USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 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 38 THR OG1 : rot 170:sc= 0.217 USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0.202 USER MOD Set 2.1: A 16 TYR OH : rot 110:sc= -0.407! USER MOD Set 2.2: A 23 GLN : amide:sc= -1.4 K(o=-1.8,f=-8.1!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0679 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 24:sc= 0.814 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.966 K(o=-0.97,f=-2.7!) USER MOD Single : A 39 THR OG1 : rot -5:sc= 0.755 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -25:sc= -1.9! USER MOD Single : A 57 ASN : amide:sc= -0.0462 X(o=-0.046,f=-0.37) USER MOD Single : A 58 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.24) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 35:sc= 0.426 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.657 6.192 -12.742 1.00 0.00 N ATOM 2 CA GLY A 1 6.073 5.588 -11.557 1.00 0.00 C ATOM 3 C GLY A 1 4.716 4.957 -11.876 1.00 0.00 C ATOM 4 O GLY A 1 4.393 4.725 -13.040 1.00 0.00 O ATOM 0 H1 GLY A 1 7.594 5.776 -12.918 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.041 6.016 -13.561 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.755 7.217 -12.597 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.747 4.828 -11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.953 6.344 -10.781 1.00 0.00 H new ATOM 8 N SER A 2 3.958 4.696 -10.821 1.00 0.00 N ATOM 9 CA SER A 2 2.643 4.096 -10.974 1.00 0.00 C ATOM 10 C SER A 2 1.561 5.172 -10.861 1.00 0.00 C ATOM 11 O SER A 2 1.282 5.664 -9.769 1.00 0.00 O ATOM 12 CB SER A 2 2.413 3.000 -9.931 1.00 0.00 C ATOM 13 OG SER A 2 3.021 1.768 -10.309 1.00 0.00 O ATOM 0 H SER A 2 4.229 4.889 -9.857 1.00 0.00 H new ATOM 0 HA SER A 2 2.589 3.637 -11.961 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.815 3.323 -8.971 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.342 2.849 -9.794 1.00 0.00 H new ATOM 0 HG SER A 2 2.853 1.095 -9.617 1.00 0.00 H new ATOM 19 N SER A 3 0.981 5.505 -12.005 1.00 0.00 N ATOM 20 CA SER A 3 -0.064 6.513 -12.048 1.00 0.00 C ATOM 21 C SER A 3 -1.039 6.207 -13.187 1.00 0.00 C ATOM 22 O SER A 3 -0.721 6.421 -14.355 1.00 0.00 O ATOM 23 CB SER A 3 0.528 7.914 -12.218 1.00 0.00 C ATOM 24 OG SER A 3 -0.466 8.875 -12.565 1.00 0.00 O ATOM 0 H SER A 3 1.215 5.094 -12.909 1.00 0.00 H new ATOM 0 HA SER A 3 -0.602 6.488 -11.100 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.017 8.216 -11.292 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.296 7.892 -12.991 1.00 0.00 H new ATOM 0 HG SER A 3 -0.049 9.756 -12.663 1.00 0.00 H new ATOM 30 N GLY A 4 -2.208 5.712 -12.805 1.00 0.00 N ATOM 31 CA GLY A 4 -3.231 5.374 -13.780 1.00 0.00 C ATOM 32 C GLY A 4 -4.515 6.167 -13.524 1.00 0.00 C ATOM 33 O GLY A 4 -4.684 7.268 -14.046 1.00 0.00 O ATOM 0 H GLY A 4 -2.469 5.537 -11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.864 5.583 -14.785 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.444 4.306 -13.734 1.00 0.00 H new ATOM 37 N SER A 5 -5.386 5.576 -12.720 1.00 0.00 N ATOM 38 CA SER A 5 -6.650 6.213 -12.388 1.00 0.00 C ATOM 39 C SER A 5 -7.070 5.833 -10.967 1.00 0.00 C ATOM 40 O SER A 5 -7.325 4.663 -10.683 1.00 0.00 O ATOM 41 CB SER A 5 -7.742 5.824 -13.386 1.00 0.00 C ATOM 42 OG SER A 5 -8.122 4.456 -13.256 1.00 0.00 O ATOM 0 H SER A 5 -5.242 4.663 -12.288 1.00 0.00 H new ATOM 0 HA SER A 5 -6.513 7.293 -12.443 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.615 6.459 -13.234 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.388 6.007 -14.400 1.00 0.00 H new ATOM 0 HG SER A 5 -7.906 4.141 -12.353 1.00 0.00 H new ATOM 48 N SER A 6 -7.128 6.843 -10.111 1.00 0.00 N ATOM 49 CA SER A 6 -7.513 6.629 -8.726 1.00 0.00 C ATOM 50 C SER A 6 -6.571 5.617 -8.071 1.00 0.00 C ATOM 51 O SER A 6 -5.809 4.938 -8.758 1.00 0.00 O ATOM 52 CB SER A 6 -8.962 6.147 -8.625 1.00 0.00 C ATOM 53 OG SER A 6 -9.494 6.328 -7.316 1.00 0.00 O ATOM 0 H SER A 6 -6.915 7.811 -10.350 1.00 0.00 H new ATOM 0 HA SER A 6 -7.437 7.580 -8.200 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.576 6.690 -9.344 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.013 5.092 -8.894 1.00 0.00 H new ATOM 0 HG SER A 6 -10.421 6.010 -7.293 1.00 0.00 H new ATOM 59 N GLY A 7 -6.652 5.549 -6.751 1.00 0.00 N ATOM 60 CA GLY A 7 -5.816 4.632 -5.995 1.00 0.00 C ATOM 61 C GLY A 7 -5.117 5.352 -4.840 1.00 0.00 C ATOM 62 O GLY A 7 -5.282 6.558 -4.665 1.00 0.00 O ATOM 0 H GLY A 7 -7.284 6.115 -6.185 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.425 3.817 -5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.071 4.186 -6.654 1.00 0.00 H new ATOM 66 N GLU A 8 -4.351 4.581 -4.082 1.00 0.00 N ATOM 67 CA GLU A 8 -3.627 5.130 -2.948 1.00 0.00 C ATOM 68 C GLU A 8 -2.153 4.725 -3.014 1.00 0.00 C ATOM 69 O GLU A 8 -1.803 3.589 -2.697 1.00 0.00 O ATOM 70 CB GLU A 8 -4.259 4.688 -1.627 1.00 0.00 C ATOM 71 CG GLU A 8 -4.936 5.865 -0.922 1.00 0.00 C ATOM 72 CD GLU A 8 -6.455 5.806 -1.094 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.887 5.560 -2.241 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.150 6.009 -0.075 1.00 0.00 O ATOM 0 H GLU A 8 -4.216 3.581 -4.231 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.688 6.217 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.991 3.902 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.494 4.262 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.686 5.851 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.557 6.803 -1.327 1.00 0.00 H new ATOM 81 N GLU A 9 -1.328 5.676 -3.428 1.00 0.00 N ATOM 82 CA GLU A 9 0.100 5.432 -3.539 1.00 0.00 C ATOM 83 C GLU A 9 0.720 5.267 -2.150 1.00 0.00 C ATOM 84 O GLU A 9 0.630 6.165 -1.315 1.00 0.00 O ATOM 85 CB GLU A 9 0.789 6.555 -4.316 1.00 0.00 C ATOM 86 CG GLU A 9 1.251 6.067 -5.691 1.00 0.00 C ATOM 87 CD GLU A 9 2.640 6.614 -6.028 1.00 0.00 C ATOM 88 OE1 GLU A 9 3.012 7.637 -5.413 1.00 0.00 O ATOM 89 OE2 GLU A 9 3.298 5.997 -6.893 1.00 0.00 O ATOM 0 H GLU A 9 -1.622 6.617 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 9 0.248 4.506 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.103 7.394 -4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.645 6.922 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.272 4.977 -5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.537 6.383 -6.452 1.00 0.00 H new ATOM 96 N PHE A 10 1.335 4.111 -1.946 1.00 0.00 N ATOM 97 CA PHE A 10 1.970 3.816 -0.672 1.00 0.00 C ATOM 98 C PHE A 10 3.369 3.234 -0.879 1.00 0.00 C ATOM 99 O PHE A 10 3.758 2.926 -2.005 1.00 0.00 O ATOM 100 CB PHE A 10 1.097 2.777 0.033 1.00 0.00 C ATOM 101 CG PHE A 10 -0.013 3.379 0.897 1.00 0.00 C ATOM 102 CD1 PHE A 10 -1.006 4.107 0.319 1.00 0.00 C ATOM 103 CD2 PHE A 10 -0.006 3.187 2.243 1.00 0.00 C ATOM 104 CE1 PHE A 10 -2.036 4.666 1.121 1.00 0.00 C ATOM 105 CE2 PHE A 10 -1.036 3.746 3.046 1.00 0.00 C ATOM 106 CZ PHE A 10 -2.029 4.473 2.468 1.00 0.00 C ATOM 0 H PHE A 10 1.407 3.368 -2.641 1.00 0.00 H new ATOM 0 HA PHE A 10 2.069 4.729 -0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.647 2.127 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.731 2.150 0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.011 4.260 -0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.783 2.609 2.702 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.824 5.244 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.030 3.594 4.115 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.813 4.897 3.078 1.00 0.00 H new ATOM 116 N VAL A 11 4.089 3.099 0.226 1.00 0.00 N ATOM 117 CA VAL A 11 5.437 2.559 0.180 1.00 0.00 C ATOM 118 C VAL A 11 5.548 1.394 1.165 1.00 0.00 C ATOM 119 O VAL A 11 5.044 1.472 2.284 1.00 0.00 O ATOM 120 CB VAL A 11 6.455 3.669 0.449 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.695 3.116 1.154 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.836 4.390 -0.846 1.00 0.00 C ATOM 0 H VAL A 11 3.764 3.354 1.158 1.00 0.00 H new ATOM 0 HA VAL A 11 5.658 2.168 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 11 5.989 4.397 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.403 3.925 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.404 2.670 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.163 2.358 0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.561 5.174 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.274 3.677 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.945 4.834 -1.291 1.00 0.00 H new ATOM 132 N ALA A 12 6.213 0.340 0.713 1.00 0.00 N ATOM 133 CA ALA A 12 6.397 -0.840 1.540 1.00 0.00 C ATOM 134 C ALA A 12 7.393 -0.523 2.657 1.00 0.00 C ATOM 135 O ALA A 12 8.491 -0.033 2.395 1.00 0.00 O ATOM 136 CB ALA A 12 6.853 -2.010 0.666 1.00 0.00 C ATOM 0 H ALA A 12 6.631 0.279 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 12 5.457 -1.131 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.991 -2.895 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.098 -2.213 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.796 -1.756 0.181 1.00 0.00 H new ATOM 142 N ILE A 13 6.975 -0.817 3.880 1.00 0.00 N ATOM 143 CA ILE A 13 7.818 -0.570 5.038 1.00 0.00 C ATOM 144 C ILE A 13 8.784 -1.741 5.219 1.00 0.00 C ATOM 145 O ILE A 13 9.560 -1.769 6.174 1.00 0.00 O ATOM 146 CB ILE A 13 6.960 -0.283 6.272 1.00 0.00 C ATOM 147 CG1 ILE A 13 5.927 -1.390 6.491 1.00 0.00 C ATOM 148 CG2 ILE A 13 6.310 1.099 6.180 1.00 0.00 C ATOM 149 CD1 ILE A 13 5.711 -1.652 7.983 1.00 0.00 C ATOM 0 H ILE A 13 6.064 -1.224 4.094 1.00 0.00 H new ATOM 0 HA ILE A 13 8.425 0.322 4.885 1.00 0.00 H new ATOM 0 HB ILE A 13 7.611 -0.273 7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.982 -1.107 6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.261 -2.305 6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.706 1.277 7.070 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.085 1.862 6.109 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.675 1.144 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.972 -2.443 8.110 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.653 -1.958 8.439 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.354 -0.741 8.464 1.00 0.00 H new ATOM 161 N ALA A 14 8.707 -2.681 4.288 1.00 0.00 N ATOM 162 CA ALA A 14 9.566 -3.852 4.333 1.00 0.00 C ATOM 163 C ALA A 14 9.416 -4.639 3.030 1.00 0.00 C ATOM 164 O ALA A 14 8.444 -4.457 2.299 1.00 0.00 O ATOM 165 CB ALA A 14 9.221 -4.691 5.565 1.00 0.00 C ATOM 0 H ALA A 14 8.063 -2.655 3.498 1.00 0.00 H new ATOM 0 HA ALA A 14 10.612 -3.558 4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.865 -5.570 5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.372 -4.095 6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.179 -5.007 5.510 1.00 0.00 H new ATOM 171 N ASP A 15 10.393 -5.498 2.779 1.00 0.00 N ATOM 172 CA ASP A 15 10.382 -6.314 1.577 1.00 0.00 C ATOM 173 C ASP A 15 9.539 -7.567 1.824 1.00 0.00 C ATOM 174 O ASP A 15 9.934 -8.445 2.589 1.00 0.00 O ATOM 175 CB ASP A 15 11.796 -6.762 1.202 1.00 0.00 C ATOM 176 CG ASP A 15 12.909 -5.792 1.602 1.00 0.00 C ATOM 177 OD1 ASP A 15 12.569 -4.621 1.876 1.00 0.00 O ATOM 178 OD2 ASP A 15 14.074 -6.243 1.624 1.00 0.00 O ATOM 0 H ASP A 15 11.198 -5.647 3.388 1.00 0.00 H new ATOM 0 HA ASP A 15 9.967 -5.715 0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.991 -7.727 1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.838 -6.915 0.124 1.00 0.00 H new ATOM 183 N TYR A 16 8.392 -7.610 1.161 1.00 0.00 N ATOM 184 CA TYR A 16 7.490 -8.741 1.299 1.00 0.00 C ATOM 185 C TYR A 16 7.525 -9.625 0.051 1.00 0.00 C ATOM 186 O TYR A 16 7.700 -9.130 -1.061 1.00 0.00 O ATOM 187 CB TYR A 16 6.088 -8.146 1.449 1.00 0.00 C ATOM 188 CG TYR A 16 4.962 -9.179 1.370 1.00 0.00 C ATOM 189 CD1 TYR A 16 5.100 -10.399 2.001 1.00 0.00 C ATOM 190 CD2 TYR A 16 3.809 -8.890 0.669 1.00 0.00 C ATOM 191 CE1 TYR A 16 4.040 -11.371 1.926 1.00 0.00 C ATOM 192 CE2 TYR A 16 2.750 -9.862 0.594 1.00 0.00 C ATOM 193 CZ TYR A 16 2.917 -11.055 1.227 1.00 0.00 C ATOM 194 OH TYR A 16 1.916 -11.973 1.157 1.00 0.00 O ATOM 0 H TYR A 16 8.067 -6.880 0.527 1.00 0.00 H new ATOM 0 HA TYR A 16 7.776 -9.358 2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.025 -7.627 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.937 -7.398 0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.002 -10.624 2.550 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.701 -7.935 0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.135 -12.330 2.414 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.843 -9.649 0.048 1.00 0.00 H new ATOM 0 HH TYR A 16 1.150 -11.662 1.683 1.00 0.00 H new ATOM 204 N ALA A 17 7.355 -10.920 0.278 1.00 0.00 N ATOM 205 CA ALA A 17 7.365 -11.878 -0.814 1.00 0.00 C ATOM 206 C ALA A 17 6.126 -12.770 -0.715 1.00 0.00 C ATOM 207 O ALA A 17 6.080 -13.686 0.105 1.00 0.00 O ATOM 208 CB ALA A 17 8.666 -12.682 -0.777 1.00 0.00 C ATOM 0 H ALA A 17 7.210 -11.327 1.202 1.00 0.00 H new ATOM 0 HA ALA A 17 7.327 -11.365 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.673 -13.401 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.515 -12.006 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.739 -13.213 0.172 1.00 0.00 H new ATOM 214 N ALA A 18 5.152 -12.471 -1.562 1.00 0.00 N ATOM 215 CA ALA A 18 3.916 -13.235 -1.581 1.00 0.00 C ATOM 216 C ALA A 18 4.242 -14.722 -1.734 1.00 0.00 C ATOM 217 O ALA A 18 5.203 -15.084 -2.411 1.00 0.00 O ATOM 218 CB ALA A 18 3.012 -12.717 -2.702 1.00 0.00 C ATOM 0 H ALA A 18 5.194 -11.710 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 18 3.375 -13.112 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.085 -13.290 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.785 -11.665 -2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.521 -12.827 -3.660 1.00 0.00 H new ATOM 224 N THR A 19 3.423 -15.544 -1.093 1.00 0.00 N ATOM 225 CA THR A 19 3.612 -16.983 -1.150 1.00 0.00 C ATOM 226 C THR A 19 2.703 -17.599 -2.215 1.00 0.00 C ATOM 227 O THR A 19 3.104 -18.525 -2.918 1.00 0.00 O ATOM 228 CB THR A 19 3.374 -17.547 0.252 1.00 0.00 C ATOM 229 OG1 THR A 19 4.685 -17.754 0.770 1.00 0.00 O ATOM 230 CG2 THR A 19 2.759 -18.947 0.223 1.00 0.00 C ATOM 0 H THR A 19 2.627 -15.240 -0.532 1.00 0.00 H new ATOM 0 HA THR A 19 4.629 -17.236 -1.450 1.00 0.00 H new ATOM 0 HB THR A 19 2.720 -16.875 0.807 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.624 -18.117 1.678 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.611 -19.301 1.243 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.799 -18.912 -0.292 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.428 -19.628 -0.303 1.00 0.00 H new ATOM 238 N ASP A 20 1.496 -17.060 -2.301 1.00 0.00 N ATOM 239 CA ASP A 20 0.527 -17.545 -3.269 1.00 0.00 C ATOM 240 C ASP A 20 0.428 -16.550 -4.427 1.00 0.00 C ATOM 241 O ASP A 20 1.169 -15.570 -4.474 1.00 0.00 O ATOM 242 CB ASP A 20 -0.861 -17.677 -2.639 1.00 0.00 C ATOM 243 CG ASP A 20 -1.272 -19.104 -2.272 1.00 0.00 C ATOM 244 OD1 ASP A 20 -0.989 -20.004 -3.092 1.00 0.00 O ATOM 245 OD2 ASP A 20 -1.860 -19.263 -1.180 1.00 0.00 O ATOM 0 H ASP A 20 1.167 -16.292 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 20 0.859 -18.523 -3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.895 -17.063 -1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.598 -17.270 -3.331 1.00 0.00 H new ATOM 250 N GLU A 21 -0.495 -16.837 -5.334 1.00 0.00 N ATOM 251 CA GLU A 21 -0.700 -15.981 -6.489 1.00 0.00 C ATOM 252 C GLU A 21 -1.845 -15.000 -6.226 1.00 0.00 C ATOM 253 O GLU A 21 -2.402 -14.425 -7.160 1.00 0.00 O ATOM 254 CB GLU A 21 -0.967 -16.811 -7.747 1.00 0.00 C ATOM 255 CG GLU A 21 -2.384 -17.388 -7.732 1.00 0.00 C ATOM 256 CD GLU A 21 -2.496 -18.589 -8.674 1.00 0.00 C ATOM 257 OE1 GLU A 21 -2.659 -18.344 -9.889 1.00 0.00 O ATOM 258 OE2 GLU A 21 -2.418 -19.724 -8.157 1.00 0.00 O ATOM 0 H GLU A 21 -1.109 -17.651 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 21 0.212 -15.408 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.833 -16.190 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.241 -17.621 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.647 -17.690 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.097 -16.619 -8.030 1.00 0.00 H new ATOM 265 N THR A 22 -2.162 -14.839 -4.950 1.00 0.00 N ATOM 266 CA THR A 22 -3.231 -13.939 -4.552 1.00 0.00 C ATOM 267 C THR A 22 -2.654 -12.691 -3.881 1.00 0.00 C ATOM 268 O THR A 22 -3.398 -11.800 -3.473 1.00 0.00 O ATOM 269 CB THR A 22 -4.198 -14.717 -3.658 1.00 0.00 C ATOM 270 OG1 THR A 22 -3.472 -14.910 -2.447 1.00 0.00 O ATOM 271 CG2 THR A 22 -4.453 -16.137 -4.169 1.00 0.00 C ATOM 0 H THR A 22 -1.697 -15.317 -4.178 1.00 0.00 H new ATOM 0 HA THR A 22 -3.786 -13.578 -5.418 1.00 0.00 H new ATOM 0 HB THR A 22 -5.144 -14.179 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.026 -15.406 -1.809 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.146 -16.646 -3.499 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.883 -16.092 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.512 -16.686 -4.203 1.00 0.00 H new ATOM 279 N GLN A 23 -1.332 -12.666 -3.786 1.00 0.00 N ATOM 280 CA GLN A 23 -0.647 -11.542 -3.171 1.00 0.00 C ATOM 281 C GLN A 23 0.485 -11.051 -4.076 1.00 0.00 C ATOM 282 O GLN A 23 1.017 -11.815 -4.880 1.00 0.00 O ATOM 283 CB GLN A 23 -0.118 -11.914 -1.785 1.00 0.00 C ATOM 284 CG GLN A 23 -1.262 -12.028 -0.774 1.00 0.00 C ATOM 285 CD GLN A 23 -0.733 -12.394 0.614 1.00 0.00 C ATOM 286 OE1 GLN A 23 -0.494 -11.547 1.459 1.00 0.00 O ATOM 287 NE2 GLN A 23 -0.563 -13.700 0.801 1.00 0.00 N ATOM 0 H GLN A 23 -0.718 -13.406 -4.125 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.363 -10.730 -3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.420 -12.860 -1.839 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.595 -11.161 -1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.803 -11.083 -0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.973 -12.784 -1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.783 -14.355 0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.213 -14.046 1.694 1.00 0.00 H new ATOM 296 N LEU A 24 0.820 -9.780 -3.914 1.00 0.00 N ATOM 297 CA LEU A 24 1.879 -9.178 -4.706 1.00 0.00 C ATOM 298 C LEU A 24 3.156 -9.099 -3.866 1.00 0.00 C ATOM 299 O LEU A 24 3.095 -9.082 -2.638 1.00 0.00 O ATOM 300 CB LEU A 24 1.428 -7.828 -5.267 1.00 0.00 C ATOM 301 CG LEU A 24 0.239 -7.865 -6.229 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.257 -6.452 -6.543 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.585 -8.647 -7.498 1.00 0.00 C ATOM 0 H LEU A 24 0.377 -9.150 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 24 2.105 -9.798 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.173 -7.176 -4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.273 -7.371 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.580 -8.392 -5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.102 -6.507 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.569 -5.963 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.547 -5.878 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.277 -8.658 -8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.427 -8.171 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.852 -9.670 -7.233 1.00 0.00 H new ATOM 315 N SER A 25 4.282 -9.054 -4.563 1.00 0.00 N ATOM 316 CA SER A 25 5.571 -8.977 -3.897 1.00 0.00 C ATOM 317 C SER A 25 6.269 -7.664 -4.256 1.00 0.00 C ATOM 318 O SER A 25 6.312 -7.279 -5.424 1.00 0.00 O ATOM 319 CB SER A 25 6.456 -10.168 -4.271 1.00 0.00 C ATOM 320 OG SER A 25 6.615 -10.293 -5.682 1.00 0.00 O ATOM 0 H SER A 25 4.328 -9.069 -5.582 1.00 0.00 H new ATOM 0 HA SER A 25 5.402 -9.008 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.435 -10.053 -3.805 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.019 -11.084 -3.873 1.00 0.00 H new ATOM 0 HG SER A 25 7.188 -11.063 -5.880 1.00 0.00 H new ATOM 326 N PHE A 26 6.798 -7.012 -3.231 1.00 0.00 N ATOM 327 CA PHE A 26 7.491 -5.750 -3.424 1.00 0.00 C ATOM 328 C PHE A 26 8.658 -5.610 -2.445 1.00 0.00 C ATOM 329 O PHE A 26 8.838 -6.448 -1.564 1.00 0.00 O ATOM 330 CB PHE A 26 6.477 -4.636 -3.153 1.00 0.00 C ATOM 331 CG PHE A 26 5.472 -4.966 -2.048 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.836 -4.852 -0.742 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.215 -5.372 -2.370 1.00 0.00 C ATOM 334 CE1 PHE A 26 4.904 -5.158 0.284 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.282 -5.677 -1.344 1.00 0.00 C ATOM 336 CZ PHE A 26 3.646 -5.564 -0.039 1.00 0.00 C ATOM 0 H PHE A 26 6.760 -7.334 -2.264 1.00 0.00 H new ATOM 0 HA PHE A 26 7.892 -5.697 -4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.015 -3.727 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.933 -4.422 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.834 -4.529 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.926 -5.463 -3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.193 -5.069 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.283 -5.999 -1.600 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.937 -5.796 0.741 1.00 0.00 H new ATOM 346 N LEU A 27 9.422 -4.544 -2.634 1.00 0.00 N ATOM 347 CA LEU A 27 10.568 -4.283 -1.778 1.00 0.00 C ATOM 348 C LEU A 27 10.352 -2.965 -1.031 1.00 0.00 C ATOM 349 O LEU A 27 9.751 -2.035 -1.567 1.00 0.00 O ATOM 350 CB LEU A 27 11.864 -4.325 -2.590 1.00 0.00 C ATOM 351 CG LEU A 27 12.864 -3.200 -2.315 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.587 -3.422 -0.986 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.842 -3.040 -3.480 1.00 0.00 C ATOM 0 H LEU A 27 9.270 -3.851 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 27 10.666 -5.064 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.358 -5.278 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.607 -4.305 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 27 12.311 -2.265 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.292 -2.608 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.859 -3.448 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.127 -4.368 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.542 -2.234 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.393 -3.970 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.289 -2.802 -4.389 1.00 0.00 H new ATOM 365 N ARG A 28 10.853 -2.928 0.194 1.00 0.00 N ATOM 366 CA ARG A 28 10.723 -1.739 1.020 1.00 0.00 C ATOM 367 C ARG A 28 11.021 -0.485 0.196 1.00 0.00 C ATOM 368 O ARG A 28 12.163 -0.251 -0.194 1.00 0.00 O ATOM 369 CB ARG A 28 11.675 -1.793 2.217 1.00 0.00 C ATOM 370 CG ARG A 28 11.548 -0.532 3.075 1.00 0.00 C ATOM 371 CD ARG A 28 12.261 -0.709 4.417 1.00 0.00 C ATOM 372 NE ARG A 28 12.117 0.518 5.232 1.00 0.00 N ATOM 373 CZ ARG A 28 12.766 0.735 6.384 1.00 0.00 C ATOM 374 NH1 ARG A 28 13.608 -0.191 6.864 1.00 0.00 N ATOM 375 NH2 ARG A 28 12.574 1.878 7.056 1.00 0.00 N ATOM 0 H ARG A 28 11.350 -3.702 0.635 1.00 0.00 H new ATOM 0 HA ARG A 28 9.697 -1.701 1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.455 -2.673 2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.702 -1.896 1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.973 0.319 2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.495 -0.308 3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.842 -1.562 4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.317 -0.924 4.252 1.00 0.00 H new ATOM 0 HE ARG A 28 11.484 1.244 4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.755 -1.061 6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.102 -0.026 7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.934 2.583 6.691 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.068 2.043 7.933 1.00 0.00 H new ATOM 389 N GLY A 29 9.972 0.289 -0.045 1.00 0.00 N ATOM 390 CA GLY A 29 10.107 1.513 -0.816 1.00 0.00 C ATOM 391 C GLY A 29 9.232 1.470 -2.070 1.00 0.00 C ATOM 392 O GLY A 29 8.682 2.490 -2.482 1.00 0.00 O ATOM 0 H GLY A 29 9.026 0.092 0.280 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.825 2.368 -0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.150 1.655 -1.100 1.00 0.00 H new ATOM 396 N GLU A 30 9.131 0.280 -2.642 1.00 0.00 N ATOM 397 CA GLU A 30 8.332 0.091 -3.841 1.00 0.00 C ATOM 398 C GLU A 30 6.994 0.820 -3.708 1.00 0.00 C ATOM 399 O GLU A 30 6.310 0.689 -2.694 1.00 0.00 O ATOM 400 CB GLU A 30 8.120 -1.397 -4.129 1.00 0.00 C ATOM 401 CG GLU A 30 9.039 -1.873 -5.256 1.00 0.00 C ATOM 402 CD GLU A 30 8.240 -2.166 -6.528 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.799 -3.327 -6.667 1.00 0.00 O ATOM 404 OE2 GLU A 30 8.089 -1.222 -7.333 1.00 0.00 O ATOM 0 H GLU A 30 9.589 -0.564 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 30 8.873 0.518 -4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.314 -1.977 -3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.080 -1.573 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.792 -1.112 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.571 -2.771 -4.942 1.00 0.00 H new ATOM 411 N LYS A 31 6.661 1.572 -4.746 1.00 0.00 N ATOM 412 CA LYS A 31 5.416 2.323 -4.758 1.00 0.00 C ATOM 413 C LYS A 31 4.252 1.368 -5.030 1.00 0.00 C ATOM 414 O LYS A 31 4.013 0.985 -6.174 1.00 0.00 O ATOM 415 CB LYS A 31 5.501 3.486 -5.747 1.00 0.00 C ATOM 416 CG LYS A 31 6.207 4.690 -5.120 1.00 0.00 C ATOM 417 CD LYS A 31 7.724 4.589 -5.294 1.00 0.00 C ATOM 418 CE LYS A 31 8.456 5.225 -4.111 1.00 0.00 C ATOM 419 NZ LYS A 31 9.921 5.139 -4.301 1.00 0.00 N ATOM 0 H LYS A 31 7.231 1.678 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 31 5.236 2.777 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.039 3.169 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.498 3.773 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.845 5.609 -5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.962 4.748 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.014 3.542 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.021 5.084 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.157 6.268 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.173 4.721 -3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.403 5.575 -3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.203 4.141 -4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.188 5.640 -5.172 1.00 0.00 H new ATOM 433 N ILE A 32 3.560 1.010 -3.959 1.00 0.00 N ATOM 434 CA ILE A 32 2.427 0.106 -4.068 1.00 0.00 C ATOM 435 C ILE A 32 1.139 0.923 -4.190 1.00 0.00 C ATOM 436 O ILE A 32 0.867 1.789 -3.360 1.00 0.00 O ATOM 437 CB ILE A 32 2.417 -0.885 -2.902 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.827 -1.403 -2.612 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.429 -2.024 -3.159 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.267 -2.417 -3.670 1.00 0.00 C ATOM 0 H ILE A 32 3.762 1.329 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 32 2.509 -0.500 -4.970 1.00 0.00 H new ATOM 0 HB ILE A 32 2.077 -0.360 -2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.528 -0.568 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.852 -1.867 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.442 -2.714 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.426 -1.615 -3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.715 -2.556 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.273 -2.769 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.578 -3.262 -3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.264 -1.943 -4.652 1.00 0.00 H new ATOM 452 N LEU A 33 0.380 0.619 -5.233 1.00 0.00 N ATOM 453 CA LEU A 33 -0.873 1.314 -5.475 1.00 0.00 C ATOM 454 C LEU A 33 -2.000 0.600 -4.728 1.00 0.00 C ATOM 455 O LEU A 33 -2.291 -0.564 -5.002 1.00 0.00 O ATOM 456 CB LEU A 33 -1.124 1.457 -6.978 1.00 0.00 C ATOM 457 CG LEU A 33 -1.552 2.846 -7.457 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.867 3.272 -6.800 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.440 3.871 -7.231 1.00 0.00 C ATOM 0 H LEU A 33 0.609 -0.099 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.827 2.331 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.213 1.177 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.894 0.741 -7.268 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.730 2.796 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.148 4.262 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.650 2.558 -7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.741 3.299 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.770 4.849 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.206 3.925 -6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.450 3.570 -7.784 1.00 0.00 H new ATOM 471 N ILE A 34 -2.605 1.326 -3.799 1.00 0.00 N ATOM 472 CA ILE A 34 -3.694 0.775 -3.011 1.00 0.00 C ATOM 473 C ILE A 34 -5.025 1.102 -3.690 1.00 0.00 C ATOM 474 O ILE A 34 -5.700 2.059 -3.315 1.00 0.00 O ATOM 475 CB ILE A 34 -3.607 1.263 -1.563 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.226 0.977 -0.970 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.730 0.664 -0.714 1.00 0.00 C ATOM 478 CD1 ILE A 34 -1.817 -0.478 -1.208 1.00 0.00 C ATOM 0 H ILE A 34 -2.362 2.291 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.618 -0.311 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.742 2.345 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.489 1.643 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.236 1.185 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.645 1.027 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.695 0.961 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.651 -0.423 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.832 -0.654 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.543 -1.142 -0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.785 -0.676 -2.279 1.00 0.00 H new ATOM 490 N LEU A 35 -5.364 0.287 -4.678 1.00 0.00 N ATOM 491 CA LEU A 35 -6.603 0.476 -5.414 1.00 0.00 C ATOM 492 C LEU A 35 -7.753 0.676 -4.425 1.00 0.00 C ATOM 493 O LEU A 35 -8.305 1.770 -4.322 1.00 0.00 O ATOM 494 CB LEU A 35 -6.827 -0.678 -6.393 1.00 0.00 C ATOM 495 CG LEU A 35 -6.245 -0.491 -7.796 1.00 0.00 C ATOM 496 CD1 LEU A 35 -4.763 -0.118 -7.729 1.00 0.00 C ATOM 497 CD2 LEU A 35 -6.486 -1.730 -8.659 1.00 0.00 C ATOM 0 H LEU A 35 -4.802 -0.506 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.548 1.376 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.399 -1.583 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.900 -0.846 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.765 0.340 -8.274 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.374 0.009 -8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.647 0.814 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.211 -0.911 -7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.063 -1.571 -9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.010 -2.594 -8.196 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.558 -1.910 -8.747 1.00 0.00 H new ATOM 509 N ARG A 36 -8.080 -0.399 -3.722 1.00 0.00 N ATOM 510 CA ARG A 36 -9.154 -0.355 -2.745 1.00 0.00 C ATOM 511 C ARG A 36 -8.731 -1.070 -1.459 1.00 0.00 C ATOM 512 O ARG A 36 -7.676 -1.700 -1.413 1.00 0.00 O ATOM 513 CB ARG A 36 -10.423 -1.012 -3.291 1.00 0.00 C ATOM 514 CG ARG A 36 -11.664 -0.508 -2.552 1.00 0.00 C ATOM 515 CD ARG A 36 -12.886 -0.504 -3.472 1.00 0.00 C ATOM 516 NE ARG A 36 -13.720 0.689 -3.201 1.00 0.00 N ATOM 517 CZ ARG A 36 -14.833 0.997 -3.880 1.00 0.00 C ATOM 518 NH1 ARG A 36 -15.254 0.202 -4.873 1.00 0.00 N ATOM 519 NH2 ARG A 36 -15.526 2.100 -3.565 1.00 0.00 N ATOM 0 H ARG A 36 -7.620 -1.305 -3.810 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.364 0.693 -2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.518 -0.798 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.349 -2.095 -3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.858 -1.141 -1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.484 0.499 -2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.567 -0.506 -4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.471 -1.410 -3.317 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.429 1.315 -2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.727 -0.638 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.101 0.437 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.206 2.705 -2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.373 2.335 -4.082 1.00 0.00 H new ATOM 533 N GLN A 37 -9.577 -0.948 -0.447 1.00 0.00 N ATOM 534 CA GLN A 37 -9.305 -1.575 0.835 1.00 0.00 C ATOM 535 C GLN A 37 -10.513 -2.394 1.293 1.00 0.00 C ATOM 536 O GLN A 37 -11.208 -2.010 2.233 1.00 0.00 O ATOM 537 CB GLN A 37 -8.921 -0.530 1.885 1.00 0.00 C ATOM 538 CG GLN A 37 -7.578 0.120 1.546 1.00 0.00 C ATOM 539 CD GLN A 37 -7.614 1.626 1.816 1.00 0.00 C ATOM 540 OE1 GLN A 37 -8.664 2.240 1.913 1.00 0.00 O ATOM 541 NE2 GLN A 37 -6.413 2.184 1.931 1.00 0.00 N ATOM 0 H GLN A 37 -10.451 -0.424 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.458 -2.250 0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.695 0.235 1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.864 -1.000 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.787 -0.340 2.138 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.337 -0.060 0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.574 1.612 1.839 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.331 3.185 2.111 1.00 0.00 H new ATOM 550 N THR A 38 -10.726 -3.508 0.609 1.00 0.00 N ATOM 551 CA THR A 38 -11.839 -4.385 0.934 1.00 0.00 C ATOM 552 C THR A 38 -12.033 -4.461 2.449 1.00 0.00 C ATOM 553 O THR A 38 -13.158 -4.597 2.928 1.00 0.00 O ATOM 554 CB THR A 38 -11.573 -5.745 0.286 1.00 0.00 C ATOM 555 OG1 THR A 38 -11.826 -5.526 -1.099 1.00 0.00 O ATOM 556 CG2 THR A 38 -12.607 -6.798 0.691 1.00 0.00 C ATOM 0 H THR A 38 -10.147 -3.824 -0.169 1.00 0.00 H new ATOM 0 HA THR A 38 -12.777 -3.998 0.537 1.00 0.00 H new ATOM 0 HB THR A 38 -10.576 -6.089 0.561 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.518 -6.301 -1.614 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.372 -7.744 0.204 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.586 -6.932 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.600 -6.469 0.385 1.00 0.00 H new ATOM 564 N THR A 39 -10.920 -4.369 3.162 1.00 0.00 N ATOM 565 CA THR A 39 -10.953 -4.426 4.613 1.00 0.00 C ATOM 566 C THR A 39 -9.824 -3.581 5.206 1.00 0.00 C ATOM 567 O THR A 39 -9.087 -2.922 4.474 1.00 0.00 O ATOM 568 CB THR A 39 -10.895 -5.897 5.030 1.00 0.00 C ATOM 569 OG1 THR A 39 -9.666 -6.365 4.482 1.00 0.00 O ATOM 570 CG2 THR A 39 -11.961 -6.745 4.334 1.00 0.00 C ATOM 0 H THR A 39 -9.989 -4.255 2.761 1.00 0.00 H new ATOM 0 HA THR A 39 -11.876 -3.999 5.005 1.00 0.00 H new ATOM 0 HB THR A 39 -11.019 -5.973 6.110 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.256 -5.655 3.944 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.876 -7.780 4.665 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.951 -6.364 4.586 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.817 -6.696 3.255 1.00 0.00 H new ATOM 578 N ALA A 40 -9.723 -3.629 6.526 1.00 0.00 N ATOM 579 CA ALA A 40 -8.696 -2.876 7.226 1.00 0.00 C ATOM 580 C ALA A 40 -7.524 -3.804 7.554 1.00 0.00 C ATOM 581 O ALA A 40 -6.612 -3.423 8.287 1.00 0.00 O ATOM 582 CB ALA A 40 -9.297 -2.231 8.476 1.00 0.00 C ATOM 0 H ALA A 40 -10.336 -4.178 7.129 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.314 -2.072 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.526 -1.666 9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.105 -1.559 8.186 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.689 -3.007 9.133 1.00 0.00 H new ATOM 588 N ASP A 41 -7.587 -5.004 6.996 1.00 0.00 N ATOM 589 CA ASP A 41 -6.543 -5.989 7.221 1.00 0.00 C ATOM 590 C ASP A 41 -5.899 -6.357 5.883 1.00 0.00 C ATOM 591 O ASP A 41 -4.681 -6.513 5.797 1.00 0.00 O ATOM 592 CB ASP A 41 -7.115 -7.267 7.838 1.00 0.00 C ATOM 593 CG ASP A 41 -7.182 -7.273 9.366 1.00 0.00 C ATOM 594 OD1 ASP A 41 -6.238 -6.727 9.978 1.00 0.00 O ATOM 595 OD2 ASP A 41 -8.175 -7.824 9.888 1.00 0.00 O ATOM 0 H ASP A 41 -8.345 -5.316 6.389 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.812 -5.556 7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.119 -7.424 7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.509 -8.112 7.513 1.00 0.00 H new ATOM 600 N TRP A 42 -6.744 -6.486 4.871 1.00 0.00 N ATOM 601 CA TRP A 42 -6.273 -6.833 3.541 1.00 0.00 C ATOM 602 C TRP A 42 -6.683 -5.710 2.586 1.00 0.00 C ATOM 603 O TRP A 42 -7.845 -5.309 2.556 1.00 0.00 O ATOM 604 CB TRP A 42 -6.800 -8.204 3.113 1.00 0.00 C ATOM 605 CG TRP A 42 -6.217 -9.372 3.910 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.612 -9.835 5.104 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.109 -10.211 3.520 1.00 0.00 C ATOM 608 NE1 TRP A 42 -5.844 -10.907 5.510 1.00 0.00 N ATOM 609 CE2 TRP A 42 -4.901 -11.143 4.516 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.310 -10.184 2.364 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -3.897 -12.117 4.457 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.312 -11.164 2.320 1.00 0.00 C ATOM 613 CH2 TRP A 42 -3.089 -12.109 3.314 1.00 0.00 C ATOM 0 H TRP A 42 -7.753 -6.356 4.945 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.187 -6.922 3.528 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.885 -8.213 3.216 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.579 -8.353 2.056 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.429 -9.421 5.677 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -5.949 -11.430 6.379 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.455 -9.464 1.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.754 -12.836 5.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.670 -11.187 1.452 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.296 -12.834 3.205 1.00 0.00 H new ATOM 624 N TRP A 43 -5.705 -5.233 1.829 1.00 0.00 N ATOM 625 CA TRP A 43 -5.950 -4.164 0.876 1.00 0.00 C ATOM 626 C TRP A 43 -5.782 -4.739 -0.532 1.00 0.00 C ATOM 627 O TRP A 43 -5.051 -5.709 -0.727 1.00 0.00 O ATOM 628 CB TRP A 43 -5.034 -2.968 1.147 1.00 0.00 C ATOM 629 CG TRP A 43 -5.345 -2.229 2.450 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.298 -2.508 3.349 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.656 -1.071 2.966 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.275 -1.618 4.403 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.245 -0.716 4.163 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.572 -0.347 2.440 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -4.818 0.372 4.934 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.158 0.738 3.222 1.00 0.00 C ATOM 637 CH2 TRP A 43 -3.740 1.108 4.429 1.00 0.00 C ATOM 0 H TRP A 43 -4.742 -5.567 1.857 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.966 -3.782 0.977 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.001 -3.314 1.175 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.113 -2.267 0.316 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.997 -3.327 3.260 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.899 -1.621 5.210 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.096 -0.607 1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.295 0.629 5.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.329 1.329 2.862 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.362 1.960 4.975 1.00 0.00 H new ATOM 648 N TRP A 44 -6.471 -4.116 -1.477 1.00 0.00 N ATOM 649 CA TRP A 44 -6.407 -4.553 -2.861 1.00 0.00 C ATOM 650 C TRP A 44 -5.439 -3.631 -3.604 1.00 0.00 C ATOM 651 O TRP A 44 -5.774 -2.487 -3.907 1.00 0.00 O ATOM 652 CB TRP A 44 -7.801 -4.588 -3.490 1.00 0.00 C ATOM 653 CG TRP A 44 -7.809 -4.996 -4.964 1.00 0.00 C ATOM 654 CD1 TRP A 44 -7.834 -4.199 -6.041 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.791 -6.342 -5.483 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.834 -4.930 -7.211 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.806 -6.275 -6.862 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.763 -7.577 -4.811 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.795 -7.407 -7.685 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -7.752 -8.699 -5.648 1.00 0.00 C ATOM 661 CH2 TRP A 44 -7.767 -8.648 -7.037 1.00 0.00 C ATOM 0 H TRP A 44 -7.076 -3.312 -1.311 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.033 -5.575 -2.926 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.425 -5.283 -2.928 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.256 -3.602 -3.394 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.852 -3.120 -5.998 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.851 -4.553 -8.158 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.751 -7.654 -3.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.807 -7.328 -8.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -7.730 -9.673 -5.182 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.757 -9.561 -7.614 1.00 0.00 H new ATOM 672 N GLY A 45 -4.257 -4.163 -3.877 1.00 0.00 N ATOM 673 CA GLY A 45 -3.237 -3.402 -4.579 1.00 0.00 C ATOM 674 C GLY A 45 -3.156 -3.820 -6.049 1.00 0.00 C ATOM 675 O GLY A 45 -3.775 -4.803 -6.454 1.00 0.00 O ATOM 0 H GLY A 45 -3.982 -5.112 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.462 -2.338 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.270 -3.555 -4.100 1.00 0.00 H new ATOM 679 N GLU A 46 -2.386 -3.053 -6.807 1.00 0.00 N ATOM 680 CA GLU A 46 -2.216 -3.332 -8.223 1.00 0.00 C ATOM 681 C GLU A 46 -0.758 -3.114 -8.635 1.00 0.00 C ATOM 682 O GLU A 46 -0.226 -2.014 -8.490 1.00 0.00 O ATOM 683 CB GLU A 46 -3.159 -2.474 -9.068 1.00 0.00 C ATOM 684 CG GLU A 46 -2.888 -2.669 -10.561 1.00 0.00 C ATOM 685 CD GLU A 46 -3.495 -1.529 -11.383 1.00 0.00 C ATOM 686 OE1 GLU A 46 -2.781 -0.519 -11.565 1.00 0.00 O ATOM 687 OE2 GLU A 46 -4.658 -1.694 -11.809 1.00 0.00 O ATOM 0 H GLU A 46 -1.873 -2.239 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.471 -4.377 -8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.193 -2.737 -8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.033 -1.423 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.813 -2.716 -10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.306 -3.621 -10.889 1.00 0.00 H new ATOM 694 N ARG A 47 -0.154 -4.179 -9.141 1.00 0.00 N ATOM 695 CA ARG A 47 1.231 -4.118 -9.575 1.00 0.00 C ATOM 696 C ARG A 47 1.307 -3.742 -11.057 1.00 0.00 C ATOM 697 O ARG A 47 0.287 -3.457 -11.682 1.00 0.00 O ATOM 698 CB ARG A 47 1.936 -5.459 -9.360 1.00 0.00 C ATOM 699 CG ARG A 47 2.644 -5.494 -8.004 1.00 0.00 C ATOM 700 CD ARG A 47 4.134 -5.178 -8.156 1.00 0.00 C ATOM 701 NE ARG A 47 4.765 -6.146 -9.079 1.00 0.00 N ATOM 702 CZ ARG A 47 5.131 -7.387 -8.732 1.00 0.00 C ATOM 703 NH1 ARG A 47 4.931 -7.819 -7.479 1.00 0.00 N ATOM 704 NH2 ARG A 47 5.698 -8.197 -9.637 1.00 0.00 N ATOM 0 H ARG A 47 -0.599 -5.089 -9.260 1.00 0.00 H new ATOM 0 HA ARG A 47 1.732 -3.357 -8.977 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.209 -6.269 -9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.661 -5.625 -10.157 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.182 -4.773 -7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.521 -6.478 -7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.262 -4.164 -8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.624 -5.218 -7.183 1.00 0.00 H new ATOM 0 HE ARG A 47 4.932 -5.850 -10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.500 -7.203 -6.790 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.210 -8.764 -7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.851 -7.869 -10.590 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.977 -9.142 -9.372 1.00 0.00 H new ATOM 718 N ALA A 48 2.526 -3.754 -11.576 1.00 0.00 N ATOM 719 CA ALA A 48 2.749 -3.417 -12.972 1.00 0.00 C ATOM 720 C ALA A 48 1.989 -4.407 -13.857 1.00 0.00 C ATOM 721 O ALA A 48 2.418 -5.547 -14.029 1.00 0.00 O ATOM 722 CB ALA A 48 4.251 -3.409 -13.262 1.00 0.00 C ATOM 0 H ALA A 48 3.370 -3.992 -11.055 1.00 0.00 H new ATOM 0 HA ALA A 48 2.370 -2.419 -13.192 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.418 -3.156 -14.309 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.740 -2.670 -12.628 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.667 -4.395 -13.056 1.00 0.00 H new ATOM 728 N GLY A 49 0.874 -3.936 -14.396 1.00 0.00 N ATOM 729 CA GLY A 49 0.051 -4.765 -15.259 1.00 0.00 C ATOM 730 C GLY A 49 -0.501 -5.971 -14.497 1.00 0.00 C ATOM 731 O GLY A 49 -1.099 -6.866 -15.093 1.00 0.00 O ATOM 0 H GLY A 49 0.521 -2.990 -14.251 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.773 -4.174 -15.658 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.640 -5.107 -16.110 1.00 0.00 H new ATOM 735 N CYS A 50 -0.281 -5.957 -13.190 1.00 0.00 N ATOM 736 CA CYS A 50 -0.749 -7.038 -12.341 1.00 0.00 C ATOM 737 C CYS A 50 -1.807 -6.478 -11.388 1.00 0.00 C ATOM 738 O CYS A 50 -1.897 -5.265 -11.200 1.00 0.00 O ATOM 739 CB CYS A 50 0.404 -7.704 -11.585 1.00 0.00 C ATOM 740 SG CYS A 50 0.866 -9.273 -12.405 1.00 0.00 S ATOM 0 H CYS A 50 0.215 -5.213 -12.699 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.193 -7.820 -12.957 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.263 -7.034 -11.552 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.110 -7.896 -10.553 1.00 0.00 H new ATOM 0 HG CYS A 50 1.846 -9.829 -11.757 1.00 0.00 H new ATOM 746 N CYS A 51 -2.581 -7.386 -10.813 1.00 0.00 N ATOM 747 CA CYS A 51 -3.629 -6.998 -9.885 1.00 0.00 C ATOM 748 C CYS A 51 -3.797 -8.116 -8.854 1.00 0.00 C ATOM 749 O CYS A 51 -4.232 -9.215 -9.191 1.00 0.00 O ATOM 750 CB CYS A 51 -4.940 -6.688 -10.610 1.00 0.00 C ATOM 751 SG CYS A 51 -4.608 -5.683 -12.103 1.00 0.00 S ATOM 0 H CYS A 51 -2.503 -8.391 -10.972 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.345 -6.077 -9.376 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.438 -7.616 -10.890 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.616 -6.152 -9.944 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.499 -5.024 -11.945 1.00 0.00 H new ATOM 757 N GLY A 52 -3.442 -7.796 -7.618 1.00 0.00 N ATOM 758 CA GLY A 52 -3.548 -8.759 -6.536 1.00 0.00 C ATOM 759 C GLY A 52 -3.851 -8.062 -5.209 1.00 0.00 C ATOM 760 O GLY A 52 -3.958 -6.837 -5.157 1.00 0.00 O ATOM 0 H GLY A 52 -3.081 -6.883 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.335 -9.479 -6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.618 -9.320 -6.452 1.00 0.00 H new ATOM 764 N TYR A 53 -3.982 -8.871 -4.168 1.00 0.00 N ATOM 765 CA TYR A 53 -4.271 -8.347 -2.844 1.00 0.00 C ATOM 766 C TYR A 53 -2.983 -8.128 -2.048 1.00 0.00 C ATOM 767 O TYR A 53 -1.974 -8.786 -2.298 1.00 0.00 O ATOM 768 CB TYR A 53 -5.114 -9.414 -2.143 1.00 0.00 C ATOM 769 CG TYR A 53 -6.610 -9.096 -2.101 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.073 -8.059 -1.316 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.496 -9.846 -2.847 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.482 -7.760 -1.276 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.904 -9.547 -2.807 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.328 -8.519 -2.024 1.00 0.00 C ATOM 775 OH TYR A 53 -10.657 -8.236 -1.986 1.00 0.00 O ATOM 0 H TYR A 53 -3.893 -9.886 -4.215 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.784 -7.388 -2.914 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.970 -10.368 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.750 -9.538 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.379 -7.472 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.133 -10.657 -3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.858 -6.952 -0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.608 -10.126 -3.386 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.141 -8.858 -2.569 1.00 0.00 H new ATOM 785 N ILE A 54 -3.059 -7.200 -1.104 1.00 0.00 N ATOM 786 CA ILE A 54 -1.912 -6.886 -0.270 1.00 0.00 C ATOM 787 C ILE A 54 -2.369 -6.735 1.182 1.00 0.00 C ATOM 788 O ILE A 54 -3.510 -6.354 1.441 1.00 0.00 O ATOM 789 CB ILE A 54 -1.174 -5.661 -0.813 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.159 -4.617 -1.343 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.144 -6.065 -1.870 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.473 -3.264 -1.540 1.00 0.00 C ATOM 0 H ILE A 54 -3.897 -6.656 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.189 -7.701 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.628 -5.200 0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.579 -4.956 -2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.990 -4.509 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.366 -5.175 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.585 -6.744 -1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.648 -6.564 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.196 -2.541 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.075 -2.916 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.658 -3.370 -2.256 1.00 0.00 H new ATOM 804 N PRO A 55 -1.431 -7.048 2.116 1.00 0.00 N ATOM 805 CA PRO A 55 -1.726 -6.951 3.535 1.00 0.00 C ATOM 806 C PRO A 55 -1.744 -5.491 3.993 1.00 0.00 C ATOM 807 O PRO A 55 -1.313 -4.602 3.260 1.00 0.00 O ATOM 808 CB PRO A 55 -0.647 -7.775 4.219 1.00 0.00 C ATOM 809 CG PRO A 55 0.474 -7.917 3.203 1.00 0.00 C ATOM 810 CD PRO A 55 -0.070 -7.502 1.846 1.00 0.00 C ATOM 0 HA PRO A 55 -2.717 -7.331 3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.294 -7.282 5.124 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.030 -8.751 4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.323 -7.292 3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.833 -8.946 3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.532 -6.708 1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.063 -8.336 1.144 1.00 0.00 H new ATOM 818 N ALA A 56 -2.247 -5.289 5.202 1.00 0.00 N ATOM 819 CA ALA A 56 -2.326 -3.952 5.766 1.00 0.00 C ATOM 820 C ALA A 56 -1.366 -3.846 6.953 1.00 0.00 C ATOM 821 O ALA A 56 -1.765 -4.046 8.099 1.00 0.00 O ATOM 822 CB ALA A 56 -3.773 -3.649 6.158 1.00 0.00 C ATOM 0 H ALA A 56 -2.604 -6.029 5.807 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.024 -3.206 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.833 -2.646 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.409 -3.709 5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.109 -4.376 6.898 1.00 0.00 H new ATOM 828 N ASN A 57 -0.118 -3.532 6.637 1.00 0.00 N ATOM 829 CA ASN A 57 0.902 -3.397 7.663 1.00 0.00 C ATOM 830 C ASN A 57 2.278 -3.309 6.999 1.00 0.00 C ATOM 831 O ASN A 57 3.157 -2.594 7.477 1.00 0.00 O ATOM 832 CB ASN A 57 0.905 -4.608 8.599 1.00 0.00 C ATOM 833 CG ASN A 57 0.849 -4.168 10.063 1.00 0.00 C ATOM 834 OD1 ASN A 57 1.417 -3.164 10.459 1.00 0.00 O ATOM 835 ND2 ASN A 57 0.134 -4.974 10.843 1.00 0.00 N ATOM 0 H ASN A 57 0.210 -3.367 5.685 1.00 0.00 H new ATOM 0 HA ASN A 57 0.685 -2.497 8.238 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.052 -5.248 8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.803 -5.202 8.428 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.036 -4.767 11.837 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.316 -5.799 10.447 1.00 0.00 H new ATOM 842 N HIS A 58 2.422 -4.046 5.908 1.00 0.00 N ATOM 843 CA HIS A 58 3.676 -4.060 5.174 1.00 0.00 C ATOM 844 C HIS A 58 3.849 -2.735 4.429 1.00 0.00 C ATOM 845 O HIS A 58 4.973 -2.300 4.184 1.00 0.00 O ATOM 846 CB HIS A 58 3.749 -5.275 4.247 1.00 0.00 C ATOM 847 CG HIS A 58 4.441 -6.472 4.856 1.00 0.00 C ATOM 848 ND1 HIS A 58 4.160 -7.773 4.477 1.00 0.00 N ATOM 849 CD2 HIS A 58 5.403 -6.550 5.819 1.00 0.00 C ATOM 850 CE1 HIS A 58 4.924 -8.589 5.187 1.00 0.00 C ATOM 851 NE2 HIS A 58 5.694 -7.830 6.019 1.00 0.00 N ATOM 0 H HIS A 58 1.691 -4.638 5.514 1.00 0.00 H new ATOM 0 HA HIS A 58 4.509 -4.157 5.871 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.737 -5.561 3.959 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.272 -4.991 3.334 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.852 -5.713 6.332 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.936 -9.667 5.119 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.380 -8.187 6.685 1.00 0.00 H new ATOM 859 N VAL A 59 2.720 -2.131 4.091 1.00 0.00 N ATOM 860 CA VAL A 59 2.733 -0.864 3.380 1.00 0.00 C ATOM 861 C VAL A 59 2.338 0.259 4.340 1.00 0.00 C ATOM 862 O VAL A 59 1.746 0.006 5.388 1.00 0.00 O ATOM 863 CB VAL A 59 1.826 -0.945 2.150 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.395 -1.916 1.113 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.401 -1.337 2.544 1.00 0.00 C ATOM 0 H VAL A 59 1.790 -2.495 4.296 1.00 0.00 H new ATOM 0 HA VAL A 59 3.736 -0.642 3.015 1.00 0.00 H new ATOM 0 HB VAL A 59 1.787 0.045 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.732 -1.955 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.381 -1.575 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.478 -2.910 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.223 -1.387 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.414 -2.311 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.005 -0.592 3.229 1.00 0.00 H new ATOM 875 N GLY A 60 2.682 1.478 3.949 1.00 0.00 N ATOM 876 CA GLY A 60 2.370 2.641 4.762 1.00 0.00 C ATOM 877 C GLY A 60 2.830 3.929 4.075 1.00 0.00 C ATOM 878 O GLY A 60 3.452 3.883 3.015 1.00 0.00 O ATOM 0 H GLY A 60 3.174 1.685 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.296 2.685 4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.854 2.550 5.734 1.00 0.00 H new ATOM 882 N LYS A 61 2.507 5.047 4.708 1.00 0.00 N ATOM 883 CA LYS A 61 2.879 6.345 4.172 1.00 0.00 C ATOM 884 C LYS A 61 4.154 6.831 4.863 1.00 0.00 C ATOM 885 O LYS A 61 4.093 7.625 5.800 1.00 0.00 O ATOM 886 CB LYS A 61 1.709 7.325 4.281 1.00 0.00 C ATOM 887 CG LYS A 61 1.196 7.723 2.895 1.00 0.00 C ATOM 888 CD LYS A 61 1.737 9.093 2.483 1.00 0.00 C ATOM 889 CE LYS A 61 1.025 9.610 1.231 1.00 0.00 C ATOM 890 NZ LYS A 61 1.009 11.090 1.218 1.00 0.00 N ATOM 0 H LYS A 61 1.992 5.081 5.588 1.00 0.00 H new ATOM 0 HA LYS A 61 3.102 6.268 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.901 6.870 4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.025 8.215 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.497 6.974 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.106 7.745 2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.603 9.802 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.808 9.023 2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.529 9.238 0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.004 9.229 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.522 11.424 0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.508 11.439 2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.986 11.448 1.223 1.00 0.00 H new ATOM 904 N HIS A 62 5.281 6.333 4.374 1.00 0.00 N ATOM 905 CA HIS A 62 6.569 6.706 4.932 1.00 0.00 C ATOM 906 C HIS A 62 7.150 7.881 4.143 1.00 0.00 C ATOM 907 O HIS A 62 7.070 7.909 2.916 1.00 0.00 O ATOM 908 CB HIS A 62 7.510 5.501 4.980 1.00 0.00 C ATOM 909 CG HIS A 62 8.692 5.681 5.903 1.00 0.00 C ATOM 910 ND1 HIS A 62 9.933 6.101 5.457 1.00 0.00 N ATOM 911 CD2 HIS A 62 8.809 5.495 7.249 1.00 0.00 C ATOM 912 CE1 HIS A 62 10.753 6.161 6.497 1.00 0.00 C ATOM 913 NE2 HIS A 62 10.054 5.784 7.606 1.00 0.00 N ATOM 0 H HIS A 62 5.328 5.674 3.597 1.00 0.00 H new ATOM 0 HA HIS A 62 6.441 7.034 5.963 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.945 4.624 5.297 1.00 0.00 H new ATOM 0 HB3 HIS A 62 7.876 5.298 3.973 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.022 5.168 7.912 1.00 0.00 H new ATOM 0 HE1 HIS A 62 11.792 6.456 6.471 1.00 0.00 H new ATOM 0 HE2 HIS A 62 10.427 5.733 8.554 1.00 0.00 H new ATOM 921 N SER A 63 7.721 8.823 4.880 1.00 0.00 N ATOM 922 CA SER A 63 8.315 9.997 4.264 1.00 0.00 C ATOM 923 C SER A 63 9.289 9.574 3.163 1.00 0.00 C ATOM 924 O SER A 63 10.171 8.748 3.393 1.00 0.00 O ATOM 925 CB SER A 63 9.030 10.861 5.304 1.00 0.00 C ATOM 926 OG SER A 63 8.706 12.242 5.165 1.00 0.00 O ATOM 0 H SER A 63 7.785 8.797 5.898 1.00 0.00 H new ATOM 0 HA SER A 63 7.517 10.594 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.758 10.524 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.108 10.730 5.205 1.00 0.00 H new ATOM 0 HG SER A 63 9.181 12.760 5.848 1.00 0.00 H new ATOM 932 N GLY A 64 9.098 10.160 1.990 1.00 0.00 N ATOM 933 CA GLY A 64 9.949 9.855 0.853 1.00 0.00 C ATOM 934 C GLY A 64 11.420 9.795 1.270 1.00 0.00 C ATOM 935 O GLY A 64 12.060 10.829 1.452 1.00 0.00 O ATOM 0 H GLY A 64 8.366 10.845 1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.652 8.901 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.817 10.613 0.081 1.00 0.00 H new ATOM 939 N PRO A 65 11.927 8.541 1.412 1.00 0.00 N ATOM 940 CA PRO A 65 13.310 8.332 1.804 1.00 0.00 C ATOM 941 C PRO A 65 14.259 8.621 0.639 1.00 0.00 C ATOM 942 O PRO A 65 14.683 7.703 -0.063 1.00 0.00 O ATOM 943 CB PRO A 65 13.372 6.889 2.278 1.00 0.00 C ATOM 944 CG PRO A 65 12.141 6.208 1.701 1.00 0.00 C ATOM 945 CD PRO A 65 11.198 7.292 1.205 1.00 0.00 C ATOM 0 HA PRO A 65 13.630 9.010 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.285 6.403 1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.374 6.835 3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.421 5.542 0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.653 5.595 2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 65 10.948 7.149 0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.260 7.285 1.759 1.00 0.00 H new ATOM 953 N SER A 66 14.566 9.898 0.470 1.00 0.00 N ATOM 954 CA SER A 66 15.457 10.319 -0.598 1.00 0.00 C ATOM 955 C SER A 66 16.671 9.391 -0.662 1.00 0.00 C ATOM 956 O SER A 66 17.535 9.431 0.213 1.00 0.00 O ATOM 957 CB SER A 66 15.906 11.768 -0.401 1.00 0.00 C ATOM 958 OG SER A 66 16.507 11.972 0.875 1.00 0.00 O ATOM 0 H SER A 66 14.214 10.656 1.055 1.00 0.00 H new ATOM 0 HA SER A 66 14.913 10.261 -1.541 1.00 0.00 H new ATOM 0 HB2 SER A 66 16.616 12.037 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 66 15.048 12.431 -0.508 1.00 0.00 H new ATOM 0 HG SER A 66 17.008 11.170 1.133 1.00 0.00 H new ATOM 964 N SER A 67 16.699 8.576 -1.707 1.00 0.00 N ATOM 965 CA SER A 67 17.793 7.639 -1.896 1.00 0.00 C ATOM 966 C SER A 67 19.110 8.400 -2.063 1.00 0.00 C ATOM 967 O SER A 67 20.061 8.174 -1.317 1.00 0.00 O ATOM 968 CB SER A 67 17.544 6.738 -3.107 1.00 0.00 C ATOM 969 OG SER A 67 18.338 5.556 -3.066 1.00 0.00 O ATOM 0 H SER A 67 15.981 8.546 -2.431 1.00 0.00 H new ATOM 0 HA SER A 67 17.856 7.004 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.489 6.465 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.763 7.290 -4.021 1.00 0.00 H new ATOM 0 HG SER A 67 18.148 5.007 -3.855 1.00 0.00 H new ATOM 975 N GLY A 68 19.124 9.287 -3.048 1.00 0.00 N ATOM 976 CA GLY A 68 20.309 10.082 -3.323 1.00 0.00 C ATOM 977 C GLY A 68 21.019 9.590 -4.585 1.00 0.00 C ATOM 978 O GLY A 68 20.400 9.463 -5.640 1.00 0.00 O ATOM 0 H GLY A 68 18.333 9.472 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.029 11.129 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.991 10.030 -2.474 1.00 0.00 H new TER 982 GLY A 68