USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 314 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN : amide:sc= -0.264 K(o=-12,f=-8) USER MOD Set 1.2: A 17 ASN : amide:sc= -12.2! C(o=-12!,f=-8!) USER MOD Single : A 1 THR N :NH3+ -98:sc= 0.418 (180deg=-0.0683) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 7 SER OG : rot 96:sc= 0.946 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0448 USER MOD Single : A 25 SER OG : rot 180:sc= -0.317 USER MOD Single : A 26 LYS NZ :NH3+ -147:sc= 0.206 (180deg=-1.63!) USER MOD Single : A 30 HIS : no HE2:sc= -3.82! K(o=-3.8!,f=-2.7) USER MOD Single : A 34 SER OG : rot 47:sc= 1.12 USER MOD Single : A 35 MET CE :methyl -100:sc= -0.0647 (180deg=-1.37!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 18.093 9.763 -5.252 1.00 0.00 N ATOM 2 CA THR A 1 18.436 8.321 -5.293 1.00 0.00 C ATOM 3 C THR A 1 18.339 7.724 -3.880 1.00 0.00 C ATOM 4 O THR A 1 19.110 6.850 -3.510 1.00 0.00 O ATOM 5 CB THR A 1 19.865 8.160 -5.835 1.00 0.00 C ATOM 6 OG1 THR A 1 20.427 9.444 -6.087 1.00 0.00 O ATOM 7 CG2 THR A 1 19.841 7.354 -7.138 1.00 0.00 C ATOM 0 H1 THR A 1 17.100 9.892 -5.533 1.00 0.00 H new ATOM 0 H2 THR A 1 18.229 10.125 -4.287 1.00 0.00 H new ATOM 0 H3 THR A 1 18.709 10.285 -5.908 1.00 0.00 H new ATOM 0 HA THR A 1 17.739 7.795 -5.945 1.00 0.00 H new ATOM 0 HB THR A 1 20.469 7.634 -5.096 1.00 0.00 H new ATOM 0 HG1 THR A 1 21.339 9.340 -6.431 1.00 0.00 H new ATOM 0 HG21 THR A 1 20.857 7.244 -7.516 1.00 0.00 H new ATOM 0 HG22 THR A 1 19.416 6.369 -6.948 1.00 0.00 H new ATOM 0 HG23 THR A 1 19.233 7.876 -7.877 1.00 0.00 H new ATOM 17 N VAL A 2 17.367 8.135 -3.106 1.00 0.00 N ATOM 18 CA VAL A 2 17.197 7.534 -1.755 1.00 0.00 C ATOM 19 C VAL A 2 17.063 6.020 -1.906 1.00 0.00 C ATOM 20 O VAL A 2 17.554 5.262 -1.099 1.00 0.00 O ATOM 21 CB VAL A 2 15.942 8.100 -1.078 1.00 0.00 C ATOM 22 CG1 VAL A 2 16.236 9.504 -0.541 1.00 0.00 C ATOM 23 CG2 VAL A 2 14.788 8.178 -2.087 1.00 0.00 C ATOM 0 H VAL A 2 16.689 8.856 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 2 18.062 7.773 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 2 15.658 7.442 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 2 15.343 9.904 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 2 17.047 9.453 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 2 16.527 10.155 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.902 8.581 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.072 8.828 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 2 14.570 7.180 -2.468 1.00 0.00 H new ATOM 33 N PHE A 3 16.427 5.579 -2.953 1.00 0.00 N ATOM 34 CA PHE A 3 16.288 4.114 -3.183 1.00 0.00 C ATOM 35 C PHE A 3 17.677 3.502 -3.342 1.00 0.00 C ATOM 36 O PHE A 3 18.042 2.571 -2.649 1.00 0.00 O ATOM 37 CB PHE A 3 15.472 3.865 -4.457 1.00 0.00 C ATOM 38 CG PHE A 3 14.643 2.616 -4.285 1.00 0.00 C ATOM 39 CD1 PHE A 3 13.575 2.609 -3.382 1.00 0.00 C ATOM 40 CD2 PHE A 3 14.944 1.469 -5.024 1.00 0.00 C ATOM 41 CE1 PHE A 3 12.806 1.452 -3.217 1.00 0.00 C ATOM 42 CE2 PHE A 3 14.175 0.310 -4.859 1.00 0.00 C ATOM 43 CZ PHE A 3 13.106 0.303 -3.955 1.00 0.00 C ATOM 0 H PHE A 3 15.996 6.171 -3.663 1.00 0.00 H new ATOM 0 HA PHE A 3 15.776 3.658 -2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.826 4.719 -4.661 1.00 0.00 H new ATOM 0 HB3 PHE A 3 16.138 3.758 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 3 13.344 3.497 -2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 3 15.769 1.476 -5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.981 1.446 -2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 3 14.407 -0.578 -5.429 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.513 -0.590 -3.828 1.00 0.00 H new ATOM 53 N ALA A 4 18.467 4.035 -4.235 1.00 0.00 N ATOM 54 CA ALA A 4 19.845 3.502 -4.420 1.00 0.00 C ATOM 55 C ALA A 4 20.572 3.553 -3.079 1.00 0.00 C ATOM 56 O ALA A 4 21.130 2.571 -2.626 1.00 0.00 O ATOM 57 CB ALA A 4 20.602 4.355 -5.442 1.00 0.00 C ATOM 0 H ALA A 4 18.217 4.815 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 4 19.796 2.475 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 4 21.609 3.959 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 4 20.077 4.331 -6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 4 20.660 5.384 -5.086 1.00 0.00 H new ATOM 63 N PHE A 5 20.547 4.688 -2.432 1.00 0.00 N ATOM 64 CA PHE A 5 21.216 4.807 -1.106 1.00 0.00 C ATOM 65 C PHE A 5 20.646 3.756 -0.157 1.00 0.00 C ATOM 66 O PHE A 5 21.348 2.885 0.307 1.00 0.00 O ATOM 67 CB PHE A 5 20.967 6.203 -0.519 1.00 0.00 C ATOM 68 CG PHE A 5 22.210 6.686 0.193 1.00 0.00 C ATOM 69 CD1 PHE A 5 23.322 7.116 -0.542 1.00 0.00 C ATOM 70 CD2 PHE A 5 22.252 6.698 1.591 1.00 0.00 C ATOM 71 CE1 PHE A 5 24.472 7.558 0.121 1.00 0.00 C ATOM 72 CE2 PHE A 5 23.403 7.139 2.256 1.00 0.00 C ATOM 73 CZ PHE A 5 24.513 7.569 1.521 1.00 0.00 C ATOM 0 H PHE A 5 20.092 5.538 -2.766 1.00 0.00 H new ATOM 0 HA PHE A 5 22.288 4.653 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 5 20.698 6.899 -1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 5 20.128 6.171 0.176 1.00 0.00 H new ATOM 0 HD1 PHE A 5 23.292 7.106 -1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 5 21.395 6.367 2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 5 25.328 7.891 -0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 5 23.434 7.147 3.336 1.00 0.00 H new ATOM 0 HZ PHE A 5 25.401 7.909 2.033 1.00 0.00 H new ATOM 83 N ALA A 6 19.383 3.850 0.154 1.00 0.00 N ATOM 84 CA ALA A 6 18.762 2.881 1.101 1.00 0.00 C ATOM 85 C ALA A 6 19.147 1.454 0.708 1.00 0.00 C ATOM 86 O ALA A 6 19.457 0.634 1.552 1.00 0.00 O ATOM 87 CB ALA A 6 17.238 3.022 1.054 1.00 0.00 C ATOM 0 H ALA A 6 18.750 4.562 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 6 19.119 3.089 2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 6 16.785 2.313 1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 6 16.958 4.036 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.885 2.817 0.043 1.00 0.00 H new ATOM 93 N SER A 7 19.106 1.149 -0.561 1.00 0.00 N ATOM 94 CA SER A 7 19.439 -0.232 -1.011 1.00 0.00 C ATOM 95 C SER A 7 20.920 -0.509 -0.769 1.00 0.00 C ATOM 96 O SER A 7 21.280 -1.400 -0.024 1.00 0.00 O ATOM 97 CB SER A 7 19.143 -0.364 -2.502 1.00 0.00 C ATOM 98 OG SER A 7 17.858 0.185 -2.767 1.00 0.00 O ATOM 0 H SER A 7 18.856 1.799 -1.307 1.00 0.00 H new ATOM 0 HA SER A 7 18.838 -0.948 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 7 19.903 0.157 -3.085 1.00 0.00 H new ATOM 0 HB3 SER A 7 19.174 -1.412 -2.801 1.00 0.00 H new ATOM 0 HG SER A 7 17.954 1.112 -3.069 1.00 0.00 H new ATOM 104 N MET A 8 21.781 0.247 -1.392 1.00 0.00 N ATOM 105 CA MET A 8 23.240 0.033 -1.199 1.00 0.00 C ATOM 106 C MET A 8 23.535 0.028 0.291 1.00 0.00 C ATOM 107 O MET A 8 24.309 -0.762 0.785 1.00 0.00 O ATOM 108 CB MET A 8 24.020 1.165 -1.869 1.00 0.00 C ATOM 109 CG MET A 8 24.544 0.686 -3.228 1.00 0.00 C ATOM 110 SD MET A 8 24.810 2.109 -4.315 1.00 0.00 S ATOM 111 CE MET A 8 26.441 2.582 -3.688 1.00 0.00 C ATOM 0 H MET A 8 21.535 1.006 -2.028 1.00 0.00 H new ATOM 0 HA MET A 8 23.538 -0.916 -1.644 1.00 0.00 H new ATOM 0 HB2 MET A 8 23.378 2.036 -2.001 1.00 0.00 H new ATOM 0 HB3 MET A 8 24.851 1.474 -1.235 1.00 0.00 H new ATOM 0 HG2 MET A 8 25.477 0.137 -3.096 1.00 0.00 H new ATOM 0 HG3 MET A 8 23.831 -0.002 -3.682 1.00 0.00 H new ATOM 0 HE1 MET A 8 26.800 3.456 -4.231 1.00 0.00 H new ATOM 0 HE2 MET A 8 26.368 2.818 -2.626 1.00 0.00 H new ATOM 0 HE3 MET A 8 27.138 1.756 -3.829 1.00 0.00 H new ATOM 121 N LEU A 9 22.881 0.882 1.011 1.00 0.00 N ATOM 122 CA LEU A 9 23.064 0.914 2.477 1.00 0.00 C ATOM 123 C LEU A 9 22.610 -0.425 3.053 1.00 0.00 C ATOM 124 O LEU A 9 23.415 -1.224 3.484 1.00 0.00 O ATOM 125 CB LEU A 9 22.228 2.056 3.066 1.00 0.00 C ATOM 126 CG LEU A 9 23.121 3.275 3.356 1.00 0.00 C ATOM 127 CD1 LEU A 9 24.012 2.989 4.568 1.00 0.00 C ATOM 128 CD2 LEU A 9 24.004 3.583 2.140 1.00 0.00 C ATOM 0 H LEU A 9 22.221 1.566 0.643 1.00 0.00 H new ATOM 0 HA LEU A 9 24.112 1.081 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 9 21.437 2.333 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 9 21.743 1.725 3.984 1.00 0.00 H new ATOM 0 HG LEU A 9 22.484 4.134 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 9 24.642 3.855 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 9 23.388 2.785 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 9 24.641 2.123 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 9 24.632 4.447 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 9 24.635 2.722 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 9 23.373 3.799 1.278 1.00 0.00 H new ATOM 140 N CYS A 10 21.333 -0.693 3.030 1.00 0.00 N ATOM 141 CA CYS A 10 20.829 -2.000 3.550 1.00 0.00 C ATOM 142 C CYS A 10 21.736 -3.135 3.074 1.00 0.00 C ATOM 143 O CYS A 10 21.980 -4.084 3.790 1.00 0.00 O ATOM 144 CB CYS A 10 19.407 -2.245 3.039 1.00 0.00 C ATOM 145 SG CYS A 10 18.221 -1.777 4.321 1.00 0.00 S ATOM 0 H CYS A 10 20.614 -0.063 2.673 1.00 0.00 H new ATOM 0 HA CYS A 10 20.827 -1.970 4.640 1.00 0.00 H new ATOM 0 HB2 CYS A 10 19.229 -1.665 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 10 19.279 -3.295 2.775 1.00 0.00 H new ATOM 0 HG CYS A 10 17.012 -1.982 3.889 1.00 0.00 H new ATOM 151 N LEU A 11 22.228 -3.049 1.872 1.00 0.00 N ATOM 152 CA LEU A 11 23.113 -4.124 1.350 1.00 0.00 C ATOM 153 C LEU A 11 24.555 -3.869 1.811 1.00 0.00 C ATOM 154 O LEU A 11 25.024 -4.455 2.772 1.00 0.00 O ATOM 155 CB LEU A 11 23.046 -4.134 -0.185 1.00 0.00 C ATOM 156 CG LEU A 11 22.042 -5.197 -0.651 1.00 0.00 C ATOM 157 CD1 LEU A 11 20.621 -4.626 -0.608 1.00 0.00 C ATOM 158 CD2 LEU A 11 22.372 -5.625 -2.084 1.00 0.00 C ATOM 0 H LEU A 11 22.055 -2.278 1.227 1.00 0.00 H new ATOM 0 HA LEU A 11 22.784 -5.091 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 11 22.748 -3.152 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 11 24.032 -4.344 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 11 22.105 -6.060 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.913 -5.386 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 11 20.380 -4.327 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 11 20.557 -3.759 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 11 21.657 -6.380 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 11 22.315 -4.760 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 11 23.379 -6.040 -2.117 1.00 0.00 H new ATOM 170 N LEU A 12 25.267 -3.025 1.114 1.00 0.00 N ATOM 171 CA LEU A 12 26.695 -2.753 1.466 1.00 0.00 C ATOM 172 C LEU A 12 26.829 -2.444 2.955 1.00 0.00 C ATOM 173 O LEU A 12 27.790 -2.836 3.591 1.00 0.00 O ATOM 174 CB LEU A 12 27.206 -1.547 0.671 1.00 0.00 C ATOM 175 CG LEU A 12 27.384 -1.933 -0.801 1.00 0.00 C ATOM 176 CD1 LEU A 12 27.708 -0.687 -1.625 1.00 0.00 C ATOM 177 CD2 LEU A 12 28.532 -2.936 -0.943 1.00 0.00 C ATOM 0 H LEU A 12 24.919 -2.506 0.308 1.00 0.00 H new ATOM 0 HA LEU A 12 27.281 -3.640 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 12 26.502 -0.719 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 12 28.155 -1.203 1.084 1.00 0.00 H new ATOM 0 HG LEU A 12 26.459 -2.384 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 12 27.834 -0.965 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 12 26.892 0.030 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 12 28.629 -0.236 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 12 28.652 -3.205 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 12 29.455 -2.487 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 12 28.307 -3.831 -0.362 1.00 0.00 H new ATOM 189 N ASN A 13 25.917 -1.696 3.504 1.00 0.00 N ATOM 190 CA ASN A 13 26.042 -1.309 4.939 1.00 0.00 C ATOM 191 C ASN A 13 25.852 -2.536 5.818 1.00 0.00 C ATOM 192 O ASN A 13 26.336 -2.592 6.926 1.00 0.00 O ATOM 193 CB ASN A 13 24.972 -0.279 5.299 1.00 0.00 C ATOM 194 CG ASN A 13 25.405 0.515 6.530 1.00 0.00 C ATOM 195 OD1 ASN A 13 24.672 0.612 7.493 1.00 0.00 O ATOM 196 ND2 ASN A 13 26.569 1.093 6.541 1.00 0.00 N ATOM 0 H ASN A 13 25.092 -1.335 3.025 1.00 0.00 H new ATOM 0 HA ASN A 13 27.032 -0.882 5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 13 24.808 0.396 4.459 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.024 -0.780 5.494 1.00 0.00 H new ATOM 0 HD21 ASN A 13 26.865 1.627 7.358 1.00 0.00 H new ATOM 0 HD22 ASN A 13 27.186 1.012 5.733 1.00 0.00 H new ATOM 203 N SER A 14 25.071 -3.473 5.379 1.00 0.00 N ATOM 204 CA SER A 14 24.764 -4.635 6.245 1.00 0.00 C ATOM 205 C SER A 14 25.885 -5.679 6.146 1.00 0.00 C ATOM 206 O SER A 14 26.144 -6.406 7.087 1.00 0.00 O ATOM 207 CB SER A 14 23.433 -5.241 5.796 1.00 0.00 C ATOM 208 OG SER A 14 23.127 -6.385 6.586 1.00 0.00 O ATOM 0 H SER A 14 24.632 -3.485 4.459 1.00 0.00 H new ATOM 0 HA SER A 14 24.690 -4.313 7.284 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.638 -4.501 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.488 -5.520 4.744 1.00 0.00 H new ATOM 0 HG SER A 14 22.273 -6.766 6.293 1.00 0.00 H new ATOM 214 N THR A 15 26.494 -5.825 4.997 1.00 0.00 N ATOM 215 CA THR A 15 27.519 -6.906 4.840 1.00 0.00 C ATOM 216 C THR A 15 28.932 -6.313 4.749 1.00 0.00 C ATOM 217 O THR A 15 29.911 -7.002 4.983 1.00 0.00 O ATOM 218 CB THR A 15 27.210 -7.741 3.577 1.00 0.00 C ATOM 219 OG1 THR A 15 28.398 -7.956 2.824 1.00 0.00 O ATOM 220 CG2 THR A 15 26.188 -7.018 2.695 1.00 0.00 C ATOM 0 H THR A 15 26.330 -5.252 4.169 1.00 0.00 H new ATOM 0 HA THR A 15 27.478 -7.551 5.717 1.00 0.00 H new ATOM 0 HB THR A 15 26.801 -8.699 3.897 1.00 0.00 H new ATOM 0 HG1 THR A 15 28.189 -8.488 2.028 1.00 0.00 H new ATOM 0 HG21 THR A 15 25.981 -7.619 1.810 1.00 0.00 H new ATOM 0 HG22 THR A 15 25.265 -6.868 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 15 26.589 -6.051 2.391 1.00 0.00 H new ATOM 228 N VAL A 16 29.071 -5.083 4.334 1.00 0.00 N ATOM 229 CA VAL A 16 30.444 -4.528 4.145 1.00 0.00 C ATOM 230 C VAL A 16 30.508 -3.088 4.645 1.00 0.00 C ATOM 231 O VAL A 16 30.625 -2.159 3.864 1.00 0.00 O ATOM 232 CB VAL A 16 30.806 -4.564 2.652 1.00 0.00 C ATOM 233 CG1 VAL A 16 32.326 -4.627 2.489 1.00 0.00 C ATOM 234 CG2 VAL A 16 30.182 -5.800 1.996 1.00 0.00 C ATOM 0 H VAL A 16 28.305 -4.445 4.120 1.00 0.00 H new ATOM 0 HA VAL A 16 31.151 -5.132 4.714 1.00 0.00 H new ATOM 0 HB VAL A 16 30.423 -3.662 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 16 32.577 -4.652 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 16 32.778 -3.748 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 16 32.707 -5.526 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 16 30.442 -5.820 0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 16 30.562 -6.700 2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 16 29.098 -5.760 2.103 1.00 0.00 H new ATOM 244 N ASN A 17 30.549 -2.878 5.931 1.00 0.00 N ATOM 245 CA ASN A 17 30.736 -1.484 6.411 1.00 0.00 C ATOM 246 C ASN A 17 30.963 -1.432 7.913 1.00 0.00 C ATOM 247 O ASN A 17 31.913 -0.823 8.359 1.00 0.00 O ATOM 248 CB ASN A 17 29.515 -0.639 6.042 1.00 0.00 C ATOM 249 CG ASN A 17 29.980 0.606 5.298 1.00 0.00 C ATOM 250 OD1 ASN A 17 29.287 1.118 4.444 1.00 0.00 O ATOM 251 ND2 ASN A 17 31.146 1.106 5.575 1.00 0.00 N ATOM 0 H ASN A 17 30.463 -3.593 6.654 1.00 0.00 H new ATOM 0 HA ASN A 17 31.624 -1.081 5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 17 28.832 -1.217 5.419 1.00 0.00 H new ATOM 0 HB3 ASN A 17 28.966 -0.358 6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 17 31.480 1.930 5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 17 31.728 0.675 6.293 1.00 0.00 H new ATOM 258 N PRO A 18 30.096 -2.022 8.693 1.00 0.00 N ATOM 259 CA PRO A 18 30.223 -1.982 10.176 1.00 0.00 C ATOM 260 C PRO A 18 31.614 -2.424 10.627 1.00 0.00 C ATOM 261 O PRO A 18 31.936 -2.407 11.799 1.00 0.00 O ATOM 262 CB PRO A 18 29.164 -2.964 10.677 1.00 0.00 C ATOM 263 CG PRO A 18 28.182 -3.122 9.560 1.00 0.00 C ATOM 264 CD PRO A 18 28.917 -2.790 8.259 1.00 0.00 C ATOM 0 HA PRO A 18 30.084 -0.975 10.568 1.00 0.00 H new ATOM 0 HB2 PRO A 18 29.614 -3.922 10.939 1.00 0.00 H new ATOM 0 HB3 PRO A 18 28.675 -2.585 11.575 1.00 0.00 H new ATOM 0 HG2 PRO A 18 27.792 -4.139 9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 18 27.330 -2.457 9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 18 29.206 -3.694 7.724 1.00 0.00 H new ATOM 0 HD3 PRO A 18 28.289 -2.208 7.585 1.00 0.00 H new ATOM 272 N ILE A 19 32.421 -2.868 9.704 1.00 0.00 N ATOM 273 CA ILE A 19 33.763 -3.367 10.069 1.00 0.00 C ATOM 274 C ILE A 19 34.738 -2.192 10.193 1.00 0.00 C ATOM 275 O ILE A 19 35.328 -1.980 11.237 1.00 0.00 O ATOM 276 CB ILE A 19 34.258 -4.356 9.004 1.00 0.00 C ATOM 277 CG1 ILE A 19 33.074 -5.166 8.452 1.00 0.00 C ATOM 278 CG2 ILE A 19 35.267 -5.321 9.631 1.00 0.00 C ATOM 279 CD1 ILE A 19 32.828 -4.792 6.990 1.00 0.00 C ATOM 0 H ILE A 19 32.201 -2.904 8.709 1.00 0.00 H new ATOM 0 HA ILE A 19 33.707 -3.881 11.029 1.00 0.00 H new ATOM 0 HB ILE A 19 34.729 -3.798 8.195 1.00 0.00 H new ATOM 0 HG12 ILE A 19 33.282 -6.233 8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 19 32.180 -4.969 9.043 1.00 0.00 H new ATOM 0 HG21 ILE A 19 35.618 -6.023 8.874 1.00 0.00 H new ATOM 0 HG22 ILE A 19 36.113 -4.758 10.024 1.00 0.00 H new ATOM 0 HG23 ILE A 19 34.789 -5.871 10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 19 31.988 -5.369 6.603 1.00 0.00 H new ATOM 0 HD12 ILE A 19 32.601 -3.728 6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 19 33.720 -5.012 6.403 1.00 0.00 H new ATOM 291 N ILE A 20 34.945 -1.450 9.134 1.00 0.00 N ATOM 292 CA ILE A 20 35.922 -0.321 9.198 1.00 0.00 C ATOM 293 C ILE A 20 35.457 0.841 8.304 1.00 0.00 C ATOM 294 O ILE A 20 35.334 1.964 8.754 1.00 0.00 O ATOM 295 CB ILE A 20 37.308 -0.807 8.739 1.00 0.00 C ATOM 296 CG1 ILE A 20 37.167 -1.716 7.502 1.00 0.00 C ATOM 297 CG2 ILE A 20 37.988 -1.577 9.879 1.00 0.00 C ATOM 298 CD1 ILE A 20 37.426 -3.177 7.874 1.00 0.00 C ATOM 0 H ILE A 20 34.483 -1.576 8.233 1.00 0.00 H new ATOM 0 HA ILE A 20 35.984 0.032 10.228 1.00 0.00 H new ATOM 0 HB ILE A 20 37.919 0.056 8.473 1.00 0.00 H new ATOM 0 HG12 ILE A 20 36.167 -1.614 7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 20 37.870 -1.401 6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 20 38.969 -1.920 9.552 1.00 0.00 H new ATOM 0 HG22 ILE A 20 38.102 -0.922 10.743 1.00 0.00 H new ATOM 0 HG23 ILE A 20 37.376 -2.436 10.153 1.00 0.00 H new ATOM 0 HD11 ILE A 20 37.322 -3.802 6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 20 38.436 -3.278 8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.705 -3.494 8.628 1.00 0.00 H new ATOM 310 N TYR A 21 35.261 0.597 7.032 1.00 0.00 N ATOM 311 CA TYR A 21 34.890 1.702 6.089 1.00 0.00 C ATOM 312 C TYR A 21 33.500 2.255 6.430 1.00 0.00 C ATOM 313 O TYR A 21 32.834 2.808 5.578 1.00 0.00 O ATOM 314 CB TYR A 21 34.885 1.176 4.640 1.00 0.00 C ATOM 315 CG TYR A 21 35.222 -0.301 4.607 1.00 0.00 C ATOM 316 CD1 TYR A 21 36.555 -0.714 4.492 1.00 0.00 C ATOM 317 CD2 TYR A 21 34.200 -1.253 4.679 1.00 0.00 C ATOM 318 CE1 TYR A 21 36.864 -2.080 4.449 1.00 0.00 C ATOM 319 CE2 TYR A 21 34.508 -2.618 4.632 1.00 0.00 C ATOM 320 CZ TYR A 21 35.840 -3.032 4.516 1.00 0.00 C ATOM 321 OH TYR A 21 36.138 -4.378 4.459 1.00 0.00 O ATOM 0 H TYR A 21 35.342 -0.324 6.602 1.00 0.00 H new ATOM 0 HA TYR A 21 35.626 2.500 6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 21 33.906 1.341 4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 21 35.607 1.733 4.043 1.00 0.00 H new ATOM 0 HD1 TYR A 21 37.345 0.020 4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 21 33.172 -0.935 4.771 1.00 0.00 H new ATOM 0 HE1 TYR A 21 37.892 -2.398 4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 21 33.717 -3.352 4.685 1.00 0.00 H new ATOM 0 HH TYR A 21 35.310 -4.899 4.520 1.00 0.00 H new ATOM 331 N ALA A 22 33.037 2.061 7.640 1.00 0.00 N ATOM 332 CA ALA A 22 31.661 2.515 8.029 1.00 0.00 C ATOM 333 C ALA A 22 31.358 3.921 7.485 1.00 0.00 C ATOM 334 O ALA A 22 31.433 4.895 8.201 1.00 0.00 O ATOM 335 CB ALA A 22 31.549 2.536 9.555 1.00 0.00 C ATOM 0 H ALA A 22 33.559 1.602 8.386 1.00 0.00 H new ATOM 0 HA ALA A 22 30.940 1.818 7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 22 30.550 2.865 9.842 1.00 0.00 H new ATOM 0 HB2 ALA A 22 31.727 1.535 9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 22 32.289 3.223 9.965 1.00 0.00 H new ATOM 341 N LEU A 23 30.920 4.009 6.255 1.00 0.00 N ATOM 342 CA LEU A 23 30.489 5.317 5.674 1.00 0.00 C ATOM 343 C LEU A 23 31.592 6.369 5.801 1.00 0.00 C ATOM 344 O LEU A 23 31.347 7.549 5.644 1.00 0.00 O ATOM 345 CB LEU A 23 29.222 5.794 6.387 1.00 0.00 C ATOM 346 CG LEU A 23 28.104 4.773 6.145 1.00 0.00 C ATOM 347 CD1 LEU A 23 27.269 4.603 7.417 1.00 0.00 C ATOM 348 CD2 LEU A 23 27.201 5.261 5.007 1.00 0.00 C ATOM 0 H LEU A 23 30.842 3.216 5.618 1.00 0.00 H new ATOM 0 HA LEU A 23 30.284 5.176 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.409 5.903 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.925 6.774 6.014 1.00 0.00 H new ATOM 0 HG LEU A 23 28.549 3.815 5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.477 3.876 7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.908 4.251 8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.827 5.561 7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 23 26.407 4.534 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 23 26.762 6.222 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 23 27.791 5.375 4.098 1.00 0.00 H new ATOM 360 N ARG A 24 32.817 5.949 5.929 1.00 0.00 N ATOM 361 CA ARG A 24 33.942 6.928 5.883 1.00 0.00 C ATOM 362 C ARG A 24 34.878 6.529 4.745 1.00 0.00 C ATOM 363 O ARG A 24 34.732 6.977 3.622 1.00 0.00 O ATOM 364 CB ARG A 24 34.718 6.959 7.217 1.00 0.00 C ATOM 365 CG ARG A 24 34.550 5.645 7.997 1.00 0.00 C ATOM 366 CD ARG A 24 34.586 5.937 9.502 1.00 0.00 C ATOM 367 NE ARG A 24 33.596 7.009 9.832 1.00 0.00 N ATOM 368 CZ ARG A 24 32.432 6.711 10.362 1.00 0.00 C ATOM 369 NH1 ARG A 24 32.110 5.465 10.594 1.00 0.00 N ATOM 370 NH2 ARG A 24 31.590 7.665 10.656 1.00 0.00 N ATOM 0 H ARG A 24 33.090 4.975 6.063 1.00 0.00 H new ATOM 0 HA ARG A 24 33.539 7.927 5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 24 35.776 7.134 7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 24 34.365 7.792 7.825 1.00 0.00 H new ATOM 0 HG2 ARG A 24 33.606 5.169 7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 24 35.345 4.948 7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 24 34.356 5.031 10.063 1.00 0.00 H new ATOM 0 HD3 ARG A 24 35.587 6.250 9.798 1.00 0.00 H new ATOM 0 HE ARG A 24 33.828 7.984 9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 24 32.765 4.718 10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 24 31.204 5.241 11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 24 31.837 8.638 10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 24 30.685 7.437 11.068 1.00 0.00 H new ATOM 384 N SER A 25 35.805 5.658 5.011 1.00 0.00 N ATOM 385 CA SER A 25 36.723 5.196 3.940 1.00 0.00 C ATOM 386 C SER A 25 35.949 4.368 2.912 1.00 0.00 C ATOM 387 O SER A 25 36.508 3.907 1.938 1.00 0.00 O ATOM 388 CB SER A 25 37.828 4.343 4.561 1.00 0.00 C ATOM 389 OG SER A 25 37.440 3.956 5.878 1.00 0.00 O ATOM 0 H SER A 25 35.967 5.244 5.929 1.00 0.00 H new ATOM 0 HA SER A 25 37.162 6.059 3.440 1.00 0.00 H new ATOM 0 HB2 SER A 25 38.009 3.460 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 25 38.762 4.905 4.595 1.00 0.00 H new ATOM 0 HG SER A 25 38.146 3.407 6.279 1.00 0.00 H new ATOM 395 N LYS A 26 34.667 4.169 3.119 1.00 0.00 N ATOM 396 CA LYS A 26 33.867 3.364 2.149 1.00 0.00 C ATOM 397 C LYS A 26 34.256 3.764 0.729 1.00 0.00 C ATOM 398 O LYS A 26 34.586 2.932 -0.091 1.00 0.00 O ATOM 399 CB LYS A 26 32.369 3.635 2.353 1.00 0.00 C ATOM 400 CG LYS A 26 31.653 2.345 2.764 1.00 0.00 C ATOM 401 CD LYS A 26 31.684 1.332 1.613 1.00 0.00 C ATOM 402 CE LYS A 26 31.848 -0.081 2.187 1.00 0.00 C ATOM 403 NZ LYS A 26 30.642 -0.897 1.873 1.00 0.00 N ATOM 0 H LYS A 26 34.144 4.530 3.917 1.00 0.00 H new ATOM 0 HA LYS A 26 34.067 2.305 2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 26 32.230 4.397 3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 26 31.933 4.025 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 26 32.132 1.919 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 26 30.621 2.565 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 26 30.764 1.396 1.031 1.00 0.00 H new ATOM 0 HD3 LYS A 26 32.507 1.559 0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 26 32.737 -0.553 1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 26 31.993 -0.030 3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 30.468 -1.571 2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 29.818 -0.272 1.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 30.797 -1.419 0.987 1.00 0.00 H new ATOM 417 N ASP A 27 34.208 5.036 0.447 1.00 0.00 N ATOM 418 CA ASP A 27 34.564 5.534 -0.915 1.00 0.00 C ATOM 419 C ASP A 27 35.821 4.823 -1.421 1.00 0.00 C ATOM 420 O ASP A 27 35.838 4.266 -2.500 1.00 0.00 O ATOM 421 CB ASP A 27 34.831 7.039 -0.846 1.00 0.00 C ATOM 422 CG ASP A 27 35.249 7.552 -2.225 1.00 0.00 C ATOM 423 OD1 ASP A 27 34.599 7.198 -3.194 1.00 0.00 O ATOM 424 OD2 ASP A 27 36.208 8.299 -2.293 1.00 0.00 O ATOM 0 H ASP A 27 33.934 5.762 1.109 1.00 0.00 H new ATOM 0 HA ASP A 27 33.739 5.332 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.936 7.562 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 27 35.615 7.246 -0.117 1.00 0.00 H new ATOM 429 N LEU A 28 36.882 4.879 -0.671 1.00 0.00 N ATOM 430 CA LEU A 28 38.151 4.251 -1.132 1.00 0.00 C ATOM 431 C LEU A 28 38.040 2.733 -1.033 1.00 0.00 C ATOM 432 O LEU A 28 38.601 2.016 -1.827 1.00 0.00 O ATOM 433 CB LEU A 28 39.314 4.731 -0.255 1.00 0.00 C ATOM 434 CG LEU A 28 39.952 5.987 -0.864 1.00 0.00 C ATOM 435 CD1 LEU A 28 40.548 5.664 -2.237 1.00 0.00 C ATOM 436 CD2 LEU A 28 38.896 7.079 -1.019 1.00 0.00 C ATOM 0 H LEU A 28 36.927 5.332 0.242 1.00 0.00 H new ATOM 0 HA LEU A 28 38.333 4.536 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 28 38.955 4.948 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 28 40.061 3.942 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 28 40.744 6.334 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 28 40.998 6.563 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 28 41.311 4.893 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 28 39.761 5.306 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 28 39.353 7.969 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 28 38.100 6.725 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.480 7.324 -0.042 1.00 0.00 H new ATOM 448 N ARG A 29 37.406 2.243 -0.007 1.00 0.00 N ATOM 449 CA ARG A 29 37.357 0.767 0.221 1.00 0.00 C ATOM 450 C ARG A 29 37.211 0.016 -1.102 1.00 0.00 C ATOM 451 O ARG A 29 37.962 -0.890 -1.387 1.00 0.00 O ATOM 452 CB ARG A 29 36.181 0.424 1.131 1.00 0.00 C ATOM 453 CG ARG A 29 36.111 -1.097 1.328 1.00 0.00 C ATOM 454 CD ARG A 29 35.100 -1.716 0.349 1.00 0.00 C ATOM 455 NE ARG A 29 35.717 -2.873 -0.365 1.00 0.00 N ATOM 456 CZ ARG A 29 36.125 -3.926 0.298 1.00 0.00 C ATOM 457 NH1 ARG A 29 36.073 -3.947 1.603 1.00 0.00 N ATOM 458 NH2 ARG A 29 36.590 -4.956 -0.348 1.00 0.00 N ATOM 0 H ARG A 29 36.915 2.803 0.690 1.00 0.00 H new ATOM 0 HA ARG A 29 38.291 0.463 0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 29 36.296 0.921 2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 29 35.251 0.788 0.694 1.00 0.00 H new ATOM 0 HG2 ARG A 29 37.096 -1.537 1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 29 35.821 -1.325 2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 29 34.213 -2.044 0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 29 34.774 -0.966 -0.372 1.00 0.00 H new ATOM 0 HE ARG A 29 35.822 -2.843 -1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 29 35.713 -3.140 2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 29 36.392 -4.771 2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 29 36.636 -4.941 -1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 29 36.909 -5.778 0.165 1.00 0.00 H new ATOM 472 N HIS A 30 36.253 0.371 -1.909 1.00 0.00 N ATOM 473 CA HIS A 30 36.083 -0.349 -3.205 1.00 0.00 C ATOM 474 C HIS A 30 36.966 0.318 -4.259 1.00 0.00 C ATOM 475 O HIS A 30 37.706 -0.343 -4.968 1.00 0.00 O ATOM 476 CB HIS A 30 34.620 -0.311 -3.646 1.00 0.00 C ATOM 477 CG HIS A 30 34.172 1.119 -3.784 1.00 0.00 C ATOM 478 ND1 HIS A 30 34.018 1.735 -5.019 1.00 0.00 N ATOM 479 CD2 HIS A 30 33.864 2.076 -2.847 1.00 0.00 C ATOM 480 CE1 HIS A 30 33.639 3.006 -4.794 1.00 0.00 C ATOM 481 NE2 HIS A 30 33.532 3.263 -3.491 1.00 0.00 N ATOM 0 H HIS A 30 35.585 1.121 -1.732 1.00 0.00 H new ATOM 0 HA HIS A 30 36.376 -1.392 -3.084 1.00 0.00 H new ATOM 0 HB2 HIS A 30 34.502 -0.833 -4.596 1.00 0.00 H new ATOM 0 HB3 HIS A 30 33.996 -0.830 -2.918 1.00 0.00 H new ATOM 0 HD1 HIS A 30 34.165 1.302 -5.931 1.00 0.00 H new ATOM 0 HD2 HIS A 30 33.878 1.929 -1.777 1.00 0.00 H new ATOM 0 HE1 HIS A 30 33.445 3.729 -5.573 1.00 0.00 H new ATOM 490 N ALA A 31 36.995 1.628 -4.278 1.00 0.00 N ATOM 491 CA ALA A 31 37.946 2.333 -5.185 1.00 0.00 C ATOM 492 C ALA A 31 39.353 1.823 -4.879 1.00 0.00 C ATOM 493 O ALA A 31 40.293 2.039 -5.615 1.00 0.00 O ATOM 494 CB ALA A 31 37.884 3.843 -4.943 1.00 0.00 C ATOM 0 H ALA A 31 36.405 2.234 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 31 37.685 2.139 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 31 38.582 4.347 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 31 36.873 4.201 -5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 31 38.152 4.057 -3.908 1.00 0.00 H new ATOM 500 N PHE A 32 39.481 1.108 -3.810 1.00 0.00 N ATOM 501 CA PHE A 32 40.782 0.516 -3.438 1.00 0.00 C ATOM 502 C PHE A 32 40.709 -0.983 -3.702 1.00 0.00 C ATOM 503 O PHE A 32 41.391 -1.514 -4.558 1.00 0.00 O ATOM 504 CB PHE A 32 41.026 0.774 -1.951 1.00 0.00 C ATOM 505 CG PHE A 32 42.369 0.220 -1.534 1.00 0.00 C ATOM 506 CD1 PHE A 32 43.544 0.747 -2.078 1.00 0.00 C ATOM 507 CD2 PHE A 32 42.437 -0.820 -0.598 1.00 0.00 C ATOM 508 CE1 PHE A 32 44.787 0.235 -1.692 1.00 0.00 C ATOM 509 CE2 PHE A 32 43.680 -1.332 -0.210 1.00 0.00 C ATOM 510 CZ PHE A 32 44.855 -0.805 -0.758 1.00 0.00 C ATOM 0 H PHE A 32 38.720 0.904 -3.162 1.00 0.00 H new ATOM 0 HA PHE A 32 41.595 0.954 -4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 32 40.989 1.845 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 32 40.235 0.311 -1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 32 43.492 1.551 -2.797 1.00 0.00 H new ATOM 0 HD2 PHE A 32 41.530 -1.227 -0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 32 45.694 0.642 -2.114 1.00 0.00 H new ATOM 0 HE2 PHE A 32 43.733 -2.133 0.512 1.00 0.00 H new ATOM 0 HZ PHE A 32 45.815 -1.201 -0.460 1.00 0.00 H new ATOM 520 N ARG A 33 39.851 -1.662 -2.993 1.00 0.00 N ATOM 521 CA ARG A 33 39.681 -3.127 -3.193 1.00 0.00 C ATOM 522 C ARG A 33 38.955 -3.395 -4.508 1.00 0.00 C ATOM 523 O ARG A 33 38.025 -4.183 -4.559 1.00 0.00 O ATOM 524 CB ARG A 33 38.847 -3.698 -2.045 1.00 0.00 C ATOM 525 CG ARG A 33 39.645 -3.620 -0.742 1.00 0.00 C ATOM 526 CD ARG A 33 40.382 -4.943 -0.498 1.00 0.00 C ATOM 527 NE ARG A 33 41.286 -5.227 -1.655 1.00 0.00 N ATOM 528 CZ ARG A 33 42.589 -5.278 -1.501 1.00 0.00 C ATOM 529 NH1 ARG A 33 43.130 -5.125 -0.319 1.00 0.00 N ATOM 530 NH2 ARG A 33 43.350 -5.491 -2.539 1.00 0.00 N ATOM 0 H ARG A 33 39.252 -1.257 -2.273 1.00 0.00 H new ATOM 0 HA ARG A 33 40.663 -3.599 -3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 33 37.916 -3.140 -1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 33 38.578 -4.733 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 33 40.361 -2.800 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 33 38.976 -3.408 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 33 40.960 -4.886 0.424 1.00 0.00 H new ATOM 0 HD3 ARG A 33 39.665 -5.754 -0.375 1.00 0.00 H new ATOM 0 HE ARG A 33 40.884 -5.384 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 33 42.538 -4.964 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 33 44.144 -5.167 -0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 33 42.932 -5.616 -3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 33 44.363 -5.532 -2.429 1.00 0.00 H new ATOM 544 N SER A 34 39.368 -2.766 -5.571 1.00 0.00 N ATOM 545 CA SER A 34 38.704 -3.009 -6.880 1.00 0.00 C ATOM 546 C SER A 34 39.210 -2.008 -7.917 1.00 0.00 C ATOM 547 O SER A 34 39.157 -2.264 -9.102 1.00 0.00 O ATOM 548 CB SER A 34 37.190 -2.861 -6.721 1.00 0.00 C ATOM 549 OG SER A 34 36.616 -4.152 -6.544 1.00 0.00 O ATOM 0 H SER A 34 40.136 -2.095 -5.590 1.00 0.00 H new ATOM 0 HA SER A 34 38.938 -4.019 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 34 36.961 -2.226 -5.865 1.00 0.00 H new ATOM 0 HB3 SER A 34 36.764 -2.377 -7.600 1.00 0.00 H new ATOM 0 HG SER A 34 37.130 -4.649 -5.874 1.00 0.00 H new ATOM 555 N MET A 35 39.644 -0.851 -7.495 1.00 0.00 N ATOM 556 CA MET A 35 40.076 0.175 -8.481 1.00 0.00 C ATOM 557 C MET A 35 41.538 0.539 -8.248 1.00 0.00 C ATOM 558 O MET A 35 42.335 0.513 -9.164 1.00 0.00 O ATOM 559 CB MET A 35 39.199 1.418 -8.330 1.00 0.00 C ATOM 560 CG MET A 35 37.768 1.086 -8.766 1.00 0.00 C ATOM 561 SD MET A 35 37.798 0.306 -10.401 1.00 0.00 S ATOM 562 CE MET A 35 36.424 -0.846 -10.146 1.00 0.00 C ATOM 0 H MET A 35 39.717 -0.575 -6.516 1.00 0.00 H new ATOM 0 HA MET A 35 39.971 -0.224 -9.490 1.00 0.00 H new ATOM 0 HB2 MET A 35 39.206 1.758 -7.294 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.596 2.233 -8.936 1.00 0.00 H new ATOM 0 HG2 MET A 35 37.302 0.418 -8.042 1.00 0.00 H new ATOM 0 HG3 MET A 35 37.166 1.994 -8.796 1.00 0.00 H new ATOM 0 HE1 MET A 35 36.817 -1.836 -9.916 1.00 0.00 H new ATOM 0 HE2 MET A 35 35.807 -0.499 -9.317 1.00 0.00 H new ATOM 0 HE3 MET A 35 35.819 -0.897 -11.051 1.00 0.00 H new ATOM 572 N PHE A 36 41.903 0.906 -7.048 1.00 0.00 N ATOM 573 CA PHE A 36 43.320 1.297 -6.805 1.00 0.00 C ATOM 574 C PHE A 36 44.233 0.224 -7.390 1.00 0.00 C ATOM 575 O PHE A 36 44.203 -0.917 -6.973 1.00 0.00 O ATOM 576 CB PHE A 36 43.602 1.431 -5.310 1.00 0.00 C ATOM 577 CG PHE A 36 44.929 2.131 -5.119 1.00 0.00 C ATOM 578 CD1 PHE A 36 45.031 3.510 -5.346 1.00 0.00 C ATOM 579 CD2 PHE A 36 46.054 1.403 -4.720 1.00 0.00 C ATOM 580 CE1 PHE A 36 46.259 4.158 -5.172 1.00 0.00 C ATOM 581 CE2 PHE A 36 47.282 2.051 -4.545 1.00 0.00 C ATOM 582 CZ PHE A 36 47.385 3.429 -4.771 1.00 0.00 C ATOM 0 H PHE A 36 41.289 0.951 -6.235 1.00 0.00 H new ATOM 0 HA PHE A 36 43.504 2.261 -7.280 1.00 0.00 H new ATOM 0 HB2 PHE A 36 42.805 1.996 -4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 36 43.625 0.447 -4.842 1.00 0.00 H new ATOM 0 HD1 PHE A 36 44.162 4.072 -5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 36 45.975 0.340 -4.547 1.00 0.00 H new ATOM 0 HE1 PHE A 36 46.338 5.221 -5.347 1.00 0.00 H new ATOM 0 HE2 PHE A 36 48.150 1.488 -4.236 1.00 0.00 H new ATOM 0 HZ PHE A 36 48.333 3.929 -4.636 1.00 0.00 H new ATOM 592 N PRO A 37 44.992 0.576 -8.388 1.00 0.00 N ATOM 593 CA PRO A 37 45.889 -0.377 -9.102 1.00 0.00 C ATOM 594 C PRO A 37 47.152 -0.634 -8.310 1.00 0.00 C ATOM 595 O PRO A 37 47.758 -1.686 -8.405 1.00 0.00 O ATOM 596 CB PRO A 37 46.240 0.375 -10.376 1.00 0.00 C ATOM 597 CG PRO A 37 46.270 1.792 -9.930 1.00 0.00 C ATOM 598 CD PRO A 37 45.101 1.931 -8.955 1.00 0.00 C ATOM 0 HA PRO A 37 45.422 -1.348 -9.268 1.00 0.00 H new ATOM 0 HB2 PRO A 37 47.202 0.058 -10.780 1.00 0.00 H new ATOM 0 HB3 PRO A 37 45.498 0.213 -11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 37 47.217 2.032 -9.446 1.00 0.00 H new ATOM 0 HG3 PRO A 37 46.161 2.473 -10.774 1.00 0.00 H new ATOM 0 HD2 PRO A 37 45.301 2.677 -8.186 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.184 2.233 -9.462 1.00 0.00 H new ATOM 606 N SER A 38 47.583 0.350 -7.569 1.00 0.00 N ATOM 607 CA SER A 38 48.839 0.199 -6.808 1.00 0.00 C ATOM 608 C SER A 38 49.991 0.072 -7.807 1.00 0.00 C ATOM 609 O SER A 38 50.996 -0.567 -7.551 1.00 0.00 O ATOM 610 CB SER A 38 48.708 -1.052 -5.951 1.00 0.00 C ATOM 611 OG SER A 38 49.003 -0.740 -4.592 1.00 0.00 O ATOM 0 H SER A 38 47.114 1.250 -7.462 1.00 0.00 H new ATOM 0 HA SER A 38 49.035 1.055 -6.162 1.00 0.00 H new ATOM 0 HB2 SER A 38 47.698 -1.454 -6.030 1.00 0.00 H new ATOM 0 HB3 SER A 38 49.388 -1.824 -6.312 1.00 0.00 H new ATOM 0 HG SER A 38 48.916 -1.548 -4.044 1.00 0.00 H new