USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 500 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 1 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.7) USER MOD Single : A 1 GLN N :NH3+ -173:sc= 0 (180deg=-0.0697) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00962 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00765 USER MOD Single : A 4 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.15) USER MOD Single : A 8 SER OG : rot -91:sc= 1.27 USER MOD Single : A 9 TYR OH : rot 47:sc= 0.0278 USER MOD Single : A 10 GLN : amide:sc= 0.249 K(o=0.25,f=-3.1!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.841 USER MOD Single : A 15 TYR OH : rot 169:sc= 1.25 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 19 ASN : amide:sc=-0.00568 K(o=-0.0057,f=-0.8) USER MOD Single : A 34 MET CE :methyl -131:sc= -2.34 (180deg=-2.67!) USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= -2.13! (180deg=-3.74!) USER MOD Single : A 37 CYS SG : rot 96:sc= -0.049 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 54:sc= 0.707 USER MOD Single : A 49 THR OG1 : rot 15:sc= 0.384! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -1.69! X(o=-1.7!,f=-1.8) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -23.674 -3.876 -3.410 1.00 0.00 N ATOM 2 CA GLN A 1 -23.102 -4.282 -2.106 1.00 0.00 C ATOM 3 C GLN A 1 -21.824 -5.094 -2.272 1.00 0.00 C ATOM 4 O GLN A 1 -20.920 -5.007 -1.439 1.00 0.00 O ATOM 5 CB GLN A 1 -24.116 -5.079 -1.288 1.00 0.00 C ATOM 6 CG GLN A 1 -25.166 -4.215 -0.609 1.00 0.00 C ATOM 7 CD GLN A 1 -24.554 -3.068 0.169 1.00 0.00 C ATOM 8 OE1 GLN A 1 -24.413 -1.959 -0.345 1.00 0.00 O ATOM 9 NE2 GLN A 1 -24.159 -3.329 1.402 1.00 0.00 N ATOM 0 H1 GLN A 1 -24.472 -3.228 -3.252 1.00 0.00 H new ATOM 0 H2 GLN A 1 -22.945 -3.395 -3.975 1.00 0.00 H new ATOM 0 H3 GLN A 1 -24.007 -4.719 -3.920 1.00 0.00 H new ATOM 0 HA GLN A 1 -22.854 -3.365 -1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -24.614 -5.795 -1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -23.586 -5.655 -0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -25.848 -3.818 -1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -25.760 -4.832 0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -24.293 -4.261 1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -23.720 -2.598 1.962 1.00 0.00 H new ATOM 20 N THR A 2 -21.726 -5.871 -3.347 1.00 0.00 N ATOM 21 CA THR A 2 -20.563 -6.728 -3.554 1.00 0.00 C ATOM 22 C THR A 2 -19.390 -5.947 -4.145 1.00 0.00 C ATOM 23 O THR A 2 -18.741 -6.391 -5.090 1.00 0.00 O ATOM 24 CB THR A 2 -20.905 -7.930 -4.456 1.00 0.00 C ATOM 25 OG1 THR A 2 -21.638 -7.491 -5.606 1.00 0.00 O ATOM 26 CG2 THR A 2 -21.718 -8.964 -3.692 1.00 0.00 C ATOM 0 H THR A 2 -22.431 -5.925 -4.082 1.00 0.00 H new ATOM 0 HA THR A 2 -20.267 -7.104 -2.575 1.00 0.00 H new ATOM 0 HB THR A 2 -19.971 -8.391 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 2 -21.849 -8.262 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 2 -21.948 -9.803 -4.348 1.00 0.00 H new ATOM 0 HG22 THR A 2 -21.143 -9.319 -2.837 1.00 0.00 H new ATOM 0 HG23 THR A 2 -22.646 -8.512 -3.343 1.00 0.00 H new ATOM 34 N SER A 3 -19.136 -4.772 -3.587 1.00 0.00 N ATOM 35 CA SER A 3 -17.999 -3.961 -3.981 1.00 0.00 C ATOM 36 C SER A 3 -16.893 -4.057 -2.934 1.00 0.00 C ATOM 37 O SER A 3 -15.739 -3.710 -3.192 1.00 0.00 O ATOM 38 CB SER A 3 -18.444 -2.511 -4.168 1.00 0.00 C ATOM 39 OG SER A 3 -19.372 -2.137 -3.161 1.00 0.00 O ATOM 0 H SER A 3 -19.710 -4.358 -2.853 1.00 0.00 H new ATOM 0 HA SER A 3 -17.603 -4.331 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.577 -1.852 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.898 -2.389 -5.151 1.00 0.00 H new ATOM 0 HG SER A 3 -19.644 -1.205 -3.296 1.00 0.00 H new ATOM 45 N GLN A 4 -17.258 -4.545 -1.754 1.00 0.00 N ATOM 46 CA GLN A 4 -16.300 -4.741 -0.676 1.00 0.00 C ATOM 47 C GLN A 4 -15.808 -6.182 -0.695 1.00 0.00 C ATOM 48 O GLN A 4 -15.947 -6.871 -1.706 1.00 0.00 O ATOM 49 CB GLN A 4 -16.935 -4.434 0.682 1.00 0.00 C ATOM 50 CG GLN A 4 -16.009 -3.684 1.628 1.00 0.00 C ATOM 51 CD GLN A 4 -15.728 -2.260 1.173 1.00 0.00 C ATOM 52 OE1 GLN A 4 -14.653 -1.719 1.420 1.00 0.00 O ATOM 53 NE2 GLN A 4 -16.706 -1.631 0.537 1.00 0.00 N ATOM 0 H GLN A 4 -18.214 -4.813 -1.521 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.463 -4.059 -0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.839 -3.844 0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -17.241 -5.369 1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -16.454 -3.661 2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -15.067 -4.226 1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.585 -2.113 0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.579 -0.665 0.235 1.00 0.00 H new ATOM 62 N ASP A 5 -15.245 -6.628 0.430 1.00 0.00 N ATOM 63 CA ASP A 5 -14.693 -7.985 0.548 1.00 0.00 C ATOM 64 C ASP A 5 -13.589 -8.196 -0.492 1.00 0.00 C ATOM 65 O ASP A 5 -13.275 -9.317 -0.889 1.00 0.00 O ATOM 66 CB ASP A 5 -15.811 -9.032 0.397 1.00 0.00 C ATOM 67 CG ASP A 5 -15.343 -10.460 0.630 1.00 0.00 C ATOM 68 OD1 ASP A 5 -14.875 -10.765 1.746 1.00 0.00 O ATOM 69 OD2 ASP A 5 -15.463 -11.289 -0.300 1.00 0.00 O ATOM 0 H ASP A 5 -15.158 -6.068 1.278 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.253 -8.107 1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.611 -8.801 1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.235 -8.956 -0.604 1.00 0.00 H new ATOM 74 N LEU A 6 -12.987 -7.098 -0.918 1.00 0.00 N ATOM 75 CA LEU A 6 -11.983 -7.136 -1.961 1.00 0.00 C ATOM 76 C LEU A 6 -10.592 -6.968 -1.356 1.00 0.00 C ATOM 77 O LEU A 6 -9.769 -6.227 -1.875 1.00 0.00 O ATOM 78 CB LEU A 6 -12.273 -6.045 -2.997 1.00 0.00 C ATOM 79 CG LEU A 6 -11.438 -6.110 -4.279 1.00 0.00 C ATOM 80 CD1 LEU A 6 -11.682 -7.420 -5.013 1.00 0.00 C ATOM 81 CD2 LEU A 6 -11.757 -4.926 -5.177 1.00 0.00 C ATOM 0 H LEU A 6 -13.180 -6.165 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.016 -8.103 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -13.327 -6.098 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -12.113 -5.073 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.383 -6.064 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -11.079 -7.446 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.405 -8.255 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.737 -7.499 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.156 -4.985 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -12.815 -4.944 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.529 -3.999 -4.651 1.00 0.00 H new ATOM 93 N PHE A 7 -10.370 -7.656 -0.236 1.00 0.00 N ATOM 94 CA PHE A 7 -9.074 -7.681 0.454 1.00 0.00 C ATOM 95 C PHE A 7 -8.650 -6.307 0.975 1.00 0.00 C ATOM 96 O PHE A 7 -8.309 -5.409 0.210 1.00 0.00 O ATOM 97 CB PHE A 7 -7.986 -8.250 -0.459 1.00 0.00 C ATOM 98 CG PHE A 7 -7.635 -9.676 -0.155 1.00 0.00 C ATOM 99 CD1 PHE A 7 -6.709 -9.970 0.831 1.00 0.00 C ATOM 100 CD2 PHE A 7 -8.225 -10.719 -0.849 1.00 0.00 C ATOM 101 CE1 PHE A 7 -6.379 -11.275 1.122 1.00 0.00 C ATOM 102 CE2 PHE A 7 -7.897 -12.030 -0.562 1.00 0.00 C ATOM 103 CZ PHE A 7 -6.973 -12.308 0.425 1.00 0.00 C ATOM 0 H PHE A 7 -11.088 -8.217 0.224 1.00 0.00 H new ATOM 0 HA PHE A 7 -9.200 -8.330 1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.318 -8.179 -1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.090 -7.636 -0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.240 -9.166 1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -8.948 -10.506 -1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.656 -11.490 1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.363 -12.836 -1.109 1.00 0.00 H new ATOM 0 HZ PHE A 7 -6.715 -13.332 0.652 1.00 0.00 H new ATOM 113 N SER A 8 -8.641 -6.159 2.286 1.00 0.00 N ATOM 114 CA SER A 8 -8.196 -4.923 2.905 1.00 0.00 C ATOM 115 C SER A 8 -6.993 -5.185 3.806 1.00 0.00 C ATOM 116 O SER A 8 -6.964 -6.168 4.546 1.00 0.00 O ATOM 117 CB SER A 8 -9.327 -4.308 3.732 1.00 0.00 C ATOM 118 OG SER A 8 -10.528 -4.194 2.981 1.00 0.00 O ATOM 0 H SER A 8 -8.937 -6.880 2.944 1.00 0.00 H new ATOM 0 HA SER A 8 -7.908 -4.228 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.507 -4.922 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.024 -3.322 4.085 1.00 0.00 H new ATOM 0 HG SER A 8 -10.557 -3.319 2.541 1.00 0.00 H new ATOM 124 N TYR A 9 -5.993 -4.321 3.731 1.00 0.00 N ATOM 125 CA TYR A 9 -4.868 -4.392 4.650 1.00 0.00 C ATOM 126 C TYR A 9 -4.771 -3.101 5.436 1.00 0.00 C ATOM 127 O TYR A 9 -5.243 -2.060 4.985 1.00 0.00 O ATOM 128 CB TYR A 9 -3.543 -4.604 3.919 1.00 0.00 C ATOM 129 CG TYR A 9 -3.479 -5.823 3.032 1.00 0.00 C ATOM 130 CD1 TYR A 9 -4.039 -7.036 3.409 1.00 0.00 C ATOM 131 CD2 TYR A 9 -2.838 -5.748 1.812 1.00 0.00 C ATOM 132 CE1 TYR A 9 -3.957 -8.142 2.584 1.00 0.00 C ATOM 133 CE2 TYR A 9 -2.748 -6.841 0.983 1.00 0.00 C ATOM 134 CZ TYR A 9 -3.309 -8.039 1.372 1.00 0.00 C ATOM 135 OH TYR A 9 -3.219 -9.136 0.547 1.00 0.00 O ATOM 0 H TYR A 9 -5.937 -3.566 3.047 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.044 -5.242 5.309 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.338 -3.723 3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.746 -4.673 4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.545 -7.117 4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.398 -4.812 1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.398 -9.080 2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.241 -6.762 0.033 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.097 -9.567 0.479 1.00 0.00 H new ATOM 145 N GLN A 10 -4.157 -3.164 6.600 1.00 0.00 N ATOM 146 CA GLN A 10 -3.870 -1.963 7.363 1.00 0.00 C ATOM 147 C GLN A 10 -2.370 -1.704 7.322 1.00 0.00 C ATOM 148 O GLN A 10 -1.571 -2.627 7.456 1.00 0.00 O ATOM 149 CB GLN A 10 -4.347 -2.090 8.807 1.00 0.00 C ATOM 150 CG GLN A 10 -4.274 -0.775 9.560 1.00 0.00 C ATOM 151 CD GLN A 10 -4.555 -0.924 11.041 1.00 0.00 C ATOM 152 OE1 GLN A 10 -4.284 -1.966 11.637 1.00 0.00 O ATOM 153 NE2 GLN A 10 -5.091 0.125 11.643 1.00 0.00 N ATOM 0 H GLN A 10 -3.847 -4.031 7.039 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.407 -1.125 6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.374 -2.454 8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.740 -2.835 9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.283 -0.340 9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.990 -0.076 9.129 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.299 0.969 11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.296 0.090 12.642 1.00 0.00 H new ATOM 162 N ALA A 11 -1.995 -0.459 7.113 1.00 0.00 N ATOM 163 CA ALA A 11 -0.600 -0.088 6.959 1.00 0.00 C ATOM 164 C ALA A 11 0.159 -0.158 8.278 1.00 0.00 C ATOM 165 O ALA A 11 -0.317 0.302 9.318 1.00 0.00 O ATOM 166 CB ALA A 11 -0.510 1.306 6.379 1.00 0.00 C ATOM 0 H ALA A 11 -2.645 0.324 7.045 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.135 -0.803 6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.537 1.585 6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.001 1.328 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.001 2.011 7.049 1.00 0.00 H new ATOM 172 N LEU A 12 1.345 -0.739 8.212 1.00 0.00 N ATOM 173 CA LEU A 12 2.216 -0.886 9.370 1.00 0.00 C ATOM 174 C LEU A 12 3.092 0.346 9.562 1.00 0.00 C ATOM 175 O LEU A 12 3.524 0.645 10.672 1.00 0.00 O ATOM 176 CB LEU A 12 3.099 -2.119 9.188 1.00 0.00 C ATOM 177 CG LEU A 12 2.370 -3.454 9.291 1.00 0.00 C ATOM 178 CD1 LEU A 12 2.967 -4.464 8.329 1.00 0.00 C ATOM 179 CD2 LEU A 12 2.423 -3.981 10.716 1.00 0.00 C ATOM 0 H LEU A 12 1.734 -1.124 7.351 1.00 0.00 H new ATOM 0 HA LEU A 12 1.592 -1.001 10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.583 -2.060 8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.890 -2.095 9.938 1.00 0.00 H new ATOM 0 HG LEU A 12 1.326 -3.297 9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.433 -5.410 8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.878 -4.091 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.019 -4.617 8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.898 -4.935 10.771 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.462 -4.121 11.014 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.947 -3.265 11.387 1.00 0.00 H new ATOM 191 N TYR A 13 3.364 1.048 8.469 1.00 0.00 N ATOM 192 CA TYR A 13 4.243 2.214 8.504 1.00 0.00 C ATOM 193 C TYR A 13 3.720 3.296 7.573 1.00 0.00 C ATOM 194 O TYR A 13 2.830 3.054 6.757 1.00 0.00 O ATOM 195 CB TYR A 13 5.669 1.843 8.068 1.00 0.00 C ATOM 196 CG TYR A 13 6.352 0.794 8.921 1.00 0.00 C ATOM 197 CD1 TYR A 13 7.058 1.151 10.062 1.00 0.00 C ATOM 198 CD2 TYR A 13 6.300 -0.550 8.574 1.00 0.00 C ATOM 199 CE1 TYR A 13 7.690 0.196 10.836 1.00 0.00 C ATOM 200 CE2 TYR A 13 6.930 -1.509 9.342 1.00 0.00 C ATOM 201 CZ TYR A 13 7.623 -1.131 10.472 1.00 0.00 C ATOM 202 OH TYR A 13 8.259 -2.084 11.237 1.00 0.00 O ATOM 0 H TYR A 13 2.989 0.831 7.546 1.00 0.00 H new ATOM 0 HA TYR A 13 4.263 2.580 9.531 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.636 1.486 7.039 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.280 2.746 8.073 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.114 2.191 10.349 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.758 -0.850 7.689 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.234 0.489 11.722 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.880 -2.550 9.059 1.00 0.00 H new ATOM 0 HH TYR A 13 8.113 -2.970 10.844 1.00 0.00 H new ATOM 212 N SER A 14 4.286 4.485 7.697 1.00 0.00 N ATOM 213 CA SER A 14 3.973 5.583 6.805 1.00 0.00 C ATOM 214 C SER A 14 5.016 5.642 5.691 1.00 0.00 C ATOM 215 O SER A 14 6.214 5.767 5.958 1.00 0.00 O ATOM 216 CB SER A 14 3.942 6.900 7.582 1.00 0.00 C ATOM 217 OG SER A 14 3.098 6.791 8.715 1.00 0.00 O ATOM 0 H SER A 14 4.972 4.713 8.416 1.00 0.00 H new ATOM 0 HA SER A 14 2.989 5.424 6.364 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.951 7.166 7.898 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.589 7.702 6.934 1.00 0.00 H new ATOM 0 HG SER A 14 3.091 7.642 9.201 1.00 0.00 H new ATOM 223 N TYR A 15 4.561 5.538 4.455 1.00 0.00 N ATOM 224 CA TYR A 15 5.455 5.485 3.309 1.00 0.00 C ATOM 225 C TYR A 15 5.082 6.541 2.285 1.00 0.00 C ATOM 226 O TYR A 15 3.905 6.757 1.989 1.00 0.00 O ATOM 227 CB TYR A 15 5.416 4.090 2.673 1.00 0.00 C ATOM 228 CG TYR A 15 6.115 3.981 1.334 1.00 0.00 C ATOM 229 CD1 TYR A 15 7.488 3.793 1.238 1.00 0.00 C ATOM 230 CD2 TYR A 15 5.380 4.046 0.161 1.00 0.00 C ATOM 231 CE1 TYR A 15 8.105 3.680 0.005 1.00 0.00 C ATOM 232 CE2 TYR A 15 5.984 3.930 -1.070 1.00 0.00 C ATOM 233 CZ TYR A 15 7.345 3.747 -1.147 1.00 0.00 C ATOM 234 OH TYR A 15 7.946 3.633 -2.379 1.00 0.00 O ATOM 0 H TYR A 15 3.570 5.488 4.217 1.00 0.00 H new ATOM 0 HA TYR A 15 6.469 5.688 3.654 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.871 3.379 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.375 3.792 2.549 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.082 3.734 2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.311 4.191 0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.174 3.540 -0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.392 3.982 -1.972 1.00 0.00 H new ATOM 0 HH TYR A 15 7.259 3.526 -3.070 1.00 0.00 H new ATOM 244 N ILE A 16 6.104 7.178 1.745 1.00 0.00 N ATOM 245 CA ILE A 16 5.930 8.210 0.745 1.00 0.00 C ATOM 246 C ILE A 16 6.329 7.670 -0.622 1.00 0.00 C ATOM 247 O ILE A 16 7.504 7.383 -0.869 1.00 0.00 O ATOM 248 CB ILE A 16 6.769 9.462 1.077 1.00 0.00 C ATOM 249 CG1 ILE A 16 6.342 10.051 2.427 1.00 0.00 C ATOM 250 CG2 ILE A 16 6.647 10.508 -0.027 1.00 0.00 C ATOM 251 CD1 ILE A 16 4.880 10.442 2.488 1.00 0.00 C ATOM 0 H ILE A 16 7.077 6.993 1.988 1.00 0.00 H new ATOM 0 HA ILE A 16 4.880 8.501 0.735 1.00 0.00 H new ATOM 0 HB ILE A 16 7.815 9.162 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.547 9.323 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.952 10.929 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.247 11.381 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.003 10.088 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.603 10.804 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.653 10.850 3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.672 11.194 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.261 9.563 2.308 1.00 0.00 H new ATOM 263 N PRO A 17 5.344 7.488 -1.507 1.00 0.00 N ATOM 264 CA PRO A 17 5.566 6.960 -2.855 1.00 0.00 C ATOM 265 C PRO A 17 6.576 7.785 -3.639 1.00 0.00 C ATOM 266 O PRO A 17 6.530 9.018 -3.634 1.00 0.00 O ATOM 267 CB PRO A 17 4.187 7.060 -3.505 1.00 0.00 C ATOM 268 CG PRO A 17 3.236 7.036 -2.364 1.00 0.00 C ATOM 269 CD PRO A 17 3.923 7.773 -1.257 1.00 0.00 C ATOM 0 HA PRO A 17 5.974 5.949 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.087 7.977 -4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.009 6.229 -4.188 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.293 7.515 -2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.002 6.013 -2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.713 8.842 -1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.606 7.417 -0.277 1.00 0.00 H new ATOM 277 N GLN A 18 7.486 7.094 -4.306 1.00 0.00 N ATOM 278 CA GLN A 18 8.507 7.747 -5.100 1.00 0.00 C ATOM 279 C GLN A 18 7.922 8.116 -6.448 1.00 0.00 C ATOM 280 O GLN A 18 8.326 9.090 -7.083 1.00 0.00 O ATOM 281 CB GLN A 18 9.722 6.829 -5.252 1.00 0.00 C ATOM 282 CG GLN A 18 10.168 6.222 -3.931 1.00 0.00 C ATOM 283 CD GLN A 18 11.462 5.441 -4.031 1.00 0.00 C ATOM 284 OE1 GLN A 18 11.799 4.893 -5.082 1.00 0.00 O ATOM 285 NE2 GLN A 18 12.190 5.371 -2.927 1.00 0.00 N ATOM 0 H GLN A 18 7.536 6.075 -4.311 1.00 0.00 H new ATOM 0 HA GLN A 18 8.842 8.657 -4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.482 6.029 -5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.548 7.394 -5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.289 7.019 -3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.383 5.563 -3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.875 5.840 -2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.066 4.849 -2.926 1.00 0.00 H new ATOM 294 N ASN A 19 6.954 7.325 -6.856 1.00 0.00 N ATOM 295 CA ASN A 19 6.152 7.602 -8.024 1.00 0.00 C ATOM 296 C ASN A 19 4.716 7.837 -7.583 1.00 0.00 C ATOM 297 O ASN A 19 4.230 7.175 -6.670 1.00 0.00 O ATOM 298 CB ASN A 19 6.200 6.414 -8.979 1.00 0.00 C ATOM 299 CG ASN A 19 7.513 6.287 -9.730 1.00 0.00 C ATOM 300 OD1 ASN A 19 8.171 7.279 -10.045 1.00 0.00 O ATOM 301 ND2 ASN A 19 7.908 5.057 -10.011 1.00 0.00 N ATOM 0 H ASN A 19 6.700 6.460 -6.378 1.00 0.00 H new ATOM 0 HA ASN A 19 6.538 8.484 -8.535 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.025 5.498 -8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.387 6.505 -9.699 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.787 4.904 -10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.334 4.261 -9.733 1.00 0.00 H new ATOM 308 N ASP A 20 4.031 8.768 -8.231 1.00 0.00 N ATOM 309 CA ASP A 20 2.637 9.056 -7.894 1.00 0.00 C ATOM 310 C ASP A 20 1.728 7.962 -8.443 1.00 0.00 C ATOM 311 O ASP A 20 0.509 7.995 -8.272 1.00 0.00 O ATOM 312 CB ASP A 20 2.211 10.420 -8.436 1.00 0.00 C ATOM 313 CG ASP A 20 2.177 10.467 -9.946 1.00 0.00 C ATOM 314 OD1 ASP A 20 3.259 10.496 -10.569 1.00 0.00 O ATOM 315 OD2 ASP A 20 1.070 10.479 -10.520 1.00 0.00 O ATOM 0 H ASP A 20 4.411 9.336 -8.989 1.00 0.00 H new ATOM 0 HA ASP A 20 2.547 9.081 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.223 10.668 -8.047 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.898 11.182 -8.069 1.00 0.00 H new ATOM 320 N ASP A 21 2.344 6.998 -9.114 1.00 0.00 N ATOM 321 CA ASP A 21 1.659 5.793 -9.559 1.00 0.00 C ATOM 322 C ASP A 21 1.396 4.893 -8.354 1.00 0.00 C ATOM 323 O ASP A 21 0.571 3.978 -8.398 1.00 0.00 O ATOM 324 CB ASP A 21 2.525 5.060 -10.591 1.00 0.00 C ATOM 325 CG ASP A 21 1.738 4.095 -11.455 1.00 0.00 C ATOM 326 OD1 ASP A 21 1.533 2.936 -11.043 1.00 0.00 O ATOM 327 OD2 ASP A 21 1.340 4.491 -12.574 1.00 0.00 O ATOM 0 H ASP A 21 3.332 7.030 -9.365 1.00 0.00 H new ATOM 0 HA ASP A 21 0.709 6.057 -10.024 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.015 5.794 -11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.312 4.513 -10.072 1.00 0.00 H new ATOM 332 N GLU A 22 2.086 5.196 -7.259 1.00 0.00 N ATOM 333 CA GLU A 22 1.977 4.430 -6.031 1.00 0.00 C ATOM 334 C GLU A 22 0.929 5.031 -5.110 1.00 0.00 C ATOM 335 O GLU A 22 0.451 6.145 -5.326 1.00 0.00 O ATOM 336 CB GLU A 22 3.318 4.411 -5.299 1.00 0.00 C ATOM 337 CG GLU A 22 4.389 3.564 -5.955 1.00 0.00 C ATOM 338 CD GLU A 22 5.779 3.944 -5.483 1.00 0.00 C ATOM 339 OE1 GLU A 22 6.193 3.488 -4.395 1.00 0.00 O ATOM 340 OE2 GLU A 22 6.467 4.703 -6.194 1.00 0.00 O ATOM 0 H GLU A 22 2.736 5.980 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 22 1.684 3.415 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.685 5.434 -5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.157 4.046 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.206 2.512 -5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.329 3.678 -7.037 1.00 0.00 H new ATOM 347 N LEU A 23 0.582 4.277 -4.082 1.00 0.00 N ATOM 348 CA LEU A 23 -0.395 4.707 -3.106 1.00 0.00 C ATOM 349 C LEU A 23 0.315 5.154 -1.833 1.00 0.00 C ATOM 350 O LEU A 23 1.271 4.515 -1.390 1.00 0.00 O ATOM 351 CB LEU A 23 -1.381 3.564 -2.811 1.00 0.00 C ATOM 352 CG LEU A 23 -2.733 3.994 -2.226 1.00 0.00 C ATOM 353 CD1 LEU A 23 -2.626 4.267 -0.737 1.00 0.00 C ATOM 354 CD2 LEU A 23 -3.242 5.223 -2.960 1.00 0.00 C ATOM 0 H LEU A 23 0.971 3.351 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.960 5.551 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.562 3.016 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.908 2.870 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.443 3.178 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.600 4.570 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.298 3.363 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.904 5.065 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.202 5.525 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.525 6.037 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.364 4.990 -4.018 1.00 0.00 H new ATOM 366 N GLU A 24 -0.155 6.249 -1.253 1.00 0.00 N ATOM 367 CA GLU A 24 0.437 6.780 -0.034 1.00 0.00 C ATOM 368 C GLU A 24 0.045 5.957 1.171 1.00 0.00 C ATOM 369 O GLU A 24 -1.134 5.835 1.503 1.00 0.00 O ATOM 370 CB GLU A 24 0.015 8.224 0.199 1.00 0.00 C ATOM 371 CG GLU A 24 0.948 9.226 -0.431 1.00 0.00 C ATOM 372 CD GLU A 24 0.549 10.655 -0.122 1.00 0.00 C ATOM 373 OE1 GLU A 24 -0.485 11.114 -0.647 1.00 0.00 O ATOM 374 OE2 GLU A 24 1.264 11.328 0.652 1.00 0.00 O ATOM 0 H GLU A 24 -0.945 6.787 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 24 1.518 6.735 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.989 8.371 -0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.038 8.411 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.963 9.049 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.960 9.080 -1.511 1.00 0.00 H new ATOM 381 N LEU A 25 1.042 5.423 1.843 1.00 0.00 N ATOM 382 CA LEU A 25 0.800 4.577 2.994 1.00 0.00 C ATOM 383 C LEU A 25 1.032 5.370 4.265 1.00 0.00 C ATOM 384 O LEU A 25 1.956 6.177 4.343 1.00 0.00 O ATOM 385 CB LEU A 25 1.700 3.344 2.966 1.00 0.00 C ATOM 386 CG LEU A 25 1.579 2.480 1.710 1.00 0.00 C ATOM 387 CD1 LEU A 25 2.680 1.433 1.681 1.00 0.00 C ATOM 388 CD2 LEU A 25 0.209 1.820 1.649 1.00 0.00 C ATOM 0 H LEU A 25 2.027 5.559 1.614 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.235 4.236 2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.736 3.667 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.472 2.727 3.835 1.00 0.00 H new ATOM 0 HG LEU A 25 1.690 3.120 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.581 0.826 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.652 1.927 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.598 0.795 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.139 1.209 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.069 1.190 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.564 2.588 1.627 1.00 0.00 H new ATOM 400 N ARG A 26 0.187 5.155 5.247 1.00 0.00 N ATOM 401 CA ARG A 26 0.298 5.852 6.509 1.00 0.00 C ATOM 402 C ARG A 26 0.075 4.879 7.640 1.00 0.00 C ATOM 403 O ARG A 26 -0.774 4.001 7.548 1.00 0.00 O ATOM 404 CB ARG A 26 -0.719 6.989 6.552 1.00 0.00 C ATOM 405 CG ARG A 26 -0.861 7.673 7.894 1.00 0.00 C ATOM 406 CD ARG A 26 -1.968 8.705 7.826 1.00 0.00 C ATOM 407 NE ARG A 26 -2.167 9.409 9.089 1.00 0.00 N ATOM 408 CZ ARG A 26 -1.997 10.722 9.232 1.00 0.00 C ATOM 409 NH1 ARG A 26 -1.553 11.450 8.215 1.00 0.00 N ATOM 410 NH2 ARG A 26 -2.256 11.304 10.395 1.00 0.00 N ATOM 0 H ARG A 26 -0.591 4.497 5.195 1.00 0.00 H new ATOM 0 HA ARG A 26 1.295 6.279 6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.438 7.735 5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.692 6.597 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.084 6.937 8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.079 8.151 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.735 9.429 7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.898 8.214 7.539 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.451 8.867 9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.342 11.004 7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.423 12.456 8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.586 10.746 11.182 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.125 12.310 10.502 1.00 0.00 H new ATOM 424 N ASP A 27 0.849 5.046 8.695 1.00 0.00 N ATOM 425 CA ASP A 27 0.784 4.157 9.855 1.00 0.00 C ATOM 426 C ASP A 27 -0.642 4.044 10.380 1.00 0.00 C ATOM 427 O ASP A 27 -1.167 4.970 11.000 1.00 0.00 O ATOM 428 CB ASP A 27 1.723 4.650 10.961 1.00 0.00 C ATOM 429 CG ASP A 27 1.645 3.818 12.232 1.00 0.00 C ATOM 430 OD1 ASP A 27 2.320 2.773 12.303 1.00 0.00 O ATOM 431 OD2 ASP A 27 0.928 4.217 13.179 1.00 0.00 O ATOM 0 H ASP A 27 1.538 5.794 8.779 1.00 0.00 H new ATOM 0 HA ASP A 27 1.107 3.165 9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.748 4.638 10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.481 5.686 11.198 1.00 0.00 H new ATOM 436 N GLY A 28 -1.270 2.909 10.094 1.00 0.00 N ATOM 437 CA GLY A 28 -2.611 2.646 10.572 1.00 0.00 C ATOM 438 C GLY A 28 -3.692 2.864 9.526 1.00 0.00 C ATOM 439 O GLY A 28 -4.860 2.554 9.772 1.00 0.00 O ATOM 0 H GLY A 28 -0.867 2.159 9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.664 1.617 10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.813 3.289 11.429 1.00 0.00 H new ATOM 443 N ASP A 29 -3.315 3.380 8.360 1.00 0.00 N ATOM 444 CA ASP A 29 -4.271 3.586 7.271 1.00 0.00 C ATOM 445 C ASP A 29 -4.595 2.255 6.610 1.00 0.00 C ATOM 446 O ASP A 29 -3.755 1.368 6.553 1.00 0.00 O ATOM 447 CB ASP A 29 -3.721 4.561 6.221 1.00 0.00 C ATOM 448 CG ASP A 29 -4.717 4.834 5.102 1.00 0.00 C ATOM 449 OD1 ASP A 29 -5.932 4.897 5.390 1.00 0.00 O ATOM 450 OD2 ASP A 29 -4.289 5.010 3.938 1.00 0.00 O ATOM 0 H ASP A 29 -2.359 3.663 8.143 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.177 4.018 7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.457 5.501 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.804 4.153 5.796 1.00 0.00 H new ATOM 455 N ILE A 30 -5.814 2.108 6.128 1.00 0.00 N ATOM 456 CA ILE A 30 -6.222 0.881 5.471 1.00 0.00 C ATOM 457 C ILE A 30 -6.181 1.050 3.961 1.00 0.00 C ATOM 458 O ILE A 30 -6.528 2.101 3.436 1.00 0.00 O ATOM 459 CB ILE A 30 -7.641 0.434 5.915 1.00 0.00 C ATOM 460 CG1 ILE A 30 -7.607 -0.140 7.332 1.00 0.00 C ATOM 461 CG2 ILE A 30 -8.237 -0.584 4.951 1.00 0.00 C ATOM 462 CD1 ILE A 30 -7.527 0.905 8.425 1.00 0.00 C ATOM 0 H ILE A 30 -6.539 2.823 6.179 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.518 0.103 5.767 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.279 1.318 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.500 -0.745 7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.750 -0.808 7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.230 -0.873 5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.311 -0.143 3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.597 -1.465 4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.507 0.413 9.398 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.620 1.495 8.298 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.397 1.560 8.367 1.00 0.00 H new ATOM 474 N VAL A 31 -5.727 0.021 3.274 1.00 0.00 N ATOM 475 CA VAL A 31 -5.724 0.014 1.823 1.00 0.00 C ATOM 476 C VAL A 31 -6.373 -1.261 1.308 1.00 0.00 C ATOM 477 O VAL A 31 -5.965 -2.366 1.670 1.00 0.00 O ATOM 478 CB VAL A 31 -4.299 0.146 1.244 1.00 0.00 C ATOM 479 CG1 VAL A 31 -4.310 -0.041 -0.266 1.00 0.00 C ATOM 480 CG2 VAL A 31 -3.714 1.503 1.585 1.00 0.00 C ATOM 0 H VAL A 31 -5.353 -0.827 3.700 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.296 0.880 1.492 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.681 -0.633 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.295 0.056 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.697 -1.031 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.946 0.718 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.709 1.581 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.343 2.287 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.669 1.618 2.668 1.00 0.00 H new ATOM 490 N ASP A 32 -7.394 -1.099 0.486 1.00 0.00 N ATOM 491 CA ASP A 32 -8.072 -2.232 -0.123 1.00 0.00 C ATOM 492 C ASP A 32 -7.339 -2.625 -1.391 1.00 0.00 C ATOM 493 O ASP A 32 -7.281 -1.843 -2.340 1.00 0.00 O ATOM 494 CB ASP A 32 -9.517 -1.872 -0.473 1.00 0.00 C ATOM 495 CG ASP A 32 -10.277 -1.239 0.683 1.00 0.00 C ATOM 496 OD1 ASP A 32 -10.744 -1.980 1.574 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.416 0.004 0.703 1.00 0.00 O ATOM 0 H ASP A 32 -7.774 -0.190 0.223 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.078 -3.060 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.518 -1.185 -1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.041 -2.773 -0.793 1.00 0.00 H new ATOM 502 N VAL A 33 -6.784 -3.823 -1.410 1.00 0.00 N ATOM 503 CA VAL A 33 -5.981 -4.273 -2.535 1.00 0.00 C ATOM 504 C VAL A 33 -6.828 -5.046 -3.549 1.00 0.00 C ATOM 505 O VAL A 33 -7.436 -6.062 -3.230 1.00 0.00 O ATOM 506 CB VAL A 33 -4.793 -5.137 -2.053 1.00 0.00 C ATOM 507 CG1 VAL A 33 -5.246 -6.216 -1.083 1.00 0.00 C ATOM 508 CG2 VAL A 33 -4.057 -5.746 -3.230 1.00 0.00 C ATOM 0 H VAL A 33 -6.874 -4.505 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.585 -3.387 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.104 -4.482 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.385 -6.804 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.710 -5.752 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.969 -6.867 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.225 -6.349 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.740 -6.376 -3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.675 -4.951 -3.871 1.00 0.00 H new ATOM 518 N MET A 34 -6.826 -4.576 -4.787 1.00 0.00 N ATOM 519 CA MET A 34 -7.654 -5.171 -5.824 1.00 0.00 C ATOM 520 C MET A 34 -6.815 -6.057 -6.739 1.00 0.00 C ATOM 521 O MET A 34 -7.315 -7.022 -7.318 1.00 0.00 O ATOM 522 CB MET A 34 -8.385 -4.081 -6.623 1.00 0.00 C ATOM 523 CG MET A 34 -7.558 -3.413 -7.717 1.00 0.00 C ATOM 524 SD MET A 34 -7.628 -4.305 -9.284 1.00 0.00 S ATOM 525 CE MET A 34 -6.518 -3.322 -10.285 1.00 0.00 C ATOM 0 H MET A 34 -6.261 -3.786 -5.097 1.00 0.00 H new ATOM 0 HA MET A 34 -8.407 -5.800 -5.348 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.273 -4.520 -7.078 1.00 0.00 H new ATOM 0 HB3 MET A 34 -8.729 -3.313 -5.930 1.00 0.00 H new ATOM 0 HG2 MET A 34 -7.916 -2.394 -7.867 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.521 -3.341 -7.390 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.995 -3.090 -11.237 1.00 0.00 H new ATOM 0 HE2 MET A 34 -6.282 -2.395 -9.763 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.600 -3.881 -10.466 1.00 0.00 H new ATOM 535 N GLU A 35 -5.533 -5.730 -6.867 1.00 0.00 N ATOM 536 CA GLU A 35 -4.630 -6.517 -7.691 1.00 0.00 C ATOM 537 C GLU A 35 -3.368 -6.854 -6.921 1.00 0.00 C ATOM 538 O GLU A 35 -2.885 -6.060 -6.116 1.00 0.00 O ATOM 539 CB GLU A 35 -4.277 -5.783 -8.980 1.00 0.00 C ATOM 540 CG GLU A 35 -3.438 -6.625 -9.922 1.00 0.00 C ATOM 541 CD GLU A 35 -4.143 -7.900 -10.346 1.00 0.00 C ATOM 542 OE1 GLU A 35 -4.140 -8.871 -9.563 1.00 0.00 O ATOM 543 OE2 GLU A 35 -4.701 -7.934 -11.462 1.00 0.00 O ATOM 0 H GLU A 35 -5.099 -4.927 -6.411 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.142 -7.442 -7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.195 -5.484 -9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.735 -4.869 -8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.192 -6.038 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.496 -6.879 -9.436 1.00 0.00 H new ATOM 550 N LYS A 36 -2.841 -8.030 -7.177 1.00 0.00 N ATOM 551 CA LYS A 36 -1.653 -8.498 -6.495 1.00 0.00 C ATOM 552 C LYS A 36 -0.581 -8.864 -7.502 1.00 0.00 C ATOM 553 O LYS A 36 -0.746 -9.795 -8.294 1.00 0.00 O ATOM 554 CB LYS A 36 -1.979 -9.701 -5.608 1.00 0.00 C ATOM 555 CG LYS A 36 -2.921 -9.377 -4.458 1.00 0.00 C ATOM 556 CD LYS A 36 -3.242 -10.609 -3.622 1.00 0.00 C ATOM 557 CE LYS A 36 -4.314 -11.485 -4.261 1.00 0.00 C ATOM 558 NZ LYS A 36 -3.895 -12.041 -5.575 1.00 0.00 N ATOM 0 H LYS A 36 -3.220 -8.686 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.280 -7.694 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.425 -10.483 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.051 -10.104 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.470 -8.615 -3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.845 -8.956 -4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.334 -11.196 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.575 -10.296 -2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.557 -12.305 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.224 -10.900 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.422 -12.917 -5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.094 -11.348 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.876 -12.247 -5.556 1.00 0.00 H new ATOM 572 N CYS A 37 0.509 -8.120 -7.482 1.00 0.00 N ATOM 573 CA CYS A 37 1.629 -8.399 -8.356 1.00 0.00 C ATOM 574 C CYS A 37 2.435 -9.559 -7.793 1.00 0.00 C ATOM 575 O CYS A 37 2.546 -9.719 -6.574 1.00 0.00 O ATOM 576 CB CYS A 37 2.520 -7.165 -8.480 1.00 0.00 C ATOM 577 SG CYS A 37 1.619 -5.627 -8.793 1.00 0.00 S ATOM 0 H CYS A 37 0.641 -7.316 -6.868 1.00 0.00 H new ATOM 0 HA CYS A 37 1.253 -8.662 -9.344 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.098 -7.054 -7.562 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.234 -7.326 -9.288 1.00 0.00 H new ATOM 0 HG CYS A 37 1.416 -5.006 -7.669 1.00 0.00 H new ATOM 583 N ASP A 38 2.992 -10.365 -8.684 1.00 0.00 N ATOM 584 CA ASP A 38 3.805 -11.507 -8.292 1.00 0.00 C ATOM 585 C ASP A 38 5.120 -11.045 -7.682 1.00 0.00 C ATOM 586 O ASP A 38 5.835 -11.822 -7.049 1.00 0.00 O ATOM 587 CB ASP A 38 4.080 -12.405 -9.504 1.00 0.00 C ATOM 588 CG ASP A 38 2.824 -13.043 -10.062 1.00 0.00 C ATOM 589 OD1 ASP A 38 2.141 -12.403 -10.891 1.00 0.00 O ATOM 590 OD2 ASP A 38 2.519 -14.194 -9.684 1.00 0.00 O ATOM 0 H ASP A 38 2.895 -10.248 -9.693 1.00 0.00 H new ATOM 0 HA ASP A 38 3.254 -12.077 -7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.560 -11.815 -10.285 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.783 -13.188 -9.218 1.00 0.00 H new ATOM 595 N ASP A 39 5.431 -9.769 -7.879 1.00 0.00 N ATOM 596 CA ASP A 39 6.668 -9.192 -7.370 1.00 0.00 C ATOM 597 C ASP A 39 6.544 -8.822 -5.889 1.00 0.00 C ATOM 598 O ASP A 39 7.537 -8.518 -5.234 1.00 0.00 O ATOM 599 CB ASP A 39 7.041 -7.961 -8.198 1.00 0.00 C ATOM 600 CG ASP A 39 8.402 -7.396 -7.844 1.00 0.00 C ATOM 601 OD1 ASP A 39 9.423 -8.042 -8.168 1.00 0.00 O ATOM 602 OD2 ASP A 39 8.461 -6.291 -7.271 1.00 0.00 O ATOM 0 H ASP A 39 4.840 -9.113 -8.390 1.00 0.00 H new ATOM 0 HA ASP A 39 7.457 -9.939 -7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.028 -8.224 -9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.285 -7.190 -8.052 1.00 0.00 H new ATOM 607 N GLY A 40 5.328 -8.871 -5.348 1.00 0.00 N ATOM 608 CA GLY A 40 5.165 -8.684 -3.917 1.00 0.00 C ATOM 609 C GLY A 40 4.464 -7.391 -3.566 1.00 0.00 C ATOM 610 O GLY A 40 3.848 -7.279 -2.504 1.00 0.00 O ATOM 0 H GLY A 40 4.465 -9.034 -5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.598 -9.521 -3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.145 -8.701 -3.440 1.00 0.00 H new ATOM 614 N TRP A 41 4.571 -6.402 -4.438 1.00 0.00 N ATOM 615 CA TRP A 41 3.859 -5.148 -4.239 1.00 0.00 C ATOM 616 C TRP A 41 2.450 -5.300 -4.799 1.00 0.00 C ATOM 617 O TRP A 41 2.244 -6.036 -5.761 1.00 0.00 O ATOM 618 CB TRP A 41 4.583 -3.982 -4.916 1.00 0.00 C ATOM 619 CG TRP A 41 6.079 -4.009 -4.762 1.00 0.00 C ATOM 620 CD1 TRP A 41 6.990 -3.819 -5.759 1.00 0.00 C ATOM 621 CD2 TRP A 41 6.844 -4.252 -3.562 1.00 0.00 C ATOM 622 NE1 TRP A 41 8.264 -3.916 -5.262 1.00 0.00 N ATOM 623 CE2 TRP A 41 8.204 -4.185 -3.924 1.00 0.00 C ATOM 624 CE3 TRP A 41 6.521 -4.517 -2.221 1.00 0.00 C ATOM 625 CZ2 TRP A 41 9.232 -4.369 -3.003 1.00 0.00 C ATOM 626 CZ3 TRP A 41 7.546 -4.702 -1.314 1.00 0.00 C ATOM 627 CH2 TRP A 41 8.885 -4.628 -1.708 1.00 0.00 C ATOM 0 H TRP A 41 5.139 -6.441 -5.284 1.00 0.00 H new ATOM 0 HA TRP A 41 3.817 -4.924 -3.173 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.339 -3.986 -5.978 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.204 -3.046 -4.505 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.743 -3.621 -6.792 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.120 -3.805 -5.805 1.00 0.00 H new ATOM 0 HE3 TRP A 41 5.490 -4.575 -1.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 10.268 -4.309 -3.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.308 -4.908 -0.281 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.662 -4.779 -0.973 1.00 0.00 H new ATOM 638 N PHE A 42 1.484 -4.629 -4.203 1.00 0.00 N ATOM 639 CA PHE A 42 0.096 -4.852 -4.550 1.00 0.00 C ATOM 640 C PHE A 42 -0.555 -3.568 -5.049 1.00 0.00 C ATOM 641 O PHE A 42 -0.004 -2.489 -4.897 1.00 0.00 O ATOM 642 CB PHE A 42 -0.656 -5.389 -3.337 1.00 0.00 C ATOM 643 CG PHE A 42 -0.119 -6.694 -2.804 1.00 0.00 C ATOM 644 CD1 PHE A 42 0.401 -7.658 -3.657 1.00 0.00 C ATOM 645 CD2 PHE A 42 -0.149 -6.958 -1.445 1.00 0.00 C ATOM 646 CE1 PHE A 42 0.884 -8.855 -3.161 1.00 0.00 C ATOM 647 CE2 PHE A 42 0.333 -8.153 -0.943 1.00 0.00 C ATOM 648 CZ PHE A 42 0.850 -9.102 -1.803 1.00 0.00 C ATOM 0 H PHE A 42 1.635 -3.927 -3.478 1.00 0.00 H new ATOM 0 HA PHE A 42 0.053 -5.585 -5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.621 -4.643 -2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.705 -5.522 -3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.429 -7.471 -4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.554 -6.221 -0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.287 -9.596 -3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.305 -8.344 0.120 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.227 -10.036 -1.414 1.00 0.00 H new ATOM 658 N VAL A 43 -1.717 -3.699 -5.663 1.00 0.00 N ATOM 659 CA VAL A 43 -2.472 -2.553 -6.147 1.00 0.00 C ATOM 660 C VAL A 43 -3.729 -2.361 -5.316 1.00 0.00 C ATOM 661 O VAL A 43 -4.535 -3.277 -5.182 1.00 0.00 O ATOM 662 CB VAL A 43 -2.845 -2.717 -7.636 1.00 0.00 C ATOM 663 CG1 VAL A 43 -4.124 -1.975 -7.980 1.00 0.00 C ATOM 664 CG2 VAL A 43 -1.724 -2.189 -8.487 1.00 0.00 C ATOM 0 H VAL A 43 -2.164 -4.598 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.839 -1.671 -6.049 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.007 -3.777 -7.829 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.353 -2.115 -9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.944 -2.364 -7.377 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.995 -0.912 -7.774 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.982 -2.302 -9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.564 -1.134 -8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.812 -2.747 -8.275 1.00 0.00 H new ATOM 674 N GLY A 44 -3.904 -1.163 -4.784 1.00 0.00 N ATOM 675 CA GLY A 44 -4.972 -0.937 -3.832 1.00 0.00 C ATOM 676 C GLY A 44 -5.428 0.502 -3.763 1.00 0.00 C ATOM 677 O GLY A 44 -5.018 1.341 -4.567 1.00 0.00 O ATOM 0 H GLY A 44 -3.330 -0.346 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.822 -1.566 -4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.638 -1.251 -2.843 1.00 0.00 H new ATOM 681 N THR A 45 -6.287 0.776 -2.796 1.00 0.00 N ATOM 682 CA THR A 45 -6.863 2.091 -2.618 1.00 0.00 C ATOM 683 C THR A 45 -6.779 2.516 -1.161 1.00 0.00 C ATOM 684 O THR A 45 -7.039 1.723 -0.261 1.00 0.00 O ATOM 685 CB THR A 45 -8.331 2.092 -3.068 1.00 0.00 C ATOM 686 OG1 THR A 45 -8.419 1.709 -4.447 1.00 0.00 O ATOM 687 CG2 THR A 45 -8.983 3.453 -2.869 1.00 0.00 C ATOM 0 H THR A 45 -6.603 0.088 -2.112 1.00 0.00 H new ATOM 0 HA THR A 45 -6.299 2.797 -3.227 1.00 0.00 H new ATOM 0 HB THR A 45 -8.867 1.372 -2.450 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.358 1.710 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.021 3.411 -3.200 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.949 3.722 -1.813 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.447 4.202 -3.451 1.00 0.00 H new ATOM 695 N SER A 46 -6.428 3.769 -0.944 1.00 0.00 N ATOM 696 CA SER A 46 -6.296 4.307 0.400 1.00 0.00 C ATOM 697 C SER A 46 -7.676 4.518 1.009 1.00 0.00 C ATOM 698 O SER A 46 -8.530 5.135 0.394 1.00 0.00 O ATOM 699 CB SER A 46 -5.545 5.640 0.356 1.00 0.00 C ATOM 700 OG SER A 46 -5.383 6.185 1.656 1.00 0.00 O ATOM 0 H SER A 46 -6.227 4.439 -1.686 1.00 0.00 H new ATOM 0 HA SER A 46 -5.736 3.600 1.012 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.567 5.494 -0.103 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.090 6.346 -0.271 1.00 0.00 H new ATOM 0 HG SER A 46 -4.966 5.518 2.241 1.00 0.00 H new ATOM 706 N ARG A 47 -7.903 3.983 2.194 1.00 0.00 N ATOM 707 CA ARG A 47 -9.159 4.202 2.898 1.00 0.00 C ATOM 708 C ARG A 47 -9.227 5.642 3.406 1.00 0.00 C ATOM 709 O ARG A 47 -10.305 6.210 3.573 1.00 0.00 O ATOM 710 CB ARG A 47 -9.288 3.223 4.063 1.00 0.00 C ATOM 711 CG ARG A 47 -10.671 3.190 4.683 1.00 0.00 C ATOM 712 CD ARG A 47 -10.672 2.410 5.982 1.00 0.00 C ATOM 713 NE ARG A 47 -12.025 2.186 6.481 1.00 0.00 N ATOM 714 CZ ARG A 47 -12.369 2.264 7.763 1.00 0.00 C ATOM 715 NH1 ARG A 47 -11.467 2.600 8.676 1.00 0.00 N ATOM 716 NH2 ARG A 47 -13.615 2.014 8.134 1.00 0.00 N ATOM 0 H ARG A 47 -7.236 3.393 2.692 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.986 4.032 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.032 2.222 3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.562 3.489 4.831 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.014 4.208 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.375 2.738 3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.178 1.451 5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.094 2.951 6.731 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.752 1.955 5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.507 2.799 8.395 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.734 2.659 9.659 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.314 1.761 7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.876 2.075 9.118 1.00 0.00 H new ATOM 730 N ARG A 48 -8.052 6.211 3.644 1.00 0.00 N ATOM 731 CA ARG A 48 -7.912 7.577 4.130 1.00 0.00 C ATOM 732 C ARG A 48 -8.331 8.605 3.079 1.00 0.00 C ATOM 733 O ARG A 48 -9.122 9.502 3.361 1.00 0.00 O ATOM 734 CB ARG A 48 -6.448 7.792 4.532 1.00 0.00 C ATOM 735 CG ARG A 48 -6.002 9.239 4.633 1.00 0.00 C ATOM 736 CD ARG A 48 -4.510 9.306 4.906 1.00 0.00 C ATOM 737 NE ARG A 48 -3.945 10.627 4.643 1.00 0.00 N ATOM 738 CZ ARG A 48 -2.795 10.821 3.993 1.00 0.00 C ATOM 739 NH1 ARG A 48 -2.101 9.785 3.533 1.00 0.00 N ATOM 740 NH2 ARG A 48 -2.333 12.051 3.802 1.00 0.00 N ATOM 0 H ARG A 48 -7.162 5.733 3.504 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.572 7.718 4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.280 7.311 5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.812 7.284 3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.234 9.765 3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.549 9.742 5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.323 9.036 5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.999 8.568 4.288 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.456 11.445 4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.446 8.836 3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.223 9.939 3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.857 12.853 4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.454 12.194 3.305 1.00 0.00 H new ATOM 754 N THR A 49 -7.815 8.461 1.868 1.00 0.00 N ATOM 755 CA THR A 49 -8.010 9.476 0.838 1.00 0.00 C ATOM 756 C THR A 49 -8.705 8.917 -0.413 1.00 0.00 C ATOM 757 O THR A 49 -9.084 9.657 -1.324 1.00 0.00 O ATOM 758 CB THR A 49 -6.652 10.140 0.486 1.00 0.00 C ATOM 759 OG1 THR A 49 -6.624 10.611 -0.863 1.00 0.00 O ATOM 760 CG2 THR A 49 -5.493 9.186 0.717 1.00 0.00 C ATOM 0 H THR A 49 -7.261 7.657 1.573 1.00 0.00 H new ATOM 0 HA THR A 49 -8.679 10.236 1.241 1.00 0.00 H new ATOM 0 HB THR A 49 -6.543 10.996 1.152 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.536 10.630 -1.222 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.557 9.682 0.461 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.471 8.888 1.765 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.619 8.303 0.091 1.00 0.00 H new ATOM 768 N LYS A 50 -8.895 7.602 -0.425 1.00 0.00 N ATOM 769 CA LYS A 50 -9.584 6.898 -1.509 1.00 0.00 C ATOM 770 C LYS A 50 -8.872 7.079 -2.844 1.00 0.00 C ATOM 771 O LYS A 50 -9.508 7.220 -3.885 1.00 0.00 O ATOM 772 CB LYS A 50 -11.058 7.317 -1.626 1.00 0.00 C ATOM 773 CG LYS A 50 -11.888 7.108 -0.358 1.00 0.00 C ATOM 774 CD LYS A 50 -11.587 5.783 0.344 1.00 0.00 C ATOM 775 CE LYS A 50 -11.701 4.578 -0.584 1.00 0.00 C ATOM 776 NZ LYS A 50 -13.097 4.332 -1.043 1.00 0.00 N ATOM 0 H LYS A 50 -8.574 6.986 0.322 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.558 5.839 -1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.101 8.371 -1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.517 6.756 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.698 7.930 0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.947 7.145 -0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.581 5.820 0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.274 5.657 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.060 4.732 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.332 3.692 -0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.115 3.502 -1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.707 4.157 -0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.444 5.165 -1.560 1.00 0.00 H new ATOM 790 N GLN A 51 -7.547 7.051 -2.806 1.00 0.00 N ATOM 791 CA GLN A 51 -6.752 7.118 -4.022 1.00 0.00 C ATOM 792 C GLN A 51 -6.328 5.721 -4.437 1.00 0.00 C ATOM 793 O GLN A 51 -6.224 4.827 -3.597 1.00 0.00 O ATOM 794 CB GLN A 51 -5.535 8.028 -3.844 1.00 0.00 C ATOM 795 CG GLN A 51 -4.938 8.019 -2.449 1.00 0.00 C ATOM 796 CD GLN A 51 -3.855 9.069 -2.279 1.00 0.00 C ATOM 797 OE1 GLN A 51 -3.897 10.127 -2.907 1.00 0.00 O ATOM 798 NE2 GLN A 51 -2.885 8.790 -1.422 1.00 0.00 N ATOM 0 H GLN A 51 -7.001 6.982 -1.947 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.366 7.550 -4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.766 7.728 -4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.821 9.049 -4.096 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.727 8.192 -1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.521 7.034 -2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.887 7.901 -0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.136 9.464 -1.263 1.00 0.00 H new ATOM 807 N PHE A 52 -6.082 5.543 -5.721 1.00 0.00 N ATOM 808 CA PHE A 52 -5.821 4.231 -6.287 1.00 0.00 C ATOM 809 C PHE A 52 -4.449 4.180 -6.956 1.00 0.00 C ATOM 810 O PHE A 52 -4.046 5.119 -7.645 1.00 0.00 O ATOM 811 CB PHE A 52 -6.934 3.899 -7.289 1.00 0.00 C ATOM 812 CG PHE A 52 -6.703 2.666 -8.119 1.00 0.00 C ATOM 813 CD1 PHE A 52 -6.670 1.409 -7.536 1.00 0.00 C ATOM 814 CD2 PHE A 52 -6.534 2.768 -9.490 1.00 0.00 C ATOM 815 CE1 PHE A 52 -6.471 0.280 -8.305 1.00 0.00 C ATOM 816 CE2 PHE A 52 -6.337 1.641 -10.264 1.00 0.00 C ATOM 817 CZ PHE A 52 -6.307 0.396 -9.670 1.00 0.00 C ATOM 0 H PHE A 52 -6.057 6.302 -6.402 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.813 3.488 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.869 3.779 -6.742 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.063 4.749 -7.959 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.801 1.312 -6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.557 3.740 -9.959 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.444 -0.694 -7.838 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.207 1.734 -11.332 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.155 -0.487 -10.273 1.00 0.00 H new ATOM 827 N GLY A 53 -3.735 3.087 -6.726 1.00 0.00 N ATOM 828 CA GLY A 53 -2.438 2.886 -7.341 1.00 0.00 C ATOM 829 C GLY A 53 -1.783 1.623 -6.846 1.00 0.00 C ATOM 830 O GLY A 53 -2.462 0.696 -6.394 1.00 0.00 O ATOM 0 H GLY A 53 -4.036 2.327 -6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.551 2.838 -8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.795 3.739 -7.125 1.00 0.00 H new ATOM 834 N THR A 54 -0.471 1.594 -6.901 1.00 0.00 N ATOM 835 CA THR A 54 0.282 0.455 -6.430 1.00 0.00 C ATOM 836 C THR A 54 0.947 0.779 -5.103 1.00 0.00 C ATOM 837 O THR A 54 1.548 1.833 -4.931 1.00 0.00 O ATOM 838 CB THR A 54 1.350 0.026 -7.454 1.00 0.00 C ATOM 839 OG1 THR A 54 2.250 -0.930 -6.879 1.00 0.00 O ATOM 840 CG2 THR A 54 2.124 1.233 -7.955 1.00 0.00 C ATOM 0 H THR A 54 0.101 2.354 -7.271 1.00 0.00 H new ATOM 0 HA THR A 54 -0.415 -0.372 -6.296 1.00 0.00 H new ATOM 0 HB THR A 54 0.841 -0.440 -8.298 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.919 -1.191 -7.545 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.874 0.910 -8.677 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.438 1.933 -8.432 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.617 1.723 -7.115 1.00 0.00 H new ATOM 848 N PHE A 55 0.830 -0.125 -4.168 1.00 0.00 N ATOM 849 CA PHE A 55 1.400 0.070 -2.857 1.00 0.00 C ATOM 850 C PHE A 55 2.172 -1.168 -2.445 1.00 0.00 C ATOM 851 O PHE A 55 1.733 -2.297 -2.665 1.00 0.00 O ATOM 852 CB PHE A 55 0.317 0.396 -1.819 1.00 0.00 C ATOM 853 CG PHE A 55 -0.564 -0.773 -1.458 1.00 0.00 C ATOM 854 CD1 PHE A 55 -1.499 -1.258 -2.353 1.00 0.00 C ATOM 855 CD2 PHE A 55 -0.445 -1.390 -0.221 1.00 0.00 C ATOM 856 CE1 PHE A 55 -2.301 -2.337 -2.027 1.00 0.00 C ATOM 857 CE2 PHE A 55 -1.244 -2.467 0.111 1.00 0.00 C ATOM 858 CZ PHE A 55 -2.172 -2.942 -0.792 1.00 0.00 C ATOM 0 H PHE A 55 0.341 -1.012 -4.289 1.00 0.00 H new ATOM 0 HA PHE A 55 2.080 0.921 -2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.797 0.768 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.308 1.203 -2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.605 -0.788 -3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.281 -1.024 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.027 -2.706 -2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.142 -2.937 1.078 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.796 -3.785 -0.534 1.00 0.00 H new ATOM 868 N PRO A 56 3.352 -0.970 -1.875 1.00 0.00 N ATOM 869 CA PRO A 56 4.158 -2.065 -1.365 1.00 0.00 C ATOM 870 C PRO A 56 3.418 -2.847 -0.288 1.00 0.00 C ATOM 871 O PRO A 56 3.217 -2.350 0.824 1.00 0.00 O ATOM 872 CB PRO A 56 5.393 -1.373 -0.781 1.00 0.00 C ATOM 873 CG PRO A 56 5.427 -0.028 -1.423 1.00 0.00 C ATOM 874 CD PRO A 56 3.996 0.337 -1.697 1.00 0.00 C ATOM 0 HA PRO A 56 4.404 -2.792 -2.139 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.322 -1.290 0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.300 -1.937 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.898 0.705 -0.768 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.007 -0.051 -2.345 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.556 0.895 -0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.901 0.959 -2.587 1.00 0.00 H new ATOM 882 N GLY A 57 3.032 -4.083 -0.620 1.00 0.00 N ATOM 883 CA GLY A 57 2.320 -4.942 0.322 1.00 0.00 C ATOM 884 C GLY A 57 3.186 -5.338 1.503 1.00 0.00 C ATOM 885 O GLY A 57 2.787 -6.130 2.353 1.00 0.00 O ATOM 0 H GLY A 57 3.202 -4.507 -1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.431 -4.425 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.979 -5.840 -0.194 1.00 0.00 H new ATOM 889 N ASN A 58 4.380 -4.772 1.539 1.00 0.00 N ATOM 890 CA ASN A 58 5.352 -5.027 2.581 1.00 0.00 C ATOM 891 C ASN A 58 5.033 -4.202 3.832 1.00 0.00 C ATOM 892 O ASN A 58 5.389 -4.581 4.945 1.00 0.00 O ATOM 893 CB ASN A 58 6.739 -4.664 2.047 1.00 0.00 C ATOM 894 CG ASN A 58 7.860 -4.985 3.017 1.00 0.00 C ATOM 895 OD1 ASN A 58 7.763 -5.913 3.817 1.00 0.00 O ATOM 896 ND2 ASN A 58 8.937 -4.217 2.943 1.00 0.00 N ATOM 0 H ASN A 58 4.704 -4.112 0.832 1.00 0.00 H new ATOM 0 HA ASN A 58 5.322 -6.080 2.860 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.912 -5.199 1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.764 -3.599 1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.727 -4.386 3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.976 -3.457 2.264 1.00 0.00 H new ATOM 903 N TYR A 59 4.336 -3.085 3.643 1.00 0.00 N ATOM 904 CA TYR A 59 4.066 -2.162 4.747 1.00 0.00 C ATOM 905 C TYR A 59 2.615 -2.233 5.186 1.00 0.00 C ATOM 906 O TYR A 59 2.082 -1.267 5.725 1.00 0.00 O ATOM 907 CB TYR A 59 4.384 -0.722 4.342 1.00 0.00 C ATOM 908 CG TYR A 59 5.777 -0.524 3.796 1.00 0.00 C ATOM 909 CD1 TYR A 59 6.896 -0.584 4.618 1.00 0.00 C ATOM 910 CD2 TYR A 59 5.966 -0.284 2.446 1.00 0.00 C ATOM 911 CE1 TYR A 59 8.167 -0.409 4.101 1.00 0.00 C ATOM 912 CE2 TYR A 59 7.229 -0.111 1.922 1.00 0.00 C ATOM 913 CZ TYR A 59 8.329 -0.176 2.751 1.00 0.00 C ATOM 914 OH TYR A 59 9.593 -0.006 2.230 1.00 0.00 O ATOM 0 H TYR A 59 3.950 -2.796 2.744 1.00 0.00 H new ATOM 0 HA TYR A 59 4.707 -2.462 5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.663 -0.400 3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.251 -0.075 5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.772 -0.770 5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.108 -0.231 1.792 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.028 -0.455 4.751 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.357 0.075 0.866 1.00 0.00 H new ATOM 0 HH TYR A 59 9.531 0.148 1.264 1.00 0.00 H new ATOM 924 N VAL A 60 1.980 -3.370 4.973 1.00 0.00 N ATOM 925 CA VAL A 60 0.578 -3.530 5.317 1.00 0.00 C ATOM 926 C VAL A 60 0.336 -4.928 5.858 1.00 0.00 C ATOM 927 O VAL A 60 1.101 -5.853 5.576 1.00 0.00 O ATOM 928 CB VAL A 60 -0.361 -3.259 4.113 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.295 -1.795 3.690 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.009 -4.167 2.949 1.00 0.00 C ATOM 0 H VAL A 60 2.412 -4.198 4.563 1.00 0.00 H new ATOM 0 HA VAL A 60 0.345 -2.790 6.082 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.383 -3.476 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.962 -1.630 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.601 -1.162 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.726 -1.545 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.678 -3.963 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.021 -3.983 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.117 -5.208 3.254 1.00 0.00 H new ATOM 940 N LYS A 61 -0.714 -5.071 6.642 1.00 0.00 N ATOM 941 CA LYS A 61 -1.003 -6.321 7.319 1.00 0.00 C ATOM 942 C LYS A 61 -2.330 -6.903 6.842 1.00 0.00 C ATOM 943 O LYS A 61 -3.321 -6.182 6.708 1.00 0.00 O ATOM 944 CB LYS A 61 -1.032 -6.073 8.824 1.00 0.00 C ATOM 945 CG LYS A 61 -2.150 -5.140 9.266 1.00 0.00 C ATOM 946 CD LYS A 61 -1.694 -4.119 10.299 1.00 0.00 C ATOM 947 CE LYS A 61 -0.871 -4.744 11.407 1.00 0.00 C ATOM 948 NZ LYS A 61 -0.671 -3.796 12.536 1.00 0.00 N ATOM 0 H LYS A 61 -1.388 -4.329 6.828 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.224 -7.047 7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.142 -7.027 9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.075 -5.652 9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.546 -4.617 8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.967 -5.730 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.106 -3.345 9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.567 -3.629 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.369 -5.643 11.769 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.097 -5.053 11.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.104 -4.254 13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.174 -2.949 12.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.595 -3.521 12.927 1.00 0.00 H new ATOM 962 N PRO A 62 -2.355 -8.213 6.559 1.00 0.00 N ATOM 963 CA PRO A 62 -3.567 -8.911 6.119 1.00 0.00 C ATOM 964 C PRO A 62 -4.665 -8.866 7.176 1.00 0.00 C ATOM 965 O PRO A 62 -4.421 -9.167 8.350 1.00 0.00 O ATOM 966 CB PRO A 62 -3.101 -10.353 5.896 1.00 0.00 C ATOM 967 CG PRO A 62 -1.617 -10.276 5.788 1.00 0.00 C ATOM 968 CD PRO A 62 -1.202 -9.120 6.645 1.00 0.00 C ATOM 0 HA PRO A 62 -3.998 -8.453 5.229 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.402 -10.996 6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.540 -10.772 4.991 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.152 -11.201 6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.308 -10.126 4.754 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.007 -9.429 7.672 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.291 -8.650 6.275 1.00 0.00 H new ATOM 976 N LEU A 63 -5.862 -8.479 6.764 1.00 0.00 N ATOM 977 CA LEU A 63 -6.987 -8.384 7.681 1.00 0.00 C ATOM 978 C LEU A 63 -7.942 -9.556 7.484 1.00 0.00 C ATOM 979 O LEU A 63 -7.616 -10.526 6.796 1.00 0.00 O ATOM 980 CB LEU A 63 -7.731 -7.057 7.492 1.00 0.00 C ATOM 981 CG LEU A 63 -6.905 -5.798 7.756 1.00 0.00 C ATOM 982 CD1 LEU A 63 -7.759 -4.560 7.545 1.00 0.00 C ATOM 983 CD2 LEU A 63 -6.331 -5.815 9.163 1.00 0.00 C ATOM 0 H LEU A 63 -6.080 -8.226 5.800 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.597 -8.420 8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.110 -7.015 6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.597 -7.048 8.154 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.074 -5.776 7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.161 -3.669 7.736 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.123 -4.540 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.607 -4.582 8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.747 -4.910 9.329 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.144 -5.860 9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.689 -6.688 9.284 1.00 0.00 H new ATOM 995 N TYR A 64 -9.123 -9.448 8.080 1.00 0.00 N ATOM 996 CA TYR A 64 -10.117 -10.518 8.045 1.00 0.00 C ATOM 997 C TYR A 64 -10.556 -10.785 6.613 1.00 0.00 C ATOM 998 O TYR A 64 -10.644 -11.932 6.170 1.00 0.00 O ATOM 999 CB TYR A 64 -11.335 -10.133 8.895 1.00 0.00 C ATOM 1000 CG TYR A 64 -11.002 -9.244 10.074 1.00 0.00 C ATOM 1001 CD1 TYR A 64 -10.578 -9.778 11.283 1.00 0.00 C ATOM 1002 CD2 TYR A 64 -11.108 -7.861 9.968 1.00 0.00 C ATOM 1003 CE1 TYR A 64 -10.271 -8.958 12.356 1.00 0.00 C ATOM 1004 CE2 TYR A 64 -10.803 -7.038 11.032 1.00 0.00 C ATOM 1005 CZ TYR A 64 -10.385 -7.589 12.224 1.00 0.00 C ATOM 1006 OH TYR A 64 -10.088 -6.765 13.287 1.00 0.00 O ATOM 0 H TYR A 64 -9.419 -8.622 8.599 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.667 -11.423 8.452 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -12.062 -9.624 8.262 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.813 -11.042 9.261 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.486 -10.849 11.389 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.435 -7.424 9.036 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.944 -9.388 13.291 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -10.891 -5.966 10.931 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.220 -5.830 13.023 1.00 0.00 H new ATOM 1016 N LEU A 65 -10.819 -9.710 5.895 1.00 0.00 N ATOM 1017 CA LEU A 65 -11.203 -9.788 4.500 1.00 0.00 C ATOM 1018 C LEU A 65 -10.495 -8.694 3.716 1.00 0.00 C ATOM 1019 O LEU A 65 -9.386 -8.955 3.211 1.00 0.00 O ATOM 1020 CB LEU A 65 -12.732 -9.696 4.321 1.00 0.00 C ATOM 1021 CG LEU A 65 -13.435 -8.481 4.952 1.00 0.00 C ATOM 1022 CD1 LEU A 65 -14.777 -8.239 4.278 1.00 0.00 C ATOM 1023 CD2 LEU A 65 -13.642 -8.684 6.447 1.00 0.00 C ATOM 1024 OXT LEU A 65 -11.031 -7.573 3.638 1.00 0.00 O ATOM 0 H LEU A 65 -10.772 -8.760 6.262 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.898 -10.761 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.949 -9.697 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.177 -10.600 4.737 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.795 -7.611 4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.263 -7.377 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -14.622 -8.048 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -15.409 -9.119 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -14.141 -7.811 6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -14.258 -9.568 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.676 -8.819 6.933 1.00 0.00 H new TER 1036 LEU A 65