USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 444 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 Single : A 8 ASN :FLIP amide:sc= 0.273 F(o=-0.25,f=0.27) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 165:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.3!) USER MOD Single : A 21 ASN : amide:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 26 MET CE :methyl 167:sc= -0.856 (180deg=-1.04) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 44 LYS NZ :NH3+ 145:sc= 0.269 (180deg=-0.0107) USER MOD Single : A 46 LYS NZ :NH3+ -110:sc= -0.297 (180deg=-0.833) USER MOD Single : A 48 GLN : amide:sc= -0.106 K(o=-0.11,f=-2!) USER MOD Single : A 57 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.9!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 2.317 -10.375 -2.530 1.00 0.00 N ATOM 67 CA ASN A 8 3.146 -9.680 -1.552 1.00 0.00 C ATOM 68 C ASN A 8 2.318 -8.687 -0.744 1.00 0.00 C ATOM 69 O ASN A 8 1.658 -7.811 -1.303 1.00 0.00 O ATOM 70 CB ASN A 8 4.296 -8.953 -2.252 1.00 0.00 C ATOM 71 CG ASN A 8 5.207 -9.902 -3.006 1.00 0.00 C ATOM 72 OD1 ASN A 8 6.499 -9.846 -2.704 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 4.754 -10.676 -3.850 1.00 0.00 N flip ATOM 0 HA ASN A 8 3.557 -10.423 -0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.888 -8.217 -2.945 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.879 -8.405 -1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.754 -10.684 -4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.379 -11.309 -4.349 1.00 0.00 H new ATOM 80 N THR A 9 2.358 -8.828 0.578 1.00 0.00 N ATOM 81 CA THR A 9 1.611 -7.945 1.464 1.00 0.00 C ATOM 82 C THR A 9 2.526 -6.908 2.106 1.00 0.00 C ATOM 83 O THR A 9 3.660 -7.213 2.477 1.00 0.00 O ATOM 84 CB THR A 9 0.893 -8.737 2.573 1.00 0.00 C ATOM 85 OG1 THR A 9 0.257 -9.892 2.016 1.00 0.00 O ATOM 86 CG2 THR A 9 -0.141 -7.870 3.274 1.00 0.00 C ATOM 0 H THR A 9 2.900 -9.546 1.058 1.00 0.00 H new ATOM 0 HA THR A 9 0.866 -7.438 0.850 1.00 0.00 H new ATOM 0 HB THR A 9 1.637 -9.051 3.305 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.196 -10.391 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.635 -8.451 4.053 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.351 -7.007 3.722 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.882 -7.530 2.550 1.00 0.00 H new ATOM 94 N TYR A 10 2.027 -5.684 2.235 1.00 0.00 N ATOM 95 CA TYR A 10 2.802 -4.602 2.831 1.00 0.00 C ATOM 96 C TYR A 10 2.014 -3.917 3.943 1.00 0.00 C ATOM 97 O TYR A 10 0.788 -3.819 3.882 1.00 0.00 O ATOM 98 CB TYR A 10 3.194 -3.579 1.763 1.00 0.00 C ATOM 99 CG TYR A 10 4.212 -4.098 0.773 1.00 0.00 C ATOM 100 CD1 TYR A 10 3.907 -5.152 -0.080 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.479 -3.533 0.689 1.00 0.00 C ATOM 102 CE1 TYR A 10 4.834 -5.629 -0.986 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.412 -4.003 -0.215 1.00 0.00 C ATOM 104 CZ TYR A 10 6.085 -5.051 -1.050 1.00 0.00 C ATOM 105 OH TYR A 10 7.011 -5.523 -1.952 1.00 0.00 O ATOM 0 H TYR A 10 1.090 -5.416 1.935 1.00 0.00 H new ATOM 0 HA TYR A 10 3.706 -5.031 3.262 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.299 -3.269 1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.595 -2.691 2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.928 -5.606 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.739 -2.713 1.342 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.581 -6.450 -1.641 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.392 -3.552 -0.268 1.00 0.00 H new ATOM 0 HH TYR A 10 7.739 -4.874 -2.043 1.00 0.00 H new ATOM 115 N VAL A 11 2.727 -3.442 4.959 1.00 0.00 N ATOM 116 CA VAL A 11 2.097 -2.764 6.085 1.00 0.00 C ATOM 117 C VAL A 11 2.434 -1.278 6.090 1.00 0.00 C ATOM 118 O VAL A 11 3.598 -0.895 6.212 1.00 0.00 O ATOM 119 CB VAL A 11 2.530 -3.383 7.427 1.00 0.00 C ATOM 120 CG1 VAL A 11 4.038 -3.275 7.603 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.802 -2.713 8.583 1.00 0.00 C ATOM 0 H VAL A 11 3.742 -3.514 5.025 1.00 0.00 H new ATOM 0 HA VAL A 11 1.021 -2.889 5.967 1.00 0.00 H new ATOM 0 HB VAL A 11 2.263 -4.440 7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.326 -3.717 8.557 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.538 -3.804 6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.332 -2.226 7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.120 -3.163 9.523 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.036 -1.649 8.593 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.727 -2.847 8.462 1.00 0.00 H new ATOM 131 N ALA A 12 1.409 -0.443 5.958 1.00 0.00 N ATOM 132 CA ALA A 12 1.596 1.003 5.950 1.00 0.00 C ATOM 133 C ALA A 12 2.235 1.481 7.250 1.00 0.00 C ATOM 134 O ALA A 12 1.746 1.181 8.340 1.00 0.00 O ATOM 135 CB ALA A 12 0.267 1.706 5.723 1.00 0.00 C ATOM 0 H ALA A 12 0.440 -0.743 5.855 1.00 0.00 H new ATOM 0 HA ALA A 12 2.270 1.253 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.422 2.785 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.149 1.396 4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.426 1.442 6.522 1.00 0.00 H new ATOM 141 N LEU A 13 3.329 2.224 7.128 1.00 0.00 N ATOM 142 CA LEU A 13 4.035 2.743 8.294 1.00 0.00 C ATOM 143 C LEU A 13 3.342 3.987 8.840 1.00 0.00 C ATOM 144 O LEU A 13 3.187 4.142 10.052 1.00 0.00 O ATOM 145 CB LEU A 13 5.485 3.070 7.933 1.00 0.00 C ATOM 146 CG LEU A 13 6.298 1.929 7.319 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.462 2.478 6.510 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.798 0.987 8.405 1.00 0.00 C ATOM 0 H LEU A 13 3.747 2.481 6.233 1.00 0.00 H new ATOM 0 HA LEU A 13 4.024 1.974 9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.485 3.906 7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.995 3.409 8.835 1.00 0.00 H new ATOM 0 HG LEU A 13 5.649 1.366 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.029 1.652 6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.081 3.112 5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.112 3.065 7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.374 0.181 7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.431 1.538 9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.948 0.567 8.942 1.00 0.00 H new ATOM 160 N TYR A 14 2.927 4.871 7.939 1.00 0.00 N ATOM 161 CA TYR A 14 2.250 6.102 8.331 1.00 0.00 C ATOM 162 C TYR A 14 0.953 6.283 7.549 1.00 0.00 C ATOM 163 O TYR A 14 0.726 5.620 6.537 1.00 0.00 O ATOM 164 CB TYR A 14 3.167 7.305 8.107 1.00 0.00 C ATOM 165 CG TYR A 14 4.615 7.036 8.450 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.080 7.181 9.751 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.518 6.637 7.472 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.402 6.936 10.068 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.841 6.389 7.780 1.00 0.00 C ATOM 170 CZ TYR A 14 7.279 6.541 9.080 1.00 0.00 C ATOM 171 OH TYR A 14 8.596 6.295 9.392 1.00 0.00 O ATOM 0 H TYR A 14 3.047 4.758 6.932 1.00 0.00 H new ATOM 0 HA TYR A 14 2.006 6.032 9.391 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.101 7.612 7.063 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.809 8.141 8.708 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.396 7.491 10.528 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.179 6.519 6.453 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.747 7.053 11.085 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.529 6.078 7.008 1.00 0.00 H new ATOM 0 HH TYR A 14 9.079 6.025 8.583 1.00 0.00 H new ATOM 181 N LYS A 15 0.105 7.188 8.025 1.00 0.00 N ATOM 182 CA LYS A 15 -1.170 7.461 7.372 1.00 0.00 C ATOM 183 C LYS A 15 -0.977 8.364 6.158 1.00 0.00 C ATOM 184 O LYS A 15 -0.293 9.385 6.235 1.00 0.00 O ATOM 185 CB LYS A 15 -2.142 8.113 8.357 1.00 0.00 C ATOM 186 CG LYS A 15 -3.362 8.726 7.692 1.00 0.00 C ATOM 187 CD LYS A 15 -4.088 9.679 8.628 1.00 0.00 C ATOM 188 CE LYS A 15 -5.290 10.318 7.949 1.00 0.00 C ATOM 189 NZ LYS A 15 -6.522 9.498 8.118 1.00 0.00 N ATOM 0 H LYS A 15 0.278 7.746 8.862 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.587 6.512 7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.470 7.366 9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.616 8.887 8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.057 9.260 6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.042 7.935 7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.415 9.139 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.401 10.457 8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.456 11.312 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.082 10.446 6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.319 9.967 7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.373 8.557 7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.735 9.397 9.131 1.00 0.00 H new ATOM 203 N PHE A 16 -1.585 7.983 5.040 1.00 0.00 N ATOM 204 CA PHE A 16 -1.480 8.760 3.810 1.00 0.00 C ATOM 205 C PHE A 16 -2.767 9.536 3.545 1.00 0.00 C ATOM 206 O PHE A 16 -3.867 9.021 3.743 1.00 0.00 O ATOM 207 CB PHE A 16 -1.173 7.841 2.626 1.00 0.00 C ATOM 208 CG PHE A 16 -0.773 8.580 1.381 1.00 0.00 C ATOM 209 CD1 PHE A 16 -1.717 9.262 0.631 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.547 8.593 0.961 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.352 9.942 -0.515 1.00 0.00 C ATOM 212 CE2 PHE A 16 0.919 9.272 -0.184 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.033 9.949 -0.923 1.00 0.00 C ATOM 0 H PHE A 16 -2.155 7.141 4.960 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.664 9.473 3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.372 7.157 2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.052 7.233 2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.750 9.262 0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.295 8.066 1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.098 10.468 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.952 9.274 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.254 10.482 -1.817 1.00 0.00 H new ATOM 223 N VAL A 17 -2.620 10.779 3.097 1.00 0.00 N ATOM 224 CA VAL A 17 -3.769 11.627 2.805 1.00 0.00 C ATOM 225 C VAL A 17 -3.883 11.901 1.309 1.00 0.00 C ATOM 226 O VAL A 17 -3.300 12.848 0.781 1.00 0.00 O ATOM 227 CB VAL A 17 -3.683 12.968 3.557 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.853 13.866 3.184 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.637 12.734 5.059 1.00 0.00 C ATOM 0 H VAL A 17 -1.716 11.221 2.928 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.654 11.088 3.141 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.762 13.471 3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.775 14.809 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.835 14.061 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.789 13.373 3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.576 13.692 5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.539 12.209 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.762 12.133 5.307 1.00 0.00 H new ATOM 239 N PRO A 18 -4.652 11.054 0.609 1.00 0.00 N ATOM 240 CA PRO A 18 -4.862 11.185 -0.836 1.00 0.00 C ATOM 241 C PRO A 18 -5.709 12.402 -1.190 1.00 0.00 C ATOM 242 O PRO A 18 -6.911 12.431 -0.926 1.00 0.00 O ATOM 243 CB PRO A 18 -5.598 9.895 -1.206 1.00 0.00 C ATOM 244 CG PRO A 18 -6.278 9.473 0.051 1.00 0.00 C ATOM 245 CD PRO A 18 -5.377 9.903 1.174 1.00 0.00 C ATOM 0 HA PRO A 18 -3.924 11.326 -1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.317 10.065 -2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.905 9.130 -1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.260 9.938 0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.434 8.394 0.067 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.946 10.183 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.696 9.105 1.470 1.00 0.00 H new ATOM 253 N GLN A 19 -5.075 13.405 -1.790 1.00 0.00 N ATOM 254 CA GLN A 19 -5.773 14.624 -2.180 1.00 0.00 C ATOM 255 C GLN A 19 -6.765 14.348 -3.305 1.00 0.00 C ATOM 256 O GLN A 19 -7.856 14.916 -3.336 1.00 0.00 O ATOM 257 CB GLN A 19 -4.769 15.692 -2.619 1.00 0.00 C ATOM 258 CG GLN A 19 -5.419 16.920 -3.238 1.00 0.00 C ATOM 259 CD GLN A 19 -5.766 17.978 -2.210 1.00 0.00 C ATOM 260 OE1 GLN A 19 -5.059 18.150 -1.216 1.00 0.00 O ATOM 261 NE2 GLN A 19 -6.860 18.694 -2.442 1.00 0.00 N ATOM 0 H GLN A 19 -4.080 13.397 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.327 14.989 -1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.178 16.000 -1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.078 15.255 -3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.745 17.348 -3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.325 16.620 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.417 18.518 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.144 19.420 -1.784 1.00 0.00 H new ATOM 270 N GLU A 20 -6.377 13.474 -4.228 1.00 0.00 N ATOM 271 CA GLU A 20 -7.232 13.124 -5.356 1.00 0.00 C ATOM 272 C GLU A 20 -7.434 11.613 -5.438 1.00 0.00 C ATOM 273 O GLU A 20 -6.562 10.838 -5.048 1.00 0.00 O ATOM 274 CB GLU A 20 -6.628 13.641 -6.663 1.00 0.00 C ATOM 275 CG GLU A 20 -7.153 12.931 -7.899 1.00 0.00 C ATOM 276 CD GLU A 20 -7.227 13.843 -9.109 1.00 0.00 C ATOM 277 OE1 GLU A 20 -8.210 14.605 -9.218 1.00 0.00 O ATOM 278 OE2 GLU A 20 -6.301 13.793 -9.945 1.00 0.00 O ATOM 0 H GLU A 20 -5.476 12.995 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.203 13.595 -5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.834 14.708 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.545 13.528 -6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.508 12.082 -8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.145 12.530 -7.689 1.00 0.00 H new ATOM 285 N ASN A 21 -8.591 11.204 -5.948 1.00 0.00 N ATOM 286 CA ASN A 21 -8.909 9.786 -6.080 1.00 0.00 C ATOM 287 C ASN A 21 -7.659 8.978 -6.415 1.00 0.00 C ATOM 288 O ASN A 21 -7.434 7.905 -5.855 1.00 0.00 O ATOM 289 CB ASN A 21 -9.969 9.579 -7.164 1.00 0.00 C ATOM 290 CG ASN A 21 -11.379 9.636 -6.611 1.00 0.00 C ATOM 291 OD1 ASN A 21 -12.044 8.610 -6.466 1.00 0.00 O ATOM 292 ND2 ASN A 21 -11.844 10.841 -6.299 1.00 0.00 N ATOM 0 H ASN A 21 -9.324 11.833 -6.276 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.302 9.436 -5.125 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.852 10.342 -7.933 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.809 8.614 -7.645 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.787 10.942 -5.923 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.258 11.665 -6.435 1.00 0.00 H new ATOM 299 N GLU A 22 -6.849 9.501 -7.330 1.00 0.00 N ATOM 300 CA GLU A 22 -5.622 8.827 -7.739 1.00 0.00 C ATOM 301 C GLU A 22 -4.873 8.280 -6.527 1.00 0.00 C ATOM 302 O GLU A 22 -4.460 7.120 -6.511 1.00 0.00 O ATOM 303 CB GLU A 22 -4.722 9.788 -8.518 1.00 0.00 C ATOM 304 CG GLU A 22 -5.285 10.188 -9.871 1.00 0.00 C ATOM 305 CD GLU A 22 -4.201 10.495 -10.886 1.00 0.00 C ATOM 306 OE1 GLU A 22 -3.717 9.550 -11.543 1.00 0.00 O ATOM 307 OE2 GLU A 22 -3.838 11.682 -11.024 1.00 0.00 O ATOM 0 H GLU A 22 -7.020 10.389 -7.802 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.893 7.992 -8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.561 10.686 -7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.747 9.322 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.915 9.384 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.923 11.063 -9.750 1.00 0.00 H new ATOM 314 N ASP A 23 -4.701 9.123 -5.515 1.00 0.00 N ATOM 315 CA ASP A 23 -4.001 8.725 -4.299 1.00 0.00 C ATOM 316 C ASP A 23 -4.852 7.765 -3.473 1.00 0.00 C ATOM 317 O ASP A 23 -6.070 7.692 -3.644 1.00 0.00 O ATOM 318 CB ASP A 23 -3.644 9.956 -3.465 1.00 0.00 C ATOM 319 CG ASP A 23 -2.649 10.861 -4.164 1.00 0.00 C ATOM 320 OD1 ASP A 23 -1.595 10.355 -4.603 1.00 0.00 O ATOM 321 OD2 ASP A 23 -2.924 12.074 -4.273 1.00 0.00 O ATOM 0 H ASP A 23 -5.037 10.086 -5.512 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.083 8.213 -4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.552 10.519 -3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.230 9.636 -2.509 1.00 0.00 H new ATOM 326 N LEU A 24 -4.203 7.028 -2.578 1.00 0.00 N ATOM 327 CA LEU A 24 -4.899 6.071 -1.725 1.00 0.00 C ATOM 328 C LEU A 24 -4.767 6.455 -0.255 1.00 0.00 C ATOM 329 O LEU A 24 -3.734 6.970 0.171 1.00 0.00 O ATOM 330 CB LEU A 24 -4.345 4.663 -1.948 1.00 0.00 C ATOM 331 CG LEU A 24 -4.493 3.690 -0.778 1.00 0.00 C ATOM 332 CD1 LEU A 24 -5.957 3.347 -0.550 1.00 0.00 C ATOM 333 CD2 LEU A 24 -3.681 2.428 -1.027 1.00 0.00 C ATOM 0 H LEU A 24 -3.196 7.075 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.956 6.086 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.842 4.232 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.286 4.746 -2.194 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.110 4.173 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.042 2.653 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.513 4.257 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.366 2.884 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.799 1.747 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.033 1.942 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.629 2.689 -1.139 1.00 0.00 H new ATOM 345 N GLU A 25 -5.820 6.197 0.515 1.00 0.00 N ATOM 346 CA GLU A 25 -5.820 6.515 1.939 1.00 0.00 C ATOM 347 C GLU A 25 -5.483 5.281 2.771 1.00 0.00 C ATOM 348 O GLU A 25 -6.235 4.307 2.789 1.00 0.00 O ATOM 349 CB GLU A 25 -7.181 7.072 2.359 1.00 0.00 C ATOM 350 CG GLU A 25 -7.182 7.694 3.746 1.00 0.00 C ATOM 351 CD GLU A 25 -8.438 8.498 4.023 1.00 0.00 C ATOM 352 OE1 GLU A 25 -8.769 9.381 3.205 1.00 0.00 O ATOM 353 OE2 GLU A 25 -9.089 8.244 5.058 1.00 0.00 O ATOM 0 H GLU A 25 -6.682 5.770 0.178 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.056 7.272 2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.497 7.822 1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.918 6.269 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.087 6.906 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.311 8.340 3.851 1.00 0.00 H new ATOM 360 N MET A 26 -4.347 5.331 3.459 1.00 0.00 N ATOM 361 CA MET A 26 -3.910 4.218 4.294 1.00 0.00 C ATOM 362 C MET A 26 -3.567 4.697 5.702 1.00 0.00 C ATOM 363 O MET A 26 -3.371 5.890 5.931 1.00 0.00 O ATOM 364 CB MET A 26 -2.697 3.528 3.668 1.00 0.00 C ATOM 365 CG MET A 26 -1.786 4.475 2.904 1.00 0.00 C ATOM 366 SD MET A 26 -0.470 3.614 2.022 1.00 0.00 S ATOM 367 CE MET A 26 0.966 4.527 2.581 1.00 0.00 C ATOM 0 H MET A 26 -3.713 6.130 3.455 1.00 0.00 H new ATOM 0 HA MET A 26 -4.730 3.503 4.362 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.122 3.039 4.454 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.043 2.746 2.992 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.380 5.049 2.192 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.345 5.189 3.600 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.871 3.981 2.313 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.980 5.508 2.107 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.922 4.648 3.663 1.00 0.00 H new ATOM 377 N ARG A 27 -3.497 3.758 6.640 1.00 0.00 N ATOM 378 CA ARG A 27 -3.180 4.085 8.025 1.00 0.00 C ATOM 379 C ARG A 27 -2.052 3.200 8.548 1.00 0.00 C ATOM 380 O ARG A 27 -1.772 2.128 8.011 1.00 0.00 O ATOM 381 CB ARG A 27 -4.420 3.924 8.907 1.00 0.00 C ATOM 382 CG ARG A 27 -5.264 5.184 9.007 1.00 0.00 C ATOM 383 CD ARG A 27 -6.273 5.090 10.141 1.00 0.00 C ATOM 384 NE ARG A 27 -5.639 5.226 11.450 1.00 0.00 N ATOM 385 CZ ARG A 27 -6.308 5.499 12.565 1.00 0.00 C ATOM 386 NH1 ARG A 27 -7.623 5.662 12.530 1.00 0.00 N ATOM 387 NH2 ARG A 27 -5.661 5.608 13.718 1.00 0.00 N ATOM 0 H ARG A 27 -3.655 2.765 6.466 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.850 5.123 8.060 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.035 3.116 8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.107 3.626 9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.616 6.046 9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.788 5.348 8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.027 5.868 10.021 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.791 4.133 10.087 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.628 5.105 11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.124 5.578 11.645 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.134 5.871 13.388 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.649 5.482 13.749 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.175 5.818 14.574 1.00 0.00 H new ATOM 401 N PRO A 28 -1.389 3.658 9.620 1.00 0.00 N ATOM 402 CA PRO A 28 -0.281 2.923 10.238 1.00 0.00 C ATOM 403 C PRO A 28 -0.750 1.657 10.947 1.00 0.00 C ATOM 404 O PRO A 28 -1.169 1.700 12.103 1.00 0.00 O ATOM 405 CB PRO A 28 0.286 3.923 11.249 1.00 0.00 C ATOM 406 CG PRO A 28 -0.854 4.826 11.570 1.00 0.00 C ATOM 407 CD PRO A 28 -1.669 4.928 10.311 1.00 0.00 C ATOM 0 HA PRO A 28 0.445 2.583 9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.654 3.417 12.142 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.125 4.478 10.829 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.450 4.425 12.390 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.498 5.807 11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.731 5.042 10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.373 5.787 9.709 1.00 0.00 H new ATOM 415 N GLY A 29 -0.675 0.530 10.246 1.00 0.00 N ATOM 416 CA GLY A 29 -1.094 -0.733 10.825 1.00 0.00 C ATOM 417 C GLY A 29 -2.152 -1.430 9.992 1.00 0.00 C ATOM 418 O GLY A 29 -2.917 -2.247 10.505 1.00 0.00 O ATOM 0 H GLY A 29 -0.332 0.469 9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.228 -1.387 10.928 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.483 -0.558 11.828 1.00 0.00 H new ATOM 422 N ASP A 30 -2.198 -1.105 8.705 1.00 0.00 N ATOM 423 CA ASP A 30 -3.170 -1.705 7.799 1.00 0.00 C ATOM 424 C ASP A 30 -2.495 -2.695 6.854 1.00 0.00 C ATOM 425 O ASP A 30 -1.268 -2.745 6.767 1.00 0.00 O ATOM 426 CB ASP A 30 -3.886 -0.620 6.993 1.00 0.00 C ATOM 427 CG ASP A 30 -5.055 -0.016 7.746 1.00 0.00 C ATOM 428 OD1 ASP A 30 -4.815 0.698 8.742 1.00 0.00 O ATOM 429 OD2 ASP A 30 -6.211 -0.258 7.339 1.00 0.00 O ATOM 0 H ASP A 30 -1.573 -0.429 8.265 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.903 -2.245 8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.176 0.167 6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.242 -1.044 6.054 1.00 0.00 H new ATOM 434 N ILE A 31 -3.304 -3.479 6.151 1.00 0.00 N ATOM 435 CA ILE A 31 -2.784 -4.467 5.213 1.00 0.00 C ATOM 436 C ILE A 31 -3.086 -4.070 3.773 1.00 0.00 C ATOM 437 O ILE A 31 -4.239 -4.090 3.341 1.00 0.00 O ATOM 438 CB ILE A 31 -3.374 -5.864 5.483 1.00 0.00 C ATOM 439 CG1 ILE A 31 -3.088 -6.293 6.924 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.806 -6.878 4.501 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.633 -6.614 7.182 1.00 0.00 C ATOM 0 H ILE A 31 -4.322 -3.450 6.213 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.704 -4.503 5.358 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.454 -5.818 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.401 -5.498 7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.692 -7.169 7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.233 -7.860 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.055 -6.578 3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.722 -6.923 4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.505 -6.910 8.223 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.320 -7.430 6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.024 -5.733 6.978 1.00 0.00 H new ATOM 453 N ILE A 32 -2.042 -3.711 3.032 1.00 0.00 N ATOM 454 CA ILE A 32 -2.196 -3.312 1.639 1.00 0.00 C ATOM 455 C ILE A 32 -1.697 -4.403 0.697 1.00 0.00 C ATOM 456 O ILE A 32 -0.567 -4.876 0.818 1.00 0.00 O ATOM 457 CB ILE A 32 -1.437 -2.006 1.341 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.902 -0.894 2.283 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.638 -1.596 -0.111 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.829 0.128 2.589 1.00 0.00 C ATOM 0 H ILE A 32 -1.081 -3.689 3.374 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.261 -3.150 1.472 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.373 -2.176 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.759 -0.387 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.245 -1.340 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.095 -0.671 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.263 -2.382 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.700 -1.441 -0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.230 0.886 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.019 -0.366 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.503 0.601 1.663 1.00 0.00 H new ATOM 472 N THR A 33 -2.548 -4.798 -0.245 1.00 0.00 N ATOM 473 CA THR A 33 -2.195 -5.833 -1.209 1.00 0.00 C ATOM 474 C THR A 33 -1.531 -5.231 -2.442 1.00 0.00 C ATOM 475 O THR A 33 -2.171 -4.525 -3.223 1.00 0.00 O ATOM 476 CB THR A 33 -3.433 -6.638 -1.648 1.00 0.00 C ATOM 477 OG1 THR A 33 -4.066 -7.224 -0.505 1.00 0.00 O ATOM 478 CG2 THR A 33 -3.046 -7.730 -2.634 1.00 0.00 C ATOM 0 H THR A 33 -3.487 -4.417 -0.361 1.00 0.00 H new ATOM 0 HA THR A 33 -1.493 -6.503 -0.712 1.00 0.00 H new ATOM 0 HB THR A 33 -4.128 -5.956 -2.139 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.853 -7.733 -0.792 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.936 -8.285 -2.930 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.590 -7.279 -3.515 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.334 -8.409 -2.164 1.00 0.00 H new ATOM 486 N LEU A 34 -0.245 -5.515 -2.614 1.00 0.00 N ATOM 487 CA LEU A 34 0.507 -5.002 -3.754 1.00 0.00 C ATOM 488 C LEU A 34 -0.144 -5.422 -5.068 1.00 0.00 C ATOM 489 O LEU A 34 -0.253 -6.612 -5.367 1.00 0.00 O ATOM 490 CB LEU A 34 1.952 -5.501 -3.704 1.00 0.00 C ATOM 491 CG LEU A 34 2.964 -4.711 -4.534 1.00 0.00 C ATOM 492 CD1 LEU A 34 3.142 -3.311 -3.967 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.298 -5.442 -4.585 1.00 0.00 C ATOM 0 H LEU A 34 0.299 -6.098 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 34 0.504 -3.913 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.281 -5.496 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.969 -6.538 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 34 2.582 -4.623 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.866 -2.763 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.186 -2.788 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.502 -3.377 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.006 -4.865 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.686 -5.561 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.158 -6.423 -5.038 1.00 0.00 H new ATOM 505 N LEU A 35 -0.573 -4.438 -5.851 1.00 0.00 N ATOM 506 CA LEU A 35 -1.211 -4.706 -7.136 1.00 0.00 C ATOM 507 C LEU A 35 -0.210 -4.573 -8.279 1.00 0.00 C ATOM 508 O LEU A 35 0.034 -5.527 -9.016 1.00 0.00 O ATOM 509 CB LEU A 35 -2.382 -3.747 -7.354 1.00 0.00 C ATOM 510 CG LEU A 35 -3.623 -3.996 -6.495 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.652 -2.898 -6.713 1.00 0.00 C ATOM 512 CD2 LEU A 35 -4.222 -5.360 -6.807 1.00 0.00 C ATOM 0 H LEU A 35 -0.491 -3.448 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.585 -5.730 -7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.033 -2.731 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.675 -3.796 -8.403 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.325 -3.983 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.528 -3.092 -6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.220 -1.935 -6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.947 -2.879 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.104 -5.521 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.506 -5.401 -7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.486 -6.137 -6.599 1.00 0.00 H new ATOM 524 N GLU A 36 0.368 -3.383 -8.418 1.00 0.00 N ATOM 525 CA GLU A 36 1.344 -3.127 -9.470 1.00 0.00 C ATOM 526 C GLU A 36 2.645 -2.584 -8.886 1.00 0.00 C ATOM 527 O GLU A 36 2.637 -1.639 -8.097 1.00 0.00 O ATOM 528 CB GLU A 36 0.778 -2.136 -10.490 1.00 0.00 C ATOM 529 CG GLU A 36 0.035 -2.801 -11.637 1.00 0.00 C ATOM 530 CD GLU A 36 0.797 -3.975 -12.223 1.00 0.00 C ATOM 531 OE1 GLU A 36 2.023 -3.844 -12.426 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.168 -5.023 -12.479 1.00 0.00 O ATOM 0 H GLU A 36 0.177 -2.582 -7.816 1.00 0.00 H new ATOM 0 HA GLU A 36 1.557 -4.072 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.102 -1.449 -9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.595 -1.538 -10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.938 -3.144 -11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.150 -2.066 -12.420 1.00 0.00 H new ATOM 539 N ASP A 37 3.760 -3.189 -9.279 1.00 0.00 N ATOM 540 CA ASP A 37 5.070 -2.768 -8.795 1.00 0.00 C ATOM 541 C ASP A 37 5.839 -2.027 -9.885 1.00 0.00 C ATOM 542 O ASP A 37 7.034 -1.767 -9.747 1.00 0.00 O ATOM 543 CB ASP A 37 5.875 -3.977 -8.318 1.00 0.00 C ATOM 544 CG ASP A 37 6.036 -5.028 -9.399 1.00 0.00 C ATOM 545 OD1 ASP A 37 5.066 -5.774 -9.651 1.00 0.00 O ATOM 546 OD2 ASP A 37 7.132 -5.105 -9.993 1.00 0.00 O ATOM 0 H ASP A 37 3.783 -3.973 -9.931 1.00 0.00 H new ATOM 0 HA ASP A 37 4.919 -2.089 -7.956 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.860 -3.647 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.381 -4.421 -7.454 1.00 0.00 H new ATOM 551 N SER A 38 5.145 -1.691 -10.968 1.00 0.00 N ATOM 552 CA SER A 38 5.764 -0.985 -12.083 1.00 0.00 C ATOM 553 C SER A 38 6.442 0.296 -11.606 1.00 0.00 C ATOM 554 O SER A 38 7.550 0.620 -12.032 1.00 0.00 O ATOM 555 CB SER A 38 4.717 -0.655 -13.149 1.00 0.00 C ATOM 556 OG SER A 38 5.332 -0.332 -14.385 1.00 0.00 O ATOM 0 H SER A 38 4.154 -1.896 -11.097 1.00 0.00 H new ATOM 0 HA SER A 38 6.522 -1.636 -12.518 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.049 -1.506 -13.283 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.104 0.182 -12.814 1.00 0.00 H new ATOM 0 HG SER A 38 4.642 -0.127 -15.050 1.00 0.00 H new ATOM 562 N ASN A 39 5.768 1.020 -10.719 1.00 0.00 N ATOM 563 CA ASN A 39 6.304 2.266 -10.184 1.00 0.00 C ATOM 564 C ASN A 39 7.079 2.015 -8.894 1.00 0.00 C ATOM 565 O ASN A 39 6.492 1.898 -7.819 1.00 0.00 O ATOM 566 CB ASN A 39 5.172 3.263 -9.926 1.00 0.00 C ATOM 567 CG ASN A 39 4.667 3.907 -11.203 1.00 0.00 C ATOM 568 OD1 ASN A 39 4.471 3.234 -12.215 1.00 0.00 O ATOM 569 ND2 ASN A 39 4.454 5.217 -11.161 1.00 0.00 N ATOM 0 H ASN A 39 4.850 0.765 -10.355 1.00 0.00 H new ATOM 0 HA ASN A 39 6.988 2.685 -10.922 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.347 2.752 -9.429 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.523 4.039 -9.245 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.114 5.705 -11.990 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.630 5.735 -10.300 1.00 0.00 H new ATOM 576 N GLU A 40 8.401 1.934 -9.011 1.00 0.00 N ATOM 577 CA GLU A 40 9.256 1.697 -7.854 1.00 0.00 C ATOM 578 C GLU A 40 9.001 2.737 -6.766 1.00 0.00 C ATOM 579 O GLU A 40 8.805 2.395 -5.600 1.00 0.00 O ATOM 580 CB GLU A 40 10.729 1.725 -8.266 1.00 0.00 C ATOM 581 CG GLU A 40 11.136 3.001 -8.982 1.00 0.00 C ATOM 582 CD GLU A 40 12.342 2.806 -9.881 1.00 0.00 C ATOM 583 OE1 GLU A 40 12.264 1.973 -10.807 1.00 0.00 O ATOM 584 OE2 GLU A 40 13.365 3.488 -9.657 1.00 0.00 O ATOM 0 H GLU A 40 8.902 2.029 -9.894 1.00 0.00 H new ATOM 0 HA GLU A 40 9.017 0.712 -7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.349 1.604 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.932 0.873 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.298 3.362 -9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.358 3.772 -8.244 1.00 0.00 H new ATOM 591 N ASP A 41 9.006 4.006 -7.157 1.00 0.00 N ATOM 592 CA ASP A 41 8.775 5.097 -6.217 1.00 0.00 C ATOM 593 C ASP A 41 7.461 4.898 -5.467 1.00 0.00 C ATOM 594 O ASP A 41 7.438 4.857 -4.237 1.00 0.00 O ATOM 595 CB ASP A 41 8.758 6.438 -6.953 1.00 0.00 C ATOM 596 CG ASP A 41 7.737 6.471 -8.072 1.00 0.00 C ATOM 597 OD1 ASP A 41 6.538 6.655 -7.776 1.00 0.00 O ATOM 598 OD2 ASP A 41 8.136 6.313 -9.245 1.00 0.00 O ATOM 0 H ASP A 41 9.167 4.305 -8.119 1.00 0.00 H new ATOM 0 HA ASP A 41 9.590 5.099 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.541 7.236 -6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.748 6.637 -7.363 1.00 0.00 H new ATOM 603 N TRP A 42 6.371 4.777 -6.215 1.00 0.00 N ATOM 604 CA TRP A 42 5.053 4.584 -5.620 1.00 0.00 C ATOM 605 C TRP A 42 4.437 3.266 -6.078 1.00 0.00 C ATOM 606 O TRP A 42 4.416 2.961 -7.270 1.00 0.00 O ATOM 607 CB TRP A 42 4.130 5.747 -5.987 1.00 0.00 C ATOM 608 CG TRP A 42 4.520 7.041 -5.341 1.00 0.00 C ATOM 609 CD1 TRP A 42 5.779 7.562 -5.243 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.646 7.977 -4.700 1.00 0.00 C ATOM 611 NE1 TRP A 42 5.740 8.765 -4.581 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.443 9.043 -4.238 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.268 8.020 -4.475 1.00 0.00 C ATOM 614 CZ2 TRP A 42 3.905 10.136 -3.563 1.00 0.00 C ATOM 615 CZ3 TRP A 42 1.736 9.105 -3.804 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.553 10.151 -3.356 1.00 0.00 C ATOM 0 H TRP A 42 6.373 4.809 -7.234 1.00 0.00 H new ATOM 0 HA TRP A 42 5.172 4.551 -4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.131 5.875 -7.069 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.110 5.497 -5.697 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.674 7.096 -5.629 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.546 9.356 -4.378 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.630 7.220 -4.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.533 10.943 -3.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.672 9.147 -3.622 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.106 10.986 -2.837 1.00 0.00 H new ATOM 627 N TRP A 43 3.938 2.489 -5.123 1.00 0.00 N ATOM 628 CA TRP A 43 3.321 1.204 -5.429 1.00 0.00 C ATOM 629 C TRP A 43 1.812 1.258 -5.212 1.00 0.00 C ATOM 630 O TRP A 43 1.331 1.909 -4.285 1.00 0.00 O ATOM 631 CB TRP A 43 3.934 0.102 -4.563 1.00 0.00 C ATOM 632 CG TRP A 43 5.330 -0.263 -4.966 1.00 0.00 C ATOM 633 CD1 TRP A 43 5.871 -0.178 -6.218 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.363 -0.772 -4.115 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.177 -0.603 -6.195 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.503 -0.972 -4.917 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.435 -1.075 -2.753 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.699 -1.463 -4.400 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.623 -1.563 -2.242 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.742 -1.752 -3.063 1.00 0.00 C ATOM 0 H TRP A 43 3.949 2.726 -4.131 1.00 0.00 H new ATOM 0 HA TRP A 43 3.510 0.979 -6.479 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.937 0.427 -3.523 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.304 -0.786 -4.618 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.349 0.172 -7.096 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.803 -0.638 -7.000 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.578 -0.931 -2.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.562 -1.611 -5.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.690 -1.803 -1.191 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.656 -2.133 -2.633 1.00 0.00 H new ATOM 651 N LYS A 44 1.070 0.570 -6.073 1.00 0.00 N ATOM 652 CA LYS A 44 -0.384 0.538 -5.975 1.00 0.00 C ATOM 653 C LYS A 44 -0.848 -0.659 -5.151 1.00 0.00 C ATOM 654 O LYS A 44 -0.169 -1.683 -5.089 1.00 0.00 O ATOM 655 CB LYS A 44 -1.009 0.483 -7.371 1.00 0.00 C ATOM 656 CG LYS A 44 -2.444 0.978 -7.415 1.00 0.00 C ATOM 657 CD LYS A 44 -3.177 0.456 -8.640 1.00 0.00 C ATOM 658 CE LYS A 44 -4.671 0.723 -8.552 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.971 2.180 -8.480 1.00 0.00 N ATOM 0 H LYS A 44 1.452 0.027 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.709 1.450 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.406 1.082 -8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.977 -0.544 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.967 0.659 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.454 2.068 -7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.774 0.929 -9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.003 -0.615 -8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.169 0.292 -9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.078 0.225 -7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.856 2.378 -8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.074 2.465 -7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.193 2.716 -8.915 1.00 0.00 H new ATOM 673 N GLY A 45 -2.011 -0.523 -4.521 1.00 0.00 N ATOM 674 CA GLY A 45 -2.546 -1.602 -3.711 1.00 0.00 C ATOM 675 C GLY A 45 -4.053 -1.523 -3.563 1.00 0.00 C ATOM 676 O GLY A 45 -4.676 -0.549 -3.986 1.00 0.00 O ATOM 0 H GLY A 45 -2.592 0.315 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.278 -2.558 -4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.085 -1.574 -2.724 1.00 0.00 H new ATOM 680 N LYS A 46 -4.641 -2.552 -2.962 1.00 0.00 N ATOM 681 CA LYS A 46 -6.084 -2.597 -2.759 1.00 0.00 C ATOM 682 C LYS A 46 -6.420 -2.802 -1.285 1.00 0.00 C ATOM 683 O LYS A 46 -6.102 -3.840 -0.705 1.00 0.00 O ATOM 684 CB LYS A 46 -6.702 -3.720 -3.594 1.00 0.00 C ATOM 685 CG LYS A 46 -8.188 -3.916 -3.346 1.00 0.00 C ATOM 686 CD LYS A 46 -8.776 -4.962 -4.278 1.00 0.00 C ATOM 687 CE LYS A 46 -8.884 -4.441 -5.702 1.00 0.00 C ATOM 688 NZ LYS A 46 -9.919 -3.378 -5.827 1.00 0.00 N ATOM 0 H LYS A 46 -4.140 -3.366 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.501 -1.642 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.544 -3.505 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.180 -4.652 -3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.348 -4.218 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.709 -2.969 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.153 -5.856 -4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.763 -5.255 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.918 -4.047 -6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.127 -5.265 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.728 -3.743 -6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.238 -3.091 -4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.515 -2.556 -6.319 1.00 0.00 H new ATOM 702 N ILE A 47 -7.066 -1.806 -0.686 1.00 0.00 N ATOM 703 CA ILE A 47 -7.447 -1.879 0.719 1.00 0.00 C ATOM 704 C ILE A 47 -8.907 -2.290 0.871 1.00 0.00 C ATOM 705 O ILE A 47 -9.684 -2.220 -0.080 1.00 0.00 O ATOM 706 CB ILE A 47 -7.227 -0.533 1.432 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.751 -0.132 1.369 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.698 -0.615 2.876 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.465 1.218 1.989 1.00 0.00 C ATOM 0 H ILE A 47 -7.336 -0.940 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.810 -2.633 1.181 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.814 0.231 0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.155 -0.890 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.430 -0.120 0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.536 0.345 3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.760 -0.859 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.136 -1.389 3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.400 1.437 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.034 1.987 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.754 1.204 3.040 1.00 0.00 H new ATOM 721 N GLN A 48 -9.273 -2.718 2.075 1.00 0.00 N ATOM 722 CA GLN A 48 -10.641 -3.139 2.353 1.00 0.00 C ATOM 723 C GLN A 48 -11.638 -2.320 1.540 1.00 0.00 C ATOM 724 O GLN A 48 -12.225 -2.815 0.577 1.00 0.00 O ATOM 725 CB GLN A 48 -10.947 -3.002 3.845 1.00 0.00 C ATOM 726 CG GLN A 48 -10.059 -3.863 4.730 1.00 0.00 C ATOM 727 CD GLN A 48 -10.595 -5.271 4.899 1.00 0.00 C ATOM 728 OE1 GLN A 48 -11.699 -5.586 4.452 1.00 0.00 O ATOM 729 NE2 GLN A 48 -9.815 -6.128 5.548 1.00 0.00 N ATOM 0 H GLN A 48 -8.641 -2.782 2.873 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.737 -4.186 2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.833 -1.958 4.136 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.989 -3.270 4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.058 -3.908 4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.964 -3.394 5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.908 -5.825 5.902 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.123 -7.089 5.693 1.00 0.00 H new ATOM 738 N ASP A 49 -11.826 -1.066 1.934 1.00 0.00 N ATOM 739 CA ASP A 49 -12.752 -0.177 1.242 1.00 0.00 C ATOM 740 C ASP A 49 -12.009 0.995 0.607 1.00 0.00 C ATOM 741 O ASP A 49 -12.625 1.944 0.123 1.00 0.00 O ATOM 742 CB ASP A 49 -13.815 0.343 2.211 1.00 0.00 C ATOM 743 CG ASP A 49 -14.946 -0.647 2.414 1.00 0.00 C ATOM 744 OD1 ASP A 49 -15.255 -1.398 1.466 1.00 0.00 O ATOM 745 OD2 ASP A 49 -15.520 -0.670 3.523 1.00 0.00 O ATOM 0 H ASP A 49 -11.349 -0.641 2.730 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.240 -0.747 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.350 0.562 3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.221 1.281 1.832 1.00 0.00 H new ATOM 750 N ARG A 50 -10.682 0.920 0.613 1.00 0.00 N ATOM 751 CA ARG A 50 -9.855 1.975 0.040 1.00 0.00 C ATOM 752 C ARG A 50 -9.048 1.451 -1.144 1.00 0.00 C ATOM 753 O ARG A 50 -8.604 0.303 -1.145 1.00 0.00 O ATOM 754 CB ARG A 50 -8.911 2.546 1.101 1.00 0.00 C ATOM 755 CG ARG A 50 -9.482 3.745 1.842 1.00 0.00 C ATOM 756 CD ARG A 50 -10.394 3.314 2.980 1.00 0.00 C ATOM 757 NE ARG A 50 -11.787 3.209 2.554 1.00 0.00 N ATOM 758 CZ ARG A 50 -12.572 4.259 2.342 1.00 0.00 C ATOM 759 NH1 ARG A 50 -12.102 5.487 2.514 1.00 0.00 N ATOM 760 NH2 ARG A 50 -13.829 4.083 1.956 1.00 0.00 N ATOM 0 H ARG A 50 -10.157 0.140 1.008 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.515 2.767 -0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.672 1.764 1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.975 2.836 0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.667 4.352 2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.038 4.373 1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.060 2.352 3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.318 4.031 3.797 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.179 2.278 2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.136 5.627 2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.707 6.292 2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.194 3.140 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.430 4.891 1.794 1.00 0.00 H new ATOM 774 N ILE A 51 -8.865 2.300 -2.150 1.00 0.00 N ATOM 775 CA ILE A 51 -8.111 1.922 -3.340 1.00 0.00 C ATOM 776 C ILE A 51 -7.395 3.126 -3.942 1.00 0.00 C ATOM 777 O ILE A 51 -7.902 4.246 -3.903 1.00 0.00 O ATOM 778 CB ILE A 51 -9.025 1.295 -4.409 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.925 0.228 -3.780 1.00 0.00 C ATOM 780 CG2 ILE A 51 -8.193 0.698 -5.533 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.918 -0.372 -4.750 1.00 0.00 C ATOM 0 H ILE A 51 -9.228 3.253 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.373 1.184 -3.026 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.658 2.077 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.301 -0.568 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.467 0.669 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.853 0.259 -6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.591 1.480 -5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.537 -0.074 -5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.522 -1.120 -4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.566 0.413 -5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.382 -0.842 -5.575 1.00 0.00 H new ATOM 793 N GLY A 52 -6.213 2.885 -4.501 1.00 0.00 N ATOM 794 CA GLY A 52 -5.447 3.959 -5.106 1.00 0.00 C ATOM 795 C GLY A 52 -3.953 3.708 -5.050 1.00 0.00 C ATOM 796 O GLY A 52 -3.512 2.626 -4.662 1.00 0.00 O ATOM 0 H GLY A 52 -5.773 1.966 -4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.753 4.079 -6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.674 4.895 -4.596 1.00 0.00 H new ATOM 800 N PHE A 53 -3.171 4.710 -5.438 1.00 0.00 N ATOM 801 CA PHE A 53 -1.717 4.592 -5.432 1.00 0.00 C ATOM 802 C PHE A 53 -1.135 5.107 -4.119 1.00 0.00 C ATOM 803 O PHE A 53 -1.798 5.830 -3.374 1.00 0.00 O ATOM 804 CB PHE A 53 -1.117 5.366 -6.608 1.00 0.00 C ATOM 805 CG PHE A 53 -1.734 5.018 -7.932 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.402 3.836 -8.576 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.645 5.871 -8.533 1.00 0.00 C ATOM 808 CE1 PHE A 53 -1.968 3.514 -9.795 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.214 5.554 -9.752 1.00 0.00 C ATOM 810 CZ PHE A 53 -2.875 4.373 -10.384 1.00 0.00 C ATOM 0 H PHE A 53 -3.519 5.613 -5.761 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.462 3.537 -5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.238 6.434 -6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.046 5.170 -6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.694 3.160 -8.120 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.914 6.795 -8.043 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.701 2.590 -10.287 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.923 6.228 -10.210 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.318 4.122 -11.336 1.00 0.00 H new ATOM 820 N PHE A 54 0.108 4.729 -3.842 1.00 0.00 N ATOM 821 CA PHE A 54 0.781 5.151 -2.618 1.00 0.00 C ATOM 822 C PHE A 54 2.291 4.970 -2.738 1.00 0.00 C ATOM 823 O PHE A 54 2.783 4.106 -3.464 1.00 0.00 O ATOM 824 CB PHE A 54 0.253 4.356 -1.422 1.00 0.00 C ATOM 825 CG PHE A 54 0.547 2.886 -1.503 1.00 0.00 C ATOM 826 CD1 PHE A 54 -0.328 2.025 -2.146 1.00 0.00 C ATOM 827 CD2 PHE A 54 1.698 2.363 -0.935 1.00 0.00 C ATOM 828 CE1 PHE A 54 -0.061 0.671 -2.223 1.00 0.00 C ATOM 829 CE2 PHE A 54 1.971 1.010 -1.009 1.00 0.00 C ATOM 830 CZ PHE A 54 1.090 0.163 -1.653 1.00 0.00 C ATOM 0 H PHE A 54 0.670 4.131 -4.448 1.00 0.00 H new ATOM 0 HA PHE A 54 0.572 6.209 -2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.691 4.756 -0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.825 4.499 -1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.230 2.417 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.390 3.020 -0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.751 0.011 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.872 0.615 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.301 -0.895 -1.711 1.00 0.00 H new ATOM 840 N PRO A 55 3.046 5.805 -2.008 1.00 0.00 N ATOM 841 CA PRO A 55 4.511 5.759 -2.015 1.00 0.00 C ATOM 842 C PRO A 55 5.054 4.510 -1.327 1.00 0.00 C ATOM 843 O PRO A 55 4.413 3.952 -0.437 1.00 0.00 O ATOM 844 CB PRO A 55 4.909 7.014 -1.236 1.00 0.00 C ATOM 845 CG PRO A 55 3.743 7.299 -0.353 1.00 0.00 C ATOM 846 CD PRO A 55 2.527 6.859 -1.120 1.00 0.00 C ATOM 0 HA PRO A 55 4.913 5.724 -3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.815 6.847 -0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.111 7.849 -1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.826 6.759 0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.688 8.360 -0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.750 6.479 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.089 7.682 -1.686 1.00 0.00 H new ATOM 854 N ALA A 56 6.239 4.078 -1.746 1.00 0.00 N ATOM 855 CA ALA A 56 6.869 2.897 -1.168 1.00 0.00 C ATOM 856 C ALA A 56 7.557 3.232 0.150 1.00 0.00 C ATOM 857 O ALA A 56 7.645 2.393 1.046 1.00 0.00 O ATOM 858 CB ALA A 56 7.865 2.298 -2.149 1.00 0.00 C ATOM 0 H ALA A 56 6.782 4.528 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 56 6.090 2.162 -0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.328 1.417 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.347 2.013 -3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.634 3.034 -2.381 1.00 0.00 H new ATOM 864 N ASN A 57 8.045 4.463 0.262 1.00 0.00 N ATOM 865 CA ASN A 57 8.728 4.908 1.472 1.00 0.00 C ATOM 866 C ASN A 57 7.779 4.898 2.667 1.00 0.00 C ATOM 867 O ASN A 57 8.212 4.804 3.815 1.00 0.00 O ATOM 868 CB ASN A 57 9.299 6.313 1.272 1.00 0.00 C ATOM 869 CG ASN A 57 9.608 7.004 2.587 1.00 0.00 C ATOM 870 OD1 ASN A 57 10.022 6.365 3.554 1.00 0.00 O ATOM 871 ND2 ASN A 57 9.406 8.316 2.627 1.00 0.00 N ATOM 0 H ASN A 57 7.980 5.170 -0.470 1.00 0.00 H new ATOM 0 HA ASN A 57 9.545 4.216 1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.209 6.251 0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.587 6.915 0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.595 8.835 3.484 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.062 8.804 1.800 1.00 0.00 H new ATOM 878 N PHE A 58 6.483 4.993 2.387 1.00 0.00 N ATOM 879 CA PHE A 58 5.473 4.995 3.439 1.00 0.00 C ATOM 880 C PHE A 58 5.230 3.582 3.962 1.00 0.00 C ATOM 881 O PHE A 58 4.957 3.385 5.146 1.00 0.00 O ATOM 882 CB PHE A 58 4.163 5.589 2.916 1.00 0.00 C ATOM 883 CG PHE A 58 4.140 7.091 2.928 1.00 0.00 C ATOM 884 CD1 PHE A 58 5.200 7.818 2.412 1.00 0.00 C ATOM 885 CD2 PHE A 58 3.056 7.776 3.454 1.00 0.00 C ATOM 886 CE1 PHE A 58 5.181 9.200 2.422 1.00 0.00 C ATOM 887 CE2 PHE A 58 3.031 9.158 3.467 1.00 0.00 C ATOM 888 CZ PHE A 58 4.095 9.870 2.949 1.00 0.00 C ATOM 0 H PHE A 58 6.108 5.070 1.442 1.00 0.00 H new ATOM 0 HA PHE A 58 5.841 5.610 4.260 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.996 5.239 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.337 5.216 3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.051 7.299 1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.221 7.223 3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.015 9.755 2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.181 9.680 3.881 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.078 10.950 2.956 1.00 0.00 H new ATOM 898 N VAL A 59 5.332 2.602 3.071 1.00 0.00 N ATOM 899 CA VAL A 59 5.124 1.207 3.441 1.00 0.00 C ATOM 900 C VAL A 59 6.452 0.471 3.576 1.00 0.00 C ATOM 901 O VAL A 59 7.465 0.892 3.019 1.00 0.00 O ATOM 902 CB VAL A 59 4.246 0.476 2.408 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.878 1.134 2.308 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.934 0.448 1.051 1.00 0.00 C ATOM 0 H VAL A 59 5.558 2.748 2.087 1.00 0.00 H new ATOM 0 HA VAL A 59 4.613 1.208 4.404 1.00 0.00 H new ATOM 0 HB VAL A 59 4.104 -0.552 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.272 0.604 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.385 1.098 3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.996 2.173 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.300 -0.072 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.107 1.469 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.888 -0.073 1.137 1.00 0.00 H new ATOM 914 N GLN A 60 6.439 -0.632 4.318 1.00 0.00 N ATOM 915 CA GLN A 60 7.643 -1.427 4.525 1.00 0.00 C ATOM 916 C GLN A 60 7.386 -2.897 4.208 1.00 0.00 C ATOM 917 O GLN A 60 6.526 -3.532 4.817 1.00 0.00 O ATOM 918 CB GLN A 60 8.133 -1.283 5.967 1.00 0.00 C ATOM 919 CG GLN A 60 9.416 -2.047 6.253 1.00 0.00 C ATOM 920 CD GLN A 60 9.976 -1.752 7.630 1.00 0.00 C ATOM 921 OE1 GLN A 60 9.877 -2.572 8.543 1.00 0.00 O ATOM 922 NE2 GLN A 60 10.570 -0.574 7.787 1.00 0.00 N ATOM 0 H GLN A 60 5.608 -0.995 4.785 1.00 0.00 H new ATOM 0 HA GLN A 60 8.413 -1.057 3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.293 -0.227 6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.353 -1.633 6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.225 -3.116 6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.162 -1.793 5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.630 0.076 7.003 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.966 -0.319 8.692 1.00 0.00 H new ATOM 931 N ARG A 61 8.137 -3.430 3.250 1.00 0.00 N ATOM 932 CA ARG A 61 7.990 -4.825 2.851 1.00 0.00 C ATOM 933 C ARG A 61 8.007 -5.744 4.069 1.00 0.00 C ATOM 934 O ARG A 61 8.898 -5.655 4.915 1.00 0.00 O ATOM 935 CB ARG A 61 9.107 -5.222 1.884 1.00 0.00 C ATOM 936 CG ARG A 61 8.968 -6.634 1.340 1.00 0.00 C ATOM 937 CD ARG A 61 9.565 -6.756 -0.053 1.00 0.00 C ATOM 938 NE ARG A 61 11.026 -6.759 -0.024 1.00 0.00 N ATOM 939 CZ ARG A 61 11.752 -7.817 0.317 1.00 0.00 C ATOM 940 NH1 ARG A 61 11.157 -8.952 0.656 1.00 0.00 N ATOM 941 NH2 ARG A 61 13.077 -7.742 0.319 1.00 0.00 N ATOM 0 H ARG A 61 8.853 -2.917 2.736 1.00 0.00 H new ATOM 0 HA ARG A 61 7.029 -4.933 2.349 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.121 -4.520 1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.066 -5.131 2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.464 -7.334 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.914 -6.912 1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.210 -7.674 -0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.216 -5.928 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 61 11.515 -5.901 -0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.139 -9.014 0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.717 -9.763 0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.539 -6.871 0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.633 -8.556 0.581 1.00 0.00 H new ATOM 955 N LEU A 62 7.017 -6.626 4.152 1.00 0.00 N ATOM 956 CA LEU A 62 6.917 -7.561 5.267 1.00 0.00 C ATOM 957 C LEU A 62 7.661 -8.857 4.959 1.00 0.00 C ATOM 958 O LEU A 62 7.577 -9.384 3.849 1.00 0.00 O ATOM 959 CB LEU A 62 5.450 -7.864 5.575 1.00 0.00 C ATOM 960 CG LEU A 62 4.714 -6.823 6.420 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.235 -7.166 6.519 1.00 0.00 C ATOM 962 CD2 LEU A 62 5.334 -6.725 7.806 1.00 0.00 C ATOM 0 H LEU A 62 6.272 -6.713 3.461 1.00 0.00 H new ATOM 0 HA LEU A 62 7.377 -7.097 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.917 -7.979 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.398 -8.823 6.090 1.00 0.00 H new ATOM 0 HG LEU A 62 4.810 -5.853 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.727 -6.415 7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.798 -7.184 5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.119 -8.145 6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.797 -5.980 8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.269 -7.693 8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.380 -6.432 7.717 1.00 0.00 H new