 -6.451 -10.890 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.524 -4.965 -11.632 1.00 0.00 H new ATOM 495 N THR A 35 1.713 -11.263 -9.026 1.00 0.00 N ATOM 496 CA THR A 35 2.112 -12.666 -9.082 1.00 0.00 C ATOM 497 C THR A 35 3.626 -12.795 -9.348 1.00 0.00 C ATOM 498 O THR A 35 4.111 -13.836 -9.768 1.00 0.00 O ATOM 499 CB THR A 35 1.265 -13.345 -10.176 1.00 0.00 C ATOM 500 OG1 THR A 35 -0.033 -12.782 -10.205 1.00 0.00 O ATOM 501 CG2 THR A 35 1.170 -14.867 -10.010 1.00 0.00 C ATOM 0 H THR A 35 2.010 -10.708 -9.828 1.00 0.00 H new ATOM 0 HA THR A 35 1.933 -13.160 -8.127 1.00 0.00 H new ATOM 0 HB THR A 35 1.775 -13.163 -11.122 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.563 -13.218 -10.904 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.560 -15.283 -10.812 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.169 -15.301 -10.051 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.713 -15.100 -9.048 1.00 0.00 H new ATOM 509 N ASP A 36 4.335 -11.680 -9.085 1.00 0.00 N ATOM 510 CA ASP A 36 5.774 -11.594 -9.331 1.00 0.00 C ATOM 511 C ASP A 36 6.604 -11.580 -8.027 1.00 0.00 C ATOM 512 O ASP A 36 7.828 -11.561 -8.067 1.00 0.00 O ATOM 513 CB ASP A 36 6.052 -10.346 -10.189 1.00 0.00 C ATOM 514 CG ASP A 36 5.567 -9.022 -9.573 1.00 0.00 C ATOM 515 OD1 ASP A 36 5.171 -8.985 -8.409 1.00 0.00 O ATOM 516 OD2 ASP A 36 5.578 -8.014 -10.274 1.00 0.00 O ATOM 0 H ASP A 36 3.926 -10.828 -8.701 1.00 0.00 H new ATOM 0 HA ASP A 36 6.088 -12.490 -9.866 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.125 -10.276 -10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.575 -10.476 -11.160 1.00 0.00 H new ATOM 521 N GLY A 37 5.891 -11.630 -6.878 1.00 0.00 N ATOM 522 CA GLY A 37 6.566 -11.706 -5.586 1.00 0.00 C ATOM 523 C GLY A 37 6.754 -10.358 -4.889 1.00 0.00 C ATOM 524 O GLY A 37 7.138 -10.316 -3.727 1.00 0.00 O ATOM 0 H GLY A 37 4.872 -11.619 -6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.995 -12.363 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.543 -12.167 -5.727 1.00 0.00 H new ATOM 528 N TYR A 38 6.513 -9.264 -5.633 1.00 0.00 N ATOM 529 CA TYR A 38 6.791 -7.952 -5.047 1.00 0.00 C ATOM 530 C TYR A 38 5.562 -7.434 -4.300 1.00 0.00 C ATOM 531 O TYR A 38 4.420 -7.620 -4.701 1.00 0.00 O ATOM 532 CB TYR A 38 7.346 -7.014 -6.133 1.00 0.00 C ATOM 533 CG TYR A 38 8.397 -7.754 -6.923 1.00 0.00 C ATOM 534 CD1 TYR A 38 9.422 -8.452 -6.295 1.00 0.00 C ATOM 535 CD2 TYR A 38 8.326 -7.838 -8.302 1.00 0.00 C ATOM 536 CE1 TYR A 38 10.280 -9.259 -7.005 1.00 0.00 C ATOM 537 CE2 TYR A 38 9.186 -8.641 -9.015 1.00 0.00 C ATOM 538 CZ TYR A 38 10.161 -9.376 -8.373 1.00 0.00 C ATOM 539 OH TYR A 38 10.982 -10.227 -9.079 1.00 0.00 O ATOM 0 H TYR A 38 6.148 -9.260 -6.585 1.00 0.00 H new ATOM 0 HA TYR A 38 7.570 -8.016 -4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.543 -6.682 -6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.775 -6.121 -5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.547 -8.359 -5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.580 -7.262 -8.830 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.054 -9.806 -6.486 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.097 -8.697 -10.090 1.00 0.00 H new ATOM 0 HH TYR A 38 10.757 -10.183 -10.032 1.00 0.00 H new ATOM 549 N ARG A 39 5.890 -6.811 -3.156 1.00 0.00 N ATOM 550 CA ARG A 39 4.816 -6.276 -2.296 1.00 0.00 C ATOM 551 C ARG A 39 4.589 -4.831 -2.762 1.00 0.00 C ATOM 552 O ARG A 39 5.542 -4.132 -3.086 1.00 0.00 O ATOM 553 CB ARG A 39 5.301 -6.353 -0.834 1.00 0.00 C ATOM 554 CG ARG A 39 5.701 -7.768 -0.386 1.00 0.00 C ATOM 555 CD ARG A 39 5.899 -7.870 1.154 1.00 0.00 C ATOM 556 NE ARG A 39 4.656 -7.705 1.944 1.00 0.00 N ATOM 557 CZ ARG A 39 4.322 -8.498 2.993 1.00 0.00 C ATOM 558 NH1 ARG A 39 5.125 -9.463 3.419 1.00 0.00 N ATOM 559 NH2 ARG A 39 3.174 -8.282 3.626 1.00 0.00 N ATOM 0 H ARG A 39 6.841 -6.668 -2.815 1.00 0.00 H new ATOM 0 HA ARG A 39 3.880 -6.830 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.155 -5.688 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.511 -5.984 -0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.933 -8.476 -0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.624 -8.058 -0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.338 -8.840 1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.617 -7.112 1.467 1.00 0.00 H new ATOM 0 HE ARG A 39 4.016 -6.954 1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.019 -9.624 2.956 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.849 -10.044 4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.558 -7.528 3.322 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.909 -8.870 4.416 1.00 0.00 H new ATOM 573 N TRP A 40 3.307 -4.420 -2.824 1.00 0.00 N ATOM 574 CA TRP A 40 2.963 -3.081 -3.274 1.00 0.00 C ATOM 575 C TRP A 40 2.108 -2.398 -2.196 1.00 0.00 C ATOM 576 O TRP A 40 1.549 -3.045 -1.314 1.00 0.00 O ATOM 577 CB TRP A 40 2.236 -3.141 -4.635 1.00 0.00 C ATOM 578 CG TRP A 40 0.901 -3.856 -4.511 1.00 0.00 C ATOM 579 CD1 TRP A 40 0.718 -5.243 -4.516 1.00 0.00 C ATOM 580 CD2 TRP A 40 -0.415 -3.273 -4.357 1.00 0.00 C ATOM 581 NE1 TRP A 40 -0.598 -5.517 -4.379 1.00 0.00 N ATOM 582 CE2 TRP A 40 -1.328 -4.349 -4.282 1.00 0.00 C ATOM 583 CE3 TRP A 40 -0.885 -1.990 -4.271 1.00 0.00 C ATOM 584 CZ2 TRP A 40 -2.663 -4.116 -4.132 1.00 0.00 C ATOM 585 CZ3 TRP A 40 -2.254 -1.743 -4.113 1.00 0.00 C ATOM 586 CH2 TRP A 40 -3.147 -2.815 -4.047 1.00 0.00 C ATOM 0 H TRP A 40 2.508 -4.999 -2.568 1.00 0.00 H new ATOM 0 HA TRP A 40 3.868 -2.492 -3.423 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.077 -2.130 -5.011 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.862 -3.657 -5.363 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.504 -5.978 -4.614 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.996 -6.456 -4.351 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.194 -1.162 -4.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.350 -4.948 -4.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.618 -0.729 -4.042 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.206 -2.635 -3.931 1.00 0.00 H new ATOM 597 N CYS A 41 2.038 -1.062 -2.337 1.00 0.00 N ATOM 598 CA CYS A 41 1.205 -0.228 -1.496 1.00 0.00 C ATOM 599 C CYS A 41 0.355 0.632 -2.433 1.00 0.00 C ATOM 600 O CYS A 41 0.811 1.054 -3.491 1.00 0.00 O ATOM 601 CB CYS A 41 2.057 0.651 -0.583 1.00 0.00 C ATOM 602 SG CYS A 41 3.135 1.809 -1.472 1.00 0.00 S ATOM 0 H CYS A 41 2.563 -0.544 -3.042 1.00 0.00 H new ATOM 0 HA CYS A 41 0.577 -0.839 -0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.399 1.216 0.077 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.672 0.011 0.050 1.00 0.00 H new ATOM 607 N GLY A 42 -0.900 0.855 -2.011 1.00 0.00 N ATOM 608 CA GLY A 42 -1.779 1.681 -2.822 1.00 0.00 C ATOM 609 C GLY A 42 -1.428 3.159 -2.625 1.00 0.00 C ATOM 610 O GLY A 42 -0.879 3.554 -1.604 1.00 0.00 O ATOM 0 H GLY A 42 -1.307 0.489 -1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.680 1.411 -3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.818 1.504 -2.544 1.00 0.00 H new ATOM 614 N THR A 43 -1.810 3.939 -3.647 1.00 0.00 N ATOM 615 CA THR A 43 -1.681 5.390 -3.603 1.00 0.00 C ATOM 616 C THR A 43 -3.084 5.924 -3.901 1.00 0.00 C ATOM 617 O THR A 43 -3.563 5.843 -5.025 1.00 0.00 O ATOM 618 CB THR A 43 -0.627 5.886 -4.606 1.00 0.00 C ATOM 619 OG1 THR A 43 -0.378 4.906 -5.583 1.00 0.00 O ATOM 620 CG2 THR A 43 0.708 6.185 -3.923 1.00 0.00 C ATOM 0 H THR A 43 -2.211 3.581 -4.514 1.00 0.00 H new ATOM 0 HA THR A 43 -1.329 5.747 -2.635 1.00 0.00 H new ATOM 0 HB THR A 43 -1.029 6.796 -5.052 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.568 4.650 -5.556 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.427 6.533 -4.665 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.565 6.957 -3.167 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.086 5.279 -3.450 1.00 0.00 H new ATOM 628 N THR A 44 -3.685 6.441 -2.816 1.00 0.00 N ATOM 629 CA THR A 44 -5.050 6.963 -2.721 1.00 0.00 C ATOM 630 C THR A 44 -5.890 5.880 -2.010 1.00 0.00 C ATOM 631 O THR A 44 -5.711 4.688 -2.232 1.00 0.00 O ATOM 632 CB THR A 44 -5.660 7.465 -4.053 1.00 0.00 C ATOM 633 OG1 THR A 44 -4.689 8.177 -4.805 1.00 0.00 O ATOM 634 CG2 THR A 44 -6.790 8.473 -3.821 1.00 0.00 C ATOM 0 H THR A 44 -3.193 6.508 -1.925 1.00 0.00 H new ATOM 0 HA THR A 44 -5.043 7.884 -2.138 1.00 0.00 H new ATOM 0 HB THR A 44 -6.023 6.575 -4.567 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.164 7.547 -5.342 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.189 8.799 -4.781 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.583 8.003 -3.239 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.403 9.335 -3.277 1.00 0.00 H new ATOM 642 N GLU A 45 -6.770 6.359 -1.109 1.00 0.00 N ATOM 643 CA GLU A 45 -7.541 5.483 -0.227 1.00 0.00 C ATOM 644 C GLU A 45 -8.425 4.431 -0.943 1.00 0.00 C ATOM 645 O GLU A 45 -8.745 3.413 -0.343 1.00 0.00 O ATOM 646 CB GLU A 45 -8.382 6.283 0.802 1.00 0.00 C ATOM 647 CG GLU A 45 -7.543 6.961 1.910 1.00 0.00 C ATOM 648 CD GLU A 45 -6.600 8.097 1.474 1.00 0.00 C ATOM 649 OE1 GLU A 45 -6.819 8.708 0.429 1.00 0.00 O ATOM 650 OE2 GLU A 45 -5.644 8.360 2.202 1.00 0.00 O ATOM 0 H GLU A 45 -6.960 7.353 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.775 4.913 0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.952 7.047 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.103 5.611 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.228 7.358 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.945 6.193 2.400 1.00 0.00 H new ATOM 657 N ASP A 46 -8.818 4.695 -2.208 1.00 0.00 N ATOM 658 CA ASP A 46 -9.681 3.747 -2.934 1.00 0.00 C ATOM 659 C ASP A 46 -8.922 3.236 -4.172 1.00 0.00 C ATOM 660 O ASP A 46 -8.986 3.777 -5.270 1.00 0.00 O ATOM 661 CB ASP A 46 -11.057 4.372 -3.260 1.00 0.00 C ATOM 662 CG ASP A 46 -12.051 3.283 -3.688 1.00 0.00 C ATOM 663 OD1 ASP A 46 -11.789 2.565 -4.649 1.00 0.00 O ATOM 664 OD2 ASP A 46 -13.068 3.095 -3.023 1.00 0.00 O ATOM 0 H ASP A 46 -8.560 5.531 -2.732 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.908 2.886 -2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.440 4.900 -2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.950 5.109 -4.056 1.00 0.00 H new ATOM 669 N TYR A 47 -8.161 2.158 -3.904 1.00 0.00 N ATOM 670 CA TYR A 47 -7.312 1.611 -4.967 1.00 0.00 C ATOM 671 C TYR A 47 -8.143 1.034 -6.112 1.00 0.00 C ATOM 672 O TYR A 47 -7.773 1.124 -7.275 1.00 0.00 O ATOM 673 CB TYR A 47 -6.406 0.507 -4.400 1.00 0.00 C ATOM 674 CG TYR A 47 -5.482 -0.021 -5.459 1.00 0.00 C ATOM 675 CD1 TYR A 47 -4.319 0.662 -5.763 1.00 0.00 C ATOM 676 CD2 TYR A 47 -5.772 -1.189 -6.154 1.00 0.00 C ATOM 677 CE1 TYR A 47 -3.442 0.166 -6.707 1.00 0.00 C ATOM 678 CE2 TYR A 47 -4.881 -1.698 -7.086 1.00 0.00 C ATOM 679 CZ TYR A 47 -3.705 -1.019 -7.366 1.00 0.00 C ATOM 680 OH TYR A 47 -2.793 -1.492 -8.285 1.00 0.00 O ATOM 0 H TYR A 47 -8.118 1.673 -3.008 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.708 2.430 -5.357 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.824 0.900 -3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.017 -0.305 -4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.095 1.590 -5.258 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.702 -1.706 -5.966 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.538 0.712 -6.933 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.103 -2.625 -7.595 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.981 -0.944 -8.252 1.00 0.00 H new ATOM 690 N ASP A 48 -9.273 0.422 -5.725 1.00 0.00 N ATOM 691 CA ASP A 48 -10.088 -0.212 -6.751 1.00 0.00 C ATOM 692 C ASP A 48 -10.551 0.810 -7.813 1.00 0.00 C ATOM 693 O ASP A 48 -10.670 0.516 -8.997 1.00 0.00 O ATOM 694 CB ASP A 48 -11.305 -0.917 -6.124 1.00 0.00 C ATOM 695 CG ASP A 48 -10.865 -2.019 -5.145 1.00 0.00 C ATOM 696 OD1 ASP A 48 -10.129 -2.909 -5.558 1.00 0.00 O ATOM 697 OD2 ASP A 48 -11.249 -1.981 -3.974 1.00 0.00 O ATOM 0 H ASP A 48 -9.621 0.357 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.468 -0.959 -7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.922 -0.187 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.923 -1.351 -6.910 1.00 0.00 H new ATOM 702 N ARG A 49 -10.809 2.034 -7.320 1.00 0.00 N ATOM 703 CA ARG A 49 -11.203 3.134 -8.187 1.00 0.00 C ATOM 704 C ARG A 49 -9.988 3.709 -8.963 1.00 0.00 C ATOM 705 O ARG A 49 -10.007 3.740 -10.192 1.00 0.00 O ATOM 706 CB ARG A 49 -11.924 4.183 -7.325 1.00 0.00 C ATOM 707 CG ARG A 49 -12.266 5.508 -8.030 1.00 0.00 C ATOM 708 CD ARG A 49 -11.295 6.650 -7.652 1.00 0.00 C ATOM 709 NE ARG A 49 -12.032 7.751 -7.040 1.00 0.00 N ATOM 710 CZ ARG A 49 -11.441 8.725 -6.307 1.00 0.00 C ATOM 711 NH1 ARG A 49 -10.131 8.732 -6.084 1.00 0.00 N ATOM 712 NH2 ARG A 49 -12.195 9.697 -5.799 1.00 0.00 N ATOM 0 H ARG A 49 -10.749 2.275 -6.331 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.890 2.785 -8.958 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.848 3.744 -6.949 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.301 4.404 -6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.242 5.358 -9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.284 5.801 -7.772 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.537 6.280 -6.961 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.771 7.002 -8.541 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.043 7.789 -7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.544 7.992 -6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.712 9.478 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.202 9.701 -5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.766 10.438 -5.245 1.00 0.00 H new ATOM 726 N ASP A 50 -8.978 4.161 -8.194 1.00 0.00 N ATOM 727 CA ASP A 50 -7.789 4.861 -8.714 1.00 0.00 C ATOM 728 C ASP A 50 -6.763 4.017 -9.529 1.00 0.00 C ATOM 729 O ASP A 50 -6.231 4.459 -10.548 1.00 0.00 O ATOM 730 CB ASP A 50 -7.079 5.542 -7.518 1.00 0.00 C ATOM 731 CG ASP A 50 -7.947 6.678 -6.957 1.00 0.00 C ATOM 732 OD1 ASP A 50 -8.288 7.591 -7.703 1.00 0.00 O ATOM 733 OD2 ASP A 50 -8.307 6.663 -5.784 1.00 0.00 O ATOM 0 H ASP A 50 -8.966 4.048 -7.180 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.169 5.567 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.882 4.807 -6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.114 5.936 -7.836 1.00 0.00 H new ATOM 738 N LYS A 51 -6.450 2.820 -9.004 1.00 0.00 N ATOM 739 CA LYS A 51 -5.447 1.907 -9.563 1.00 0.00 C ATOM 740 C LYS A 51 -4.080 2.565 -9.771 1.00 0.00 C ATOM 741 O LYS A 51 -3.559 2.580 -10.884 1.00 0.00 O ATOM 742 CB LYS A 51 -5.821 1.255 -10.912 1.00 0.00 C ATOM 743 CG LYS A 51 -7.135 0.458 -10.885 1.00 0.00 C ATOM 744 CD LYS A 51 -8.367 1.361 -10.840 1.00 0.00 C ATOM 745 CE LYS A 51 -9.566 0.798 -11.609 1.00 0.00 C ATOM 746 NZ LYS A 51 -10.765 1.571 -11.314 1.00 0.00 N ATOM 0 H LYS A 51 -6.898 2.456 -8.163 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.406 1.136 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.898 2.034 -11.670 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.013 0.591 -11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.188 -0.179 -11.768 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.139 -0.200 -10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.654 1.519 -9.800 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.108 2.337 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.364 0.823 -12.680 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.723 -0.246 -11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.393 1.568 -12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.260 1.147 -10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.499 2.550 -11.084 1.00 0.00 H new ATOM 760 N LYS A 52 -3.517 3.089 -8.676 1.00 0.00 N ATOM 761 CA LYS A 52 -2.153 3.593 -8.753 1.00 0.00 C ATOM 762 C LYS A 52 -1.464 3.064 -7.502 1.00 0.00 C ATOM 763 O LYS A 52 -2.069 3.059 -6.432 1.00 0.00 O ATOM 764 CB LYS A 52 -2.092 5.131 -8.842 1.00 0.00 C ATOM 765 CG LYS A 52 -2.862 5.745 -10.034 1.00 0.00 C ATOM 766 CD LYS A 52 -2.253 5.403 -11.423 1.00 0.00 C ATOM 767 CE LYS A 52 -3.257 5.390 -12.604 1.00 0.00 C ATOM 768 NZ LYS A 52 -4.392 4.498 -12.354 1.00 0.00 N ATOM 0 H LYS A 52 -3.967 3.171 -7.764 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.657 3.254 -9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.489 5.550 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.047 5.436 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.894 5.396 -10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.889 6.828 -9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.467 6.125 -11.644 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.778 4.424 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.623 6.402 -12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.743 5.076 -13.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.867 4.280 -13.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.052 3.617 -11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.064 4.963 -11.712 1.00 0.00 H new ATOM 782 N TYR A 53 -0.214 2.605 -7.674 1.00 0.00 N ATOM 783 CA TYR A 53 0.523 2.028 -6.563 1.00 0.00 C ATOM 784 C TYR A 53 1.999 2.430 -6.622 1.00 0.00 C ATOM 785 O TYR A 53 2.490 3.018 -7.575 1.00 0.00 O ATOM 786 CB TYR A 53 0.403 0.487 -6.622 1.00 0.00 C ATOM 787 CG TYR A 53 1.092 -0.128 -7.815 1.00 0.00 C ATOM 788 CD1 TYR A 53 0.436 -0.239 -9.034 1.00 0.00 C ATOM 789 CD2 TYR A 53 2.393 -0.606 -7.713 1.00 0.00 C ATOM 790 CE1 TYR A 53 1.053 -0.839 -10.124 1.00 0.00 C ATOM 791 CE2 TYR A 53 3.015 -1.204 -8.796 1.00 0.00 C ATOM 792 CZ TYR A 53 2.340 -1.344 -9.997 1.00 0.00 C ATOM 793 OH TYR A 53 2.953 -2.019 -11.038 1.00 0.00 O ATOM 0 H TYR A 53 0.292 2.626 -8.560 1.00 0.00 H new ATOM 0 HA TYR A 53 0.102 2.401 -5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.825 0.063 -5.711 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.652 0.214 -6.642 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.568 0.147 -9.136 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.925 -0.510 -6.778 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.533 -0.913 -11.068 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.030 -1.562 -8.704 1.00 0.00 H new ATOM 0 HH TYR A 53 3.910 -2.111 -10.849 1.00 0.00 H new ATOM 803 N GLY A 54 2.651 1.987 -5.542 1.00 0.00 N ATOM 804 CA GLY A 54 4.091 2.080 -5.320 1.00 0.00 C ATOM 805 C GLY A 54 4.551 0.686 -4.863 1.00 0.00 C ATOM 806 O GLY A 54 3.708 -0.161 -4.575 1.00 0.00 O ATOM 0 H GLY A 54 2.165 1.535 -4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.606 2.379 -6.233 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.320 2.831 -4.564 1.00 0.00 H new ATOM 810 N PHE A 55 5.883 0.473 -4.774 1.00 0.00 N ATOM 811 CA PHE A 55 6.362 -0.807 -4.252 1.00 0.00 C ATOM 812 C PHE A 55 6.639 -0.567 -2.762 1.00 0.00 C ATOM 813 O PHE A 55 6.962 0.528 -2.323 1.00 0.00 O ATOM 814 CB PHE A 55 7.598 -1.386 -4.969 1.00 0.00 C ATOM 815 CG PHE A 55 7.244 -2.006 -6.295 1.00 0.00 C ATOM 816 CD1 PHE A 55 6.470 -3.162 -6.352 1.00 0.00 C ATOM 817 CD2 PHE A 55 7.699 -1.446 -7.482 1.00 0.00 C ATOM 818 CE1 PHE A 55 6.151 -3.741 -7.572 1.00 0.00 C ATOM 819 CE2 PHE A 55 7.380 -2.019 -8.706 1.00 0.00 C ATOM 820 CZ PHE A 55 6.605 -3.169 -8.752 1.00 0.00 C ATOM 0 H PHE A 55 6.607 1.139 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 55 5.602 -1.569 -4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.331 -0.594 -5.124 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.068 -2.136 -4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.114 -3.613 -5.437 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.308 -0.555 -7.453 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.549 -4.637 -7.603 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.735 -1.570 -9.622 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.356 -3.617 -9.703 1.00 0.00 H new ATOM 830 N CYS A 56 6.401 -1.647 -2.009 1.00 0.00 N ATOM 831 CA CYS A 56 6.475 -1.553 -0.543 1.00 0.00 C ATOM 832 C CYS A 56 7.471 -2.639 -0.112 1.00 0.00 C ATOM 833 O CYS A 56 7.559 -3.670 -0.768 1.00 0.00 O ATOM 834 CB CYS A 56 5.052 -1.910 -0.038 1.00 0.00 C ATOM 835 SG CYS A 56 4.568 -1.181 1.549 1.00 0.00 S ATOM 0 H CYS A 56 6.163 -2.569 -2.373 1.00 0.00 H new ATOM 0 HA CYS A 56 6.785 -0.579 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.331 -1.599 -0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.979 -2.994 0.045 1.00 0.00 H new ATOM 840 N PRO A 57 8.240 -2.396 0.984 1.00 0.00 N ATOM 841 CA PRO A 57 9.197 -3.400 1.437 1.00 0.00 C ATOM 842 C PRO A 57 8.460 -4.394 2.368 1.00 0.00 C ATOM 843 O PRO A 57 7.361 -4.851 2.079 1.00 0.00 O ATOM 844 CB PRO A 57 10.233 -2.509 2.144 1.00 0.00 C ATOM 845 CG PRO A 57 9.396 -1.396 2.785 1.00 0.00 C ATOM 846 CD PRO A 57 8.260 -1.162 1.779 1.00 0.00 C ATOM 0 HA PRO A 57 9.660 -4.032 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.794 -3.068 2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.959 -2.105 1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.011 -1.696 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.985 -0.492 2.940 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.308 -0.994 2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.450 -0.288 1.157 1.00 0.00 H new ATOM 854 N GLU A 58 9.105 -4.651 3.519 1.00 0.00 N ATOM 855 CA GLU A 58 8.555 -5.495 4.570 1.00 0.00 C ATOM 856 C GLU A 58 9.278 -5.072 5.860 1.00 0.00 C ATOM 857 O GLU A 58 9.781 -5.860 6.649 1.00 0.00 O ATOM 858 CB GLU A 58 8.715 -6.983 4.190 1.00 0.00 C ATOM 859 CG GLU A 58 8.143 -7.981 5.224 1.00 0.00 C ATOM 860 CD GLU A 58 7.693 -9.321 4.613 1.00 0.00 C ATOM 861 OE1 GLU A 58 7.848 -9.537 3.409 1.00 0.00 O ATOM 862 OE2 GLU A 58 7.108 -10.130 5.331 1.00 0.00 O ATOM 0 H GLU A 58 10.027 -4.273 3.738 1.00 0.00 H new ATOM 0 HA GLU A 58 7.482 -5.372 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.225 -7.154 3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.775 -7.196 4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.899 -8.175 5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.294 -7.520 5.729 1.00 0.00 H new ATOM 869 N THR A 59 9.312 -3.730 5.953 1.00 0.00 N ATOM 870 CA THR A 59 9.972 -3.015 7.031 1.00 0.00 C ATOM 871 C THR A 59 8.868 -2.450 7.947 1.00 0.00 C ATOM 872 O THR A 59 8.034 -3.198 8.441 1.00 0.00 O ATOM 873 CB THR A 59 10.914 -1.971 6.389 1.00 0.00 C ATOM 874 OG1 THR A 59 11.513 -2.588 5.258 1.00 0.00 O ATOM 875 CG2 THR A 59 11.982 -1.477 7.384 1.00 0.00 C ATOM 0 H THR A 59 8.873 -3.116 5.267 1.00 0.00 H new ATOM 0 HA THR A 59 10.605 -3.635 7.666 1.00 0.00 H new ATOM 0 HB THR A 59 10.348 -1.088 6.092 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.119 -1.953 4.822 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.624 -0.745 6.895 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.494 -1.015 8.242 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.585 -2.321 7.720 1.00 0.00 H new ATOM 883 N ALA A 60 8.879 -1.115 8.134 1.00 0.00 N ATOM 884 CA ALA A 60 7.877 -0.464 8.952 1.00 0.00 C ATOM 885 C ALA A 60 7.873 1.028 8.591 1.00 0.00 C ATOM 886 O ALA A 60 6.850 1.684 8.735 1.00 0.00 O ATOM 887 CB ALA A 60 8.209 -0.643 10.440 1.00 0.00 C ATOM 888 OXT ALA A 60 8.907 1.575 8.205 1.00 0.00 O ATOM 0 H ALA A 60 9.570 -0.485 7.727 1.00 0.00 H new ATOM 0 HA ALA A 60 6.896 -0.903 8.769 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.448 -0.149 11.045 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.232 -1.705 10.682 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.183 -0.202 10.651 1.00 0.00 H new TER 894 ALA A 60