USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 588 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 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 40 TYR OH : rot -4:sc= 0.437 USER MOD Single : A 43 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.35) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= 1.17 (180deg=0.7) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0706 K(o=-0.071,f=-1.5!) USER MOD Single : A 62 MET CE :methyl 175:sc= -0.0209 (180deg=-0.0362) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0981 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0835 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0522 X(o=-0.052,f=-0.0094) USER MOD Single : A 84 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.011) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 94 ASN : amide:sc= -0.04 K(o=-0.04,f=-0.63!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0502 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 15.725 21.812 -4.588 1.00 10.00 N ATOM 2 CA GLY A 25 15.056 22.087 -5.846 1.00 10.00 C ATOM 3 C GLY A 25 14.052 21.013 -6.196 1.00 10.00 C ATOM 4 O GLY A 25 13.013 21.285 -6.801 1.00 10.00 O ATOM 0 HA2 GLY A 25 14.551 23.051 -5.785 1.00 10.00 H new ATOM 0 HA3 GLY A 25 15.797 22.165 -6.642 1.00 10.00 H new ATOM 8 N SER A 26 14.373 19.787 -5.816 1.00 10.00 N ATOM 9 CA SER A 26 13.507 18.649 -6.077 1.00 10.00 C ATOM 10 C SER A 26 13.059 18.021 -4.761 1.00 10.00 C ATOM 11 O SER A 26 13.740 18.149 -3.740 1.00 10.00 O ATOM 12 CB SER A 26 14.234 17.614 -6.937 1.00 10.00 C ATOM 13 OG SER A 26 14.753 18.208 -8.116 1.00 10.00 O ATOM 0 H SER A 26 15.234 19.554 -5.322 1.00 10.00 H new ATOM 0 HA SER A 26 12.627 18.995 -6.620 1.00 10.00 H new ATOM 0 HB2 SER A 26 15.045 17.165 -6.364 1.00 10.00 H new ATOM 0 HB3 SER A 26 13.548 16.810 -7.202 1.00 10.00 H new ATOM 0 HG SER A 26 15.215 17.528 -8.649 1.00 10.00 H new ATOM 19 N SER A 27 11.915 17.351 -4.783 1.00 10.00 N ATOM 20 CA SER A 27 11.379 16.712 -3.589 1.00 10.00 C ATOM 21 C SER A 27 11.630 15.204 -3.615 1.00 10.00 C ATOM 22 O SER A 27 11.061 14.479 -4.436 1.00 10.00 O ATOM 23 CB SER A 27 9.879 17.006 -3.481 1.00 10.00 C ATOM 24 OG SER A 27 9.581 18.321 -3.939 1.00 10.00 O ATOM 0 H SER A 27 11.339 17.236 -5.617 1.00 10.00 H new ATOM 0 HA SER A 27 11.888 17.118 -2.715 1.00 10.00 H new ATOM 0 HB2 SER A 27 9.319 16.278 -4.068 1.00 10.00 H new ATOM 0 HB3 SER A 27 9.557 16.896 -2.445 1.00 10.00 H new ATOM 0 HG SER A 27 8.618 18.484 -3.862 1.00 10.00 H new ATOM 30 N GLY A 28 12.494 14.740 -2.720 1.00 10.00 N ATOM 31 CA GLY A 28 12.806 13.329 -2.646 1.00 10.00 C ATOM 32 C GLY A 28 13.333 12.938 -1.283 1.00 10.00 C ATOM 33 O GLY A 28 13.765 13.797 -0.513 1.00 10.00 O ATOM 0 H GLY A 28 12.986 15.321 -2.041 1.00 10.00 H new ATOM 0 HA2 GLY A 28 11.912 12.747 -2.870 1.00 10.00 H new ATOM 0 HA3 GLY A 28 13.546 13.081 -3.406 1.00 10.00 H new ATOM 37 N SER A 29 13.274 11.650 -0.974 1.00 10.00 N ATOM 38 CA SER A 29 13.752 11.142 0.303 1.00 10.00 C ATOM 39 C SER A 29 14.606 9.895 0.084 1.00 10.00 C ATOM 40 O SER A 29 14.108 8.769 0.147 1.00 10.00 O ATOM 41 CB SER A 29 12.572 10.823 1.228 1.00 10.00 C ATOM 42 OG SER A 29 11.567 11.821 1.131 1.00 10.00 O ATOM 0 H SER A 29 12.897 10.934 -1.595 1.00 10.00 H new ATOM 0 HA SER A 29 14.364 11.909 0.777 1.00 10.00 H new ATOM 0 HB2 SER A 29 12.152 9.852 0.966 1.00 10.00 H new ATOM 0 HB3 SER A 29 12.921 10.752 2.258 1.00 10.00 H new ATOM 0 HG SER A 29 10.824 11.596 1.729 1.00 10.00 H new ATOM 48 N SER A 30 15.880 10.107 -0.222 1.00 10.00 N ATOM 49 CA SER A 30 16.806 9.005 -0.441 1.00 10.00 C ATOM 50 C SER A 30 17.359 8.502 0.890 1.00 10.00 C ATOM 51 O SER A 30 18.271 9.095 1.469 1.00 10.00 O ATOM 52 CB SER A 30 17.947 9.438 -1.365 1.00 10.00 C ATOM 53 OG SER A 30 17.446 9.928 -2.597 1.00 10.00 O ATOM 0 H SER A 30 16.295 11.033 -0.324 1.00 10.00 H new ATOM 0 HA SER A 30 16.265 8.190 -0.921 1.00 10.00 H new ATOM 0 HB2 SER A 30 18.541 10.211 -0.877 1.00 10.00 H new ATOM 0 HB3 SER A 30 18.611 8.593 -1.549 1.00 10.00 H new ATOM 0 HG SER A 30 18.194 10.200 -3.169 1.00 10.00 H new ATOM 59 N GLY A 31 16.785 7.420 1.380 1.00 10.00 N ATOM 60 CA GLY A 31 17.217 6.852 2.638 1.00 10.00 C ATOM 61 C GLY A 31 16.282 5.755 3.096 1.00 10.00 C ATOM 62 O GLY A 31 15.582 5.906 4.101 1.00 10.00 O ATOM 0 H GLY A 31 16.021 6.919 0.926 1.00 10.00 H new ATOM 0 HA2 GLY A 31 18.225 6.452 2.532 1.00 10.00 H new ATOM 0 HA3 GLY A 31 17.262 7.634 3.396 1.00 10.00 H new ATOM 66 N VAL A 32 16.252 4.661 2.341 1.00 10.00 N ATOM 67 CA VAL A 32 15.390 3.529 2.662 1.00 10.00 C ATOM 68 C VAL A 32 15.799 2.877 3.981 1.00 10.00 C ATOM 69 O VAL A 32 16.965 2.922 4.373 1.00 10.00 O ATOM 70 CB VAL A 32 15.412 2.457 1.550 1.00 10.00 C ATOM 71 CG1 VAL A 32 14.887 3.026 0.243 1.00 10.00 C ATOM 72 CG2 VAL A 32 16.814 1.888 1.361 1.00 10.00 C ATOM 0 H VAL A 32 16.816 4.535 1.501 1.00 10.00 H new ATOM 0 HA VAL A 32 14.380 3.928 2.750 1.00 10.00 H new ATOM 0 HB VAL A 32 14.757 1.643 1.860 1.00 10.00 H new ATOM 0 HG11 VAL A 32 14.912 2.254 -0.526 1.00 10.00 H new ATOM 0 HG12 VAL A 32 13.861 3.368 0.381 1.00 10.00 H new ATOM 0 HG13 VAL A 32 15.511 3.865 -0.065 1.00 10.00 H new ATOM 0 HG21 VAL A 32 16.798 1.136 0.572 1.00 10.00 H new ATOM 0 HG22 VAL A 32 17.498 2.690 1.084 1.00 10.00 H new ATOM 0 HG23 VAL A 32 17.149 1.430 2.292 1.00 10.00 H new ATOM 82 N HIS A 33 14.836 2.271 4.665 1.00 10.00 N ATOM 83 CA HIS A 33 15.101 1.607 5.929 1.00 10.00 C ATOM 84 C HIS A 33 14.833 0.115 5.793 1.00 10.00 C ATOM 85 O HIS A 33 14.405 -0.350 4.736 1.00 10.00 O ATOM 86 CB HIS A 33 14.234 2.207 7.042 1.00 10.00 C ATOM 87 CG HIS A 33 14.902 3.326 7.777 1.00 10.00 C ATOM 88 ND1 HIS A 33 14.607 3.594 9.093 1.00 10.00 N ATOM 89 CD2 HIS A 33 15.836 4.207 7.344 1.00 10.00 C ATOM 90 CE1 HIS A 33 15.364 4.623 9.431 1.00 10.00 C ATOM 91 NE2 HIS A 33 16.124 5.026 8.403 1.00 10.00 N ATOM 0 H HIS A 33 13.863 2.227 4.362 1.00 10.00 H new ATOM 0 HA HIS A 33 16.148 1.756 6.194 1.00 10.00 H new ATOM 0 HB2 HIS A 33 13.302 2.571 6.610 1.00 10.00 H new ATOM 0 HB3 HIS A 33 13.971 1.422 7.751 1.00 10.00 H new ATOM 0 HD2 HIS A 33 16.269 4.254 6.356 1.00 10.00 H new ATOM 0 HE1 HIS A 33 15.370 5.080 10.409 1.00 10.00 H new ATOM 0 HE2 HIS A 33 16.791 5.797 8.409 1.00 10.00 H new ATOM 99 N VAL A 34 15.115 -0.642 6.842 1.00 10.00 N ATOM 100 CA VAL A 34 14.880 -2.078 6.822 1.00 10.00 C ATOM 101 C VAL A 34 13.416 -2.384 7.111 1.00 10.00 C ATOM 102 O VAL A 34 12.901 -3.437 6.739 1.00 10.00 O ATOM 103 CB VAL A 34 15.767 -2.823 7.844 1.00 10.00 C ATOM 104 CG1 VAL A 34 17.228 -2.740 7.435 1.00 10.00 C ATOM 105 CG2 VAL A 34 15.578 -2.269 9.250 1.00 10.00 C ATOM 0 H VAL A 34 15.506 -0.288 7.715 1.00 10.00 H new ATOM 0 HA VAL A 34 15.140 -2.429 5.823 1.00 10.00 H new ATOM 0 HB VAL A 34 15.461 -3.869 7.853 1.00 10.00 H new ATOM 0 HG11 VAL A 34 17.841 -3.269 8.165 1.00 10.00 H new ATOM 0 HG12 VAL A 34 17.357 -3.196 6.453 1.00 10.00 H new ATOM 0 HG13 VAL A 34 17.535 -1.695 7.393 1.00 10.00 H new ATOM 0 HG21 VAL A 34 16.216 -2.815 9.945 1.00 10.00 H new ATOM 0 HG22 VAL A 34 15.846 -1.213 9.264 1.00 10.00 H new ATOM 0 HG23 VAL A 34 14.536 -2.382 9.549 1.00 10.00 H new ATOM 115 N GLU A 35 12.755 -1.455 7.783 1.00 10.00 N ATOM 116 CA GLU A 35 11.354 -1.613 8.125 1.00 10.00 C ATOM 117 C GLU A 35 10.654 -0.258 8.090 1.00 10.00 C ATOM 118 O GLU A 35 10.588 0.458 9.092 1.00 10.00 O ATOM 119 CB GLU A 35 11.206 -2.261 9.505 1.00 10.00 C ATOM 120 CG GLU A 35 9.762 -2.510 9.921 1.00 10.00 C ATOM 121 CD GLU A 35 9.610 -2.645 11.421 1.00 10.00 C ATOM 122 OE1 GLU A 35 10.611 -2.459 12.146 1.00 10.00 O ATOM 123 OE2 GLU A 35 8.487 -2.923 11.888 1.00 10.00 O ATOM 0 H GLU A 35 13.170 -0.580 8.103 1.00 10.00 H new ATOM 0 HA GLU A 35 10.885 -2.269 7.391 1.00 10.00 H new ATOM 0 HB2 GLU A 35 11.743 -3.209 9.509 1.00 10.00 H new ATOM 0 HB3 GLU A 35 11.682 -1.622 10.248 1.00 10.00 H new ATOM 0 HG2 GLU A 35 9.138 -1.689 9.567 1.00 10.00 H new ATOM 0 HG3 GLU A 35 9.399 -3.417 9.438 1.00 10.00 H new ATOM 130 N ASP A 36 10.164 0.102 6.920 1.00 10.00 N ATOM 131 CA ASP A 36 9.460 1.360 6.738 1.00 10.00 C ATOM 132 C ASP A 36 8.022 1.102 6.308 1.00 10.00 C ATOM 133 O ASP A 36 7.369 1.961 5.714 1.00 10.00 O ATOM 134 CB ASP A 36 10.172 2.249 5.711 1.00 10.00 C ATOM 135 CG ASP A 36 10.831 1.464 4.594 1.00 10.00 C ATOM 136 OD1 ASP A 36 12.007 1.755 4.277 1.00 10.00 O ATOM 137 OD2 ASP A 36 10.186 0.553 4.036 1.00 10.00 O ATOM 0 H ASP A 36 10.241 -0.463 6.074 1.00 10.00 H new ATOM 0 HA ASP A 36 9.455 1.886 7.693 1.00 10.00 H new ATOM 0 HB2 ASP A 36 9.451 2.944 5.281 1.00 10.00 H new ATOM 0 HB3 ASP A 36 10.928 2.847 6.220 1.00 10.00 H new ATOM 142 N ALA A 37 7.533 -0.087 6.635 1.00 10.00 N ATOM 143 CA ALA A 37 6.168 -0.486 6.307 1.00 10.00 C ATOM 144 C ALA A 37 5.162 0.445 6.973 1.00 10.00 C ATOM 145 O ALA A 37 4.181 0.866 6.360 1.00 10.00 O ATOM 146 CB ALA A 37 5.931 -1.930 6.743 1.00 10.00 C ATOM 0 H ALA A 37 8.067 -0.800 7.132 1.00 10.00 H new ATOM 0 HA ALA A 37 6.031 -0.416 5.228 1.00 10.00 H new ATOM 0 HB1 ALA A 37 4.910 -2.222 6.496 1.00 10.00 H new ATOM 0 HB2 ALA A 37 6.632 -2.586 6.226 1.00 10.00 H new ATOM 0 HB3 ALA A 37 6.082 -2.015 7.819 1.00 10.00 H new ATOM 152 N LEU A 38 5.438 0.783 8.227 1.00 10.00 N ATOM 153 CA LEU A 38 4.568 1.660 8.999 1.00 10.00 C ATOM 154 C LEU A 38 4.512 3.058 8.393 1.00 10.00 C ATOM 155 O LEU A 38 3.511 3.762 8.531 1.00 10.00 O ATOM 156 CB LEU A 38 5.049 1.732 10.452 1.00 10.00 C ATOM 157 CG LEU A 38 6.548 2.006 10.641 1.00 10.00 C ATOM 158 CD1 LEU A 38 6.807 3.479 10.913 1.00 10.00 C ATOM 159 CD2 LEU A 38 7.110 1.155 11.769 1.00 10.00 C ATOM 0 H LEU A 38 6.263 0.460 8.733 1.00 10.00 H new ATOM 0 HA LEU A 38 3.561 1.243 8.975 1.00 10.00 H new ATOM 0 HB2 LEU A 38 4.488 2.514 10.964 1.00 10.00 H new ATOM 0 HB3 LEU A 38 4.805 0.790 10.944 1.00 10.00 H new ATOM 0 HG LEU A 38 7.055 1.738 9.714 1.00 10.00 H new ATOM 0 HD11 LEU A 38 7.877 3.642 11.043 1.00 10.00 H new ATOM 0 HD12 LEU A 38 6.448 4.073 10.072 1.00 10.00 H new ATOM 0 HD13 LEU A 38 6.282 3.779 11.820 1.00 10.00 H new ATOM 0 HD21 LEU A 38 8.173 1.364 11.887 1.00 10.00 H new ATOM 0 HD22 LEU A 38 6.589 1.390 12.697 1.00 10.00 H new ATOM 0 HD23 LEU A 38 6.971 0.100 11.533 1.00 10.00 H new ATOM 171 N THR A 39 5.590 3.447 7.723 1.00 10.00 N ATOM 172 CA THR A 39 5.670 4.757 7.102 1.00 10.00 C ATOM 173 C THR A 39 4.705 4.875 5.930 1.00 10.00 C ATOM 174 O THR A 39 3.896 5.800 5.877 1.00 10.00 O ATOM 175 CB THR A 39 7.099 5.058 6.612 1.00 10.00 C ATOM 176 OG1 THR A 39 8.054 4.470 7.508 1.00 10.00 O ATOM 177 CG2 THR A 39 7.340 6.561 6.523 1.00 10.00 C ATOM 0 H THR A 39 6.421 2.870 7.597 1.00 10.00 H new ATOM 0 HA THR A 39 5.394 5.485 7.865 1.00 10.00 H new ATOM 0 HB THR A 39 7.217 4.629 5.617 1.00 10.00 H new ATOM 0 HG1 THR A 39 8.961 4.663 7.191 1.00 10.00 H new ATOM 0 HG21 THR A 39 8.356 6.747 6.175 1.00 10.00 H new ATOM 0 HG22 THR A 39 6.630 7.002 5.823 1.00 10.00 H new ATOM 0 HG23 THR A 39 7.206 7.010 7.507 1.00 10.00 H new ATOM 185 N TYR A 40 4.777 3.932 5.002 1.00 10.00 N ATOM 186 CA TYR A 40 3.903 3.958 3.833 1.00 10.00 C ATOM 187 C TYR A 40 2.458 3.742 4.254 1.00 10.00 C ATOM 188 O TYR A 40 1.530 4.239 3.611 1.00 10.00 O ATOM 189 CB TYR A 40 4.330 2.897 2.814 1.00 10.00 C ATOM 190 CG TYR A 40 4.024 3.281 1.383 1.00 10.00 C ATOM 191 CD1 TYR A 40 3.076 2.590 0.638 1.00 10.00 C ATOM 192 CD2 TYR A 40 4.688 4.338 0.778 1.00 10.00 C ATOM 193 CE1 TYR A 40 2.795 2.946 -0.668 1.00 10.00 C ATOM 194 CE2 TYR A 40 4.413 4.699 -0.527 1.00 10.00 C ATOM 195 CZ TYR A 40 3.467 4.000 -1.246 1.00 10.00 C ATOM 196 OH TYR A 40 3.184 4.368 -2.543 1.00 10.00 O ATOM 0 H TYR A 40 5.425 3.145 5.032 1.00 10.00 H new ATOM 0 HA TYR A 40 3.987 4.936 3.360 1.00 10.00 H new ATOM 0 HB2 TYR A 40 5.401 2.718 2.913 1.00 10.00 H new ATOM 0 HB3 TYR A 40 3.827 1.958 3.046 1.00 10.00 H new ATOM 0 HD1 TYR A 40 2.550 1.761 1.087 1.00 10.00 H new ATOM 0 HD2 TYR A 40 5.432 4.888 1.336 1.00 10.00 H new ATOM 0 HE1 TYR A 40 2.053 2.401 -1.232 1.00 10.00 H new ATOM 0 HE2 TYR A 40 4.937 5.526 -0.982 1.00 10.00 H new ATOM 0 HH TYR A 40 2.540 3.738 -2.929 1.00 10.00 H new ATOM 206 N LEU A 41 2.277 3.015 5.350 1.00 10.00 N ATOM 207 CA LEU A 41 0.949 2.738 5.880 1.00 10.00 C ATOM 208 C LEU A 41 0.286 4.037 6.335 1.00 10.00 C ATOM 209 O LEU A 41 -0.904 4.258 6.099 1.00 10.00 O ATOM 210 CB LEU A 41 1.038 1.749 7.052 1.00 10.00 C ATOM 211 CG LEU A 41 0.197 0.472 6.911 1.00 10.00 C ATOM 212 CD1 LEU A 41 -1.288 0.800 6.887 1.00 10.00 C ATOM 213 CD2 LEU A 41 0.598 -0.300 5.661 1.00 10.00 C ATOM 0 H LEU A 41 3.038 2.605 5.891 1.00 10.00 H new ATOM 0 HA LEU A 41 0.343 2.290 5.092 1.00 10.00 H new ATOM 0 HB2 LEU A 41 2.081 1.462 7.183 1.00 10.00 H new ATOM 0 HB3 LEU A 41 0.732 2.265 7.962 1.00 10.00 H new ATOM 0 HG LEU A 41 0.390 -0.158 7.779 1.00 10.00 H new ATOM 0 HD11 LEU A 41 -1.862 -0.121 6.786 1.00 10.00 H new ATOM 0 HD12 LEU A 41 -1.565 1.301 7.815 1.00 10.00 H new ATOM 0 HD13 LEU A 41 -1.502 1.455 6.043 1.00 10.00 H new ATOM 0 HD21 LEU A 41 -0.010 -1.201 5.579 1.00 10.00 H new ATOM 0 HD22 LEU A 41 0.441 0.324 4.782 1.00 10.00 H new ATOM 0 HD23 LEU A 41 1.650 -0.577 5.726 1.00 10.00 H new ATOM 225 N ASP A 42 1.070 4.903 6.968 1.00 10.00 N ATOM 226 CA ASP A 42 0.565 6.184 7.448 1.00 10.00 C ATOM 227 C ASP A 42 0.306 7.127 6.282 1.00 10.00 C ATOM 228 O ASP A 42 -0.602 7.957 6.330 1.00 10.00 O ATOM 229 CB ASP A 42 1.556 6.825 8.423 1.00 10.00 C ATOM 230 CG ASP A 42 1.005 8.081 9.073 1.00 10.00 C ATOM 231 OD1 ASP A 42 -0.071 8.004 9.714 1.00 10.00 O ATOM 232 OD2 ASP A 42 1.648 9.147 8.959 1.00 10.00 O ATOM 0 H ASP A 42 2.058 4.741 7.161 1.00 10.00 H new ATOM 0 HA ASP A 42 -0.374 6.002 7.971 1.00 10.00 H new ATOM 0 HB2 ASP A 42 1.816 6.104 9.198 1.00 10.00 H new ATOM 0 HB3 ASP A 42 2.476 7.069 7.892 1.00 10.00 H new ATOM 237 N GLN A 43 1.104 6.975 5.229 1.00 10.00 N ATOM 238 CA GLN A 43 0.980 7.806 4.038 1.00 10.00 C ATOM 239 C GLN A 43 -0.410 7.664 3.428 1.00 10.00 C ATOM 240 O GLN A 43 -1.010 8.645 2.988 1.00 10.00 O ATOM 241 CB GLN A 43 2.053 7.434 3.010 1.00 10.00 C ATOM 242 CG GLN A 43 3.473 7.717 3.471 1.00 10.00 C ATOM 243 CD GLN A 43 3.712 9.187 3.744 1.00 10.00 C ATOM 244 OE1 GLN A 43 3.532 9.661 4.869 1.00 10.00 O ATOM 245 NE2 GLN A 43 4.111 9.921 2.719 1.00 10.00 N ATOM 0 H GLN A 43 1.848 6.279 5.178 1.00 10.00 H new ATOM 0 HA GLN A 43 1.125 8.846 4.330 1.00 10.00 H new ATOM 0 HB2 GLN A 43 1.963 6.374 2.773 1.00 10.00 H new ATOM 0 HB3 GLN A 43 1.865 7.984 2.088 1.00 10.00 H new ATOM 0 HG2 GLN A 43 3.679 7.145 4.376 1.00 10.00 H new ATOM 0 HG3 GLN A 43 4.174 7.373 2.710 1.00 10.00 H new ATOM 0 HE21 GLN A 43 4.248 9.489 1.805 1.00 10.00 H new ATOM 0 HE22 GLN A 43 4.282 10.919 2.842 1.00 10.00 H new ATOM 254 N VAL A 44 -0.922 6.437 3.421 1.00 10.00 N ATOM 255 CA VAL A 44 -2.253 6.157 2.888 1.00 10.00 C ATOM 256 C VAL A 44 -3.301 6.959 3.660 1.00 10.00 C ATOM 257 O VAL A 44 -4.234 7.519 3.079 1.00 10.00 O ATOM 258 CB VAL A 44 -2.594 4.651 2.985 1.00 10.00 C ATOM 259 CG1 VAL A 44 -3.998 4.386 2.472 1.00 10.00 C ATOM 260 CG2 VAL A 44 -1.574 3.808 2.226 1.00 10.00 C ATOM 0 H VAL A 44 -0.433 5.617 3.780 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.259 6.447 1.837 1.00 10.00 H new ATOM 0 HB VAL A 44 -2.552 4.363 4.035 1.00 10.00 H new ATOM 0 HG11 VAL A 44 -4.218 3.321 2.549 1.00 10.00 H new ATOM 0 HG12 VAL A 44 -4.716 4.949 3.069 1.00 10.00 H new ATOM 0 HG13 VAL A 44 -4.069 4.697 1.430 1.00 10.00 H new ATOM 0 HG21 VAL A 44 -1.838 2.754 2.311 1.00 10.00 H new ATOM 0 HG22 VAL A 44 -1.572 4.098 1.175 1.00 10.00 H new ATOM 0 HG23 VAL A 44 -0.582 3.969 2.649 1.00 10.00 H new ATOM 270 N LYS A 45 -3.109 7.030 4.974 1.00 10.00 N ATOM 271 CA LYS A 45 -4.011 7.753 5.863 1.00 10.00 C ATOM 272 C LYS A 45 -4.033 9.243 5.535 1.00 10.00 C ATOM 273 O LYS A 45 -5.076 9.886 5.617 1.00 10.00 O ATOM 274 CB LYS A 45 -3.583 7.557 7.317 1.00 10.00 C ATOM 275 CG LYS A 45 -4.586 8.094 8.324 1.00 10.00 C ATOM 276 CD LYS A 45 -4.029 8.075 9.733 1.00 10.00 C ATOM 277 CE LYS A 45 -3.445 9.423 10.135 1.00 10.00 C ATOM 278 NZ LYS A 45 -2.136 9.700 9.477 1.00 10.00 N ATOM 0 H LYS A 45 -2.324 6.588 5.452 1.00 10.00 H new ATOM 0 HA LYS A 45 -5.015 7.353 5.719 1.00 10.00 H new ATOM 0 HB2 LYS A 45 -3.429 6.494 7.502 1.00 10.00 H new ATOM 0 HB3 LYS A 45 -2.624 8.050 7.474 1.00 10.00 H new ATOM 0 HG2 LYS A 45 -4.861 9.114 8.055 1.00 10.00 H new ATOM 0 HG3 LYS A 45 -5.497 7.497 8.285 1.00 10.00 H new ATOM 0 HD2 LYS A 45 -4.819 7.800 10.431 1.00 10.00 H new ATOM 0 HD3 LYS A 45 -3.257 7.309 9.807 1.00 10.00 H new ATOM 0 HE2 LYS A 45 -4.151 10.212 9.877 1.00 10.00 H new ATOM 0 HE3 LYS A 45 -3.317 9.451 11.217 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -1.618 10.419 10.022 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -1.575 8.825 9.437 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -2.300 10.050 8.511 1.00 10.00 H new ATOM 292 N ILE A 46 -2.879 9.783 5.174 1.00 10.00 N ATOM 293 CA ILE A 46 -2.775 11.198 4.847 1.00 10.00 C ATOM 294 C ILE A 46 -3.403 11.487 3.489 1.00 10.00 C ATOM 295 O ILE A 46 -4.150 12.454 3.326 1.00 10.00 O ATOM 296 CB ILE A 46 -1.305 11.665 4.844 1.00 10.00 C ATOM 297 CG1 ILE A 46 -0.623 11.261 6.152 1.00 10.00 C ATOM 298 CG2 ILE A 46 -1.230 13.173 4.641 1.00 10.00 C ATOM 299 CD1 ILE A 46 0.861 11.552 6.173 1.00 10.00 C ATOM 0 H ILE A 46 -2.003 9.265 5.100 1.00 10.00 H new ATOM 0 HA ILE A 46 -3.315 11.750 5.616 1.00 10.00 H new ATOM 0 HB ILE A 46 -0.783 11.182 4.018 1.00 10.00 H new ATOM 0 HG12 ILE A 46 -1.100 11.787 6.979 1.00 10.00 H new ATOM 0 HG13 ILE A 46 -0.779 10.195 6.320 1.00 10.00 H new ATOM 0 HG21 ILE A 46 -0.187 13.489 4.641 1.00 10.00 H new ATOM 0 HG22 ILE A 46 -1.688 13.435 3.687 1.00 10.00 H new ATOM 0 HG23 ILE A 46 -1.761 13.676 5.449 1.00 10.00 H new ATOM 0 HD11 ILE A 46 1.279 11.240 7.130 1.00 10.00 H new ATOM 0 HD12 ILE A 46 1.351 11.005 5.367 1.00 10.00 H new ATOM 0 HD13 ILE A 46 1.024 12.621 6.037 1.00 10.00 H new ATOM 311 N ARG A 47 -3.111 10.626 2.521 1.00 10.00 N ATOM 312 CA ARG A 47 -3.638 10.775 1.172 1.00 10.00 C ATOM 313 C ARG A 47 -5.157 10.651 1.161 1.00 10.00 C ATOM 314 O ARG A 47 -5.845 11.352 0.419 1.00 10.00 O ATOM 315 CB ARG A 47 -3.018 9.736 0.238 1.00 10.00 C ATOM 316 CG ARG A 47 -1.668 10.158 -0.321 1.00 10.00 C ATOM 317 CD ARG A 47 -1.817 11.303 -1.305 1.00 10.00 C ATOM 318 NE ARG A 47 -0.531 11.894 -1.678 1.00 10.00 N ATOM 319 CZ ARG A 47 -0.407 12.965 -2.462 1.00 10.00 C ATOM 320 NH1 ARG A 47 -1.488 13.558 -2.956 1.00 10.00 N ATOM 321 NH2 ARG A 47 0.799 13.448 -2.750 1.00 10.00 N ATOM 0 H ARG A 47 -2.508 9.813 2.648 1.00 10.00 H new ATOM 0 HA ARG A 47 -3.374 11.771 0.816 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -2.902 8.796 0.778 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.703 9.547 -0.589 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.011 10.459 0.495 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.194 9.310 -0.815 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.321 10.943 -2.202 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.453 12.072 -0.868 1.00 10.00 H new ATOM 0 HE ARG A 47 0.319 11.461 -1.317 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -2.415 13.194 -2.736 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.391 14.377 -3.556 1.00 10.00 H new ATOM 0 HH21 ARG A 47 1.632 12.999 -2.371 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.890 14.268 -3.350 1.00 10.00 H new ATOM 335 N PHE A 48 -5.675 9.761 1.988 1.00 10.00 N ATOM 336 CA PHE A 48 -7.110 9.555 2.079 1.00 10.00 C ATOM 337 C PHE A 48 -7.633 10.063 3.415 1.00 10.00 C ATOM 338 O PHE A 48 -8.349 9.363 4.130 1.00 10.00 O ATOM 339 CB PHE A 48 -7.445 8.075 1.900 1.00 10.00 C ATOM 340 CG PHE A 48 -7.208 7.580 0.499 1.00 10.00 C ATOM 341 CD1 PHE A 48 -8.196 7.696 -0.467 1.00 10.00 C ATOM 342 CD2 PHE A 48 -5.993 7.013 0.146 1.00 10.00 C ATOM 343 CE1 PHE A 48 -7.974 7.255 -1.761 1.00 10.00 C ATOM 344 CE2 PHE A 48 -5.767 6.570 -1.143 1.00 10.00 C ATOM 345 CZ PHE A 48 -6.758 6.691 -2.099 1.00 10.00 C ATOM 0 H PHE A 48 -5.123 9.168 2.607 1.00 10.00 H new ATOM 0 HA PHE A 48 -7.595 10.118 1.282 1.00 10.00 H new ATOM 0 HB2 PHE A 48 -6.844 7.486 2.593 1.00 10.00 H new ATOM 0 HB3 PHE A 48 -8.489 7.911 2.165 1.00 10.00 H new ATOM 0 HD1 PHE A 48 -9.148 8.135 -0.208 1.00 10.00 H new ATOM 0 HD2 PHE A 48 -5.214 6.916 0.888 1.00 10.00 H new ATOM 0 HE1 PHE A 48 -8.750 7.352 -2.505 1.00 10.00 H new ATOM 0 HE2 PHE A 48 -4.816 6.129 -1.404 1.00 10.00 H new ATOM 0 HZ PHE A 48 -6.583 6.346 -3.107 1.00 10.00 H new ATOM 355 N GLY A 49 -7.256 11.291 3.748 1.00 10.00 N ATOM 356 CA GLY A 49 -7.681 11.894 5.001 1.00 10.00 C ATOM 357 C GLY A 49 -9.077 12.476 4.925 1.00 10.00 C ATOM 358 O GLY A 49 -9.734 12.659 5.948 1.00 10.00 O ATOM 0 H GLY A 49 -6.660 11.884 3.171 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -7.647 11.143 5.791 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -6.979 12.680 5.278 1.00 10.00 H new ATOM 362 N SER A 50 -9.536 12.771 3.716 1.00 10.00 N ATOM 363 CA SER A 50 -10.864 13.335 3.527 1.00 10.00 C ATOM 364 C SER A 50 -11.905 12.228 3.428 1.00 10.00 C ATOM 365 O SER A 50 -13.048 12.394 3.860 1.00 10.00 O ATOM 366 CB SER A 50 -10.891 14.197 2.266 1.00 10.00 C ATOM 367 OG SER A 50 -9.715 14.983 2.169 1.00 10.00 O ATOM 0 H SER A 50 -9.009 12.629 2.854 1.00 10.00 H new ATOM 0 HA SER A 50 -11.103 13.958 4.389 1.00 10.00 H new ATOM 0 HB2 SER A 50 -10.982 13.560 1.386 1.00 10.00 H new ATOM 0 HB3 SER A 50 -11.767 14.845 2.282 1.00 10.00 H new ATOM 0 HG SER A 50 -9.751 15.526 1.354 1.00 10.00 H new ATOM 373 N ASP A 51 -11.505 11.101 2.852 1.00 10.00 N ATOM 374 CA ASP A 51 -12.400 9.965 2.698 1.00 10.00 C ATOM 375 C ASP A 51 -11.888 8.764 3.487 1.00 10.00 C ATOM 376 O ASP A 51 -10.968 8.066 3.055 1.00 10.00 O ATOM 377 CB ASP A 51 -12.549 9.598 1.220 1.00 10.00 C ATOM 378 CG ASP A 51 -13.503 8.440 1.008 1.00 10.00 C ATOM 379 OD1 ASP A 51 -14.701 8.686 0.739 1.00 10.00 O ATOM 380 OD2 ASP A 51 -13.065 7.280 1.098 1.00 10.00 O ATOM 0 H ASP A 51 -10.566 10.951 2.484 1.00 10.00 H new ATOM 0 HA ASP A 51 -13.377 10.247 3.090 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -12.907 10.466 0.667 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -11.572 9.340 0.812 1.00 10.00 H new ATOM 385 N PRO A 52 -12.471 8.514 4.668 1.00 10.00 N ATOM 386 CA PRO A 52 -12.075 7.386 5.515 1.00 10.00 C ATOM 387 C PRO A 52 -12.591 6.055 4.982 1.00 10.00 C ATOM 388 O PRO A 52 -12.112 4.989 5.373 1.00 10.00 O ATOM 389 CB PRO A 52 -12.723 7.715 6.859 1.00 10.00 C ATOM 390 CG PRO A 52 -13.907 8.549 6.526 1.00 10.00 C ATOM 391 CD PRO A 52 -13.548 9.322 5.286 1.00 10.00 C ATOM 0 HA PRO A 52 -10.992 7.269 5.566 1.00 10.00 H new ATOM 0 HB2 PRO A 52 -13.016 6.808 7.387 1.00 10.00 H new ATOM 0 HB3 PRO A 52 -12.032 8.253 7.508 1.00 10.00 H new ATOM 0 HG2 PRO A 52 -14.785 7.926 6.355 1.00 10.00 H new ATOM 0 HG3 PRO A 52 -14.150 9.223 7.347 1.00 10.00 H new ATOM 0 HD2 PRO A 52 -14.403 9.427 4.618 1.00 10.00 H new ATOM 0 HD3 PRO A 52 -13.206 10.328 5.527 1.00 10.00 H new ATOM 399 N ALA A 53 -13.547 6.134 4.065 1.00 10.00 N ATOM 400 CA ALA A 53 -14.153 4.952 3.471 1.00 10.00 C ATOM 401 C ALA A 53 -13.121 4.134 2.704 1.00 10.00 C ATOM 402 O ALA A 53 -13.045 2.911 2.849 1.00 10.00 O ATOM 403 CB ALA A 53 -15.298 5.353 2.556 1.00 10.00 C ATOM 0 H ALA A 53 -13.922 7.015 3.714 1.00 10.00 H new ATOM 0 HA ALA A 53 -14.545 4.330 4.275 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -15.743 4.460 2.118 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -16.052 5.890 3.131 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -14.921 5.997 1.762 1.00 10.00 H new ATOM 409 N THR A 54 -12.326 4.817 1.888 1.00 10.00 N ATOM 410 CA THR A 54 -11.292 4.161 1.102 1.00 10.00 C ATOM 411 C THR A 54 -10.195 3.613 2.018 1.00 10.00 C ATOM 412 O THR A 54 -9.601 2.569 1.742 1.00 10.00 O ATOM 413 CB THR A 54 -10.688 5.124 0.055 1.00 10.00 C ATOM 414 OG1 THR A 54 -11.742 5.846 -0.603 1.00 10.00 O ATOM 415 CG2 THR A 54 -9.878 4.361 -0.983 1.00 10.00 C ATOM 0 H THR A 54 -12.379 5.827 1.755 1.00 10.00 H new ATOM 0 HA THR A 54 -11.752 3.330 0.567 1.00 10.00 H new ATOM 0 HB THR A 54 -10.026 5.819 0.572 1.00 10.00 H new ATOM 0 HG1 THR A 54 -11.966 6.645 -0.082 1.00 10.00 H new ATOM 0 HG21 THR A 54 -9.464 5.062 -1.708 1.00 10.00 H new ATOM 0 HG22 THR A 54 -9.066 3.827 -0.490 1.00 10.00 H new ATOM 0 HG23 THR A 54 -10.523 3.648 -1.495 1.00 10.00 H new ATOM 423 N TYR A 55 -9.953 4.310 3.122 1.00 10.00 N ATOM 424 CA TYR A 55 -8.942 3.890 4.085 1.00 10.00 C ATOM 425 C TYR A 55 -9.387 2.613 4.787 1.00 10.00 C ATOM 426 O TYR A 55 -8.602 1.682 4.961 1.00 10.00 O ATOM 427 CB TYR A 55 -8.682 5.002 5.108 1.00 10.00 C ATOM 428 CG TYR A 55 -7.622 4.662 6.142 1.00 10.00 C ATOM 429 CD1 TYR A 55 -6.270 4.717 5.822 1.00 10.00 C ATOM 430 CD2 TYR A 55 -7.971 4.287 7.437 1.00 10.00 C ATOM 431 CE1 TYR A 55 -5.301 4.404 6.756 1.00 10.00 C ATOM 432 CE2 TYR A 55 -7.007 3.975 8.377 1.00 10.00 C ATOM 433 CZ TYR A 55 -5.673 4.035 8.031 1.00 10.00 C ATOM 434 OH TYR A 55 -4.709 3.723 8.965 1.00 10.00 O ATOM 0 H TYR A 55 -10.443 5.169 3.373 1.00 10.00 H new ATOM 0 HA TYR A 55 -8.012 3.690 3.552 1.00 10.00 H new ATOM 0 HB2 TYR A 55 -8.380 5.905 4.577 1.00 10.00 H new ATOM 0 HB3 TYR A 55 -9.615 5.232 5.623 1.00 10.00 H new ATOM 0 HD1 TYR A 55 -5.972 5.009 4.826 1.00 10.00 H new ATOM 0 HD2 TYR A 55 -9.014 4.239 7.712 1.00 10.00 H new ATOM 0 HE1 TYR A 55 -4.256 4.448 6.488 1.00 10.00 H new ATOM 0 HE2 TYR A 55 -7.296 3.686 9.377 1.00 10.00 H new ATOM 0 HH TYR A 55 -5.140 3.485 9.813 1.00 10.00 H new ATOM 444 N ASN A 56 -10.659 2.580 5.181 1.00 10.00 N ATOM 445 CA ASN A 56 -11.230 1.418 5.857 1.00 10.00 C ATOM 446 C ASN A 56 -11.188 0.210 4.937 1.00 10.00 C ATOM 447 O ASN A 56 -10.882 -0.903 5.367 1.00 10.00 O ATOM 448 CB ASN A 56 -12.672 1.687 6.292 1.00 10.00 C ATOM 449 CG ASN A 56 -12.762 2.532 7.550 1.00 10.00 C ATOM 450 OD1 ASN A 56 -11.835 2.558 8.360 1.00 10.00 O ATOM 451 ND2 ASN A 56 -13.880 3.221 7.729 1.00 10.00 N ATOM 0 H ASN A 56 -11.315 3.348 5.043 1.00 10.00 H new ATOM 0 HA ASN A 56 -10.635 1.218 6.748 1.00 10.00 H new ATOM 0 HB2 ASN A 56 -13.202 2.191 5.484 1.00 10.00 H new ATOM 0 HB3 ASN A 56 -13.178 0.737 6.462 1.00 10.00 H new ATOM 0 HD21 ASN A 56 -13.995 3.799 8.561 1.00 10.00 H new ATOM 0 HD22 ASN A 56 -14.625 3.173 7.034 1.00 10.00 H new ATOM 458 N GLY A 57 -11.476 0.442 3.663 1.00 10.00 N ATOM 459 CA GLY A 57 -11.447 -0.631 2.692 1.00 10.00 C ATOM 460 C GLY A 57 -10.048 -1.179 2.505 1.00 10.00 C ATOM 461 O GLY A 57 -9.866 -2.375 2.289 1.00 10.00 O ATOM 0 H GLY A 57 -11.729 1.355 3.286 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -12.112 -1.432 3.015 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -11.826 -0.268 1.737 1.00 10.00 H new ATOM 465 N PHE A 58 -9.059 -0.300 2.608 1.00 10.00 N ATOM 466 CA PHE A 58 -7.662 -0.690 2.465 1.00 10.00 C ATOM 467 C PHE A 58 -7.260 -1.673 3.568 1.00 10.00 C ATOM 468 O PHE A 58 -6.542 -2.648 3.323 1.00 10.00 O ATOM 469 CB PHE A 58 -6.771 0.555 2.512 1.00 10.00 C ATOM 470 CG PHE A 58 -5.315 0.274 2.277 1.00 10.00 C ATOM 471 CD1 PHE A 58 -4.406 0.320 3.321 1.00 10.00 C ATOM 472 CD2 PHE A 58 -4.858 -0.036 1.008 1.00 10.00 C ATOM 473 CE1 PHE A 58 -3.068 0.061 3.100 1.00 10.00 C ATOM 474 CE2 PHE A 58 -3.522 -0.294 0.784 1.00 10.00 C ATOM 475 CZ PHE A 58 -2.628 -0.245 1.831 1.00 10.00 C ATOM 0 H PHE A 58 -9.200 0.693 2.791 1.00 10.00 H new ATOM 0 HA PHE A 58 -7.533 -1.187 1.503 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -7.119 1.266 1.763 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -6.886 1.035 3.484 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -4.747 0.561 4.317 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -5.555 -0.076 0.184 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.367 0.098 3.921 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -3.177 -0.534 -0.211 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.581 -0.447 1.657 1.00 10.00 H new ATOM 485 N LEU A 59 -7.756 -1.425 4.774 1.00 10.00 N ATOM 486 CA LEU A 59 -7.464 -2.278 5.924 1.00 10.00 C ATOM 487 C LEU A 59 -8.040 -3.675 5.711 1.00 10.00 C ATOM 488 O LEU A 59 -7.452 -4.676 6.128 1.00 10.00 O ATOM 489 CB LEU A 59 -8.046 -1.666 7.202 1.00 10.00 C ATOM 490 CG LEU A 59 -7.678 -0.205 7.466 1.00 10.00 C ATOM 491 CD1 LEU A 59 -8.513 0.352 8.612 1.00 10.00 C ATOM 492 CD2 LEU A 59 -6.189 -0.067 7.759 1.00 10.00 C ATOM 0 H LEU A 59 -8.366 -0.635 4.984 1.00 10.00 H new ATOM 0 HA LEU A 59 -6.382 -2.355 6.028 1.00 10.00 H new ATOM 0 HB2 LEU A 59 -9.132 -1.746 7.159 1.00 10.00 H new ATOM 0 HB3 LEU A 59 -7.716 -2.264 8.052 1.00 10.00 H new ATOM 0 HG LEU A 59 -7.897 0.375 6.569 1.00 10.00 H new ATOM 0 HD11 LEU A 59 -8.240 1.392 8.789 1.00 10.00 H new ATOM 0 HD12 LEU A 59 -9.570 0.293 8.354 1.00 10.00 H new ATOM 0 HD13 LEU A 59 -8.327 -0.230 9.514 1.00 10.00 H new ATOM 0 HD21 LEU A 59 -5.950 0.980 7.944 1.00 10.00 H new ATOM 0 HD22 LEU A 59 -5.935 -0.658 8.639 1.00 10.00 H new ATOM 0 HD23 LEU A 59 -5.615 -0.425 6.904 1.00 10.00 H new ATOM 504 N GLU A 60 -9.187 -3.729 5.045 1.00 10.00 N ATOM 505 CA GLU A 60 -9.855 -4.991 4.760 1.00 10.00 C ATOM 506 C GLU A 60 -9.039 -5.823 3.779 1.00 10.00 C ATOM 507 O GLU A 60 -8.981 -7.045 3.896 1.00 10.00 O ATOM 508 CB GLU A 60 -11.254 -4.743 4.201 1.00 10.00 C ATOM 509 CG GLU A 60 -12.276 -4.328 5.249 1.00 10.00 C ATOM 510 CD GLU A 60 -12.576 -5.431 6.242 1.00 10.00 C ATOM 511 OE1 GLU A 60 -12.752 -6.587 5.810 1.00 10.00 O ATOM 512 OE2 GLU A 60 -12.645 -5.142 7.456 1.00 10.00 O ATOM 0 H GLU A 60 -9.676 -2.907 4.690 1.00 10.00 H new ATOM 0 HA GLU A 60 -9.945 -5.545 5.694 1.00 10.00 H new ATOM 0 HB2 GLU A 60 -11.196 -3.967 3.438 1.00 10.00 H new ATOM 0 HB3 GLU A 60 -11.603 -5.650 3.708 1.00 10.00 H new ATOM 0 HG2 GLU A 60 -11.907 -3.453 5.784 1.00 10.00 H new ATOM 0 HG3 GLU A 60 -13.200 -4.031 4.752 1.00 10.00 H new ATOM 519 N ILE A 61 -8.411 -5.157 2.817 1.00 10.00 N ATOM 520 CA ILE A 61 -7.587 -5.845 1.829 1.00 10.00 C ATOM 521 C ILE A 61 -6.382 -6.491 2.510 1.00 10.00 C ATOM 522 O ILE A 61 -5.990 -7.614 2.183 1.00 10.00 O ATOM 523 CB ILE A 61 -7.096 -4.879 0.731 1.00 10.00 C ATOM 524 CG1 ILE A 61 -8.284 -4.196 0.050 1.00 10.00 C ATOM 525 CG2 ILE A 61 -6.246 -5.616 -0.295 1.00 10.00 C ATOM 526 CD1 ILE A 61 -7.888 -3.085 -0.900 1.00 10.00 C ATOM 0 H ILE A 61 -8.456 -4.145 2.700 1.00 10.00 H new ATOM 0 HA ILE A 61 -8.204 -6.612 1.361 1.00 10.00 H new ATOM 0 HB ILE A 61 -6.478 -4.114 1.200 1.00 10.00 H new ATOM 0 HG12 ILE A 61 -8.856 -4.944 -0.499 1.00 10.00 H new ATOM 0 HG13 ILE A 61 -8.945 -3.789 0.815 1.00 10.00 H new ATOM 0 HG21 ILE A 61 -5.910 -4.916 -1.060 1.00 10.00 H new ATOM 0 HG22 ILE A 61 -5.380 -6.056 0.199 1.00 10.00 H new ATOM 0 HG23 ILE A 61 -6.838 -6.404 -0.759 1.00 10.00 H new ATOM 0 HD11 ILE A 61 -8.783 -2.649 -1.344 1.00 10.00 H new ATOM 0 HD12 ILE A 61 -7.343 -2.316 -0.353 1.00 10.00 H new ATOM 0 HD13 ILE A 61 -7.252 -3.489 -1.688 1.00 10.00 H new ATOM 538 N MET A 62 -5.810 -5.768 3.470 1.00 10.00 N ATOM 539 CA MET A 62 -4.662 -6.262 4.222 1.00 10.00 C ATOM 540 C MET A 62 -5.047 -7.501 5.025 1.00 10.00 C ATOM 541 O MET A 62 -4.226 -8.395 5.242 1.00 10.00 O ATOM 542 CB MET A 62 -4.120 -5.174 5.152 1.00 10.00 C ATOM 543 CG MET A 62 -2.858 -4.492 4.637 1.00 10.00 C ATOM 544 SD MET A 62 -1.376 -4.989 5.544 1.00 10.00 S ATOM 545 CE MET A 62 -1.117 -6.648 4.907 1.00 10.00 C ATOM 0 H MET A 62 -6.124 -4.837 3.745 1.00 10.00 H new ATOM 0 HA MET A 62 -3.878 -6.534 3.515 1.00 10.00 H new ATOM 0 HB2 MET A 62 -4.893 -4.420 5.302 1.00 10.00 H new ATOM 0 HB3 MET A 62 -3.911 -5.614 6.127 1.00 10.00 H new ATOM 0 HG2 MET A 62 -2.728 -4.727 3.581 1.00 10.00 H new ATOM 0 HG3 MET A 62 -2.978 -3.411 4.710 1.00 10.00 H new ATOM 0 HE1 MET A 62 -0.187 -7.051 5.308 1.00 10.00 H new ATOM 0 HE2 MET A 62 -1.948 -7.287 5.207 1.00 10.00 H new ATOM 0 HE3 MET A 62 -1.059 -6.615 3.819 1.00 10.00 H new ATOM 555 N LYS A 63 -6.306 -7.554 5.449 1.00 10.00 N ATOM 556 CA LYS A 63 -6.807 -8.692 6.208 1.00 10.00 C ATOM 557 C LYS A 63 -6.739 -9.948 5.359 1.00 10.00 C ATOM 558 O LYS A 63 -6.290 -10.998 5.815 1.00 10.00 O ATOM 559 CB LYS A 63 -8.253 -8.469 6.648 1.00 10.00 C ATOM 560 CG LYS A 63 -8.427 -7.418 7.731 1.00 10.00 C ATOM 561 CD LYS A 63 -9.895 -7.280 8.109 1.00 10.00 C ATOM 562 CE LYS A 63 -10.080 -6.403 9.336 1.00 10.00 C ATOM 563 NZ LYS A 63 -11.514 -6.163 9.647 1.00 10.00 N ATOM 0 H LYS A 63 -6.996 -6.822 5.280 1.00 10.00 H new ATOM 0 HA LYS A 63 -6.183 -8.803 7.095 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -8.843 -8.178 5.779 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -8.660 -9.414 7.008 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -7.843 -7.693 8.610 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -8.044 -6.460 7.381 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -10.448 -6.855 7.271 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -10.316 -8.267 8.301 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -9.599 -6.875 10.193 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.580 -5.448 9.176 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -11.591 -5.467 10.416 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -11.996 -5.799 8.801 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -11.959 -7.055 9.942 1.00 10.00 H new ATOM 577 N GLU A 64 -7.174 -9.822 4.112 1.00 10.00 N ATOM 578 CA GLU A 64 -7.172 -10.937 3.177 1.00 10.00 C ATOM 579 C GLU A 64 -5.747 -11.448 2.950 1.00 10.00 C ATOM 580 O GLU A 64 -5.529 -12.653 2.791 1.00 10.00 O ATOM 581 CB GLU A 64 -7.806 -10.509 1.853 1.00 10.00 C ATOM 582 CG GLU A 64 -9.168 -9.855 2.023 1.00 10.00 C ATOM 583 CD GLU A 64 -9.778 -9.421 0.707 1.00 10.00 C ATOM 584 OE1 GLU A 64 -10.439 -10.254 0.048 1.00 10.00 O ATOM 585 OE2 GLU A 64 -9.611 -8.245 0.328 1.00 10.00 O ATOM 0 H GLU A 64 -7.535 -8.951 3.723 1.00 10.00 H new ATOM 0 HA GLU A 64 -7.760 -11.751 3.601 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.137 -9.813 1.346 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -7.907 -11.382 1.208 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.842 -10.554 2.518 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -9.071 -8.988 2.677 1.00 10.00 H new ATOM 592 N PHE A 65 -4.778 -10.534 2.952 1.00 10.00 N ATOM 593 CA PHE A 65 -3.380 -10.903 2.764 1.00 10.00 C ATOM 594 C PHE A 65 -2.861 -11.655 3.987 1.00 10.00 C ATOM 595 O PHE A 65 -2.214 -12.695 3.860 1.00 10.00 O ATOM 596 CB PHE A 65 -2.531 -9.658 2.506 1.00 10.00 C ATOM 597 CG PHE A 65 -1.141 -9.968 2.026 1.00 10.00 C ATOM 598 CD1 PHE A 65 -0.042 -9.739 2.841 1.00 10.00 C ATOM 599 CD2 PHE A 65 -0.936 -10.490 0.762 1.00 10.00 C ATOM 600 CE1 PHE A 65 1.235 -10.026 2.398 1.00 10.00 C ATOM 601 CE2 PHE A 65 0.337 -10.780 0.314 1.00 10.00 C ATOM 602 CZ PHE A 65 1.426 -10.547 1.133 1.00 10.00 C ATOM 0 H PHE A 65 -4.937 -9.535 3.082 1.00 10.00 H new ATOM 0 HA PHE A 65 -3.308 -11.558 1.896 1.00 10.00 H new ATOM 0 HB2 PHE A 65 -3.032 -9.034 1.766 1.00 10.00 H new ATOM 0 HB3 PHE A 65 -2.468 -9.075 3.425 1.00 10.00 H new ATOM 0 HD1 PHE A 65 -0.186 -9.333 3.831 1.00 10.00 H new ATOM 0 HD2 PHE A 65 -1.783 -10.673 0.117 1.00 10.00 H new ATOM 0 HE1 PHE A 65 2.084 -9.843 3.041 1.00 10.00 H new ATOM 0 HE2 PHE A 65 0.482 -11.188 -0.675 1.00 10.00 H new ATOM 0 HZ PHE A 65 2.423 -10.772 0.785 1.00 10.00 H new ATOM 612 N LYS A 66 -3.167 -11.134 5.171 1.00 10.00 N ATOM 613 CA LYS A 66 -2.740 -11.759 6.421 1.00 10.00 C ATOM 614 C LYS A 66 -3.436 -13.100 6.625 1.00 10.00 C ATOM 615 O LYS A 66 -2.890 -14.009 7.248 1.00 10.00 O ATOM 616 CB LYS A 66 -3.038 -10.840 7.606 1.00 10.00 C ATOM 617 CG LYS A 66 -2.225 -9.553 7.602 1.00 10.00 C ATOM 618 CD LYS A 66 -2.737 -8.565 8.635 1.00 10.00 C ATOM 619 CE LYS A 66 -2.700 -9.151 10.039 1.00 10.00 C ATOM 620 NZ LYS A 66 -3.406 -8.297 11.028 1.00 10.00 N ATOM 0 H LYS A 66 -3.710 -10.279 5.293 1.00 10.00 H new ATOM 0 HA LYS A 66 -1.665 -11.929 6.360 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -4.099 -10.589 7.602 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -2.842 -11.380 8.532 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -1.179 -9.782 7.804 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -2.266 -9.099 6.612 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -2.133 -7.658 8.603 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -3.759 -8.276 8.388 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -3.155 -10.142 10.028 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -1.663 -9.280 10.349 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -3.353 -8.738 11.968 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -2.957 -7.359 11.060 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -4.403 -8.195 10.749 1.00 10.00 H new ATOM 634 N SER A 67 -4.647 -13.209 6.094 1.00 10.00 N ATOM 635 CA SER A 67 -5.434 -14.432 6.191 1.00 10.00 C ATOM 636 C SER A 67 -4.961 -15.448 5.150 1.00 10.00 C ATOM 637 O SER A 67 -5.458 -16.571 5.101 1.00 10.00 O ATOM 638 CB SER A 67 -6.917 -14.122 5.973 1.00 10.00 C ATOM 639 OG SER A 67 -7.747 -15.014 6.699 1.00 10.00 O ATOM 0 H SER A 67 -5.110 -12.456 5.586 1.00 10.00 H new ATOM 0 HA SER A 67 -5.300 -14.854 7.187 1.00 10.00 H new ATOM 0 HB2 SER A 67 -7.125 -13.097 6.282 1.00 10.00 H new ATOM 0 HB3 SER A 67 -7.151 -14.189 4.911 1.00 10.00 H new ATOM 0 HG SER A 67 -8.687 -14.789 6.540 1.00 10.00 H new ATOM 645 N GLN A 68 -4.001 -15.028 4.324 1.00 10.00 N ATOM 646 CA GLN A 68 -3.429 -15.872 3.273 1.00 10.00 C ATOM 647 C GLN A 68 -4.475 -16.247 2.224 1.00 10.00 C ATOM 648 O GLN A 68 -4.406 -17.311 1.604 1.00 10.00 O ATOM 649 CB GLN A 68 -2.793 -17.132 3.876 1.00 10.00 C ATOM 650 CG GLN A 68 -1.643 -16.835 4.824 1.00 10.00 C ATOM 651 CD GLN A 68 -0.929 -18.089 5.271 1.00 10.00 C ATOM 652 OE1 GLN A 68 0.012 -18.548 4.623 1.00 10.00 O ATOM 653 NE2 GLN A 68 -1.374 -18.656 6.380 1.00 10.00 N ATOM 0 H GLN A 68 -3.598 -14.092 4.365 1.00 10.00 H new ATOM 0 HA GLN A 68 -2.651 -15.295 2.773 1.00 10.00 H new ATOM 0 HB2 GLN A 68 -3.558 -17.696 4.410 1.00 10.00 H new ATOM 0 HB3 GLN A 68 -2.433 -17.770 3.069 1.00 10.00 H new ATOM 0 HG2 GLN A 68 -0.932 -16.171 4.332 1.00 10.00 H new ATOM 0 HG3 GLN A 68 -2.023 -16.305 5.697 1.00 10.00 H new ATOM 0 HE21 GLN A 68 -2.157 -18.242 6.886 1.00 10.00 H new ATOM 0 HE22 GLN A 68 -0.934 -19.507 6.729 1.00 10.00 H new ATOM 662 N SER A 69 -5.429 -15.355 2.008 1.00 10.00 N ATOM 663 CA SER A 69 -6.473 -15.583 1.028 1.00 10.00 C ATOM 664 C SER A 69 -6.045 -15.020 -0.320 1.00 10.00 C ATOM 665 O SER A 69 -6.564 -15.413 -1.364 1.00 10.00 O ATOM 666 CB SER A 69 -7.772 -14.930 1.485 1.00 10.00 C ATOM 667 OG SER A 69 -8.034 -15.216 2.851 1.00 10.00 O ATOM 0 H SER A 69 -5.500 -14.465 2.501 1.00 10.00 H new ATOM 0 HA SER A 69 -6.640 -16.655 0.927 1.00 10.00 H new ATOM 0 HB2 SER A 69 -7.711 -13.851 1.341 1.00 10.00 H new ATOM 0 HB3 SER A 69 -8.598 -15.287 0.870 1.00 10.00 H new ATOM 0 HG SER A 69 -8.872 -14.785 3.121 1.00 10.00 H new ATOM 673 N ILE A 70 -5.095 -14.097 -0.285 1.00 10.00 N ATOM 674 CA ILE A 70 -4.573 -13.481 -1.492 1.00 10.00 C ATOM 675 C ILE A 70 -3.051 -13.429 -1.421 1.00 10.00 C ATOM 676 O ILE A 70 -2.482 -13.365 -0.330 1.00 10.00 O ATOM 677 CB ILE A 70 -5.119 -12.046 -1.713 1.00 10.00 C ATOM 678 CG1 ILE A 70 -4.927 -11.191 -0.455 1.00 10.00 C ATOM 679 CG2 ILE A 70 -6.586 -12.079 -2.120 1.00 10.00 C ATOM 680 CD1 ILE A 70 -5.238 -9.725 -0.666 1.00 10.00 C ATOM 0 H ILE A 70 -4.668 -13.757 0.576 1.00 10.00 H new ATOM 0 HA ILE A 70 -4.901 -14.093 -2.333 1.00 10.00 H new ATOM 0 HB ILE A 70 -4.551 -11.592 -2.525 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -5.566 -11.579 0.339 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -3.897 -11.290 -0.112 1.00 10.00 H new ATOM 0 HG21 ILE A 70 -6.945 -11.061 -2.269 1.00 10.00 H new ATOM 0 HG22 ILE A 70 -6.694 -12.641 -3.048 1.00 10.00 H new ATOM 0 HG23 ILE A 70 -7.171 -12.559 -1.335 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -5.080 -9.182 0.266 1.00 10.00 H new ATOM 0 HD12 ILE A 70 -4.582 -9.321 -1.437 1.00 10.00 H new ATOM 0 HD13 ILE A 70 -6.276 -9.615 -0.979 1.00 10.00 H new ATOM 692 N ASP A 71 -2.401 -13.471 -2.575 1.00 10.00 N ATOM 693 CA ASP A 71 -0.946 -13.425 -2.637 1.00 10.00 C ATOM 694 C ASP A 71 -0.493 -12.070 -3.161 1.00 10.00 C ATOM 695 O ASP A 71 -1.282 -11.121 -3.194 1.00 10.00 O ATOM 696 CB ASP A 71 -0.409 -14.553 -3.525 1.00 10.00 C ATOM 697 CG ASP A 71 -0.482 -15.912 -2.853 1.00 10.00 C ATOM 698 OD1 ASP A 71 0.249 -16.131 -1.864 1.00 10.00 O ATOM 699 OD2 ASP A 71 -1.261 -16.772 -3.314 1.00 10.00 O ATOM 0 H ASP A 71 -2.859 -13.537 -3.484 1.00 10.00 H new ATOM 0 HA ASP A 71 -0.546 -13.565 -1.633 1.00 10.00 H new ATOM 0 HB2 ASP A 71 -0.978 -14.581 -4.454 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.626 -14.339 -3.791 1.00 10.00 H new ATOM 704 N THR A 72 0.772 -11.992 -3.571 1.00 10.00 N ATOM 705 CA THR A 72 1.361 -10.766 -4.099 1.00 10.00 C ATOM 706 C THR A 72 0.486 -10.111 -5.180 1.00 10.00 C ATOM 707 O THR A 72 0.100 -8.951 -5.032 1.00 10.00 O ATOM 708 CB THR A 72 2.772 -11.038 -4.665 1.00 10.00 C ATOM 709 OG1 THR A 72 3.394 -12.114 -3.941 1.00 10.00 O ATOM 710 CG2 THR A 72 3.642 -9.796 -4.580 1.00 10.00 C ATOM 0 H THR A 72 1.418 -12.781 -3.546 1.00 10.00 H new ATOM 0 HA THR A 72 1.431 -10.069 -3.264 1.00 10.00 H new ATOM 0 HB THR A 72 2.668 -11.316 -5.714 1.00 10.00 H new ATOM 0 HG1 THR A 72 4.287 -12.281 -4.307 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.630 -10.015 -4.985 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.184 -8.991 -5.155 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.737 -9.489 -3.538 1.00 10.00 H new ATOM 718 N PRO A 73 0.138 -10.826 -6.274 1.00 10.00 N ATOM 719 CA PRO A 73 -0.694 -10.249 -7.342 1.00 10.00 C ATOM 720 C PRO A 73 -2.115 -9.936 -6.879 1.00 10.00 C ATOM 721 O PRO A 73 -2.763 -9.023 -7.387 1.00 10.00 O ATOM 722 CB PRO A 73 -0.709 -11.342 -8.408 1.00 10.00 C ATOM 723 CG PRO A 73 -0.427 -12.607 -7.674 1.00 10.00 C ATOM 724 CD PRO A 73 0.522 -12.226 -6.580 1.00 10.00 C ATOM 0 HA PRO A 73 -0.298 -9.295 -7.691 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -1.674 -11.386 -8.913 1.00 10.00 H new ATOM 0 HB3 PRO A 73 0.043 -11.155 -9.174 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.342 -13.039 -7.268 1.00 10.00 H new ATOM 0 HG3 PRO A 73 0.013 -13.355 -8.334 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.414 -12.873 -5.709 1.00 10.00 H new ATOM 0 HD3 PRO A 73 1.560 -12.298 -6.904 1.00 10.00 H new ATOM 732 N GLY A 74 -2.584 -10.696 -5.902 1.00 10.00 N ATOM 733 CA GLY A 74 -3.921 -10.506 -5.386 1.00 10.00 C ATOM 734 C GLY A 74 -4.088 -9.199 -4.635 1.00 10.00 C ATOM 735 O GLY A 74 -4.995 -8.418 -4.932 1.00 10.00 O ATOM 0 H GLY A 74 -2.057 -11.446 -5.455 1.00 10.00 H new ATOM 0 HA2 GLY A 74 -4.631 -10.537 -6.213 1.00 10.00 H new ATOM 0 HA3 GLY A 74 -4.169 -11.334 -4.722 1.00 10.00 H new ATOM 739 N VAL A 75 -3.205 -8.948 -3.673 1.00 10.00 N ATOM 740 CA VAL A 75 -3.269 -7.729 -2.875 1.00 10.00 C ATOM 741 C VAL A 75 -3.030 -6.492 -3.740 1.00 10.00 C ATOM 742 O VAL A 75 -3.726 -5.483 -3.605 1.00 10.00 O ATOM 743 CB VAL A 75 -2.273 -7.766 -1.683 1.00 10.00 C ATOM 744 CG1 VAL A 75 -0.850 -8.018 -2.153 1.00 10.00 C ATOM 745 CG2 VAL A 75 -2.358 -6.486 -0.870 1.00 10.00 C ATOM 0 H VAL A 75 -2.437 -9.573 -3.428 1.00 10.00 H new ATOM 0 HA VAL A 75 -4.276 -7.669 -2.461 1.00 10.00 H new ATOM 0 HB VAL A 75 -2.558 -8.599 -1.040 1.00 10.00 H new ATOM 0 HG11 VAL A 75 -0.181 -8.037 -1.293 1.00 10.00 H new ATOM 0 HG12 VAL A 75 -0.802 -8.976 -2.672 1.00 10.00 H new ATOM 0 HG13 VAL A 75 -0.545 -7.222 -2.832 1.00 10.00 H new ATOM 0 HG21 VAL A 75 -1.652 -6.534 -0.041 1.00 10.00 H new ATOM 0 HG22 VAL A 75 -2.114 -5.635 -1.505 1.00 10.00 H new ATOM 0 HG23 VAL A 75 -3.369 -6.369 -0.480 1.00 10.00 H new ATOM 755 N ILE A 76 -2.077 -6.588 -4.660 1.00 10.00 N ATOM 756 CA ILE A 76 -1.756 -5.472 -5.543 1.00 10.00 C ATOM 757 C ILE A 76 -2.958 -5.112 -6.415 1.00 10.00 C ATOM 758 O ILE A 76 -3.311 -3.937 -6.538 1.00 10.00 O ATOM 759 CB ILE A 76 -0.531 -5.782 -6.437 1.00 10.00 C ATOM 760 CG1 ILE A 76 0.739 -5.863 -5.583 1.00 10.00 C ATOM 761 CG2 ILE A 76 -0.367 -4.724 -7.524 1.00 10.00 C ATOM 762 CD1 ILE A 76 1.950 -6.383 -6.333 1.00 10.00 C ATOM 0 H ILE A 76 -1.514 -7.425 -4.814 1.00 10.00 H new ATOM 0 HA ILE A 76 -1.505 -4.621 -4.910 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.697 -6.745 -6.921 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.965 -4.872 -5.190 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.549 -6.510 -4.726 1.00 10.00 H new ATOM 0 HG21 ILE A 76 0.501 -4.965 -8.138 1.00 10.00 H new ATOM 0 HG22 ILE A 76 -1.260 -4.703 -8.149 1.00 10.00 H new ATOM 0 HG23 ILE A 76 -0.225 -3.747 -7.062 1.00 10.00 H new ATOM 0 HD11 ILE A 76 2.809 -6.411 -5.662 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.745 -7.388 -6.703 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.168 -5.724 -7.174 1.00 10.00 H new ATOM 774 N ARG A 77 -3.602 -6.128 -6.983 1.00 10.00 N ATOM 775 CA ARG A 77 -4.762 -5.922 -7.844 1.00 10.00 C ATOM 776 C ARG A 77 -5.901 -5.254 -7.075 1.00 10.00 C ATOM 777 O ARG A 77 -6.510 -4.299 -7.562 1.00 10.00 O ATOM 778 CB ARG A 77 -5.225 -7.257 -8.434 1.00 10.00 C ATOM 779 CG ARG A 77 -6.310 -7.118 -9.482 1.00 10.00 C ATOM 780 CD ARG A 77 -6.472 -8.402 -10.283 1.00 10.00 C ATOM 781 NE ARG A 77 -6.584 -9.586 -9.416 1.00 10.00 N ATOM 782 CZ ARG A 77 -7.615 -10.436 -9.441 1.00 10.00 C ATOM 783 NH1 ARG A 77 -8.619 -10.255 -10.289 1.00 10.00 N ATOM 784 NH2 ARG A 77 -7.643 -11.464 -8.606 1.00 10.00 N ATOM 0 H ARG A 77 -3.338 -7.106 -6.861 1.00 10.00 H new ATOM 0 HA ARG A 77 -4.471 -5.259 -8.659 1.00 10.00 H new ATOM 0 HB2 ARG A 77 -4.368 -7.765 -8.877 1.00 10.00 H new ATOM 0 HB3 ARG A 77 -5.591 -7.893 -7.628 1.00 10.00 H new ATOM 0 HG2 ARG A 77 -7.254 -6.866 -9.000 1.00 10.00 H new ATOM 0 HG3 ARG A 77 -6.066 -6.296 -10.154 1.00 10.00 H new ATOM 0 HD2 ARG A 77 -7.360 -8.328 -10.910 1.00 10.00 H new ATOM 0 HD3 ARG A 77 -5.619 -8.522 -10.951 1.00 10.00 H new ATOM 0 HE ARG A 77 -5.828 -9.769 -8.756 1.00 10.00 H new ATOM 0 HH11 ARG A 77 -8.609 -9.461 -10.930 1.00 10.00 H new ATOM 0 HH12 ARG A 77 -9.401 -10.909 -10.300 1.00 10.00 H new ATOM 0 HH21 ARG A 77 -6.879 -11.606 -7.946 1.00 10.00 H new ATOM 0 HH22 ARG A 77 -8.429 -12.114 -8.623 1.00 10.00 H new ATOM 798 N ARG A 78 -6.171 -5.749 -5.868 1.00 10.00 N ATOM 799 CA ARG A 78 -7.238 -5.203 -5.031 1.00 10.00 C ATOM 800 C ARG A 78 -7.019 -3.715 -4.762 1.00 10.00 C ATOM 801 O ARG A 78 -7.919 -2.897 -4.953 1.00 10.00 O ATOM 802 CB ARG A 78 -7.322 -5.968 -3.705 1.00 10.00 C ATOM 803 CG ARG A 78 -8.163 -7.232 -3.779 1.00 10.00 C ATOM 804 CD ARG A 78 -9.639 -6.922 -3.585 1.00 10.00 C ATOM 805 NE ARG A 78 -10.021 -6.924 -2.170 1.00 10.00 N ATOM 806 CZ ARG A 78 -10.878 -6.064 -1.616 1.00 10.00 C ATOM 807 NH1 ARG A 78 -11.460 -5.118 -2.348 1.00 10.00 N ATOM 808 NH2 ARG A 78 -11.155 -6.164 -0.323 1.00 10.00 N ATOM 0 H ARG A 78 -5.665 -6.528 -5.448 1.00 10.00 H new ATOM 0 HA ARG A 78 -8.179 -5.320 -5.569 1.00 10.00 H new ATOM 0 HB2 ARG A 78 -6.314 -6.231 -3.384 1.00 10.00 H new ATOM 0 HB3 ARG A 78 -7.738 -5.310 -2.942 1.00 10.00 H new ATOM 0 HG2 ARG A 78 -8.014 -7.715 -4.745 1.00 10.00 H new ATOM 0 HG3 ARG A 78 -7.833 -7.937 -3.016 1.00 10.00 H new ATOM 0 HD2 ARG A 78 -9.865 -5.948 -4.020 1.00 10.00 H new ATOM 0 HD3 ARG A 78 -10.237 -7.658 -4.123 1.00 10.00 H new ATOM 0 HE ARG A 78 -9.603 -7.632 -1.567 1.00 10.00 H new ATOM 0 HH11 ARG A 78 -11.253 -5.044 -3.344 1.00 10.00 H new ATOM 0 HH12 ARG A 78 -12.113 -4.466 -1.913 1.00 10.00 H new ATOM 0 HH21 ARG A 78 -10.714 -6.893 0.238 1.00 10.00 H new ATOM 0 HH22 ARG A 78 -11.809 -5.512 0.110 1.00 10.00 H new ATOM 822 N VAL A 79 -5.809 -3.372 -4.343 1.00 10.00 N ATOM 823 CA VAL A 79 -5.463 -1.986 -4.050 1.00 10.00 C ATOM 824 C VAL A 79 -5.433 -1.147 -5.327 1.00 10.00 C ATOM 825 O VAL A 79 -5.819 0.022 -5.320 1.00 10.00 O ATOM 826 CB VAL A 79 -4.101 -1.892 -3.328 1.00 10.00 C ATOM 827 CG1 VAL A 79 -3.713 -0.445 -3.074 1.00 10.00 C ATOM 828 CG2 VAL A 79 -4.147 -2.669 -2.026 1.00 10.00 C ATOM 0 H VAL A 79 -5.048 -4.035 -4.198 1.00 10.00 H new ATOM 0 HA VAL A 79 -6.234 -1.590 -3.389 1.00 10.00 H new ATOM 0 HB VAL A 79 -3.341 -2.331 -3.974 1.00 10.00 H new ATOM 0 HG11 VAL A 79 -2.750 -0.411 -2.565 1.00 10.00 H new ATOM 0 HG12 VAL A 79 -3.640 0.084 -4.024 1.00 10.00 H new ATOM 0 HG13 VAL A 79 -4.470 0.031 -2.451 1.00 10.00 H new ATOM 0 HG21 VAL A 79 -3.182 -2.596 -1.525 1.00 10.00 H new ATOM 0 HG22 VAL A 79 -4.923 -2.254 -1.382 1.00 10.00 H new ATOM 0 HG23 VAL A 79 -4.370 -3.715 -2.234 1.00 10.00 H new ATOM 838 N SER A 80 -5.005 -1.756 -6.425 1.00 10.00 N ATOM 839 CA SER A 80 -4.925 -1.065 -7.705 1.00 10.00 C ATOM 840 C SER A 80 -6.302 -0.590 -8.172 1.00 10.00 C ATOM 841 O SER A 80 -6.418 0.423 -8.860 1.00 10.00 O ATOM 842 CB SER A 80 -4.305 -1.988 -8.757 1.00 10.00 C ATOM 843 OG SER A 80 -3.791 -1.258 -9.864 1.00 10.00 O ATOM 0 H SER A 80 -4.707 -2.731 -6.455 1.00 10.00 H new ATOM 0 HA SER A 80 -4.294 -0.186 -7.574 1.00 10.00 H new ATOM 0 HB2 SER A 80 -3.504 -2.571 -8.302 1.00 10.00 H new ATOM 0 HB3 SER A 80 -5.056 -2.697 -9.106 1.00 10.00 H new ATOM 0 HG SER A 80 -3.402 -1.880 -10.514 1.00 10.00 H new ATOM 849 N GLN A 81 -7.346 -1.325 -7.800 1.00 10.00 N ATOM 850 CA GLN A 81 -8.705 -0.962 -8.184 1.00 10.00 C ATOM 851 C GLN A 81 -9.267 0.099 -7.241 1.00 10.00 C ATOM 852 O GLN A 81 -10.095 0.917 -7.631 1.00 10.00 O ATOM 853 CB GLN A 81 -9.603 -2.199 -8.181 1.00 10.00 C ATOM 854 CG GLN A 81 -9.122 -3.300 -9.114 1.00 10.00 C ATOM 855 CD GLN A 81 -9.254 -2.935 -10.580 1.00 10.00 C ATOM 856 OE1 GLN A 81 -10.267 -3.230 -11.218 1.00 10.00 O ATOM 857 NE2 GLN A 81 -8.230 -2.304 -11.128 1.00 10.00 N ATOM 0 H GLN A 81 -7.277 -2.172 -7.236 1.00 10.00 H new ATOM 0 HA GLN A 81 -8.678 -0.547 -9.192 1.00 10.00 H new ATOM 0 HB2 GLN A 81 -9.662 -2.593 -7.166 1.00 10.00 H new ATOM 0 HB3 GLN A 81 -10.613 -1.906 -8.468 1.00 10.00 H new ATOM 0 HG2 GLN A 81 -8.078 -3.525 -8.894 1.00 10.00 H new ATOM 0 HG3 GLN A 81 -9.692 -4.209 -8.919 1.00 10.00 H new ATOM 0 HE21 GLN A 81 -7.410 -2.078 -10.565 1.00 10.00 H new ATOM 0 HE22 GLN A 81 -8.260 -2.043 -12.114 1.00 10.00 H new ATOM 866 N LEU A 82 -8.798 0.086 -6.006 1.00 10.00 N ATOM 867 CA LEU A 82 -9.263 1.033 -5.002 1.00 10.00 C ATOM 868 C LEU A 82 -8.545 2.376 -5.130 1.00 10.00 C ATOM 869 O LEU A 82 -9.160 3.439 -5.022 1.00 10.00 O ATOM 870 CB LEU A 82 -9.051 0.443 -3.600 1.00 10.00 C ATOM 871 CG LEU A 82 -9.754 1.178 -2.455 1.00 10.00 C ATOM 872 CD1 LEU A 82 -11.266 1.141 -2.637 1.00 10.00 C ATOM 873 CD2 LEU A 82 -9.360 0.568 -1.117 1.00 10.00 C ATOM 0 H LEU A 82 -8.093 -0.571 -5.671 1.00 10.00 H new ATOM 0 HA LEU A 82 -10.326 1.211 -5.162 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -9.393 -0.592 -3.606 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -7.981 0.424 -3.392 1.00 10.00 H new ATOM 0 HG LEU A 82 -9.437 2.221 -2.469 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -11.745 1.669 -1.812 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -11.531 1.622 -3.578 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -11.606 0.105 -2.651 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -9.867 1.100 -0.311 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -9.650 -0.483 -1.097 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -8.281 0.650 -0.983 1.00 10.00 H new ATOM 885 N PHE A 83 -7.244 2.322 -5.382 1.00 10.00 N ATOM 886 CA PHE A 83 -6.429 3.524 -5.514 1.00 10.00 C ATOM 887 C PHE A 83 -6.255 3.896 -6.980 1.00 10.00 C ATOM 888 O PHE A 83 -5.228 4.444 -7.370 1.00 10.00 O ATOM 889 CB PHE A 83 -5.047 3.301 -4.880 1.00 10.00 C ATOM 890 CG PHE A 83 -5.043 3.246 -3.375 1.00 10.00 C ATOM 891 CD1 PHE A 83 -6.154 2.809 -2.672 1.00 10.00 C ATOM 892 CD2 PHE A 83 -3.916 3.629 -2.663 1.00 10.00 C ATOM 893 CE1 PHE A 83 -6.142 2.756 -1.293 1.00 10.00 C ATOM 894 CE2 PHE A 83 -3.903 3.579 -1.284 1.00 10.00 C ATOM 895 CZ PHE A 83 -5.018 3.141 -0.600 1.00 10.00 C ATOM 0 H PHE A 83 -6.726 1.451 -5.500 1.00 10.00 H new ATOM 0 HA PHE A 83 -6.939 4.337 -4.998 1.00 10.00 H new ATOM 0 HB2 PHE A 83 -4.633 2.369 -5.265 1.00 10.00 H new ATOM 0 HB3 PHE A 83 -4.382 4.102 -5.202 1.00 10.00 H new ATOM 0 HD1 PHE A 83 -7.040 2.506 -3.210 1.00 10.00 H new ATOM 0 HD2 PHE A 83 -3.039 3.970 -3.194 1.00 10.00 H new ATOM 0 HE1 PHE A 83 -7.015 2.412 -0.758 1.00 10.00 H new ATOM 0 HE2 PHE A 83 -3.020 3.883 -0.741 1.00 10.00 H new ATOM 0 HZ PHE A 83 -5.008 3.100 0.479 1.00 10.00 H new ATOM 905 N HIS A 84 -7.266 3.606 -7.789 1.00 10.00 N ATOM 906 CA HIS A 84 -7.216 3.897 -9.223 1.00 10.00 C ATOM 907 C HIS A 84 -7.170 5.403 -9.495 1.00 10.00 C ATOM 908 O HIS A 84 -6.814 5.838 -10.594 1.00 10.00 O ATOM 909 CB HIS A 84 -8.416 3.263 -9.942 1.00 10.00 C ATOM 910 CG HIS A 84 -9.740 3.871 -9.577 1.00 10.00 C ATOM 911 ND1 HIS A 84 -10.505 4.532 -10.510 1.00 10.00 N ATOM 912 CD2 HIS A 84 -10.390 3.883 -8.388 1.00 10.00 C ATOM 913 CE1 HIS A 84 -11.593 4.926 -9.871 1.00 10.00 C ATOM 914 NE2 HIS A 84 -11.564 4.556 -8.587 1.00 10.00 N ATOM 0 H HIS A 84 -8.134 3.169 -7.479 1.00 10.00 H new ATOM 0 HA HIS A 84 -6.296 3.461 -9.614 1.00 10.00 H new ATOM 0 HB2 HIS A 84 -8.271 3.354 -11.018 1.00 10.00 H new ATOM 0 HB3 HIS A 84 -8.442 2.198 -9.713 1.00 10.00 H new ATOM 0 HD2 HIS A 84 -10.047 3.446 -7.462 1.00 10.00 H new ATOM 0 HE1 HIS A 84 -12.402 5.477 -10.328 1.00 10.00 H new ATOM 0 HE2 HIS A 84 -12.282 4.741 -7.887 1.00 10.00 H new ATOM 922 N GLU A 85 -7.541 6.193 -8.495 1.00 10.00 N ATOM 923 CA GLU A 85 -7.529 7.641 -8.618 1.00 10.00 C ATOM 924 C GLU A 85 -6.165 8.198 -8.226 1.00 10.00 C ATOM 925 O GLU A 85 -5.891 9.385 -8.400 1.00 10.00 O ATOM 926 CB GLU A 85 -8.625 8.255 -7.750 1.00 10.00 C ATOM 927 CG GLU A 85 -10.013 8.139 -8.363 1.00 10.00 C ATOM 928 CD GLU A 85 -10.208 9.068 -9.545 1.00 10.00 C ATOM 929 OE1 GLU A 85 -9.725 8.749 -10.653 1.00 10.00 O ATOM 930 OE2 GLU A 85 -10.846 10.129 -9.373 1.00 10.00 O ATOM 0 H GLU A 85 -7.855 5.851 -7.587 1.00 10.00 H new ATOM 0 HA GLU A 85 -7.722 7.903 -9.658 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -8.624 7.767 -6.776 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -8.397 9.307 -7.580 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -10.180 7.110 -8.683 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -10.762 8.362 -7.603 1.00 10.00 H new ATOM 937 N HIS A 86 -5.313 7.327 -7.704 1.00 10.00 N ATOM 938 CA HIS A 86 -3.976 7.712 -7.280 1.00 10.00 C ATOM 939 C HIS A 86 -2.965 6.681 -7.782 1.00 10.00 C ATOM 940 O HIS A 86 -2.414 5.906 -6.995 1.00 10.00 O ATOM 941 CB HIS A 86 -3.904 7.821 -5.753 1.00 10.00 C ATOM 942 CG HIS A 86 -4.768 8.902 -5.176 1.00 10.00 C ATOM 943 ND1 HIS A 86 -6.075 8.660 -4.823 1.00 10.00 N ATOM 944 CD2 HIS A 86 -4.469 10.196 -4.908 1.00 10.00 C ATOM 945 CE1 HIS A 86 -6.542 9.803 -4.353 1.00 10.00 C ATOM 946 NE2 HIS A 86 -5.605 10.760 -4.384 1.00 10.00 N ATOM 0 H HIS A 86 -5.528 6.340 -7.563 1.00 10.00 H new ATOM 0 HA HIS A 86 -3.739 8.688 -7.703 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -4.196 6.866 -5.317 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -2.870 8.002 -5.461 1.00 10.00 H new ATOM 0 HD2 HIS A 86 -3.522 10.688 -5.074 1.00 10.00 H new ATOM 0 HE1 HIS A 86 -7.549 9.947 -3.991 1.00 10.00 H new ATOM 0 HE2 HIS A 86 -5.715 11.726 -4.076 1.00 10.00 H new ATOM 954 N PRO A 87 -2.702 6.663 -9.105 1.00 10.00 N ATOM 955 CA PRO A 87 -1.771 5.708 -9.722 1.00 10.00 C ATOM 956 C PRO A 87 -0.353 5.829 -9.174 1.00 10.00 C ATOM 957 O PRO A 87 0.399 4.851 -9.152 1.00 10.00 O ATOM 958 CB PRO A 87 -1.803 6.072 -11.210 1.00 10.00 C ATOM 959 CG PRO A 87 -2.364 7.449 -11.278 1.00 10.00 C ATOM 960 CD PRO A 87 -3.288 7.579 -10.103 1.00 10.00 C ATOM 0 HA PRO A 87 -2.064 4.678 -9.518 1.00 10.00 H new ATOM 0 HB2 PRO A 87 -0.804 6.035 -11.643 1.00 10.00 H new ATOM 0 HB3 PRO A 87 -2.420 5.370 -11.771 1.00 10.00 H new ATOM 0 HG2 PRO A 87 -1.571 8.196 -11.235 1.00 10.00 H new ATOM 0 HG3 PRO A 87 -2.899 7.606 -12.214 1.00 10.00 H new ATOM 0 HD2 PRO A 87 -3.327 8.604 -9.734 1.00 10.00 H new ATOM 0 HD3 PRO A 87 -4.308 7.294 -10.360 1.00 10.00 H new ATOM 968 N ASP A 88 -0.002 7.023 -8.713 1.00 10.00 N ATOM 969 CA ASP A 88 1.324 7.270 -8.161 1.00 10.00 C ATOM 970 C ASP A 88 1.550 6.443 -6.898 1.00 10.00 C ATOM 971 O ASP A 88 2.667 6.025 -6.608 1.00 10.00 O ATOM 972 CB ASP A 88 1.506 8.756 -7.851 1.00 10.00 C ATOM 973 CG ASP A 88 2.720 9.350 -8.541 1.00 10.00 C ATOM 974 OD1 ASP A 88 3.713 9.669 -7.853 1.00 10.00 O ATOM 975 OD2 ASP A 88 2.678 9.515 -9.778 1.00 10.00 O ATOM 0 H ASP A 88 -0.618 7.836 -8.710 1.00 10.00 H new ATOM 0 HA ASP A 88 2.060 6.971 -8.907 1.00 10.00 H new ATOM 0 HB2 ASP A 88 0.614 9.300 -8.161 1.00 10.00 H new ATOM 0 HB3 ASP A 88 1.603 8.890 -6.774 1.00 10.00 H new ATOM 980 N LEU A 89 0.473 6.191 -6.161 1.00 10.00 N ATOM 981 CA LEU A 89 0.554 5.407 -4.931 1.00 10.00 C ATOM 982 C LEU A 89 0.719 3.927 -5.247 1.00 10.00 C ATOM 983 O LEU A 89 1.425 3.206 -4.543 1.00 10.00 O ATOM 984 CB LEU A 89 -0.694 5.619 -4.071 1.00 10.00 C ATOM 985 CG LEU A 89 -0.796 6.985 -3.386 1.00 10.00 C ATOM 986 CD1 LEU A 89 -2.103 7.102 -2.617 1.00 10.00 C ATOM 987 CD2 LEU A 89 0.387 7.208 -2.456 1.00 10.00 C ATOM 0 H LEU A 89 -0.465 6.517 -6.393 1.00 10.00 H new ATOM 0 HA LEU A 89 1.427 5.747 -4.373 1.00 10.00 H new ATOM 0 HB2 LEU A 89 -1.575 5.479 -4.698 1.00 10.00 H new ATOM 0 HB3 LEU A 89 -0.722 4.844 -3.305 1.00 10.00 H new ATOM 0 HG LEU A 89 -0.779 7.755 -4.157 1.00 10.00 H new ATOM 0 HD11 LEU A 89 -2.157 8.079 -2.137 1.00 10.00 H new ATOM 0 HD12 LEU A 89 -2.941 6.989 -3.305 1.00 10.00 H new ATOM 0 HD13 LEU A 89 -2.149 6.322 -1.857 1.00 10.00 H new ATOM 0 HD21 LEU A 89 0.296 8.184 -1.979 1.00 10.00 H new ATOM 0 HD22 LEU A 89 0.401 6.431 -1.692 1.00 10.00 H new ATOM 0 HD23 LEU A 89 1.313 7.170 -3.030 1.00 10.00 H new ATOM 999 N ILE A 90 0.073 3.487 -6.318 1.00 10.00 N ATOM 1000 CA ILE A 90 0.141 2.092 -6.735 1.00 10.00 C ATOM 1001 C ILE A 90 1.559 1.732 -7.164 1.00 10.00 C ATOM 1002 O ILE A 90 2.140 0.764 -6.671 1.00 10.00 O ATOM 1003 CB ILE A 90 -0.834 1.799 -7.893 1.00 10.00 C ATOM 1004 CG1 ILE A 90 -2.247 2.247 -7.518 1.00 10.00 C ATOM 1005 CG2 ILE A 90 -0.827 0.319 -8.248 1.00 10.00 C ATOM 1006 CD1 ILE A 90 -3.235 2.165 -8.663 1.00 10.00 C ATOM 0 H ILE A 90 -0.506 4.077 -6.916 1.00 10.00 H new ATOM 0 HA ILE A 90 -0.147 1.483 -5.878 1.00 10.00 H new ATOM 0 HB ILE A 90 -0.505 2.360 -8.768 1.00 10.00 H new ATOM 0 HG12 ILE A 90 -2.607 1.631 -6.694 1.00 10.00 H new ATOM 0 HG13 ILE A 90 -2.209 3.274 -7.155 1.00 10.00 H new ATOM 0 HG21 ILE A 90 -1.523 0.138 -9.067 1.00 10.00 H new ATOM 0 HG22 ILE A 90 0.177 0.023 -8.552 1.00 10.00 H new ATOM 0 HG23 ILE A 90 -1.130 -0.265 -7.379 1.00 10.00 H new ATOM 0 HD11 ILE A 90 -4.215 2.498 -8.322 1.00 10.00 H new ATOM 0 HD12 ILE A 90 -2.899 2.803 -9.480 1.00 10.00 H new ATOM 0 HD13 ILE A 90 -3.303 1.135 -9.012 1.00 10.00 H new ATOM 1018 N VAL A 91 2.112 2.525 -8.076 1.00 10.00 N ATOM 1019 CA VAL A 91 3.466 2.300 -8.564 1.00 10.00 C ATOM 1020 C VAL A 91 4.462 2.511 -7.431 1.00 10.00 C ATOM 1021 O VAL A 91 5.434 1.765 -7.294 1.00 10.00 O ATOM 1022 CB VAL A 91 3.808 3.240 -9.742 1.00 10.00 C ATOM 1023 CG1 VAL A 91 5.203 2.956 -10.277 1.00 10.00 C ATOM 1024 CG2 VAL A 91 2.775 3.110 -10.849 1.00 10.00 C ATOM 0 H VAL A 91 1.642 3.329 -8.492 1.00 10.00 H new ATOM 0 HA VAL A 91 3.528 1.273 -8.925 1.00 10.00 H new ATOM 0 HB VAL A 91 3.789 4.265 -9.372 1.00 10.00 H new ATOM 0 HG11 VAL A 91 5.419 3.631 -11.105 1.00 10.00 H new ATOM 0 HG12 VAL A 91 5.935 3.109 -9.484 1.00 10.00 H new ATOM 0 HG13 VAL A 91 5.256 1.925 -10.626 1.00 10.00 H new ATOM 0 HG21 VAL A 91 3.034 3.780 -11.669 1.00 10.00 H new ATOM 0 HG22 VAL A 91 2.758 2.082 -11.212 1.00 10.00 H new ATOM 0 HG23 VAL A 91 1.791 3.374 -10.461 1.00 10.00 H new ATOM 1034 N GLY A 92 4.188 3.521 -6.608 1.00 10.00 N ATOM 1035 CA GLY A 92 5.046 3.822 -5.481 1.00 10.00 C ATOM 1036 C GLY A 92 5.164 2.649 -4.532 1.00 10.00 C ATOM 1037 O GLY A 92 6.227 2.402 -3.978 1.00 10.00 O ATOM 0 H GLY A 92 3.381 4.138 -6.705 1.00 10.00 H new ATOM 0 HA2 GLY A 92 6.037 4.098 -5.842 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.651 4.685 -4.944 1.00 10.00 H new ATOM 1041 N PHE A 93 4.073 1.913 -4.366 1.00 10.00 N ATOM 1042 CA PHE A 93 4.059 0.753 -3.491 1.00 10.00 C ATOM 1043 C PHE A 93 5.008 -0.319 -4.015 1.00 10.00 C ATOM 1044 O PHE A 93 5.770 -0.911 -3.252 1.00 10.00 O ATOM 1045 CB PHE A 93 2.642 0.185 -3.373 1.00 10.00 C ATOM 1046 CG PHE A 93 2.589 -1.163 -2.705 1.00 10.00 C ATOM 1047 CD1 PHE A 93 2.884 -1.295 -1.358 1.00 10.00 C ATOM 1048 CD2 PHE A 93 2.255 -2.298 -3.429 1.00 10.00 C ATOM 1049 CE1 PHE A 93 2.848 -2.533 -0.745 1.00 10.00 C ATOM 1050 CE2 PHE A 93 2.214 -3.538 -2.822 1.00 10.00 C ATOM 1051 CZ PHE A 93 2.513 -3.656 -1.476 1.00 10.00 C ATOM 0 H PHE A 93 3.184 2.102 -4.829 1.00 10.00 H new ATOM 0 HA PHE A 93 4.393 1.067 -2.502 1.00 10.00 H new ATOM 0 HB2 PHE A 93 2.024 0.885 -2.810 1.00 10.00 H new ATOM 0 HB3 PHE A 93 2.207 0.105 -4.369 1.00 10.00 H new ATOM 0 HD1 PHE A 93 3.145 -0.421 -0.780 1.00 10.00 H new ATOM 0 HD2 PHE A 93 2.024 -2.211 -4.480 1.00 10.00 H new ATOM 0 HE1 PHE A 93 3.082 -2.622 0.306 1.00 10.00 H new ATOM 0 HE2 PHE A 93 1.949 -4.413 -3.396 1.00 10.00 H new ATOM 0 HZ PHE A 93 2.484 -4.624 -0.998 1.00 10.00 H new ATOM 1061 N ASN A 94 4.962 -0.553 -5.324 1.00 10.00 N ATOM 1062 CA ASN A 94 5.817 -1.552 -5.953 1.00 10.00 C ATOM 1063 C ASN A 94 7.285 -1.199 -5.738 1.00 10.00 C ATOM 1064 O ASN A 94 8.100 -2.060 -5.406 1.00 10.00 O ATOM 1065 CB ASN A 94 5.508 -1.645 -7.452 1.00 10.00 C ATOM 1066 CG ASN A 94 6.009 -2.933 -8.090 1.00 10.00 C ATOM 1067 OD1 ASN A 94 7.039 -3.485 -7.703 1.00 10.00 O ATOM 1068 ND2 ASN A 94 5.274 -3.425 -9.078 1.00 10.00 N ATOM 0 H ASN A 94 4.341 -0.064 -5.969 1.00 10.00 H new ATOM 0 HA ASN A 94 5.620 -2.521 -5.495 1.00 10.00 H new ATOM 0 HB2 ASN A 94 4.431 -1.570 -7.599 1.00 10.00 H new ATOM 0 HB3 ASN A 94 5.960 -0.795 -7.963 1.00 10.00 H new ATOM 0 HD21 ASN A 94 5.557 -4.288 -9.543 1.00 10.00 H new ATOM 0 HD22 ASN A 94 4.426 -2.941 -9.373 1.00 10.00 H new ATOM 1075 N ALA A 95 7.608 0.080 -5.896 1.00 10.00 N ATOM 1076 CA ALA A 95 8.977 0.548 -5.723 1.00 10.00 C ATOM 1077 C ALA A 95 9.365 0.593 -4.244 1.00 10.00 C ATOM 1078 O ALA A 95 10.547 0.569 -3.906 1.00 10.00 O ATOM 1079 CB ALA A 95 9.152 1.922 -6.355 1.00 10.00 C ATOM 0 H ALA A 95 6.940 0.810 -6.143 1.00 10.00 H new ATOM 0 HA ALA A 95 9.638 -0.159 -6.224 1.00 10.00 H new ATOM 0 HB1 ALA A 95 10.180 2.258 -6.217 1.00 10.00 H new ATOM 0 HB2 ALA A 95 8.929 1.864 -7.420 1.00 10.00 H new ATOM 0 HB3 ALA A 95 8.473 2.630 -5.880 1.00 10.00 H new ATOM 1085 N PHE A 96 8.361 0.663 -3.374 1.00 10.00 N ATOM 1086 CA PHE A 96 8.583 0.719 -1.929 1.00 10.00 C ATOM 1087 C PHE A 96 8.792 -0.677 -1.349 1.00 10.00 C ATOM 1088 O PHE A 96 9.189 -0.826 -0.197 1.00 10.00 O ATOM 1089 CB PHE A 96 7.397 1.402 -1.235 1.00 10.00 C ATOM 1090 CG PHE A 96 7.781 2.187 -0.016 1.00 10.00 C ATOM 1091 CD1 PHE A 96 8.306 3.463 -0.136 1.00 10.00 C ATOM 1092 CD2 PHE A 96 7.609 1.652 1.248 1.00 10.00 C ATOM 1093 CE1 PHE A 96 8.653 4.189 0.983 1.00 10.00 C ATOM 1094 CE2 PHE A 96 7.955 2.375 2.371 1.00 10.00 C ATOM 1095 CZ PHE A 96 8.476 3.645 2.241 1.00 10.00 C ATOM 0 H PHE A 96 7.378 0.682 -3.646 1.00 10.00 H new ATOM 0 HA PHE A 96 9.487 1.302 -1.751 1.00 10.00 H new ATOM 0 HB2 PHE A 96 6.906 2.068 -1.945 1.00 10.00 H new ATOM 0 HB3 PHE A 96 6.667 0.643 -0.953 1.00 10.00 H new ATOM 0 HD1 PHE A 96 8.445 3.894 -1.117 1.00 10.00 H new ATOM 0 HD2 PHE A 96 7.200 0.658 1.357 1.00 10.00 H new ATOM 0 HE1 PHE A 96 9.063 5.182 0.877 1.00 10.00 H new ATOM 0 HE2 PHE A 96 7.818 1.946 3.353 1.00 10.00 H new ATOM 0 HZ PHE A 96 8.745 4.213 3.119 1.00 10.00 H new ATOM 1105 N LEU A 97 8.511 -1.693 -2.146 1.00 10.00 N ATOM 1106 CA LEU A 97 8.678 -3.071 -1.708 1.00 10.00 C ATOM 1107 C LEU A 97 10.160 -3.407 -1.559 1.00 10.00 C ATOM 1108 O LEU A 97 10.923 -3.334 -2.528 1.00 10.00 O ATOM 1109 CB LEU A 97 8.015 -4.033 -2.694 1.00 10.00 C ATOM 1110 CG LEU A 97 6.485 -4.072 -2.639 1.00 10.00 C ATOM 1111 CD1 LEU A 97 5.922 -4.801 -3.851 1.00 10.00 C ATOM 1112 CD2 LEU A 97 6.020 -4.745 -1.358 1.00 10.00 C ATOM 0 H LEU A 97 8.166 -1.591 -3.100 1.00 10.00 H new ATOM 0 HA LEU A 97 8.195 -3.182 -0.737 1.00 10.00 H new ATOM 0 HB2 LEU A 97 8.319 -3.759 -3.704 1.00 10.00 H new ATOM 0 HB3 LEU A 97 8.395 -5.038 -2.508 1.00 10.00 H new ATOM 0 HG LEU A 97 6.115 -3.047 -2.651 1.00 10.00 H new ATOM 0 HD11 LEU A 97 4.834 -4.818 -3.793 1.00 10.00 H new ATOM 0 HD12 LEU A 97 6.229 -4.285 -4.761 1.00 10.00 H new ATOM 0 HD13 LEU A 97 6.300 -5.823 -3.869 1.00 10.00 H new ATOM 0 HD21 LEU A 97 4.930 -4.766 -1.333 1.00 10.00 H new ATOM 0 HD22 LEU A 97 6.403 -5.765 -1.323 1.00 10.00 H new ATOM 0 HD23 LEU A 97 6.392 -4.188 -0.498 1.00 10.00 H new ATOM 1124 N PRO A 98 10.586 -3.776 -0.339 1.00 10.00 N ATOM 1125 CA PRO A 98 11.983 -4.114 -0.059 1.00 10.00 C ATOM 1126 C PRO A 98 12.414 -5.395 -0.766 1.00 10.00 C ATOM 1127 O PRO A 98 13.508 -5.474 -1.330 1.00 10.00 O ATOM 1128 CB PRO A 98 12.013 -4.298 1.463 1.00 10.00 C ATOM 1129 CG PRO A 98 10.607 -4.596 1.856 1.00 10.00 C ATOM 1130 CD PRO A 98 9.730 -3.890 0.860 1.00 10.00 C ATOM 0 HA PRO A 98 12.670 -3.346 -0.415 1.00 10.00 H new ATOM 0 HB2 PRO A 98 12.681 -5.112 1.747 1.00 10.00 H new ATOM 0 HB3 PRO A 98 12.377 -3.399 1.960 1.00 10.00 H new ATOM 0 HG2 PRO A 98 10.420 -5.670 1.846 1.00 10.00 H new ATOM 0 HG3 PRO A 98 10.404 -4.247 2.868 1.00 10.00 H new ATOM 0 HD2 PRO A 98 8.823 -4.457 0.652 1.00 10.00 H new ATOM 0 HD3 PRO A 98 9.418 -2.911 1.224 1.00 10.00 H new ATOM 1138 N SER A 99 11.539 -6.390 -0.737 1.00 10.00 N ATOM 1139 CA SER A 99 11.803 -7.669 -1.368 1.00 10.00 C ATOM 1140 C SER A 99 11.548 -7.572 -2.868 1.00 10.00 C ATOM 1141 O SER A 99 10.655 -6.844 -3.307 1.00 10.00 O ATOM 1142 CB SER A 99 10.914 -8.745 -0.743 1.00 10.00 C ATOM 1143 OG SER A 99 10.727 -8.509 0.650 1.00 10.00 O ATOM 0 H SER A 99 10.631 -6.331 -0.277 1.00 10.00 H new ATOM 0 HA SER A 99 12.847 -7.940 -1.211 1.00 10.00 H new ATOM 0 HB2 SER A 99 9.947 -8.760 -1.246 1.00 10.00 H new ATOM 0 HB3 SER A 99 11.365 -9.726 -0.892 1.00 10.00 H new ATOM 0 HG SER A 99 10.154 -9.209 1.026 1.00 10.00 H new ATOM 1149 N GLY A 100 12.340 -8.291 -3.649 1.00 10.00 N ATOM 1150 CA GLY A 100 12.187 -8.271 -5.086 1.00 10.00 C ATOM 1151 C GLY A 100 13.200 -9.164 -5.765 1.00 10.00 C ATOM 1152 O GLY A 100 13.385 -10.310 -5.363 1.00 10.00 O ATOM 0 H GLY A 100 13.091 -8.892 -3.309 1.00 10.00 H new ATOM 0 HA2 GLY A 100 11.180 -8.595 -5.350 1.00 10.00 H new ATOM 0 HA3 GLY A 100 12.299 -7.250 -5.450 1.00 10.00 H new ATOM 1156 N PRO A 101 13.883 -8.664 -6.801 1.00 10.00 N ATOM 1157 CA PRO A 101 14.884 -9.427 -7.530 1.00 10.00 C ATOM 1158 C PRO A 101 16.289 -9.219 -6.968 1.00 10.00 C ATOM 1159 O PRO A 101 17.287 -9.516 -7.624 1.00 10.00 O ATOM 1160 CB PRO A 101 14.778 -8.842 -8.935 1.00 10.00 C ATOM 1161 CG PRO A 101 14.331 -7.422 -8.748 1.00 10.00 C ATOM 1162 CD PRO A 101 13.730 -7.313 -7.361 1.00 10.00 C ATOM 0 HA PRO A 101 14.717 -10.503 -7.477 1.00 10.00 H new ATOM 0 HB2 PRO A 101 15.737 -8.886 -9.451 1.00 10.00 H new ATOM 0 HB3 PRO A 101 14.064 -9.401 -9.540 1.00 10.00 H new ATOM 0 HG2 PRO A 101 15.172 -6.738 -8.856 1.00 10.00 H new ATOM 0 HG3 PRO A 101 13.598 -7.148 -9.506 1.00 10.00 H new ATOM 0 HD2 PRO A 101 14.250 -6.569 -6.758 1.00 10.00 H new ATOM 0 HD3 PRO A 101 12.683 -7.014 -7.402 1.00 10.00 H new ATOM 1170 N SER A 102 16.355 -8.712 -5.749 1.00 10.00 N ATOM 1171 CA SER A 102 17.622 -8.446 -5.096 1.00 10.00 C ATOM 1172 C SER A 102 18.189 -9.710 -4.447 1.00 10.00 C ATOM 1173 O SER A 102 17.561 -10.773 -4.473 1.00 10.00 O ATOM 1174 CB SER A 102 17.426 -7.354 -4.051 1.00 10.00 C ATOM 1175 OG SER A 102 16.661 -6.279 -4.577 1.00 10.00 O ATOM 0 H SER A 102 15.537 -8.475 -5.188 1.00 10.00 H new ATOM 0 HA SER A 102 18.340 -8.113 -5.845 1.00 10.00 H new ATOM 0 HB2 SER A 102 16.925 -7.768 -3.176 1.00 10.00 H new ATOM 0 HB3 SER A 102 18.396 -6.986 -3.718 1.00 10.00 H new ATOM 0 HG SER A 102 16.547 -5.591 -3.888 1.00 10.00 H new ATOM 1181 N SER A 103 19.384 -9.588 -3.882 1.00 10.00 N ATOM 1182 CA SER A 103 20.057 -10.705 -3.233 1.00 10.00 C ATOM 1183 C SER A 103 19.261 -11.222 -2.034 1.00 10.00 C ATOM 1184 O SER A 103 19.097 -10.522 -1.034 1.00 10.00 O ATOM 1185 CB SER A 103 21.451 -10.267 -2.784 1.00 10.00 C ATOM 1186 OG SER A 103 21.986 -9.291 -3.670 1.00 10.00 O ATOM 0 H SER A 103 19.912 -8.715 -3.861 1.00 10.00 H new ATOM 0 HA SER A 103 20.137 -11.519 -3.953 1.00 10.00 H new ATOM 0 HB2 SER A 103 21.401 -9.859 -1.774 1.00 10.00 H new ATOM 0 HB3 SER A 103 22.114 -11.132 -2.746 1.00 10.00 H new ATOM 0 HG SER A 103 22.877 -9.024 -3.363 1.00 10.00 H new ATOM 1192 N GLY A 104 18.770 -12.451 -2.147 1.00 10.00 N ATOM 1193 CA GLY A 104 18.009 -13.054 -1.070 1.00 10.00 C ATOM 1194 C GLY A 104 16.518 -13.068 -1.353 1.00 10.00 C ATOM 1195 O GLY A 104 16.083 -12.745 -2.468 1.00 10.00 O ATOM 0 H GLY A 104 18.887 -13.043 -2.970 1.00 10.00 H new ATOM 0 HA2 GLY A 104 18.356 -14.075 -0.911 1.00 10.00 H new ATOM 0 HA3 GLY A 104 18.196 -12.507 -0.146 1.00 10.00 H new TER 1199 GLY A 104 HETATM 1200 N1 8TL A 201 1.734 -3.188 2.621 1.00 10.00 N HETATM 1201 N3 8TL A 201 2.825 -6.216 2.345 1.00 10.00 N HETATM 1202 C4 8TL A 201 4.088 -0.424 3.136 1.00 10.00 C HETATM 1203 C5 8TL A 201 4.801 -0.691 1.809 1.00 10.00 C HETATM 1204 C6 8TL A 201 0.792 -3.486 1.731 1.00 10.00 C HETATM 1205 C7 8TL A 201 -0.577 -3.087 -0.065 1.00 10.00 C HETATM 1206 C8 8TL A 201 -0.848 -2.082 -1.187 1.00 10.00 C HETATM 1207 C10 8TL A 201 4.370 -5.299 4.066 1.00 10.00 C HETATM 1208 C13 8TL A 201 2.497 -6.945 1.099 1.00 10.00 C HETATM 1209 C15 8TL A 201 3.427 -7.743 -1.112 1.00 10.00 C HETATM 1210 C17 8TL A 201 4.685 -7.837 -1.979 1.00 10.00 C HETATM 1211 C20 8TL A 201 6.345 -5.881 7.056 1.00 10.00 C HETATM 1212 C9 8TL A 201 -1.858 -3.310 0.742 1.00 10.00 C HETATM 1213 O4 8TL A 201 0.450 -2.566 0.791 1.00 10.00 O HETATM 1214 O3 8TL A 201 0.225 -4.578 1.757 1.00 10.00 O HETATM 1215 O1 8TL A 201 2.280 -1.924 2.556 1.00 10.00 O HETATM 1216 C1 8TL A 201 3.252 -1.632 3.565 1.00 10.00 C HETATM 1217 C2 8TL A 201 4.169 -2.838 3.764 1.00 10.00 C HETATM 1218 O2 8TL A 201 5.390 -2.715 3.821 1.00 10.00 O HETATM 1219 N2 8TL A 201 3.560 -4.091 3.878 1.00 10.00 N HETATM 1220 C3 8TL A 201 2.110 -4.177 3.644 1.00 10.00 C HETATM 1221 C11 8TL A 201 1.760 -5.588 3.160 1.00 10.00 C HETATM 1222 C14 8TL A 201 3.713 -6.959 0.170 1.00 10.00 C HETATM 1223 C16 8TL A 201 2.285 -7.093 -1.896 1.00 10.00 C HETATM 1224 C12 8TL A 201 4.148 -6.090 2.780 1.00 10.00 C HETATM 1225 O5 8TL A 201 5.086 -6.609 2.172 1.00 10.00 O HETATM 1226 C18 8TL A 201 3.824 -6.106 5.247 1.00 10.00 C HETATM 1227 C19 8TL A 201 4.650 -7.377 5.460 1.00 10.00 C HETATM 1228 S1 8TL A 201 6.431 -7.029 5.698 1.00 10.00 S