USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -176:sc= -3.16 (180deg=-3.28) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.472 (180deg=-0.554) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 35:sc= 0.158 USER MOD Single : A 7 ASN : amide:sc= -2.68 K(o=-2.7,f=-0.43) USER MOD Single : A 10 THR OG1 : rot -36:sc= 1.08 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 35 ASN : amide:sc= -0.0539 X(o=-0.054,f=-0.34) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 95:sc= 1.22 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 170:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -1.3 X(o=-1.3,f=-1) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.624 1.174 -1.196 1.00 75.40 N ATOM 2 CA MET A 1 1.635 0.144 -1.407 1.00 35.00 C ATOM 3 C MET A 1 3.035 0.702 -1.175 1.00 62.14 C ATOM 4 O MET A 1 3.197 1.855 -0.777 1.00 3.42 O ATOM 5 CB MET A 1 1.527 -0.424 -2.823 1.00 71.04 C ATOM 6 CG MET A 1 2.160 0.462 -3.883 1.00 44.44 C ATOM 7 SD MET A 1 1.193 0.526 -5.404 1.00 4.31 S ATOM 8 CE MET A 1 0.786 -1.205 -5.619 1.00 43.53 C ATOM 0 H1 MET A 1 -0.323 0.763 -1.326 1.00 75.40 H new ATOM 0 H2 MET A 1 0.708 1.550 -0.230 1.00 75.40 H new ATOM 0 H3 MET A 1 0.764 1.944 -1.881 1.00 75.40 H new ATOM 0 HA MET A 1 1.459 -0.656 -0.688 1.00 35.00 H new ATOM 0 HB2 MET A 1 2.002 -1.405 -2.850 1.00 71.04 H new ATOM 0 HB3 MET A 1 0.475 -0.573 -3.067 1.00 71.04 H new ATOM 0 HG2 MET A 1 2.274 1.471 -3.487 1.00 44.44 H new ATOM 0 HG3 MET A 1 3.161 0.093 -4.109 1.00 44.44 H new ATOM 0 HE1 MET A 1 0.248 -1.338 -6.558 1.00 43.53 H new ATOM 0 HE2 MET A 1 1.703 -1.795 -5.639 1.00 43.53 H new ATOM 0 HE3 MET A 1 0.159 -1.537 -4.791 1.00 43.53 H new ATOM 18 N LYS A 2 4.045 -0.124 -1.427 1.00 42.14 N ATOM 19 CA LYS A 2 5.433 0.286 -1.248 1.00 13.54 C ATOM 20 C LYS A 2 5.978 0.933 -2.517 1.00 72.11 C ATOM 21 O LYS A 2 5.627 0.535 -3.628 1.00 42.11 O ATOM 22 CB LYS A 2 6.297 -0.917 -0.864 1.00 75.21 C ATOM 23 CG LYS A 2 6.168 -1.318 0.595 1.00 10.13 C ATOM 24 CD LYS A 2 7.529 -1.464 1.255 1.00 32.53 C ATOM 25 CE LYS A 2 7.507 -2.521 2.349 1.00 32.21 C ATOM 26 NZ LYS A 2 8.732 -3.367 2.328 1.00 5.32 N ATOM 0 H LYS A 2 3.928 -1.082 -1.756 1.00 42.14 H new ATOM 0 HA LYS A 2 5.467 1.021 -0.444 1.00 13.54 H new ATOM 0 HB2 LYS A 2 6.023 -1.765 -1.491 1.00 75.21 H new ATOM 0 HB3 LYS A 2 7.341 -0.687 -1.078 1.00 75.21 H new ATOM 0 HG2 LYS A 2 5.582 -0.570 1.129 1.00 10.13 H new ATOM 0 HG3 LYS A 2 5.624 -2.260 0.668 1.00 10.13 H new ATOM 0 HD2 LYS A 2 8.272 -1.732 0.504 1.00 32.53 H new ATOM 0 HD3 LYS A 2 7.834 -0.507 1.678 1.00 32.53 H new ATOM 0 HE2 LYS A 2 7.417 -2.036 3.321 1.00 32.21 H new ATOM 0 HE3 LYS A 2 6.627 -3.153 2.226 1.00 32.21 H new ATOM 0 HZ1 LYS A 2 8.678 -4.075 3.088 1.00 5.32 H new ATOM 0 HZ2 LYS A 2 8.804 -3.850 1.410 1.00 5.32 H new ATOM 0 HZ3 LYS A 2 9.570 -2.768 2.471 1.00 5.32 H new ATOM 40 N VAL A 3 6.839 1.931 -2.345 1.00 14.21 N ATOM 41 CA VAL A 3 7.434 2.631 -3.477 1.00 22.21 C ATOM 42 C VAL A 3 8.954 2.661 -3.366 1.00 44.11 C ATOM 43 O VAL A 3 9.505 2.783 -2.272 1.00 2.14 O ATOM 44 CB VAL A 3 6.909 4.075 -3.583 1.00 63.15 C ATOM 45 CG1 VAL A 3 7.229 4.660 -4.950 1.00 45.15 C ATOM 46 CG2 VAL A 3 5.413 4.119 -3.313 1.00 20.23 C ATOM 0 H VAL A 3 7.140 2.273 -1.432 1.00 14.21 H new ATOM 0 HA VAL A 3 7.149 2.082 -4.375 1.00 22.21 H new ATOM 0 HB VAL A 3 7.409 4.681 -2.828 1.00 63.15 H new ATOM 0 HG11 VAL A 3 6.851 5.681 -5.007 1.00 45.15 H new ATOM 0 HG12 VAL A 3 8.309 4.664 -5.100 1.00 45.15 H new ATOM 0 HG13 VAL A 3 6.757 4.055 -5.724 1.00 45.15 H new ATOM 0 HG21 VAL A 3 5.059 5.147 -3.392 1.00 20.23 H new ATOM 0 HG22 VAL A 3 4.893 3.499 -4.043 1.00 20.23 H new ATOM 0 HG23 VAL A 3 5.213 3.743 -2.310 1.00 20.23 H new ATOM 56 N TYR A 4 9.627 2.550 -4.506 1.00 24.11 N ATOM 57 CA TYR A 4 11.085 2.563 -4.537 1.00 60.42 C ATOM 58 C TYR A 4 11.600 3.619 -5.511 1.00 31.44 C ATOM 59 O TYR A 4 11.310 3.572 -6.706 1.00 52.11 O ATOM 60 CB TYR A 4 11.620 1.185 -4.932 1.00 54.03 C ATOM 61 CG TYR A 4 12.677 1.233 -6.012 1.00 20.30 C ATOM 62 CD1 TYR A 4 13.965 1.673 -5.731 1.00 53.34 C ATOM 63 CD2 TYR A 4 12.389 0.838 -7.313 1.00 14.25 C ATOM 64 CE1 TYR A 4 14.934 1.719 -6.715 1.00 0.23 C ATOM 65 CE2 TYR A 4 13.352 0.879 -8.302 1.00 11.43 C ATOM 66 CZ TYR A 4 14.623 1.321 -7.998 1.00 71.20 C ATOM 67 OH TYR A 4 15.585 1.365 -8.981 1.00 30.30 O ATOM 0 H TYR A 4 9.186 2.450 -5.421 1.00 24.11 H new ATOM 0 HA TYR A 4 11.442 2.811 -3.538 1.00 60.42 H new ATOM 0 HB2 TYR A 4 12.036 0.699 -4.049 1.00 54.03 H new ATOM 0 HB3 TYR A 4 10.790 0.567 -5.275 1.00 54.03 H new ATOM 0 HD1 TYR A 4 14.213 1.984 -4.727 1.00 53.34 H new ATOM 0 HD2 TYR A 4 11.395 0.493 -7.555 1.00 14.25 H new ATOM 0 HE1 TYR A 4 15.930 2.065 -6.480 1.00 0.23 H new ATOM 0 HE2 TYR A 4 13.112 0.567 -9.308 1.00 11.43 H new ATOM 0 HH TYR A 4 16.457 1.140 -8.595 1.00 30.30 H new ATOM 77 N VAL A 5 12.367 4.571 -4.989 1.00 71.11 N ATOM 78 CA VAL A 5 12.925 5.639 -5.811 1.00 32.55 C ATOM 79 C VAL A 5 14.449 5.627 -5.765 1.00 54.44 C ATOM 80 O VAL A 5 15.054 6.059 -4.786 1.00 3.54 O ATOM 81 CB VAL A 5 12.419 7.020 -5.355 1.00 13.01 C ATOM 82 CG1 VAL A 5 10.967 7.219 -5.764 1.00 21.42 C ATOM 83 CG2 VAL A 5 12.584 7.178 -3.851 1.00 11.10 C ATOM 0 H VAL A 5 12.616 4.625 -4.001 1.00 71.11 H new ATOM 0 HA VAL A 5 12.594 5.459 -6.834 1.00 32.55 H new ATOM 0 HB VAL A 5 13.018 7.787 -5.846 1.00 13.01 H new ATOM 0 HG11 VAL A 5 10.627 8.200 -5.433 1.00 21.42 H new ATOM 0 HG12 VAL A 5 10.882 7.152 -6.849 1.00 21.42 H new ATOM 0 HG13 VAL A 5 10.350 6.447 -5.304 1.00 21.42 H new ATOM 0 HG21 VAL A 5 12.221 8.160 -3.546 1.00 11.10 H new ATOM 0 HG22 VAL A 5 12.011 6.405 -3.339 1.00 11.10 H new ATOM 0 HG23 VAL A 5 13.638 7.083 -3.589 1.00 11.10 H new ATOM 93 N GLY A 6 15.063 5.130 -6.834 1.00 45.14 N ATOM 94 CA GLY A 6 16.512 5.072 -6.897 1.00 2.21 C ATOM 95 C GLY A 6 17.091 6.079 -7.871 1.00 62.11 C ATOM 96 O GLY A 6 16.383 6.958 -8.360 1.00 74.41 O ATOM 0 H GLY A 6 14.583 4.767 -7.657 1.00 45.14 H new ATOM 0 HA2 GLY A 6 16.923 5.254 -5.904 1.00 2.21 H new ATOM 0 HA3 GLY A 6 16.820 4.069 -7.191 1.00 2.21 H new ATOM 100 N ASN A 7 18.384 5.952 -8.152 1.00 71.25 N ATOM 101 CA ASN A 7 19.059 6.860 -9.073 1.00 74.42 C ATOM 102 C ASN A 7 19.023 8.292 -8.548 1.00 63.25 C ATOM 103 O ASN A 7 18.381 9.164 -9.135 1.00 43.02 O ATOM 104 CB ASN A 7 18.406 6.795 -10.456 1.00 23.13 C ATOM 105 CG ASN A 7 18.696 5.489 -11.171 1.00 40.51 C ATOM 106 OD1 ASN A 7 19.269 5.480 -12.261 1.00 33.22 O ATOM 107 ND2 ASN A 7 18.300 4.379 -10.559 1.00 41.34 N ATOM 0 H ASN A 7 18.985 5.230 -7.755 1.00 71.25 H new ATOM 0 HA ASN A 7 20.100 6.548 -9.155 1.00 74.42 H new ATOM 0 HB2 ASN A 7 17.328 6.918 -10.352 1.00 23.13 H new ATOM 0 HB3 ASN A 7 18.764 7.626 -11.063 1.00 23.13 H new ATOM 0 HD21 ASN A 7 18.467 3.471 -10.992 1.00 41.34 H new ATOM 0 HD22 ASN A 7 17.829 4.435 -9.656 1.00 41.34 H new ATOM 114 N LEU A 8 19.718 8.527 -7.441 1.00 12.32 N ATOM 115 CA LEU A 8 19.767 9.854 -6.836 1.00 43.14 C ATOM 116 C LEU A 8 21.170 10.446 -6.936 1.00 33.34 C ATOM 117 O LEU A 8 22.062 10.086 -6.169 1.00 60.31 O ATOM 118 CB LEU A 8 19.333 9.785 -5.371 1.00 50.22 C ATOM 119 CG LEU A 8 18.082 8.956 -5.080 1.00 73.24 C ATOM 120 CD1 LEU A 8 18.036 8.554 -3.614 1.00 43.33 C ATOM 121 CD2 LEU A 8 16.828 9.729 -5.462 1.00 43.55 C ATOM 0 H LEU A 8 20.255 7.817 -6.944 1.00 12.32 H new ATOM 0 HA LEU A 8 19.080 10.501 -7.381 1.00 43.14 H new ATOM 0 HB2 LEU A 8 20.158 9.378 -4.787 1.00 50.22 H new ATOM 0 HB3 LEU A 8 19.162 10.801 -5.015 1.00 50.22 H new ATOM 0 HG LEU A 8 18.123 8.049 -5.683 1.00 73.24 H new ATOM 0 HD11 LEU A 8 17.138 7.965 -3.426 1.00 43.33 H new ATOM 0 HD12 LEU A 8 18.917 7.960 -3.372 1.00 43.33 H new ATOM 0 HD13 LEU A 8 18.019 9.449 -2.992 1.00 43.33 H new ATOM 0 HD21 LEU A 8 15.948 9.123 -5.248 1.00 43.55 H new ATOM 0 HD22 LEU A 8 16.781 10.653 -4.886 1.00 43.55 H new ATOM 0 HD23 LEU A 8 16.856 9.965 -6.526 1.00 43.55 H new ATOM 133 N GLY A 9 21.356 11.358 -7.885 1.00 11.12 N ATOM 134 CA GLY A 9 22.651 11.987 -8.065 1.00 63.24 C ATOM 135 C GLY A 9 22.967 12.989 -6.973 1.00 54.41 C ATOM 136 O GLY A 9 23.260 12.612 -5.838 1.00 74.21 O ATOM 0 H GLY A 9 20.633 11.672 -8.532 1.00 11.12 H new ATOM 0 HA2 GLY A 9 23.425 11.219 -8.084 1.00 63.24 H new ATOM 0 HA3 GLY A 9 22.676 12.489 -9.032 1.00 63.24 H new ATOM 140 N THR A 10 22.908 14.273 -7.315 1.00 64.12 N ATOM 141 CA THR A 10 23.193 15.333 -6.356 1.00 72.03 C ATOM 142 C THR A 10 22.183 16.469 -6.477 1.00 22.30 C ATOM 143 O THR A 10 22.332 17.514 -5.846 1.00 12.13 O ATOM 144 CB THR A 10 24.612 15.900 -6.550 1.00 72.01 C ATOM 145 OG1 THR A 10 24.879 16.901 -5.562 1.00 34.04 O ATOM 146 CG2 THR A 10 24.771 16.498 -7.940 1.00 75.30 C ATOM 0 H THR A 10 22.665 14.603 -8.249 1.00 64.12 H new ATOM 0 HA THR A 10 23.120 14.889 -5.363 1.00 72.03 H new ATOM 0 HB THR A 10 25.324 15.082 -6.440 1.00 72.01 H new ATOM 0 HG1 THR A 10 24.059 17.406 -5.378 1.00 34.04 H new ATOM 0 HG21 THR A 10 25.781 16.892 -8.053 1.00 75.30 H new ATOM 0 HG22 THR A 10 24.596 15.727 -8.690 1.00 75.30 H new ATOM 0 HG23 THR A 10 24.050 17.304 -8.074 1.00 75.30 H new ATOM 154 N GLY A 11 21.154 16.256 -7.292 1.00 44.01 N ATOM 155 CA GLY A 11 20.135 17.271 -7.480 1.00 15.31 C ATOM 156 C GLY A 11 18.741 16.757 -7.177 1.00 24.43 C ATOM 157 O GLY A 11 17.817 17.539 -6.960 1.00 52.32 O ATOM 0 H GLY A 11 21.008 15.399 -7.825 1.00 44.01 H new ATOM 0 HA2 GLY A 11 20.352 18.123 -6.836 1.00 15.31 H new ATOM 0 HA3 GLY A 11 20.171 17.631 -8.508 1.00 15.31 H new ATOM 161 N ALA A 12 18.590 15.436 -7.163 1.00 0.33 N ATOM 162 CA ALA A 12 17.300 14.818 -6.884 1.00 12.23 C ATOM 163 C ALA A 12 17.425 13.750 -5.803 1.00 21.12 C ATOM 164 O ALA A 12 17.930 12.656 -6.053 1.00 4.43 O ATOM 165 CB ALA A 12 16.715 14.220 -8.155 1.00 24.23 C ATOM 0 H ALA A 12 19.345 14.774 -7.342 1.00 0.33 H new ATOM 0 HA ALA A 12 16.626 15.592 -6.517 1.00 12.23 H new ATOM 0 HB1 ALA A 12 15.752 13.762 -7.932 1.00 24.23 H new ATOM 0 HB2 ALA A 12 16.579 15.006 -8.898 1.00 24.23 H new ATOM 0 HB3 ALA A 12 17.394 13.463 -8.547 1.00 24.23 H new ATOM 171 N GLY A 13 16.962 14.075 -4.599 1.00 60.34 N ATOM 172 CA GLY A 13 17.033 13.132 -3.498 1.00 53.22 C ATOM 173 C GLY A 13 15.779 13.140 -2.647 1.00 14.33 C ATOM 174 O GLY A 13 14.672 12.961 -3.156 1.00 30.03 O ATOM 0 H GLY A 13 16.539 14.974 -4.367 1.00 60.34 H new ATOM 0 HA2 GLY A 13 17.194 12.129 -3.893 1.00 53.22 H new ATOM 0 HA3 GLY A 13 17.894 13.371 -2.874 1.00 53.22 H new ATOM 178 N LYS A 14 15.950 13.347 -1.345 1.00 43.25 N ATOM 179 CA LYS A 14 14.824 13.378 -0.420 1.00 70.30 C ATOM 180 C LYS A 14 13.866 14.513 -0.766 1.00 72.13 C ATOM 181 O LYS A 14 12.652 14.319 -0.821 1.00 22.11 O ATOM 182 CB LYS A 14 15.323 13.538 1.018 1.00 60.02 C ATOM 183 CG LYS A 14 14.265 13.239 2.066 1.00 60.13 C ATOM 184 CD LYS A 14 13.842 14.497 2.806 1.00 21.40 C ATOM 185 CE LYS A 14 13.252 14.169 4.169 1.00 12.20 C ATOM 186 NZ LYS A 14 12.682 15.375 4.831 1.00 4.51 N ATOM 0 H LYS A 14 16.859 13.496 -0.907 1.00 43.25 H new ATOM 0 HA LYS A 14 14.287 12.434 -0.509 1.00 70.30 H new ATOM 0 HB2 LYS A 14 16.174 12.875 1.174 1.00 60.02 H new ATOM 0 HB3 LYS A 14 15.683 14.557 1.158 1.00 60.02 H new ATOM 0 HG2 LYS A 14 13.396 12.787 1.588 1.00 60.13 H new ATOM 0 HG3 LYS A 14 14.652 12.510 2.778 1.00 60.13 H new ATOM 0 HD2 LYS A 14 14.702 15.155 2.929 1.00 21.40 H new ATOM 0 HD3 LYS A 14 13.108 15.041 2.212 1.00 21.40 H new ATOM 0 HE2 LYS A 14 12.473 13.415 4.056 1.00 12.20 H new ATOM 0 HE3 LYS A 14 14.025 13.737 4.805 1.00 12.20 H new ATOM 0 HZ1 LYS A 14 12.290 15.110 5.757 1.00 4.51 H new ATOM 0 HZ2 LYS A 14 13.430 16.085 4.962 1.00 4.51 H new ATOM 0 HZ3 LYS A 14 11.927 15.773 4.237 1.00 4.51 H new ATOM 200 N GLY A 15 14.420 15.699 -1.001 1.00 20.41 N ATOM 201 CA GLY A 15 13.600 16.847 -1.340 1.00 72.34 C ATOM 202 C GLY A 15 12.859 16.663 -2.650 1.00 41.11 C ATOM 203 O GLY A 15 11.688 17.022 -2.763 1.00 13.40 O ATOM 0 H GLY A 15 15.422 15.885 -0.963 1.00 20.41 H new ATOM 0 HA2 GLY A 15 12.880 17.024 -0.541 1.00 72.34 H new ATOM 0 HA3 GLY A 15 14.230 17.734 -1.404 1.00 72.34 H new ATOM 207 N GLU A 16 13.544 16.104 -3.642 1.00 64.25 N ATOM 208 CA GLU A 16 12.943 15.876 -4.951 1.00 45.25 C ATOM 209 C GLU A 16 11.763 14.915 -4.848 1.00 53.14 C ATOM 210 O GLU A 16 10.647 15.238 -5.258 1.00 13.44 O ATOM 211 CB GLU A 16 13.984 15.320 -5.925 1.00 44.04 C ATOM 212 CG GLU A 16 14.024 16.051 -7.257 1.00 33.21 C ATOM 213 CD GLU A 16 14.914 17.278 -7.223 1.00 13.02 C ATOM 214 OE1 GLU A 16 14.994 17.924 -6.157 1.00 62.22 O ATOM 215 OE2 GLU A 16 15.530 17.592 -8.263 1.00 10.23 O ATOM 0 H GLU A 16 14.515 15.801 -3.565 1.00 64.25 H new ATOM 0 HA GLU A 16 12.579 16.832 -5.326 1.00 45.25 H new ATOM 0 HB2 GLU A 16 14.969 15.374 -5.461 1.00 44.04 H new ATOM 0 HB3 GLU A 16 13.774 14.266 -6.105 1.00 44.04 H new ATOM 0 HG2 GLU A 16 14.380 15.370 -8.030 1.00 33.21 H new ATOM 0 HG3 GLU A 16 13.013 16.348 -7.535 1.00 33.21 H new ATOM 222 N LEU A 17 12.017 13.732 -4.300 1.00 14.33 N ATOM 223 CA LEU A 17 10.976 12.722 -4.143 1.00 15.44 C ATOM 224 C LEU A 17 9.880 13.211 -3.200 1.00 45.30 C ATOM 225 O LEU A 17 8.714 12.846 -3.346 1.00 45.45 O ATOM 226 CB LEU A 17 11.577 11.420 -3.612 1.00 30.10 C ATOM 227 CG LEU A 17 11.759 11.333 -2.096 1.00 50.13 C ATOM 228 CD1 LEU A 17 10.514 10.755 -1.441 1.00 40.33 C ATOM 229 CD2 LEU A 17 12.982 10.495 -1.753 1.00 41.31 C ATOM 0 H LEU A 17 12.935 13.448 -3.957 1.00 14.33 H new ATOM 0 HA LEU A 17 10.533 12.538 -5.122 1.00 15.44 H new ATOM 0 HB2 LEU A 17 10.941 10.594 -3.929 1.00 30.10 H new ATOM 0 HB3 LEU A 17 12.549 11.273 -4.083 1.00 30.10 H new ATOM 0 HG LEU A 17 11.913 12.340 -1.710 1.00 50.13 H new ATOM 0 HD11 LEU A 17 10.662 10.701 -0.362 1.00 40.33 H new ATOM 0 HD12 LEU A 17 9.658 11.395 -1.658 1.00 40.33 H new ATOM 0 HD13 LEU A 17 10.328 9.755 -1.832 1.00 40.33 H new ATOM 0 HD21 LEU A 17 13.096 10.444 -0.670 1.00 41.31 H new ATOM 0 HD22 LEU A 17 12.857 9.489 -2.153 1.00 41.31 H new ATOM 0 HD23 LEU A 17 13.870 10.951 -2.190 1.00 41.31 H new ATOM 241 N GLU A 18 10.264 14.040 -2.234 1.00 45.44 N ATOM 242 CA GLU A 18 9.314 14.580 -1.269 1.00 40.12 C ATOM 243 C GLU A 18 8.283 15.468 -1.959 1.00 54.13 C ATOM 244 O GLU A 18 7.077 15.278 -1.797 1.00 41.44 O ATOM 245 CB GLU A 18 10.048 15.377 -0.188 1.00 73.04 C ATOM 246 CG GLU A 18 9.118 16.064 0.798 1.00 62.20 C ATOM 247 CD GLU A 18 8.300 15.079 1.611 1.00 3.42 C ATOM 248 OE1 GLU A 18 8.797 14.618 2.659 1.00 22.45 O ATOM 249 OE2 GLU A 18 7.162 14.771 1.199 1.00 44.23 O ATOM 0 H GLU A 18 11.226 14.352 -2.099 1.00 45.44 H new ATOM 0 HA GLU A 18 8.794 13.743 -0.803 1.00 40.12 H new ATOM 0 HB2 GLU A 18 10.712 14.707 0.358 1.00 73.04 H new ATOM 0 HB3 GLU A 18 10.676 16.128 -0.666 1.00 73.04 H new ATOM 0 HG2 GLU A 18 9.706 16.687 1.473 1.00 62.20 H new ATOM 0 HG3 GLU A 18 8.446 16.728 0.255 1.00 62.20 H new ATOM 256 N ARG A 19 8.766 16.438 -2.729 1.00 32.02 N ATOM 257 CA ARG A 19 7.887 17.357 -3.442 1.00 70.32 C ATOM 258 C ARG A 19 7.047 16.613 -4.476 1.00 71.23 C ATOM 259 O ARG A 19 5.850 16.864 -4.616 1.00 4.43 O ATOM 260 CB ARG A 19 8.707 18.452 -4.128 1.00 34.45 C ATOM 261 CG ARG A 19 7.871 19.398 -4.974 1.00 2.32 C ATOM 262 CD ARG A 19 7.944 20.824 -4.451 1.00 11.32 C ATOM 263 NE ARG A 19 7.524 20.917 -3.055 1.00 43.50 N ATOM 264 CZ ARG A 19 7.694 22.002 -2.308 1.00 12.45 C ATOM 265 NH1 ARG A 19 8.271 23.081 -2.819 1.00 72.35 N ATOM 266 NH2 ARG A 19 7.285 22.010 -1.045 1.00 42.31 N ATOM 0 H ARG A 19 9.761 16.608 -2.875 1.00 32.02 H new ATOM 0 HA ARG A 19 7.216 17.816 -2.716 1.00 70.32 H new ATOM 0 HB2 ARG A 19 9.236 19.028 -3.369 1.00 34.45 H new ATOM 0 HB3 ARG A 19 9.464 17.986 -4.759 1.00 34.45 H new ATOM 0 HG2 ARG A 19 8.220 19.369 -6.006 1.00 2.32 H new ATOM 0 HG3 ARG A 19 6.834 19.064 -4.979 1.00 2.32 H new ATOM 0 HD2 ARG A 19 8.965 21.194 -4.548 1.00 11.32 H new ATOM 0 HD3 ARG A 19 7.312 21.468 -5.063 1.00 11.32 H new ATOM 0 HE ARG A 19 7.076 20.105 -2.631 1.00 43.50 H new ATOM 0 HH11 ARG A 19 8.586 23.080 -3.789 1.00 72.35 H new ATOM 0 HH12 ARG A 19 8.400 23.912 -2.242 1.00 72.35 H new ATOM 0 HH21 ARG A 19 6.840 21.183 -0.648 1.00 42.31 H new ATOM 0 HH22 ARG A 19 7.416 22.844 -0.472 1.00 42.31 H new ATOM 280 N ALA A 20 7.683 15.696 -5.199 1.00 54.40 N ATOM 281 CA ALA A 20 6.994 14.915 -6.219 1.00 0.21 C ATOM 282 C ALA A 20 5.880 14.074 -5.606 1.00 73.54 C ATOM 283 O ALA A 20 4.700 14.287 -5.888 1.00 3.10 O ATOM 284 CB ALA A 20 7.982 14.027 -6.960 1.00 43.02 C ATOM 0 H ALA A 20 8.674 15.476 -5.097 1.00 54.40 H new ATOM 0 HA ALA A 20 6.542 15.608 -6.929 1.00 0.21 H new ATOM 0 HB1 ALA A 20 7.454 13.449 -7.719 1.00 43.02 H new ATOM 0 HB2 ALA A 20 8.740 14.647 -7.438 1.00 43.02 H new ATOM 0 HB3 ALA A 20 8.461 13.348 -6.255 1.00 43.02 H new ATOM 290 N PHE A 21 6.261 13.116 -4.768 1.00 32.51 N ATOM 291 CA PHE A 21 5.293 12.240 -4.117 1.00 3.13 C ATOM 292 C PHE A 21 4.182 13.052 -3.458 1.00 1.21 C ATOM 293 O PHE A 21 2.999 12.759 -3.630 1.00 10.23 O ATOM 294 CB PHE A 21 5.988 11.364 -3.072 1.00 43.31 C ATOM 295 CG PHE A 21 6.642 10.143 -3.653 1.00 10.12 C ATOM 296 CD1 PHE A 21 7.688 10.263 -4.553 1.00 43.22 C ATOM 297 CD2 PHE A 21 6.211 8.875 -3.298 1.00 14.20 C ATOM 298 CE1 PHE A 21 8.291 9.141 -5.090 1.00 31.04 C ATOM 299 CE2 PHE A 21 6.810 7.749 -3.831 1.00 13.22 C ATOM 300 CZ PHE A 21 7.852 7.883 -4.727 1.00 70.51 C ATOM 0 H PHE A 21 7.233 12.926 -4.523 1.00 32.51 H new ATOM 0 HA PHE A 21 4.849 11.601 -4.880 1.00 3.13 H new ATOM 0 HB2 PHE A 21 6.741 11.958 -2.554 1.00 43.31 H new ATOM 0 HB3 PHE A 21 5.257 11.054 -2.325 1.00 43.31 H new ATOM 0 HD1 PHE A 21 8.037 11.245 -4.839 1.00 43.22 H new ATOM 0 HD2 PHE A 21 5.397 8.765 -2.596 1.00 14.20 H new ATOM 0 HE1 PHE A 21 9.104 9.248 -5.792 1.00 31.04 H new ATOM 0 HE2 PHE A 21 6.464 6.766 -3.547 1.00 13.22 H new ATOM 0 HZ PHE A 21 8.323 7.005 -5.143 1.00 70.51 H new ATOM 310 N SER A 22 4.572 14.074 -2.703 1.00 3.04 N ATOM 311 CA SER A 22 3.610 14.927 -2.014 1.00 25.42 C ATOM 312 C SER A 22 2.682 15.614 -3.011 1.00 4.13 C ATOM 313 O SER A 22 1.471 15.682 -2.803 1.00 73.00 O ATOM 314 CB SER A 22 4.339 15.975 -1.171 1.00 15.14 C ATOM 315 OG SER A 22 3.426 16.718 -0.381 1.00 30.44 O ATOM 0 H SER A 22 5.547 14.332 -2.553 1.00 3.04 H new ATOM 0 HA SER A 22 3.008 14.299 -1.358 1.00 25.42 H new ATOM 0 HB2 SER A 22 5.068 15.485 -0.526 1.00 15.14 H new ATOM 0 HB3 SER A 22 4.893 16.650 -1.823 1.00 15.14 H new ATOM 0 HG SER A 22 3.916 17.380 0.150 1.00 30.44 H new ATOM 321 N TYR A 23 3.260 16.123 -4.093 1.00 62.32 N ATOM 322 CA TYR A 23 2.487 16.808 -5.122 1.00 73.41 C ATOM 323 C TYR A 23 1.380 15.907 -5.662 1.00 31.23 C ATOM 324 O TYR A 23 0.244 16.344 -5.849 1.00 21.33 O ATOM 325 CB TYR A 23 3.400 17.252 -6.265 1.00 44.33 C ATOM 326 CG TYR A 23 3.843 18.694 -6.161 1.00 12.41 C ATOM 327 CD1 TYR A 23 4.222 19.239 -4.940 1.00 70.13 C ATOM 328 CD2 TYR A 23 3.883 19.512 -7.284 1.00 14.24 C ATOM 329 CE1 TYR A 23 4.626 20.556 -4.840 1.00 40.13 C ATOM 330 CE2 TYR A 23 4.287 20.830 -7.193 1.00 52.24 C ATOM 331 CZ TYR A 23 4.657 21.348 -5.970 1.00 30.54 C ATOM 332 OH TYR A 23 5.060 22.660 -5.874 1.00 63.24 O ATOM 0 H TYR A 23 4.261 16.074 -4.280 1.00 62.32 H new ATOM 0 HA TYR A 23 2.028 17.687 -4.670 1.00 73.41 H new ATOM 0 HB2 TYR A 23 4.281 16.611 -6.285 1.00 44.33 H new ATOM 0 HB3 TYR A 23 2.879 17.108 -7.212 1.00 44.33 H new ATOM 0 HD1 TYR A 23 4.200 18.622 -4.054 1.00 70.13 H new ATOM 0 HD2 TYR A 23 3.593 19.111 -8.244 1.00 14.24 H new ATOM 0 HE1 TYR A 23 4.916 20.964 -3.883 1.00 40.13 H new ATOM 0 HE2 TYR A 23 4.313 21.452 -8.076 1.00 52.24 H new ATOM 0 HH TYR A 23 5.026 23.078 -6.760 1.00 63.24 H new ATOM 342 N TYR A 24 1.720 14.647 -5.909 1.00 70.23 N ATOM 343 CA TYR A 24 0.757 13.683 -6.429 1.00 51.30 C ATOM 344 C TYR A 24 -0.257 13.295 -5.358 1.00 33.33 C ATOM 345 O TYR A 24 -1.423 13.037 -5.655 1.00 20.45 O ATOM 346 CB TYR A 24 1.478 12.435 -6.941 1.00 41.30 C ATOM 347 CG TYR A 24 2.007 12.577 -8.351 1.00 35.24 C ATOM 348 CD1 TYR A 24 3.067 13.428 -8.633 1.00 44.54 C ATOM 349 CD2 TYR A 24 1.445 11.860 -9.400 1.00 34.13 C ATOM 350 CE1 TYR A 24 3.553 13.562 -9.920 1.00 23.42 C ATOM 351 CE2 TYR A 24 1.925 11.986 -10.689 1.00 32.42 C ATOM 352 CZ TYR A 24 2.979 12.838 -10.944 1.00 20.22 C ATOM 353 OH TYR A 24 3.459 12.967 -12.227 1.00 23.11 O ATOM 0 H TYR A 24 2.655 14.269 -5.758 1.00 70.23 H new ATOM 0 HA TYR A 24 0.224 14.151 -7.256 1.00 51.30 H new ATOM 0 HB2 TYR A 24 2.307 12.205 -6.272 1.00 41.30 H new ATOM 0 HB3 TYR A 24 0.793 11.588 -6.902 1.00 41.30 H new ATOM 0 HD1 TYR A 24 3.520 13.995 -7.833 1.00 44.54 H new ATOM 0 HD2 TYR A 24 0.619 11.193 -9.204 1.00 34.13 H new ATOM 0 HE1 TYR A 24 4.377 14.230 -10.123 1.00 23.42 H new ATOM 0 HE2 TYR A 24 1.477 11.420 -11.493 1.00 32.42 H new ATOM 0 HH TYR A 24 4.415 13.181 -12.199 1.00 23.11 H new ATOM 363 N GLY A 25 0.196 13.256 -4.108 1.00 45.04 N ATOM 364 CA GLY A 25 -0.683 12.899 -3.011 1.00 22.15 C ATOM 365 C GLY A 25 0.076 12.614 -1.729 1.00 73.14 C ATOM 366 O GLY A 25 1.275 12.334 -1.742 1.00 13.32 O ATOM 0 H GLY A 25 1.157 13.466 -3.836 1.00 45.04 H new ATOM 0 HA2 GLY A 25 -1.391 13.710 -2.838 1.00 22.15 H new ATOM 0 HA3 GLY A 25 -1.266 12.020 -3.288 1.00 22.15 H new ATOM 370 N PRO A 26 -0.630 12.685 -0.591 1.00 1.20 N ATOM 371 CA PRO A 26 -0.035 12.437 0.726 1.00 54.03 C ATOM 372 C PRO A 26 0.331 10.971 0.929 1.00 34.25 C ATOM 373 O PRO A 26 -0.545 10.111 1.037 1.00 22.02 O ATOM 374 CB PRO A 26 -1.142 12.852 1.699 1.00 41.25 C ATOM 375 CG PRO A 26 -2.406 12.690 0.926 1.00 24.04 C ATOM 376 CD PRO A 26 -2.063 13.013 -0.502 1.00 3.24 C ATOM 0 HA PRO A 26 0.898 12.984 0.862 1.00 54.03 H new ATOM 0 HB2 PRO A 26 -1.140 12.226 2.591 1.00 41.25 H new ATOM 0 HB3 PRO A 26 -1.011 13.882 2.032 1.00 41.25 H new ATOM 0 HG2 PRO A 26 -2.790 11.674 1.015 1.00 24.04 H new ATOM 0 HG3 PRO A 26 -3.181 13.358 1.302 1.00 24.04 H new ATOM 0 HD2 PRO A 26 -2.655 12.422 -1.201 1.00 3.24 H new ATOM 0 HD3 PRO A 26 -2.250 14.062 -0.733 1.00 3.24 H new ATOM 384 N LEU A 27 1.628 10.692 0.982 1.00 22.30 N ATOM 385 CA LEU A 27 2.110 9.328 1.174 1.00 44.23 C ATOM 386 C LEU A 27 2.194 8.984 2.657 1.00 23.23 C ATOM 387 O LEU A 27 1.850 9.798 3.514 1.00 12.01 O ATOM 388 CB LEU A 27 3.482 9.155 0.520 1.00 63.21 C ATOM 389 CG LEU A 27 4.446 10.334 0.659 1.00 21.32 C ATOM 390 CD1 LEU A 27 4.625 10.707 2.123 1.00 70.24 C ATOM 391 CD2 LEU A 27 5.789 10.003 0.023 1.00 15.13 C ATOM 0 H LEU A 27 2.365 11.391 0.895 1.00 22.30 H new ATOM 0 HA LEU A 27 1.401 8.648 0.702 1.00 44.23 H new ATOM 0 HB2 LEU A 27 3.957 8.271 0.947 1.00 63.21 H new ATOM 0 HB3 LEU A 27 3.334 8.956 -0.541 1.00 63.21 H new ATOM 0 HG LEU A 27 4.020 11.190 0.136 1.00 21.32 H new ATOM 0 HD11 LEU A 27 5.314 11.548 2.203 1.00 70.24 H new ATOM 0 HD12 LEU A 27 3.661 10.987 2.548 1.00 70.24 H new ATOM 0 HD13 LEU A 27 5.028 9.854 2.669 1.00 70.24 H new ATOM 0 HD21 LEU A 27 6.462 10.853 0.131 1.00 15.13 H new ATOM 0 HD22 LEU A 27 6.221 9.133 0.517 1.00 15.13 H new ATOM 0 HD23 LEU A 27 5.647 9.786 -1.036 1.00 15.13 H new ATOM 403 N ARG A 28 2.656 7.773 2.953 1.00 0.33 N ATOM 404 CA ARG A 28 2.786 7.322 4.333 1.00 23.43 C ATOM 405 C ARG A 28 4.065 7.865 4.965 1.00 71.23 C ATOM 406 O ARG A 28 4.031 8.481 6.030 1.00 3.24 O ATOM 407 CB ARG A 28 2.784 5.793 4.394 1.00 1.15 C ATOM 408 CG ARG A 28 2.979 5.239 5.796 1.00 10.35 C ATOM 409 CD ARG A 28 1.896 5.730 6.745 1.00 43.22 C ATOM 410 NE ARG A 28 1.896 4.991 8.005 1.00 51.45 N ATOM 411 CZ ARG A 28 1.342 3.793 8.154 1.00 50.33 C ATOM 412 NH1 ARG A 28 0.747 3.202 7.127 1.00 64.32 N ATOM 413 NH2 ARG A 28 1.383 3.184 9.332 1.00 54.32 N ATOM 0 H ARG A 28 2.946 7.087 2.256 1.00 0.33 H new ATOM 0 HA ARG A 28 1.933 7.703 4.895 1.00 23.43 H new ATOM 0 HB2 ARG A 28 1.840 5.423 3.994 1.00 1.15 H new ATOM 0 HB3 ARG A 28 3.575 5.411 3.748 1.00 1.15 H new ATOM 0 HG2 ARG A 28 2.968 4.150 5.763 1.00 10.35 H new ATOM 0 HG3 ARG A 28 3.957 5.537 6.173 1.00 10.35 H new ATOM 0 HD2 ARG A 28 2.045 6.791 6.947 1.00 43.22 H new ATOM 0 HD3 ARG A 28 0.922 5.630 6.266 1.00 43.22 H new ATOM 0 HE ARG A 28 2.346 5.418 8.815 1.00 51.45 H new ATOM 0 HH11 ARG A 28 0.714 3.667 6.220 1.00 64.32 H new ATOM 0 HH12 ARG A 28 0.322 2.282 7.244 1.00 64.32 H new ATOM 0 HH21 ARG A 28 1.840 3.636 10.124 1.00 54.32 H new ATOM 0 HH22 ARG A 28 0.957 2.264 9.446 1.00 54.32 H new ATOM 427 N THR A 29 5.192 7.631 4.300 1.00 5.42 N ATOM 428 CA THR A 29 6.482 8.095 4.796 1.00 10.13 C ATOM 429 C THR A 29 7.557 7.983 3.722 1.00 62.04 C ATOM 430 O THR A 29 7.370 7.307 2.710 1.00 51.12 O ATOM 431 CB THR A 29 6.927 7.297 6.037 1.00 53.24 C ATOM 432 OG1 THR A 29 6.298 6.011 6.043 1.00 71.32 O ATOM 433 CG2 THR A 29 6.577 8.044 7.315 1.00 40.33 C ATOM 0 H THR A 29 5.238 7.123 3.417 1.00 5.42 H new ATOM 0 HA THR A 29 6.356 9.142 5.072 1.00 10.13 H new ATOM 0 HB THR A 29 8.009 7.172 5.993 1.00 53.24 H new ATOM 0 HG1 THR A 29 6.587 5.509 6.834 1.00 71.32 H new ATOM 0 HG21 THR A 29 6.901 7.461 8.177 1.00 40.33 H new ATOM 0 HG22 THR A 29 7.080 9.011 7.321 1.00 40.33 H new ATOM 0 HG23 THR A 29 5.499 8.196 7.364 1.00 40.33 H new ATOM 441 N VAL A 30 8.685 8.649 3.948 1.00 40.35 N ATOM 442 CA VAL A 30 9.792 8.623 2.999 1.00 72.22 C ATOM 443 C VAL A 30 11.076 8.143 3.666 1.00 71.43 C ATOM 444 O VAL A 30 11.248 8.282 4.877 1.00 50.25 O ATOM 445 CB VAL A 30 10.036 10.013 2.382 1.00 74.23 C ATOM 446 CG1 VAL A 30 8.763 10.543 1.740 1.00 74.02 C ATOM 447 CG2 VAL A 30 10.554 10.980 3.436 1.00 74.33 C ATOM 0 H VAL A 30 8.856 9.213 4.780 1.00 40.35 H new ATOM 0 HA VAL A 30 9.514 7.927 2.208 1.00 72.22 H new ATOM 0 HB VAL A 30 10.794 9.918 1.605 1.00 74.23 H new ATOM 0 HG11 VAL A 30 8.955 11.526 1.309 1.00 74.02 H new ATOM 0 HG12 VAL A 30 8.440 9.860 0.955 1.00 74.02 H new ATOM 0 HG13 VAL A 30 7.981 10.624 2.495 1.00 74.02 H new ATOM 0 HG21 VAL A 30 10.721 11.957 2.983 1.00 74.33 H new ATOM 0 HG22 VAL A 30 9.821 11.072 4.237 1.00 74.33 H new ATOM 0 HG23 VAL A 30 11.492 10.605 3.845 1.00 74.33 H new ATOM 457 N TRP A 31 11.974 7.577 2.868 1.00 43.13 N ATOM 458 CA TRP A 31 13.244 7.076 3.381 1.00 44.20 C ATOM 459 C TRP A 31 14.323 7.124 2.305 1.00 44.41 C ATOM 460 O TRP A 31 14.031 7.011 1.114 1.00 34.53 O ATOM 461 CB TRP A 31 13.082 5.644 3.894 1.00 54.42 C ATOM 462 CG TRP A 31 13.728 5.413 5.226 1.00 2.50 C ATOM 463 CD1 TRP A 31 13.222 5.744 6.451 1.00 65.12 C ATOM 464 CD2 TRP A 31 15.001 4.804 5.467 1.00 61.34 C ATOM 465 NE1 TRP A 31 14.104 5.376 7.438 1.00 4.33 N ATOM 466 CE2 TRP A 31 15.203 4.797 6.861 1.00 72.43 C ATOM 467 CE3 TRP A 31 15.989 4.261 4.640 1.00 10.24 C ATOM 468 CZ2 TRP A 31 16.352 4.269 7.444 1.00 41.45 C ATOM 469 CZ3 TRP A 31 17.129 3.739 5.220 1.00 22.44 C ATOM 470 CH2 TRP A 31 17.303 3.745 6.611 1.00 70.12 C ATOM 0 H TRP A 31 11.846 7.453 1.864 1.00 43.13 H new ATOM 0 HA TRP A 31 13.552 7.718 4.207 1.00 44.20 H new ATOM 0 HB2 TRP A 31 12.020 5.410 3.968 1.00 54.42 H new ATOM 0 HB3 TRP A 31 13.510 4.955 3.166 1.00 54.42 H new ATOM 0 HD1 TRP A 31 12.269 6.224 6.619 1.00 65.12 H new ATOM 0 HE1 TRP A 31 13.963 5.512 8.439 1.00 4.33 H new ATOM 0 HE3 TRP A 31 15.863 4.250 3.567 1.00 10.24 H new ATOM 0 HZ2 TRP A 31 16.488 4.273 8.515 1.00 41.45 H new ATOM 0 HZ3 TRP A 31 17.900 3.319 4.591 1.00 22.44 H new ATOM 0 HH2 TRP A 31 18.205 3.328 7.034 1.00 70.12 H new ATOM 481 N ILE A 32 15.571 7.293 2.731 1.00 54.32 N ATOM 482 CA ILE A 32 16.693 7.355 1.802 1.00 34.24 C ATOM 483 C ILE A 32 17.817 6.421 2.237 1.00 44.42 C ATOM 484 O ILE A 32 18.081 6.263 3.428 1.00 0.04 O ATOM 485 CB ILE A 32 17.246 8.787 1.683 1.00 65.11 C ATOM 486 CG1 ILE A 32 16.099 9.798 1.631 1.00 43.13 C ATOM 487 CG2 ILE A 32 18.127 8.913 0.449 1.00 63.11 C ATOM 488 CD1 ILE A 32 15.167 9.594 0.457 1.00 32.12 C ATOM 0 H ILE A 32 15.830 7.389 3.713 1.00 54.32 H new ATOM 0 HA ILE A 32 16.317 7.038 0.829 1.00 34.24 H new ATOM 0 HB ILE A 32 17.853 9.001 2.563 1.00 65.11 H new ATOM 0 HG12 ILE A 32 15.525 9.733 2.556 1.00 43.13 H new ATOM 0 HG13 ILE A 32 16.514 10.805 1.584 1.00 43.13 H new ATOM 0 HG21 ILE A 32 18.511 9.931 0.378 1.00 63.11 H new ATOM 0 HG22 ILE A 32 18.961 8.215 0.525 1.00 63.11 H new ATOM 0 HG23 ILE A 32 17.541 8.683 -0.441 1.00 63.11 H new ATOM 0 HD11 ILE A 32 14.378 10.346 0.484 1.00 32.12 H new ATOM 0 HD12 ILE A 32 15.727 9.689 -0.473 1.00 32.12 H new ATOM 0 HD13 ILE A 32 14.723 8.600 0.513 1.00 32.12 H new ATOM 500 N ALA A 33 18.479 5.807 1.262 1.00 73.34 N ATOM 501 CA ALA A 33 19.578 4.892 1.543 1.00 61.13 C ATOM 502 C ALA A 33 20.921 5.525 1.196 1.00 4.01 C ATOM 503 O ALA A 33 21.280 5.640 0.024 1.00 0.20 O ATOM 504 CB ALA A 33 19.392 3.591 0.775 1.00 12.33 C ATOM 0 H ALA A 33 18.273 5.927 0.270 1.00 73.34 H new ATOM 0 HA ALA A 33 19.573 4.675 2.611 1.00 61.13 H new ATOM 0 HB1 ALA A 33 20.220 2.917 0.995 1.00 12.33 H new ATOM 0 HB2 ALA A 33 18.454 3.123 1.074 1.00 12.33 H new ATOM 0 HB3 ALA A 33 19.368 3.800 -0.294 1.00 12.33 H new ATOM 510 N ARG A 34 21.660 5.935 2.222 1.00 33.45 N ATOM 511 CA ARG A 34 22.963 6.558 2.026 1.00 52.03 C ATOM 512 C ARG A 34 24.019 5.513 1.678 1.00 74.24 C ATOM 513 O ARG A 34 25.017 5.818 1.028 1.00 64.15 O ATOM 514 CB ARG A 34 23.381 7.322 3.283 1.00 4.21 C ATOM 515 CG ARG A 34 23.574 8.812 3.054 1.00 4.41 C ATOM 516 CD ARG A 34 24.433 9.437 4.143 1.00 34.22 C ATOM 517 NE ARG A 34 23.659 10.322 5.010 1.00 33.50 N ATOM 518 CZ ARG A 34 24.062 10.707 6.215 1.00 24.35 C ATOM 519 NH1 ARG A 34 25.226 10.287 6.694 1.00 14.41 N ATOM 520 NH2 ARG A 34 23.302 11.513 6.945 1.00 42.53 N ATOM 0 H ARG A 34 21.378 5.847 3.198 1.00 33.45 H new ATOM 0 HA ARG A 34 22.881 7.258 1.194 1.00 52.03 H new ATOM 0 HB2 ARG A 34 22.625 7.177 4.055 1.00 4.21 H new ATOM 0 HB3 ARG A 34 24.310 6.898 3.663 1.00 4.21 H new ATOM 0 HG2 ARG A 34 24.041 8.974 2.083 1.00 4.41 H new ATOM 0 HG3 ARG A 34 22.603 9.306 3.027 1.00 4.41 H new ATOM 0 HD2 ARG A 34 24.888 8.649 4.743 1.00 34.22 H new ATOM 0 HD3 ARG A 34 25.247 9.999 3.685 1.00 34.22 H new ATOM 0 HE ARG A 34 22.759 10.663 4.671 1.00 33.50 H new ATOM 0 HH11 ARG A 34 25.813 9.667 6.136 1.00 14.41 H new ATOM 0 HH12 ARG A 34 25.534 10.584 7.620 1.00 14.41 H new ATOM 0 HH21 ARG A 34 22.406 11.838 6.581 1.00 42.53 H new ATOM 0 HH22 ARG A 34 23.613 11.808 7.871 1.00 42.53 H new ATOM 534 N ASN A 35 23.790 4.279 2.116 1.00 55.11 N ATOM 535 CA ASN A 35 24.721 3.189 1.852 1.00 64.23 C ATOM 536 C ASN A 35 25.096 3.139 0.374 1.00 53.35 C ATOM 537 O ASN A 35 26.260 3.273 -0.002 1.00 45.13 O ATOM 538 CB ASN A 35 24.110 1.853 2.280 1.00 64.03 C ATOM 539 CG ASN A 35 24.860 1.218 3.436 1.00 55.55 C ATOM 540 OD1 ASN A 35 25.296 1.906 4.359 1.00 63.22 O ATOM 541 ND2 ASN A 35 25.012 -0.100 3.389 1.00 14.12 N ATOM 0 H ASN A 35 22.967 4.009 2.655 1.00 55.11 H new ATOM 0 HA ASN A 35 25.626 3.370 2.432 1.00 64.23 H new ATOM 0 HB2 ASN A 35 23.070 2.007 2.566 1.00 64.03 H new ATOM 0 HB3 ASN A 35 24.109 1.169 1.432 1.00 64.03 H new ATOM 0 HD21 ASN A 35 25.507 -0.583 4.138 1.00 14.12 H new ATOM 0 HD22 ASN A 35 24.633 -0.629 2.604 1.00 14.12 H new ATOM 548 N PRO A 36 24.085 2.943 -0.486 1.00 42.04 N ATOM 549 CA PRO A 36 24.283 2.872 -1.937 1.00 51.53 C ATOM 550 C PRO A 36 24.661 4.222 -2.537 1.00 53.51 C ATOM 551 O PRO A 36 24.585 5.263 -1.883 1.00 22.32 O ATOM 552 CB PRO A 36 22.917 2.419 -2.460 1.00 25.44 C ATOM 553 CG PRO A 36 21.947 2.868 -1.423 1.00 12.03 C ATOM 554 CD PRO A 36 22.672 2.775 -0.109 1.00 11.43 C ATOM 0 HA PRO A 36 25.101 2.203 -2.204 1.00 51.53 H new ATOM 0 HB2 PRO A 36 22.696 2.866 -3.429 1.00 25.44 H new ATOM 0 HB3 PRO A 36 22.883 1.338 -2.593 1.00 25.44 H new ATOM 0 HG2 PRO A 36 21.616 3.889 -1.614 1.00 12.03 H new ATOM 0 HG3 PRO A 36 21.057 2.239 -1.423 1.00 12.03 H new ATOM 0 HD2 PRO A 36 22.347 3.550 0.585 1.00 11.43 H new ATOM 0 HD3 PRO A 36 22.498 1.816 0.379 1.00 11.43 H new ATOM 562 N PRO A 37 25.077 4.209 -3.812 1.00 62.31 N ATOM 563 CA PRO A 37 25.474 5.425 -4.528 1.00 61.44 C ATOM 564 C PRO A 37 24.288 6.337 -4.823 1.00 4.12 C ATOM 565 O PRO A 37 24.453 7.540 -5.021 1.00 13.12 O ATOM 566 CB PRO A 37 26.073 4.889 -5.831 1.00 42.12 C ATOM 567 CG PRO A 37 25.424 3.563 -6.030 1.00 20.02 C ATOM 568 CD PRO A 37 25.192 3.005 -4.653 1.00 0.22 C ATOM 0 HA PRO A 37 26.164 6.035 -3.945 1.00 61.44 H new ATOM 0 HB2 PRO A 37 25.868 5.559 -6.666 1.00 42.12 H new ATOM 0 HB3 PRO A 37 27.156 4.792 -5.758 1.00 42.12 H new ATOM 0 HG2 PRO A 37 24.484 3.666 -6.573 1.00 20.02 H new ATOM 0 HG3 PRO A 37 26.061 2.901 -6.617 1.00 20.02 H new ATOM 0 HD2 PRO A 37 24.287 2.399 -4.612 1.00 0.22 H new ATOM 0 HD3 PRO A 37 26.017 2.369 -4.333 1.00 0.22 H new ATOM 576 N GLY A 38 23.093 5.756 -4.850 1.00 14.33 N ATOM 577 CA GLY A 38 21.897 6.533 -5.120 1.00 72.34 C ATOM 578 C GLY A 38 20.641 5.683 -5.119 1.00 44.24 C ATOM 579 O GLY A 38 20.107 5.351 -6.178 1.00 20.24 O ATOM 0 H GLY A 38 22.931 4.762 -4.690 1.00 14.33 H new ATOM 0 HA2 GLY A 38 21.801 7.319 -4.371 1.00 72.34 H new ATOM 0 HA3 GLY A 38 21.998 7.026 -6.087 1.00 72.34 H new ATOM 583 N PHE A 39 20.170 5.329 -3.929 1.00 35.04 N ATOM 584 CA PHE A 39 18.970 4.510 -3.794 1.00 43.22 C ATOM 585 C PHE A 39 18.108 4.995 -2.632 1.00 63.02 C ATOM 586 O PHE A 39 18.593 5.161 -1.513 1.00 75.31 O ATOM 587 CB PHE A 39 19.350 3.043 -3.585 1.00 33.20 C ATOM 588 CG PHE A 39 18.919 2.146 -4.710 1.00 34.10 C ATOM 589 CD1 PHE A 39 19.452 2.300 -5.979 1.00 71.45 C ATOM 590 CD2 PHE A 39 17.980 1.149 -4.498 1.00 55.30 C ATOM 591 CE1 PHE A 39 19.058 1.476 -7.017 1.00 34.31 C ATOM 592 CE2 PHE A 39 17.582 0.322 -5.531 1.00 52.24 C ATOM 593 CZ PHE A 39 18.120 0.486 -6.793 1.00 5.44 C ATOM 0 H PHE A 39 20.600 5.596 -3.044 1.00 35.04 H new ATOM 0 HA PHE A 39 18.392 4.601 -4.714 1.00 43.22 H new ATOM 0 HB2 PHE A 39 20.431 2.969 -3.466 1.00 33.20 H new ATOM 0 HB3 PHE A 39 18.902 2.689 -2.657 1.00 33.20 H new ATOM 0 HD1 PHE A 39 20.184 3.073 -6.160 1.00 71.45 H new ATOM 0 HD2 PHE A 39 17.554 1.017 -3.514 1.00 55.30 H new ATOM 0 HE1 PHE A 39 19.483 1.606 -8.001 1.00 34.31 H new ATOM 0 HE2 PHE A 39 16.851 -0.452 -5.352 1.00 52.24 H new ATOM 0 HZ PHE A 39 17.808 -0.158 -7.602 1.00 5.44 H new ATOM 603 N ALA A 40 16.828 5.221 -2.907 1.00 52.02 N ATOM 604 CA ALA A 40 15.897 5.685 -1.886 1.00 5.23 C ATOM 605 C ALA A 40 14.600 4.885 -1.920 1.00 61.41 C ATOM 606 O ALA A 40 14.237 4.315 -2.950 1.00 4.23 O ATOM 607 CB ALA A 40 15.610 7.168 -2.068 1.00 52.15 C ATOM 0 H ALA A 40 16.412 5.090 -3.829 1.00 52.02 H new ATOM 0 HA ALA A 40 16.361 5.533 -0.911 1.00 5.23 H new ATOM 0 HB1 ALA A 40 14.913 7.501 -1.299 1.00 52.15 H new ATOM 0 HB2 ALA A 40 16.539 7.731 -1.984 1.00 52.15 H new ATOM 0 HB3 ALA A 40 15.171 7.336 -3.052 1.00 52.15 H new ATOM 613 N PHE A 41 13.905 4.844 -0.788 1.00 51.43 N ATOM 614 CA PHE A 41 12.648 4.112 -0.689 1.00 21.43 C ATOM 615 C PHE A 41 11.548 4.995 -0.109 1.00 55.51 C ATOM 616 O PHE A 41 11.806 5.856 0.732 1.00 14.24 O ATOM 617 CB PHE A 41 12.827 2.865 0.180 1.00 4.15 C ATOM 618 CG PHE A 41 14.022 2.037 -0.198 1.00 40.12 C ATOM 619 CD1 PHE A 41 14.031 1.308 -1.376 1.00 40.35 C ATOM 620 CD2 PHE A 41 15.136 1.987 0.625 1.00 52.24 C ATOM 621 CE1 PHE A 41 15.129 0.546 -1.728 1.00 71.41 C ATOM 622 CE2 PHE A 41 16.237 1.227 0.278 1.00 35.21 C ATOM 623 CZ PHE A 41 16.233 0.504 -0.899 1.00 54.10 C ATOM 0 H PHE A 41 14.191 5.309 0.073 1.00 51.43 H new ATOM 0 HA PHE A 41 12.354 3.808 -1.694 1.00 21.43 H new ATOM 0 HB2 PHE A 41 12.921 3.169 1.223 1.00 4.15 H new ATOM 0 HB3 PHE A 41 11.931 2.249 0.107 1.00 4.15 H new ATOM 0 HD1 PHE A 41 13.170 1.335 -2.027 1.00 40.35 H new ATOM 0 HD2 PHE A 41 15.144 2.548 1.548 1.00 52.24 H new ATOM 0 HE1 PHE A 41 15.124 -0.016 -2.650 1.00 71.41 H new ATOM 0 HE2 PHE A 41 17.100 1.198 0.927 1.00 35.21 H new ATOM 0 HZ PHE A 41 17.091 -0.093 -1.170 1.00 54.10 H new ATOM 633 N VAL A 42 10.319 4.777 -0.566 1.00 73.43 N ATOM 634 CA VAL A 42 9.178 5.552 -0.094 1.00 31.11 C ATOM 635 C VAL A 42 7.979 4.652 0.184 1.00 1.01 C ATOM 636 O VAL A 42 7.805 3.618 -0.459 1.00 60.24 O ATOM 637 CB VAL A 42 8.770 6.630 -1.115 1.00 44.34 C ATOM 638 CG1 VAL A 42 7.588 7.435 -0.599 1.00 54.42 C ATOM 639 CG2 VAL A 42 9.949 7.540 -1.428 1.00 61.33 C ATOM 0 H VAL A 42 10.088 4.069 -1.263 1.00 73.43 H new ATOM 0 HA VAL A 42 9.487 6.037 0.832 1.00 31.11 H new ATOM 0 HB VAL A 42 8.466 6.135 -2.038 1.00 44.34 H new ATOM 0 HG11 VAL A 42 7.314 8.192 -1.334 1.00 54.42 H new ATOM 0 HG12 VAL A 42 6.741 6.770 -0.430 1.00 54.42 H new ATOM 0 HG13 VAL A 42 7.860 7.921 0.338 1.00 54.42 H new ATOM 0 HG21 VAL A 42 9.643 8.296 -2.151 1.00 61.33 H new ATOM 0 HG22 VAL A 42 10.285 8.028 -0.513 1.00 61.33 H new ATOM 0 HG23 VAL A 42 10.765 6.949 -1.844 1.00 61.33 H new ATOM 649 N GLU A 43 7.155 5.054 1.147 1.00 60.22 N ATOM 650 CA GLU A 43 5.972 4.282 1.510 1.00 40.50 C ATOM 651 C GLU A 43 4.701 5.096 1.283 1.00 42.13 C ATOM 652 O GLU A 43 4.581 6.226 1.756 1.00 2.23 O ATOM 653 CB GLU A 43 6.053 3.841 2.973 1.00 61.33 C ATOM 654 CG GLU A 43 5.051 2.758 3.338 1.00 3.30 C ATOM 655 CD GLU A 43 5.328 2.141 4.695 1.00 24.10 C ATOM 656 OE1 GLU A 43 6.031 2.781 5.505 1.00 10.31 O ATOM 657 OE2 GLU A 43 4.843 1.018 4.947 1.00 44.30 O ATOM 0 H GLU A 43 7.285 5.908 1.689 1.00 60.22 H new ATOM 0 HA GLU A 43 5.936 3.398 0.873 1.00 40.50 H new ATOM 0 HB2 GLU A 43 7.060 3.477 3.179 1.00 61.33 H new ATOM 0 HB3 GLU A 43 5.889 4.707 3.614 1.00 61.33 H new ATOM 0 HG2 GLU A 43 4.046 3.181 3.334 1.00 3.30 H new ATOM 0 HG3 GLU A 43 5.072 1.978 2.577 1.00 3.30 H new ATOM 664 N PHE A 44 3.755 4.513 0.554 1.00 11.21 N ATOM 665 CA PHE A 44 2.493 5.184 0.262 1.00 63.41 C ATOM 666 C PHE A 44 1.345 4.542 1.035 1.00 73.13 C ATOM 667 O PHE A 44 1.110 3.338 0.931 1.00 1.45 O ATOM 668 CB PHE A 44 2.202 5.136 -1.239 1.00 50.44 C ATOM 669 CG PHE A 44 2.138 6.493 -1.881 1.00 11.14 C ATOM 670 CD1 PHE A 44 1.138 7.389 -1.538 1.00 40.22 C ATOM 671 CD2 PHE A 44 3.078 6.873 -2.825 1.00 73.32 C ATOM 672 CE1 PHE A 44 1.076 8.638 -2.127 1.00 65.14 C ATOM 673 CE2 PHE A 44 3.021 8.120 -3.418 1.00 5.35 C ATOM 674 CZ PHE A 44 2.020 9.004 -3.067 1.00 50.42 C ATOM 0 H PHE A 44 3.838 3.578 0.155 1.00 11.21 H new ATOM 0 HA PHE A 44 2.582 6.224 0.575 1.00 63.41 H new ATOM 0 HB2 PHE A 44 2.974 4.546 -1.732 1.00 50.44 H new ATOM 0 HB3 PHE A 44 1.255 4.621 -1.401 1.00 50.44 H new ATOM 0 HD1 PHE A 44 0.399 7.108 -0.802 1.00 40.22 H new ATOM 0 HD2 PHE A 44 3.865 6.187 -3.101 1.00 73.32 H new ATOM 0 HE1 PHE A 44 0.291 9.327 -1.853 1.00 65.14 H new ATOM 0 HE2 PHE A 44 3.758 8.403 -4.155 1.00 5.35 H new ATOM 0 HZ PHE A 44 1.975 9.980 -3.527 1.00 50.42 H new ATOM 684 N GLU A 45 0.633 5.355 1.809 1.00 1.11 N ATOM 685 CA GLU A 45 -0.490 4.866 2.601 1.00 41.45 C ATOM 686 C GLU A 45 -1.432 4.023 1.746 1.00 41.22 C ATOM 687 O GLU A 45 -1.991 3.031 2.214 1.00 54.45 O ATOM 688 CB GLU A 45 -1.256 6.038 3.218 1.00 4.32 C ATOM 689 CG GLU A 45 -2.255 5.619 4.283 1.00 30.21 C ATOM 690 CD GLU A 45 -2.697 6.777 5.157 1.00 72.34 C ATOM 691 OE1 GLU A 45 -1.924 7.749 5.288 1.00 54.14 O ATOM 692 OE2 GLU A 45 -3.815 6.711 5.709 1.00 20.32 O ATOM 0 H GLU A 45 0.814 6.354 1.905 1.00 1.11 H new ATOM 0 HA GLU A 45 -0.093 4.240 3.400 1.00 41.45 H new ATOM 0 HB2 GLU A 45 -0.543 6.737 3.655 1.00 4.32 H new ATOM 0 HB3 GLU A 45 -1.783 6.573 2.428 1.00 4.32 H new ATOM 0 HG2 GLU A 45 -3.128 5.177 3.803 1.00 30.21 H new ATOM 0 HG3 GLU A 45 -1.810 4.846 4.909 1.00 30.21 H new ATOM 699 N ASP A 46 -1.602 4.426 0.491 1.00 32.52 N ATOM 700 CA ASP A 46 -2.476 3.708 -0.430 1.00 24.30 C ATOM 701 C ASP A 46 -1.720 3.303 -1.692 1.00 5.04 C ATOM 702 O ASP A 46 -0.787 3.977 -2.129 1.00 24.01 O ATOM 703 CB ASP A 46 -3.683 4.571 -0.799 1.00 10.01 C ATOM 704 CG ASP A 46 -4.963 4.085 -0.147 1.00 42.22 C ATOM 705 OD1 ASP A 46 -4.885 3.521 0.964 1.00 71.22 O ATOM 706 OD2 ASP A 46 -6.042 4.269 -0.749 1.00 20.24 O ATOM 0 H ASP A 46 -1.147 5.245 0.089 1.00 32.52 H new ATOM 0 HA ASP A 46 -2.825 2.804 0.069 1.00 24.30 H new ATOM 0 HB2 ASP A 46 -3.494 5.602 -0.499 1.00 10.01 H new ATOM 0 HB3 ASP A 46 -3.808 4.572 -1.882 1.00 10.01 H new ATOM 711 N PRO A 47 -2.129 2.175 -2.291 1.00 51.32 N ATOM 712 CA PRO A 47 -1.504 1.655 -3.511 1.00 23.14 C ATOM 713 C PRO A 47 -1.796 2.525 -4.729 1.00 21.35 C ATOM 714 O PRO A 47 -0.904 2.809 -5.529 1.00 33.54 O ATOM 715 CB PRO A 47 -2.142 0.273 -3.675 1.00 2.33 C ATOM 716 CG PRO A 47 -3.452 0.376 -2.974 1.00 33.54 C ATOM 717 CD PRO A 47 -3.235 1.322 -1.825 1.00 62.42 C ATOM 0 HA PRO A 47 -0.417 1.631 -3.434 1.00 23.14 H new ATOM 0 HB2 PRO A 47 -2.275 0.020 -4.727 1.00 2.33 H new ATOM 0 HB3 PRO A 47 -1.518 -0.506 -3.236 1.00 2.33 H new ATOM 0 HG2 PRO A 47 -4.225 0.749 -3.645 1.00 33.54 H new ATOM 0 HG3 PRO A 47 -3.782 -0.600 -2.619 1.00 33.54 H new ATOM 0 HD2 PRO A 47 -4.130 1.906 -1.610 1.00 62.42 H new ATOM 0 HD3 PRO A 47 -2.974 0.790 -0.910 1.00 62.42 H new ATOM 725 N ARG A 48 -3.050 2.945 -4.863 1.00 5.14 N ATOM 726 CA ARG A 48 -3.459 3.782 -5.984 1.00 2.21 C ATOM 727 C ARG A 48 -2.574 5.021 -6.089 1.00 13.23 C ATOM 728 O ARG A 48 -2.068 5.346 -7.163 1.00 75.01 O ATOM 729 CB ARG A 48 -4.923 4.199 -5.829 1.00 45.11 C ATOM 730 CG ARG A 48 -5.422 5.095 -6.950 1.00 55.24 C ATOM 731 CD ARG A 48 -6.923 5.321 -6.856 1.00 74.42 C ATOM 732 NE ARG A 48 -7.297 6.007 -5.623 1.00 14.41 N ATOM 733 CZ ARG A 48 -8.516 6.480 -5.385 1.00 70.14 C ATOM 734 NH1 ARG A 48 -9.473 6.340 -6.292 1.00 52.00 N ATOM 735 NH2 ARG A 48 -8.779 7.093 -4.239 1.00 12.44 N ATOM 0 H ARG A 48 -3.800 2.719 -4.209 1.00 5.14 H new ATOM 0 HA ARG A 48 -3.349 3.200 -6.899 1.00 2.21 H new ATOM 0 HB2 ARG A 48 -5.544 3.304 -5.786 1.00 45.11 H new ATOM 0 HB3 ARG A 48 -5.046 4.718 -4.878 1.00 45.11 H new ATOM 0 HG2 ARG A 48 -4.905 6.054 -6.908 1.00 55.24 H new ATOM 0 HG3 ARG A 48 -5.180 4.644 -7.913 1.00 55.24 H new ATOM 0 HD2 ARG A 48 -7.256 5.908 -7.712 1.00 74.42 H new ATOM 0 HD3 ARG A 48 -7.438 4.362 -6.908 1.00 74.42 H new ATOM 0 HE ARG A 48 -6.584 6.130 -4.905 1.00 14.41 H new ATOM 0 HH11 ARG A 48 -9.274 5.869 -7.174 1.00 52.00 H new ATOM 0 HH12 ARG A 48 -10.408 6.704 -6.107 1.00 52.00 H new ATOM 0 HH21 ARG A 48 -8.045 7.202 -3.539 1.00 12.44 H new ATOM 0 HH22 ARG A 48 -9.715 7.456 -4.058 1.00 12.44 H new ATOM 749 N ASP A 49 -2.393 5.709 -4.967 1.00 30.34 N ATOM 750 CA ASP A 49 -1.569 6.912 -4.932 1.00 34.34 C ATOM 751 C ASP A 49 -0.140 6.604 -5.366 1.00 42.43 C ATOM 752 O ASP A 49 0.497 7.406 -6.049 1.00 65.52 O ATOM 753 CB ASP A 49 -1.570 7.515 -3.526 1.00 43.01 C ATOM 754 CG ASP A 49 -2.971 7.718 -2.983 1.00 63.34 C ATOM 755 OD1 ASP A 49 -3.668 6.709 -2.749 1.00 74.42 O ATOM 756 OD2 ASP A 49 -3.369 8.885 -2.792 1.00 51.50 O ATOM 0 H ASP A 49 -2.806 5.454 -4.070 1.00 30.34 H new ATOM 0 HA ASP A 49 -1.993 7.634 -5.629 1.00 34.34 H new ATOM 0 HB2 ASP A 49 -1.014 6.862 -2.853 1.00 43.01 H new ATOM 0 HB3 ASP A 49 -1.048 8.472 -3.544 1.00 43.01 H new ATOM 761 N ALA A 50 0.358 5.439 -4.965 1.00 12.32 N ATOM 762 CA ALA A 50 1.711 5.026 -5.314 1.00 23.24 C ATOM 763 C ALA A 50 1.814 4.676 -6.794 1.00 41.23 C ATOM 764 O ALA A 50 2.799 5.010 -7.453 1.00 32.34 O ATOM 765 CB ALA A 50 2.138 3.842 -4.459 1.00 22.31 C ATOM 0 H ALA A 50 -0.156 4.765 -4.398 1.00 12.32 H new ATOM 0 HA ALA A 50 2.382 5.863 -5.118 1.00 23.24 H new ATOM 0 HB1 ALA A 50 3.151 3.544 -4.730 1.00 22.31 H new ATOM 0 HB2 ALA A 50 2.113 4.125 -3.407 1.00 22.31 H new ATOM 0 HB3 ALA A 50 1.457 3.008 -4.627 1.00 22.31 H new ATOM 771 N GLU A 51 0.791 4.002 -7.311 1.00 44.20 N ATOM 772 CA GLU A 51 0.769 3.607 -8.714 1.00 61.53 C ATOM 773 C GLU A 51 0.806 4.830 -9.625 1.00 44.23 C ATOM 774 O GLU A 51 1.541 4.860 -10.613 1.00 1.13 O ATOM 775 CB GLU A 51 -0.479 2.773 -9.012 1.00 40.04 C ATOM 776 CG GLU A 51 -0.370 1.328 -8.554 1.00 40.50 C ATOM 777 CD GLU A 51 -1.224 0.388 -9.382 1.00 64.30 C ATOM 778 OE1 GLU A 51 -2.393 0.731 -9.654 1.00 61.02 O ATOM 779 OE2 GLU A 51 -0.721 -0.692 -9.758 1.00 74.30 O ATOM 0 H GLU A 51 -0.032 3.719 -6.780 1.00 44.20 H new ATOM 0 HA GLU A 51 1.656 3.004 -8.909 1.00 61.53 H new ATOM 0 HB2 GLU A 51 -1.339 3.235 -8.527 1.00 40.04 H new ATOM 0 HB3 GLU A 51 -0.670 2.792 -10.085 1.00 40.04 H new ATOM 0 HG2 GLU A 51 0.671 1.011 -8.609 1.00 40.50 H new ATOM 0 HG3 GLU A 51 -0.669 1.259 -7.508 1.00 40.50 H new ATOM 786 N ASP A 52 0.009 5.837 -9.286 1.00 73.04 N ATOM 787 CA ASP A 52 -0.050 7.064 -10.073 1.00 30.15 C ATOM 788 C ASP A 52 1.238 7.868 -9.922 1.00 72.34 C ATOM 789 O ASP A 52 1.783 8.373 -10.903 1.00 5.02 O ATOM 790 CB ASP A 52 -1.248 7.912 -9.644 1.00 53.42 C ATOM 791 CG ASP A 52 -1.602 8.974 -10.668 1.00 23.53 C ATOM 792 OD1 ASP A 52 -0.878 9.989 -10.744 1.00 74.00 O ATOM 793 OD2 ASP A 52 -2.601 8.788 -11.393 1.00 10.21 O ATOM 0 H ASP A 52 -0.605 5.828 -8.472 1.00 73.04 H new ATOM 0 HA ASP A 52 -0.165 6.790 -11.122 1.00 30.15 H new ATOM 0 HB2 ASP A 52 -2.110 7.264 -9.484 1.00 53.42 H new ATOM 0 HB3 ASP A 52 -1.028 8.391 -8.690 1.00 53.42 H new ATOM 798 N ALA A 53 1.717 7.982 -8.688 1.00 43.32 N ATOM 799 CA ALA A 53 2.941 8.724 -8.410 1.00 20.31 C ATOM 800 C ALA A 53 4.124 8.137 -9.172 1.00 60.42 C ATOM 801 O ALA A 53 4.899 8.865 -9.792 1.00 23.20 O ATOM 802 CB ALA A 53 3.225 8.731 -6.915 1.00 41.32 C ATOM 0 H ALA A 53 1.277 7.570 -7.865 1.00 43.32 H new ATOM 0 HA ALA A 53 2.799 9.751 -8.747 1.00 20.31 H new ATOM 0 HB1 ALA A 53 4.142 9.288 -6.721 1.00 41.32 H new ATOM 0 HB2 ALA A 53 2.395 9.203 -6.389 1.00 41.32 H new ATOM 0 HB3 ALA A 53 3.342 7.706 -6.562 1.00 41.32 H new ATOM 808 N VAL A 54 4.257 6.815 -9.122 1.00 25.12 N ATOM 809 CA VAL A 54 5.346 6.130 -9.808 1.00 62.22 C ATOM 810 C VAL A 54 5.208 6.257 -11.321 1.00 63.31 C ATOM 811 O VAL A 54 6.142 6.673 -12.007 1.00 12.40 O ATOM 812 CB VAL A 54 5.396 4.637 -9.432 1.00 11.14 C ATOM 813 CG1 VAL A 54 6.492 3.926 -10.210 1.00 71.14 C ATOM 814 CG2 VAL A 54 5.602 4.473 -7.933 1.00 64.45 C ATOM 0 H VAL A 54 3.624 6.197 -8.614 1.00 25.12 H new ATOM 0 HA VAL A 54 6.272 6.609 -9.489 1.00 62.22 H new ATOM 0 HB VAL A 54 4.442 4.181 -9.697 1.00 11.14 H new ATOM 0 HG11 VAL A 54 6.512 2.873 -9.931 1.00 71.14 H new ATOM 0 HG12 VAL A 54 6.296 4.015 -11.279 1.00 71.14 H new ATOM 0 HG13 VAL A 54 7.455 4.381 -9.979 1.00 71.14 H new ATOM 0 HG21 VAL A 54 5.635 3.412 -7.684 1.00 64.45 H new ATOM 0 HG22 VAL A 54 6.541 4.944 -7.641 1.00 64.45 H new ATOM 0 HG23 VAL A 54 4.778 4.946 -7.399 1.00 64.45 H new ATOM 824 N ARG A 55 4.037 5.895 -11.835 1.00 64.04 N ATOM 825 CA ARG A 55 3.777 5.968 -13.268 1.00 60.30 C ATOM 826 C ARG A 55 4.116 7.352 -13.813 1.00 13.24 C ATOM 827 O ARG A 55 4.672 7.483 -14.902 1.00 62.10 O ATOM 828 CB ARG A 55 2.312 5.638 -13.559 1.00 72.10 C ATOM 829 CG ARG A 55 2.030 4.147 -13.650 1.00 55.23 C ATOM 830 CD ARG A 55 0.622 3.817 -13.180 1.00 55.01 C ATOM 831 NE ARG A 55 -0.136 3.085 -14.192 1.00 23.12 N ATOM 832 CZ ARG A 55 -0.740 3.667 -15.222 1.00 23.12 C ATOM 833 NH1 ARG A 55 -0.675 4.982 -15.376 1.00 2.22 N ATOM 834 NH2 ARG A 55 -1.410 2.933 -16.101 1.00 21.22 N ATOM 0 H ARG A 55 3.254 5.548 -11.281 1.00 64.04 H new ATOM 0 HA ARG A 55 4.413 5.236 -13.765 1.00 60.30 H new ATOM 0 HB2 ARG A 55 1.689 6.070 -12.776 1.00 72.10 H new ATOM 0 HB3 ARG A 55 2.021 6.112 -14.496 1.00 72.10 H new ATOM 0 HG2 ARG A 55 2.159 3.813 -14.680 1.00 55.23 H new ATOM 0 HG3 ARG A 55 2.754 3.601 -13.045 1.00 55.23 H new ATOM 0 HD2 ARG A 55 0.674 3.224 -12.267 1.00 55.01 H new ATOM 0 HD3 ARG A 55 0.097 4.740 -12.931 1.00 55.01 H new ATOM 0 HE ARG A 55 -0.205 2.071 -14.103 1.00 23.12 H new ATOM 0 HH11 ARG A 55 -0.160 5.550 -14.703 1.00 2.22 H new ATOM 0 HH12 ARG A 55 -1.140 5.426 -16.168 1.00 2.22 H new ATOM 0 HH21 ARG A 55 -1.462 1.921 -15.986 1.00 21.22 H new ATOM 0 HH22 ARG A 55 -1.873 3.381 -16.892 1.00 21.22 H new ATOM 848 N GLY A 56 3.775 8.384 -13.046 1.00 21.10 N ATOM 849 CA GLY A 56 4.050 9.745 -13.468 1.00 62.34 C ATOM 850 C GLY A 56 5.515 10.109 -13.333 1.00 3.03 C ATOM 851 O GLY A 56 6.143 10.558 -14.293 1.00 31.40 O ATOM 0 H GLY A 56 3.313 8.301 -12.140 1.00 21.10 H new ATOM 0 HA2 GLY A 56 3.742 9.869 -14.506 1.00 62.34 H new ATOM 0 HA3 GLY A 56 3.451 10.435 -12.873 1.00 62.34 H new ATOM 855 N LEU A 57 6.062 9.918 -12.137 1.00 43.13 N ATOM 856 CA LEU A 57 7.463 10.231 -11.878 1.00 44.31 C ATOM 857 C LEU A 57 8.374 9.513 -12.869 1.00 1.12 C ATOM 858 O LEU A 57 9.196 10.139 -13.538 1.00 2.30 O ATOM 859 CB LEU A 57 7.838 9.840 -10.448 1.00 33.15 C ATOM 860 CG LEU A 57 7.776 10.959 -9.407 1.00 52.15 C ATOM 861 CD1 LEU A 57 6.427 11.660 -9.457 1.00 32.52 C ATOM 862 CD2 LEU A 57 8.042 10.408 -8.014 1.00 71.33 C ATOM 0 H LEU A 57 5.557 9.548 -11.332 1.00 43.13 H new ATOM 0 HA LEU A 57 7.598 11.306 -12.001 1.00 44.31 H new ATOM 0 HB2 LEU A 57 7.176 9.036 -10.127 1.00 33.15 H new ATOM 0 HB3 LEU A 57 8.850 9.435 -10.457 1.00 33.15 H new ATOM 0 HG LEU A 57 8.551 11.689 -9.640 1.00 52.15 H new ATOM 0 HD11 LEU A 57 6.401 12.453 -8.710 1.00 32.52 H new ATOM 0 HD12 LEU A 57 6.277 12.090 -10.447 1.00 32.52 H new ATOM 0 HD13 LEU A 57 5.635 10.940 -9.250 1.00 32.52 H new ATOM 0 HD21 LEU A 57 7.994 11.219 -7.287 1.00 71.33 H new ATOM 0 HD22 LEU A 57 7.291 9.657 -7.770 1.00 71.33 H new ATOM 0 HD23 LEU A 57 9.032 9.953 -7.986 1.00 71.33 H new ATOM 874 N ASP A 58 8.220 8.197 -12.959 1.00 25.35 N ATOM 875 CA ASP A 58 9.027 7.393 -13.870 1.00 53.21 C ATOM 876 C ASP A 58 8.618 7.641 -15.319 1.00 22.21 C ATOM 877 O ASP A 58 9.463 7.697 -16.212 1.00 32.13 O ATOM 878 CB ASP A 58 8.886 5.908 -13.535 1.00 25.45 C ATOM 879 CG ASP A 58 10.005 5.072 -14.126 1.00 53.33 C ATOM 880 OD1 ASP A 58 11.095 5.629 -14.373 1.00 1.30 O ATOM 881 OD2 ASP A 58 9.790 3.861 -14.342 1.00 11.41 O ATOM 0 H ASP A 58 7.544 7.664 -12.412 1.00 25.35 H new ATOM 0 HA ASP A 58 10.070 7.687 -13.749 1.00 53.21 H new ATOM 0 HB2 ASP A 58 8.875 5.782 -12.452 1.00 25.45 H new ATOM 0 HB3 ASP A 58 7.929 5.544 -13.908 1.00 25.45 H new ATOM 886 N GLY A 59 7.316 7.787 -15.545 1.00 1.52 N ATOM 887 CA GLY A 59 6.818 8.026 -16.887 1.00 23.01 C ATOM 888 C GLY A 59 7.224 9.384 -17.423 1.00 3.50 C ATOM 889 O GLY A 59 7.159 9.630 -18.628 1.00 2.03 O ATOM 0 H GLY A 59 6.597 7.744 -14.823 1.00 1.52 H new ATOM 0 HA2 GLY A 59 7.192 7.249 -17.554 1.00 23.01 H new ATOM 0 HA3 GLY A 59 5.731 7.949 -16.887 1.00 23.01 H new ATOM 893 N LYS A 60 7.643 10.271 -16.527 1.00 3.33 N ATOM 894 CA LYS A 60 8.061 11.613 -16.915 1.00 4.12 C ATOM 895 C LYS A 60 8.921 12.251 -15.828 1.00 60.11 C ATOM 896 O LYS A 60 8.486 12.400 -14.686 1.00 52.22 O ATOM 897 CB LYS A 60 6.839 12.490 -17.193 1.00 15.21 C ATOM 898 CG LYS A 60 6.842 13.118 -18.576 1.00 72.52 C ATOM 899 CD LYS A 60 7.948 14.150 -18.718 1.00 33.04 C ATOM 900 CE LYS A 60 7.642 15.407 -17.918 1.00 0.21 C ATOM 901 NZ LYS A 60 7.421 16.586 -18.801 1.00 3.03 N ATOM 0 H LYS A 60 7.702 10.084 -15.526 1.00 3.33 H new ATOM 0 HA LYS A 60 8.657 11.532 -17.824 1.00 4.12 H new ATOM 0 HB2 LYS A 60 5.937 11.889 -17.078 1.00 15.21 H new ATOM 0 HB3 LYS A 60 6.792 13.281 -16.444 1.00 15.21 H new ATOM 0 HG2 LYS A 60 6.970 12.341 -19.329 1.00 72.52 H new ATOM 0 HG3 LYS A 60 5.877 13.589 -18.765 1.00 72.52 H new ATOM 0 HD2 LYS A 60 8.892 13.723 -18.380 1.00 33.04 H new ATOM 0 HD3 LYS A 60 8.074 14.408 -19.770 1.00 33.04 H new ATOM 0 HE2 LYS A 60 6.756 15.241 -17.305 1.00 0.21 H new ATOM 0 HE3 LYS A 60 8.467 15.613 -17.236 1.00 0.21 H new ATOM 0 HZ1 LYS A 60 7.215 17.422 -18.218 1.00 3.03 H new ATOM 0 HZ2 LYS A 60 8.275 16.760 -19.368 1.00 3.03 H new ATOM 0 HZ3 LYS A 60 6.618 16.399 -19.435 1.00 3.03 H new ATOM 915 N VAL A 61 10.143 12.627 -16.191 1.00 63.20 N ATOM 916 CA VAL A 61 11.063 13.251 -15.248 1.00 11.15 C ATOM 917 C VAL A 61 10.383 14.382 -14.483 1.00 71.55 C ATOM 918 O VAL A 61 9.454 15.014 -14.987 1.00 61.23 O ATOM 919 CB VAL A 61 12.309 13.806 -15.962 1.00 42.43 C ATOM 920 CG1 VAL A 61 12.926 12.746 -16.862 1.00 55.22 C ATOM 921 CG2 VAL A 61 11.955 15.053 -16.759 1.00 12.13 C ATOM 0 H VAL A 61 10.519 12.510 -17.132 1.00 63.20 H new ATOM 0 HA VAL A 61 11.371 12.475 -14.547 1.00 11.15 H new ATOM 0 HB VAL A 61 13.046 14.081 -15.207 1.00 42.43 H new ATOM 0 HG11 VAL A 61 13.805 13.157 -17.358 1.00 55.22 H new ATOM 0 HG12 VAL A 61 13.217 11.884 -16.262 1.00 55.22 H new ATOM 0 HG13 VAL A 61 12.198 12.437 -17.612 1.00 55.22 H new ATOM 0 HG21 VAL A 61 12.847 15.432 -17.257 1.00 12.13 H new ATOM 0 HG22 VAL A 61 11.200 14.806 -17.505 1.00 12.13 H new ATOM 0 HG23 VAL A 61 11.564 15.816 -16.086 1.00 12.13 H new ATOM 931 N ILE A 62 10.852 14.631 -13.265 1.00 73.25 N ATOM 932 CA ILE A 62 10.290 15.687 -12.432 1.00 73.54 C ATOM 933 C ILE A 62 11.322 16.773 -12.150 1.00 63.41 C ATOM 934 O ILE A 62 12.404 16.495 -11.631 1.00 62.24 O ATOM 935 CB ILE A 62 9.768 15.130 -11.095 1.00 14.25 C ATOM 936 CG1 ILE A 62 9.343 16.275 -10.172 1.00 60.31 C ATOM 937 CG2 ILE A 62 10.831 14.271 -10.427 1.00 3.41 C ATOM 938 CD1 ILE A 62 10.404 16.667 -9.168 1.00 20.32 C ATOM 0 H ILE A 62 11.619 14.116 -12.833 1.00 73.25 H new ATOM 0 HA ILE A 62 9.457 16.118 -12.987 1.00 73.54 H new ATOM 0 HB ILE A 62 8.897 14.506 -11.294 1.00 14.25 H new ATOM 0 HG12 ILE A 62 9.089 17.144 -10.778 1.00 60.31 H new ATOM 0 HG13 ILE A 62 8.439 15.984 -9.638 1.00 60.31 H new ATOM 0 HG21 ILE A 62 10.446 13.885 -9.483 1.00 3.41 H new ATOM 0 HG22 ILE A 62 11.090 13.438 -11.081 1.00 3.41 H new ATOM 0 HG23 ILE A 62 11.719 14.873 -10.238 1.00 3.41 H new ATOM 0 HD11 ILE A 62 10.034 17.484 -8.548 1.00 20.32 H new ATOM 0 HD12 ILE A 62 10.642 15.811 -8.537 1.00 20.32 H new ATOM 0 HD13 ILE A 62 11.302 16.990 -9.695 1.00 20.32 H new ATOM 950 N CYS A 63 10.980 18.009 -12.493 1.00 44.42 N ATOM 951 CA CYS A 63 11.878 19.139 -12.276 1.00 34.22 C ATOM 952 C CYS A 63 13.288 18.814 -12.758 1.00 34.41 C ATOM 953 O CYS A 63 14.272 19.150 -12.101 1.00 62.14 O ATOM 954 CB CYS A 63 11.907 19.516 -10.794 1.00 15.00 C ATOM 955 SG CYS A 63 12.255 21.263 -10.484 1.00 22.14 S ATOM 0 H CYS A 63 10.088 18.255 -12.922 1.00 44.42 H new ATOM 0 HA CYS A 63 11.503 19.985 -12.852 1.00 34.22 H new ATOM 0 HB2 CYS A 63 10.946 19.263 -10.347 1.00 15.00 H new ATOM 0 HB3 CYS A 63 12.662 18.911 -10.291 1.00 15.00 H new ATOM 0 HG CYS A 63 12.257 21.484 -9.203 1.00 22.14 H new ATOM 961 N GLY A 64 13.377 18.155 -13.910 1.00 12.24 N ATOM 962 CA GLY A 64 14.670 17.794 -14.459 1.00 63.42 C ATOM 963 C GLY A 64 15.326 16.657 -13.700 1.00 11.33 C ATOM 964 O GLY A 64 16.550 16.603 -13.585 1.00 43.22 O ATOM 0 H GLY A 64 12.577 17.865 -14.472 1.00 12.24 H new ATOM 0 HA2 GLY A 64 14.550 17.508 -15.504 1.00 63.42 H new ATOM 0 HA3 GLY A 64 15.325 18.665 -14.440 1.00 63.42 H new ATOM 968 N SER A 65 14.509 15.748 -13.178 1.00 23.32 N ATOM 969 CA SER A 65 15.017 14.610 -12.420 1.00 71.21 C ATOM 970 C SER A 65 14.464 13.299 -12.972 1.00 40.43 C ATOM 971 O SER A 65 13.330 12.919 -12.680 1.00 2.12 O ATOM 972 CB SER A 65 14.648 14.749 -10.942 1.00 5.32 C ATOM 973 OG SER A 65 14.728 16.100 -10.522 1.00 2.34 O ATOM 0 H SER A 65 13.493 15.777 -13.266 1.00 23.32 H new ATOM 0 HA SER A 65 16.103 14.596 -12.517 1.00 71.21 H new ATOM 0 HB2 SER A 65 13.638 14.373 -10.779 1.00 5.32 H new ATOM 0 HB3 SER A 65 15.317 14.137 -10.338 1.00 5.32 H new ATOM 0 HG SER A 65 13.841 16.513 -10.578 1.00 2.34 H new ATOM 979 N ARG A 66 15.274 12.613 -13.772 1.00 54.55 N ATOM 980 CA ARG A 66 14.866 11.346 -14.367 1.00 43.22 C ATOM 981 C ARG A 66 15.179 10.182 -13.432 1.00 75.52 C ATOM 982 O ARG A 66 15.764 9.180 -13.845 1.00 4.45 O ATOM 983 CB ARG A 66 15.570 11.139 -15.710 1.00 12.12 C ATOM 984 CG ARG A 66 17.083 11.047 -15.597 1.00 33.02 C ATOM 985 CD ARG A 66 17.644 9.965 -16.506 1.00 23.24 C ATOM 986 NE ARG A 66 17.772 8.683 -15.817 1.00 13.31 N ATOM 987 CZ ARG A 66 18.178 7.567 -16.411 1.00 21.10 C ATOM 988 NH1 ARG A 66 18.495 7.575 -17.698 1.00 61.44 N ATOM 989 NH2 ARG A 66 18.268 6.440 -15.717 1.00 24.41 N ATOM 0 H ARG A 66 16.216 12.913 -14.023 1.00 54.55 H new ATOM 0 HA ARG A 66 13.789 11.379 -14.531 1.00 43.22 H new ATOM 0 HB2 ARG A 66 15.193 10.227 -16.172 1.00 12.12 H new ATOM 0 HB3 ARG A 66 15.313 11.963 -16.376 1.00 12.12 H new ATOM 0 HG2 ARG A 66 17.528 12.008 -15.856 1.00 33.02 H new ATOM 0 HG3 ARG A 66 17.360 10.836 -14.564 1.00 33.02 H new ATOM 0 HD2 ARG A 66 16.994 9.847 -17.373 1.00 23.24 H new ATOM 0 HD3 ARG A 66 18.620 10.275 -16.879 1.00 23.24 H new ATOM 0 HE ARG A 66 17.537 8.643 -14.825 1.00 13.31 H new ATOM 0 HH11 ARG A 66 18.427 8.440 -18.235 1.00 61.44 H new ATOM 0 HH12 ARG A 66 18.807 6.716 -18.152 1.00 61.44 H new ATOM 0 HH21 ARG A 66 18.025 6.430 -14.726 1.00 24.41 H new ATOM 0 HH22 ARG A 66 18.580 5.583 -16.174 1.00 24.41 H new ATOM 1003 N VAL A 67 14.784 10.320 -12.170 1.00 74.05 N ATOM 1004 CA VAL A 67 15.021 9.280 -11.177 1.00 35.33 C ATOM 1005 C VAL A 67 14.352 7.971 -11.581 1.00 71.33 C ATOM 1006 O VAL A 67 13.611 7.918 -12.563 1.00 65.35 O ATOM 1007 CB VAL A 67 14.502 9.701 -9.789 1.00 30.31 C ATOM 1008 CG1 VAL A 67 15.371 10.805 -9.207 1.00 15.43 C ATOM 1009 CG2 VAL A 67 13.049 10.143 -9.875 1.00 40.11 C ATOM 0 H VAL A 67 14.298 11.142 -11.812 1.00 74.05 H new ATOM 0 HA VAL A 67 16.100 9.132 -11.125 1.00 35.33 H new ATOM 0 HB VAL A 67 14.556 8.840 -9.123 1.00 30.31 H new ATOM 0 HG11 VAL A 67 14.989 11.090 -8.226 1.00 15.43 H new ATOM 0 HG12 VAL A 67 16.396 10.447 -9.108 1.00 15.43 H new ATOM 0 HG13 VAL A 67 15.352 11.671 -9.869 1.00 15.43 H new ATOM 0 HG21 VAL A 67 12.699 10.437 -8.885 1.00 40.11 H new ATOM 0 HG22 VAL A 67 12.966 10.990 -10.556 1.00 40.11 H new ATOM 0 HG23 VAL A 67 12.439 9.319 -10.246 1.00 40.11 H new ATOM 1019 N ARG A 68 14.618 6.916 -10.818 1.00 13.15 N ATOM 1020 CA ARG A 68 14.042 5.606 -11.097 1.00 2.02 C ATOM 1021 C ARG A 68 12.989 5.242 -10.055 1.00 35.21 C ATOM 1022 O ARG A 68 13.316 4.888 -8.922 1.00 64.23 O ATOM 1023 CB ARG A 68 15.138 4.539 -11.124 1.00 2.12 C ATOM 1024 CG ARG A 68 15.813 4.393 -12.478 1.00 1.51 C ATOM 1025 CD ARG A 68 14.918 3.669 -13.471 1.00 42.23 C ATOM 1026 NE ARG A 68 15.056 2.218 -13.376 1.00 1.43 N ATOM 1027 CZ ARG A 68 16.085 1.544 -13.875 1.00 63.54 C ATOM 1028 NH1 ARG A 68 17.062 2.185 -14.502 1.00 53.21 N ATOM 1029 NH2 ARG A 68 16.140 0.224 -13.748 1.00 74.21 N ATOM 0 H ARG A 68 15.229 6.943 -10.002 1.00 13.15 H new ATOM 0 HA ARG A 68 13.561 5.649 -12.074 1.00 2.02 H new ATOM 0 HB2 ARG A 68 15.892 4.786 -10.376 1.00 2.12 H new ATOM 0 HB3 ARG A 68 14.707 3.580 -10.837 1.00 2.12 H new ATOM 0 HG2 ARG A 68 16.067 5.379 -12.867 1.00 1.51 H new ATOM 0 HG3 ARG A 68 16.748 3.845 -12.362 1.00 1.51 H new ATOM 0 HD2 ARG A 68 13.879 3.947 -13.292 1.00 42.23 H new ATOM 0 HD3 ARG A 68 15.164 3.991 -14.483 1.00 42.23 H new ATOM 0 HE ARG A 68 14.322 1.694 -12.900 1.00 1.43 H new ATOM 0 HH11 ARG A 68 17.024 3.199 -14.602 1.00 53.21 H new ATOM 0 HH12 ARG A 68 17.851 1.664 -14.884 1.00 53.21 H new ATOM 0 HH21 ARG A 68 15.391 -0.274 -13.267 1.00 74.21 H new ATOM 0 HH22 ARG A 68 16.931 -0.293 -14.132 1.00 74.21 H new ATOM 1043 N VAL A 69 11.721 5.332 -10.446 1.00 22.31 N ATOM 1044 CA VAL A 69 10.619 5.011 -9.547 1.00 1.33 C ATOM 1045 C VAL A 69 9.943 3.706 -9.950 1.00 31.34 C ATOM 1046 O VAL A 69 9.679 3.470 -11.128 1.00 41.53 O ATOM 1047 CB VAL A 69 9.567 6.136 -9.525 1.00 42.20 C ATOM 1048 CG1 VAL A 69 8.608 5.948 -8.360 1.00 33.21 C ATOM 1049 CG2 VAL A 69 10.244 7.497 -9.454 1.00 61.33 C ATOM 0 H VAL A 69 11.432 5.625 -11.379 1.00 22.31 H new ATOM 0 HA VAL A 69 11.045 4.903 -8.550 1.00 1.33 H new ATOM 0 HB VAL A 69 8.991 6.089 -10.449 1.00 42.20 H new ATOM 0 HG11 VAL A 69 7.872 6.752 -8.361 1.00 33.21 H new ATOM 0 HG12 VAL A 69 8.098 4.990 -8.459 1.00 33.21 H new ATOM 0 HG13 VAL A 69 9.165 5.967 -7.423 1.00 33.21 H new ATOM 0 HG21 VAL A 69 9.486 8.280 -9.439 1.00 61.33 H new ATOM 0 HG22 VAL A 69 10.846 7.557 -8.547 1.00 61.33 H new ATOM 0 HG23 VAL A 69 10.886 7.630 -10.325 1.00 61.33 H new ATOM 1059 N GLU A 70 9.665 2.860 -8.962 1.00 54.31 N ATOM 1060 CA GLU A 70 9.019 1.578 -9.215 1.00 32.42 C ATOM 1061 C GLU A 70 8.371 1.035 -7.944 1.00 55.23 C ATOM 1062 O GLU A 70 8.635 1.520 -6.843 1.00 54.11 O ATOM 1063 CB GLU A 70 10.034 0.568 -9.754 1.00 21.45 C ATOM 1064 CG GLU A 70 9.791 0.173 -11.200 1.00 73.44 C ATOM 1065 CD GLU A 70 10.901 0.632 -12.125 1.00 52.24 C ATOM 1066 OE1 GLU A 70 12.009 0.063 -12.051 1.00 65.45 O ATOM 1067 OE2 GLU A 70 10.660 1.562 -12.924 1.00 0.13 O ATOM 0 H GLU A 70 9.877 3.040 -7.981 1.00 54.31 H new ATOM 0 HA GLU A 70 8.240 1.734 -9.962 1.00 32.42 H new ATOM 0 HB2 GLU A 70 11.035 0.989 -9.665 1.00 21.45 H new ATOM 0 HB3 GLU A 70 10.008 -0.327 -9.133 1.00 21.45 H new ATOM 0 HG2 GLU A 70 9.694 -0.911 -11.265 1.00 73.44 H new ATOM 0 HG3 GLU A 70 8.845 0.599 -11.535 1.00 73.44 H new ATOM 1074 N LEU A 71 7.521 0.027 -8.105 1.00 55.10 N ATOM 1075 CA LEU A 71 6.833 -0.582 -6.972 1.00 20.23 C ATOM 1076 C LEU A 71 7.395 -1.969 -6.675 1.00 50.14 C ATOM 1077 O LEU A 71 7.291 -2.880 -7.496 1.00 71.23 O ATOM 1078 CB LEU A 71 5.332 -0.677 -7.251 1.00 41.33 C ATOM 1079 CG LEU A 71 4.631 0.636 -7.602 1.00 72.04 C ATOM 1080 CD1 LEU A 71 3.244 0.366 -8.165 1.00 12.31 C ATOM 1081 CD2 LEU A 71 4.546 1.539 -6.380 1.00 45.05 C ATOM 0 H LEU A 71 7.292 -0.386 -9.009 1.00 55.10 H new ATOM 0 HA LEU A 71 6.994 0.050 -6.099 1.00 20.23 H new ATOM 0 HB2 LEU A 71 5.179 -1.378 -8.071 1.00 41.33 H new ATOM 0 HB3 LEU A 71 4.846 -1.102 -6.373 1.00 41.33 H new ATOM 0 HG LEU A 71 5.218 1.146 -8.366 1.00 72.04 H new ATOM 0 HD11 LEU A 71 2.760 1.312 -8.409 1.00 12.31 H new ATOM 0 HD12 LEU A 71 3.329 -0.241 -9.066 1.00 12.31 H new ATOM 0 HD13 LEU A 71 2.648 -0.166 -7.424 1.00 12.31 H new ATOM 0 HD21 LEU A 71 4.044 2.469 -6.649 1.00 45.05 H new ATOM 0 HD22 LEU A 71 3.982 1.036 -5.595 1.00 45.05 H new ATOM 0 HD23 LEU A 71 5.551 1.760 -6.020 1.00 45.05 H new ATOM 1093 N SER A 72 7.989 -2.121 -5.496 1.00 71.51 N ATOM 1094 CA SER A 72 8.569 -3.397 -5.092 1.00 12.24 C ATOM 1095 C SER A 72 7.477 -4.399 -4.728 1.00 63.15 C ATOM 1096 O SER A 72 7.676 -5.611 -4.815 1.00 63.34 O ATOM 1097 CB SER A 72 9.511 -3.199 -3.903 1.00 11.43 C ATOM 1098 OG SER A 72 10.738 -2.622 -4.315 1.00 21.30 O ATOM 0 H SER A 72 8.081 -1.377 -4.804 1.00 71.51 H new ATOM 0 HA SER A 72 9.136 -3.793 -5.934 1.00 12.24 H new ATOM 0 HB2 SER A 72 9.035 -2.558 -3.161 1.00 11.43 H new ATOM 0 HB3 SER A 72 9.700 -4.158 -3.421 1.00 11.43 H new ATOM 0 HG SER A 72 11.322 -2.504 -3.537 1.00 21.30 H new ATOM 1104 N THR A 73 6.322 -3.884 -4.320 1.00 55.05 N ATOM 1105 CA THR A 73 5.198 -4.732 -3.943 1.00 11.34 C ATOM 1106 C THR A 73 3.875 -4.130 -4.403 1.00 45.35 C ATOM 1107 O THR A 73 3.638 -2.933 -4.244 1.00 32.22 O ATOM 1108 CB THR A 73 5.146 -4.950 -2.419 1.00 2.34 C ATOM 1109 OG1 THR A 73 6.439 -5.331 -1.934 1.00 52.41 O ATOM 1110 CG2 THR A 73 4.128 -6.022 -2.059 1.00 43.45 C ATOM 0 H THR A 73 6.140 -2.883 -4.242 1.00 55.05 H new ATOM 0 HA THR A 73 5.348 -5.692 -4.436 1.00 11.34 H new ATOM 0 HB THR A 73 4.844 -4.013 -1.951 1.00 2.34 H new ATOM 0 HG1 THR A 73 6.398 -5.466 -0.964 1.00 52.41 H new ATOM 0 HG21 THR A 73 4.110 -6.158 -0.978 1.00 43.45 H new ATOM 0 HG22 THR A 73 3.140 -5.716 -2.403 1.00 43.45 H new ATOM 0 HG23 THR A 73 4.404 -6.961 -2.538 1.00 43.45 H new ATOM 1118 N GLY A 74 3.016 -4.968 -4.976 1.00 44.31 N ATOM 1119 CA GLY A 74 1.728 -4.499 -5.451 1.00 34.12 C ATOM 1120 C GLY A 74 1.737 -4.180 -6.933 1.00 34.13 C ATOM 1121 O GLY A 74 0.863 -3.468 -7.426 1.00 40.51 O ATOM 0 H GLY A 74 3.189 -5.963 -5.119 1.00 44.31 H new ATOM 0 HA2 GLY A 74 0.972 -5.258 -5.251 1.00 34.12 H new ATOM 0 HA3 GLY A 74 1.441 -3.608 -4.893 1.00 34.12 H new ATOM 1125 N MET A 75 2.728 -4.707 -7.644 1.00 32.51 N ATOM 1126 CA MET A 75 2.847 -4.474 -9.078 1.00 73.04 C ATOM 1127 C MET A 75 3.061 -5.786 -9.827 1.00 15.12 C ATOM 1128 O MET A 75 4.189 -6.196 -10.100 1.00 11.13 O ATOM 1129 CB MET A 75 4.003 -3.515 -9.367 1.00 2.35 C ATOM 1130 CG MET A 75 4.272 -3.315 -10.849 1.00 64.42 C ATOM 1131 SD MET A 75 5.893 -3.927 -11.349 1.00 61.33 S ATOM 1132 CE MET A 75 6.397 -2.650 -12.500 1.00 21.25 C ATOM 0 H MET A 75 3.460 -5.298 -7.250 1.00 32.51 H new ATOM 0 HA MET A 75 1.916 -4.025 -9.425 1.00 73.04 H new ATOM 0 HB2 MET A 75 3.785 -2.549 -8.912 1.00 2.35 H new ATOM 0 HB3 MET A 75 4.907 -3.895 -8.890 1.00 2.35 H new ATOM 0 HG2 MET A 75 3.501 -3.825 -11.426 1.00 64.42 H new ATOM 0 HG3 MET A 75 4.199 -2.254 -11.088 1.00 64.42 H new ATOM 0 HE1 MET A 75 7.384 -2.887 -12.897 1.00 21.25 H new ATOM 0 HE2 MET A 75 5.680 -2.595 -13.319 1.00 21.25 H new ATOM 0 HE3 MET A 75 6.434 -1.690 -11.985 1.00 21.25 H new ATOM 1142 N PRO A 76 1.953 -6.462 -10.167 1.00 51.50 N ATOM 1143 CA PRO A 76 1.994 -7.737 -10.889 1.00 11.14 C ATOM 1144 C PRO A 76 2.455 -7.571 -12.333 1.00 34.32 C ATOM 1145 O PRO A 76 1.825 -6.862 -13.118 1.00 34.42 O ATOM 1146 CB PRO A 76 0.541 -8.217 -10.843 1.00 22.34 C ATOM 1147 CG PRO A 76 -0.265 -6.973 -10.693 1.00 24.34 C ATOM 1148 CD PRO A 76 0.575 -6.032 -9.874 1.00 21.10 C ATOM 0 HA PRO A 76 2.702 -8.435 -10.443 1.00 11.14 H new ATOM 0 HB2 PRO A 76 0.273 -8.755 -11.752 1.00 22.34 H new ATOM 0 HB3 PRO A 76 0.376 -8.899 -10.009 1.00 22.34 H new ATOM 0 HG2 PRO A 76 -0.500 -6.541 -11.666 1.00 24.34 H new ATOM 0 HG3 PRO A 76 -1.214 -7.180 -10.198 1.00 24.34 H new ATOM 0 HD2 PRO A 76 0.409 -4.993 -10.159 1.00 21.10 H new ATOM 0 HD3 PRO A 76 0.347 -6.111 -8.811 1.00 21.10 H new ATOM 1156 N ARG A 77 3.557 -8.230 -12.677 1.00 14.14 N ATOM 1157 CA ARG A 77 4.102 -8.155 -14.027 1.00 13.43 C ATOM 1158 C ARG A 77 4.407 -9.548 -14.568 1.00 72.13 C ATOM 1159 O ARG A 77 4.228 -10.548 -13.873 1.00 23.03 O ATOM 1160 CB ARG A 77 5.371 -7.301 -14.040 1.00 63.31 C ATOM 1161 CG ARG A 77 5.305 -6.126 -15.002 1.00 1.15 C ATOM 1162 CD ARG A 77 6.694 -5.620 -15.360 1.00 32.40 C ATOM 1163 NE ARG A 77 6.897 -5.556 -16.805 1.00 13.12 N ATOM 1164 CZ ARG A 77 7.952 -4.985 -17.374 1.00 3.52 C ATOM 1165 NH1 ARG A 77 8.896 -4.432 -16.624 1.00 13.20 N ATOM 1166 NH2 ARG A 77 8.066 -4.966 -18.696 1.00 1.13 N ATOM 0 H ARG A 77 4.090 -8.822 -12.039 1.00 14.14 H new ATOM 0 HA ARG A 77 3.354 -7.691 -14.669 1.00 13.43 H new ATOM 0 HB2 ARG A 77 5.556 -6.926 -13.034 1.00 63.31 H new ATOM 0 HB3 ARG A 77 6.220 -7.931 -14.307 1.00 63.31 H new ATOM 0 HG2 ARG A 77 4.781 -6.426 -15.909 1.00 1.15 H new ATOM 0 HG3 ARG A 77 4.727 -5.318 -14.553 1.00 1.15 H new ATOM 0 HD2 ARG A 77 6.841 -4.630 -14.929 1.00 32.40 H new ATOM 0 HD3 ARG A 77 7.444 -6.275 -14.917 1.00 32.40 H new ATOM 0 HE ARG A 77 6.190 -5.973 -17.410 1.00 13.12 H new ATOM 0 HH11 ARG A 77 8.812 -4.445 -15.608 1.00 13.20 H new ATOM 0 HH12 ARG A 77 9.705 -3.994 -17.064 1.00 13.20 H new ATOM 0 HH21 ARG A 77 7.343 -5.390 -19.276 1.00 1.13 H new ATOM 0 HH22 ARG A 77 8.877 -4.527 -19.132 1.00 1.13 H new ATOM 1180 N ARG A 78 4.867 -9.606 -15.814 1.00 10.42 N ATOM 1181 CA ARG A 78 5.195 -10.876 -16.449 1.00 60.02 C ATOM 1182 C ARG A 78 6.539 -11.401 -15.952 1.00 73.44 C ATOM 1183 O ARG A 78 6.911 -12.542 -16.227 1.00 75.23 O ATOM 1184 CB ARG A 78 5.229 -10.716 -17.970 1.00 73.23 C ATOM 1185 CG ARG A 78 6.352 -9.819 -18.464 1.00 21.23 C ATOM 1186 CD ARG A 78 5.819 -8.494 -18.984 1.00 52.41 C ATOM 1187 NE ARG A 78 4.952 -8.671 -20.146 1.00 41.41 N ATOM 1188 CZ ARG A 78 5.403 -8.951 -21.364 1.00 3.14 C ATOM 1189 NH1 ARG A 78 6.705 -9.086 -21.577 1.00 52.10 N ATOM 1190 NH2 ARG A 78 4.552 -9.097 -22.371 1.00 33.44 N ATOM 0 H ARG A 78 5.021 -8.788 -16.403 1.00 10.42 H new ATOM 0 HA ARG A 78 4.422 -11.597 -16.183 1.00 60.02 H new ATOM 0 HB2 ARG A 78 5.333 -11.700 -18.428 1.00 73.23 H new ATOM 0 HB3 ARG A 78 4.275 -10.308 -18.305 1.00 73.23 H new ATOM 0 HG2 ARG A 78 7.056 -9.636 -17.653 1.00 21.23 H new ATOM 0 HG3 ARG A 78 6.903 -10.327 -19.256 1.00 21.23 H new ATOM 0 HD2 ARG A 78 5.265 -7.990 -18.192 1.00 52.41 H new ATOM 0 HD3 ARG A 78 6.654 -7.847 -19.250 1.00 52.41 H new ATOM 0 HE ARG A 78 3.945 -8.574 -20.015 1.00 41.41 H new ATOM 0 HH11 ARG A 78 7.362 -8.975 -20.805 1.00 52.10 H new ATOM 0 HH12 ARG A 78 7.049 -9.301 -22.513 1.00 52.10 H new ATOM 0 HH21 ARG A 78 3.550 -8.994 -22.211 1.00 33.44 H new ATOM 0 HH22 ARG A 78 4.900 -9.312 -23.305 1.00 33.44 H new ATOM 1204 N SER A 79 7.263 -10.561 -15.220 1.00 33.10 N ATOM 1205 CA SER A 79 8.567 -10.939 -14.688 1.00 51.04 C ATOM 1206 C SER A 79 8.427 -12.027 -13.629 1.00 20.54 C ATOM 1207 O SER A 79 7.385 -12.152 -12.985 1.00 71.31 O ATOM 1208 CB SER A 79 9.271 -9.719 -14.092 1.00 44.45 C ATOM 1209 OG SER A 79 10.612 -9.632 -14.545 1.00 34.24 O ATOM 0 H SER A 79 6.969 -9.614 -14.982 1.00 33.10 H new ATOM 0 HA SER A 79 9.167 -11.331 -15.509 1.00 51.04 H new ATOM 0 HB2 SER A 79 8.731 -8.813 -14.368 1.00 44.45 H new ATOM 0 HB3 SER A 79 9.255 -9.781 -13.004 1.00 44.45 H new ATOM 0 HG SER A 79 10.990 -8.766 -14.284 1.00 34.24 H new ATOM 1215 N ARG A 80 9.485 -12.813 -13.453 1.00 75.11 N ATOM 1216 CA ARG A 80 9.480 -13.892 -12.473 1.00 24.22 C ATOM 1217 C ARG A 80 9.820 -13.365 -11.082 1.00 3.50 C ATOM 1218 O ARG A 80 10.704 -13.891 -10.405 1.00 72.45 O ATOM 1219 CB ARG A 80 10.478 -14.979 -12.875 1.00 64.54 C ATOM 1220 CG ARG A 80 9.993 -15.860 -14.015 1.00 35.53 C ATOM 1221 CD ARG A 80 11.004 -15.913 -15.149 1.00 24.24 C ATOM 1222 NE ARG A 80 10.875 -14.773 -16.052 1.00 15.24 N ATOM 1223 CZ ARG A 80 11.716 -14.526 -17.050 1.00 33.23 C ATOM 1224 NH1 ARG A 80 12.742 -15.336 -17.272 1.00 12.13 N ATOM 1225 NH2 ARG A 80 11.531 -13.468 -17.829 1.00 10.25 N ATOM 0 H ARG A 80 10.356 -12.722 -13.976 1.00 75.11 H new ATOM 0 HA ARG A 80 8.478 -14.320 -12.446 1.00 24.22 H new ATOM 0 HB2 ARG A 80 11.417 -14.508 -13.165 1.00 64.54 H new ATOM 0 HB3 ARG A 80 10.689 -15.605 -12.008 1.00 64.54 H new ATOM 0 HG2 ARG A 80 9.808 -16.868 -13.644 1.00 35.53 H new ATOM 0 HG3 ARG A 80 9.043 -15.480 -14.391 1.00 35.53 H new ATOM 0 HD2 ARG A 80 12.012 -15.935 -14.735 1.00 24.24 H new ATOM 0 HD3 ARG A 80 10.870 -16.837 -15.711 1.00 24.24 H new ATOM 0 HE ARG A 80 10.096 -14.131 -15.909 1.00 15.24 H new ATOM 0 HH11 ARG A 80 12.887 -16.151 -16.676 1.00 12.13 H new ATOM 0 HH12 ARG A 80 13.386 -15.144 -18.039 1.00 12.13 H new ATOM 0 HH21 ARG A 80 10.742 -12.843 -17.662 1.00 10.25 H new ATOM 0 HH22 ARG A 80 12.178 -13.279 -18.595 1.00 10.25 H new ATOM 1239 N PHE A 81 9.113 -12.321 -10.662 1.00 3.33 N ATOM 1240 CA PHE A 81 9.341 -11.720 -9.352 1.00 71.44 C ATOM 1241 C PHE A 81 8.986 -12.699 -8.236 1.00 41.25 C ATOM 1242 O PHE A 81 7.822 -13.056 -8.056 1.00 72.03 O ATOM 1243 CB PHE A 81 8.516 -10.440 -9.205 1.00 4.04 C ATOM 1244 CG PHE A 81 8.918 -9.355 -10.162 1.00 1.51 C ATOM 1245 CD1 PHE A 81 10.254 -9.046 -10.360 1.00 24.45 C ATOM 1246 CD2 PHE A 81 7.959 -8.642 -10.864 1.00 2.12 C ATOM 1247 CE1 PHE A 81 10.628 -8.048 -11.240 1.00 75.40 C ATOM 1248 CE2 PHE A 81 8.326 -7.643 -11.746 1.00 23.22 C ATOM 1249 CZ PHE A 81 9.662 -7.345 -11.933 1.00 71.22 C ATOM 0 H PHE A 81 8.378 -11.873 -11.209 1.00 3.33 H new ATOM 0 HA PHE A 81 10.400 -11.473 -9.272 1.00 71.44 H new ATOM 0 HB2 PHE A 81 7.463 -10.676 -9.358 1.00 4.04 H new ATOM 0 HB3 PHE A 81 8.615 -10.069 -8.185 1.00 4.04 H new ATOM 0 HD1 PHE A 81 11.013 -9.592 -9.820 1.00 24.45 H new ATOM 0 HD2 PHE A 81 6.913 -8.870 -10.720 1.00 2.12 H new ATOM 0 HE1 PHE A 81 11.673 -7.818 -11.385 1.00 75.40 H new ATOM 0 HE2 PHE A 81 7.569 -7.096 -12.288 1.00 23.22 H new ATOM 0 HZ PHE A 81 9.951 -6.563 -12.620 1.00 71.22 H new ATOM 1259 N ASP A 82 9.998 -13.128 -7.491 1.00 22.51 N ATOM 1260 CA ASP A 82 9.794 -14.065 -6.392 1.00 25.21 C ATOM 1261 C ASP A 82 8.922 -13.446 -5.304 1.00 45.33 C ATOM 1262 O ASP A 82 8.162 -14.143 -4.632 1.00 44.12 O ATOM 1263 CB ASP A 82 11.139 -14.493 -5.803 1.00 24.25 C ATOM 1264 CG ASP A 82 11.087 -15.878 -5.187 1.00 44.21 C ATOM 1265 OD1 ASP A 82 10.688 -16.826 -5.894 1.00 35.11 O ATOM 1266 OD2 ASP A 82 11.446 -16.013 -3.998 1.00 51.22 O ATOM 0 H ASP A 82 10.968 -12.842 -7.628 1.00 22.51 H new ATOM 0 HA ASP A 82 9.282 -14.943 -6.786 1.00 25.21 H new ATOM 0 HB2 ASP A 82 11.897 -14.475 -6.586 1.00 24.25 H new ATOM 0 HB3 ASP A 82 11.446 -13.773 -5.045 1.00 24.25 H new ATOM 1271 N ARG A 83 9.039 -12.132 -5.136 1.00 74.45 N ATOM 1272 CA ARG A 83 8.263 -11.419 -4.129 1.00 33.41 C ATOM 1273 C ARG A 83 6.792 -11.341 -4.530 1.00 25.22 C ATOM 1274 O ARG A 83 6.444 -10.878 -5.616 1.00 34.11 O ATOM 1275 CB ARG A 83 8.823 -10.010 -3.926 1.00 73.31 C ATOM 1276 CG ARG A 83 8.935 -9.604 -2.466 1.00 24.12 C ATOM 1277 CD ARG A 83 10.373 -9.682 -1.975 1.00 54.22 C ATOM 1278 NE ARG A 83 11.235 -8.717 -2.653 1.00 21.43 N ATOM 1279 CZ ARG A 83 12.491 -8.476 -2.294 1.00 10.53 C ATOM 1280 NH1 ARG A 83 13.028 -9.125 -1.270 1.00 1.41 N ATOM 1281 NH2 ARG A 83 13.213 -7.583 -2.960 1.00 35.13 N ATOM 0 H ARG A 83 9.664 -11.541 -5.684 1.00 74.45 H new ATOM 0 HA ARG A 83 8.337 -11.971 -3.192 1.00 33.41 H new ATOM 0 HB2 ARG A 83 9.809 -9.950 -4.388 1.00 73.31 H new ATOM 0 HB3 ARG A 83 8.184 -9.296 -4.445 1.00 73.31 H new ATOM 0 HG2 ARG A 83 8.561 -8.588 -2.340 1.00 24.12 H new ATOM 0 HG3 ARG A 83 8.306 -10.253 -1.857 1.00 24.12 H new ATOM 0 HD2 ARG A 83 10.400 -9.500 -0.901 1.00 54.22 H new ATOM 0 HD3 ARG A 83 10.758 -10.689 -2.138 1.00 54.22 H new ATOM 0 HE ARG A 83 10.852 -8.200 -3.445 1.00 21.43 H new ATOM 0 HH11 ARG A 83 12.476 -9.812 -0.755 1.00 1.41 H new ATOM 0 HH12 ARG A 83 13.993 -8.938 -0.997 1.00 1.41 H new ATOM 0 HH21 ARG A 83 12.803 -7.081 -3.748 1.00 35.13 H new ATOM 0 HH22 ARG A 83 14.177 -7.398 -2.684 1.00 35.13 H new ATOM 1295 N PRO A 84 5.909 -11.805 -3.634 1.00 30.05 N ATOM 1296 CA PRO A 84 4.463 -11.798 -3.871 1.00 75.43 C ATOM 1297 C PRO A 84 3.880 -10.389 -3.862 1.00 70.23 C ATOM 1298 O PRO A 84 3.833 -9.718 -2.832 1.00 12.44 O ATOM 1299 CB PRO A 84 3.907 -12.614 -2.701 1.00 70.12 C ATOM 1300 CG PRO A 84 4.925 -12.471 -1.623 1.00 32.32 C ATOM 1301 CD PRO A 84 6.254 -12.371 -2.319 1.00 21.14 C ATOM 0 HA PRO A 84 4.209 -12.204 -4.850 1.00 75.43 H new ATOM 0 HB2 PRO A 84 2.936 -12.237 -2.381 1.00 70.12 H new ATOM 0 HB3 PRO A 84 3.767 -13.659 -2.978 1.00 70.12 H new ATOM 0 HG2 PRO A 84 4.733 -11.584 -1.020 1.00 32.32 H new ATOM 0 HG3 PRO A 84 4.901 -13.327 -0.948 1.00 32.32 H new ATOM 0 HD2 PRO A 84 6.946 -11.729 -1.774 1.00 21.14 H new ATOM 0 HD3 PRO A 84 6.732 -13.346 -2.414 1.00 21.14 H new ATOM 1309 N PRO A 85 3.425 -9.929 -5.037 1.00 12.30 N ATOM 1310 CA PRO A 85 2.836 -8.595 -5.190 1.00 10.02 C ATOM 1311 C PRO A 85 1.478 -8.479 -4.507 1.00 33.24 C ATOM 1312 O PRO A 85 0.698 -9.431 -4.488 1.00 65.52 O ATOM 1313 CB PRO A 85 2.687 -8.445 -6.706 1.00 14.22 C ATOM 1314 CG PRO A 85 2.592 -9.841 -7.217 1.00 55.22 C ATOM 1315 CD PRO A 85 3.449 -10.675 -6.306 1.00 43.23 C ATOM 0 HA PRO A 85 3.452 -7.822 -4.730 1.00 10.02 H new ATOM 0 HB2 PRO A 85 1.798 -7.869 -6.961 1.00 14.22 H new ATOM 0 HB3 PRO A 85 3.541 -7.922 -7.138 1.00 14.22 H new ATOM 0 HG2 PRO A 85 1.559 -10.190 -7.209 1.00 55.22 H new ATOM 0 HG3 PRO A 85 2.942 -9.904 -8.247 1.00 55.22 H new ATOM 0 HD2 PRO A 85 3.048 -11.682 -6.188 1.00 43.23 H new ATOM 0 HD3 PRO A 85 4.463 -10.779 -6.692 1.00 43.23 H new ATOM 1323 N ALA A 86 1.200 -7.306 -3.946 1.00 64.43 N ATOM 1324 CA ALA A 86 -0.065 -7.066 -3.264 1.00 51.12 C ATOM 1325 C ALA A 86 -1.139 -6.607 -4.245 1.00 2.31 C ATOM 1326 O ALA A 86 -1.207 -5.430 -4.599 1.00 45.33 O ATOM 1327 CB ALA A 86 0.118 -6.036 -2.159 1.00 63.12 C ATOM 0 H ALA A 86 1.835 -6.507 -3.951 1.00 64.43 H new ATOM 0 HA ALA A 86 -0.393 -8.005 -2.819 1.00 51.12 H new ATOM 0 HB1 ALA A 86 -0.835 -5.867 -1.658 1.00 63.12 H new ATOM 0 HB2 ALA A 86 0.847 -6.403 -1.437 1.00 63.12 H new ATOM 0 HB3 ALA A 86 0.473 -5.100 -2.590 1.00 63.12 H new ATOM 1333 N ARG A 87 -1.975 -7.543 -4.680 1.00 74.13 N ATOM 1334 CA ARG A 87 -3.045 -7.234 -5.622 1.00 23.20 C ATOM 1335 C ARG A 87 -4.132 -8.304 -5.580 1.00 63.23 C ATOM 1336 O ARG A 87 -4.864 -8.497 -6.551 1.00 62.51 O ATOM 1337 CB ARG A 87 -2.485 -7.115 -7.041 1.00 32.32 C ATOM 1338 CG ARG A 87 -1.251 -7.969 -7.282 1.00 44.51 C ATOM 1339 CD ARG A 87 -1.503 -9.426 -6.930 1.00 74.23 C ATOM 1340 NE ARG A 87 -0.787 -10.336 -7.820 1.00 72.22 N ATOM 1341 CZ ARG A 87 -0.933 -11.656 -7.793 1.00 65.33 C ATOM 1342 NH1 ARG A 87 -1.764 -12.218 -6.926 1.00 43.51 N ATOM 1343 NH2 ARG A 87 -0.246 -12.418 -8.635 1.00 42.24 N ATOM 0 H ARG A 87 -1.933 -8.522 -4.396 1.00 74.13 H new ATOM 0 HA ARG A 87 -3.487 -6.281 -5.332 1.00 23.20 H new ATOM 0 HB2 ARG A 87 -3.259 -7.401 -7.753 1.00 32.32 H new ATOM 0 HB3 ARG A 87 -2.239 -6.072 -7.239 1.00 32.32 H new ATOM 0 HG2 ARG A 87 -0.953 -7.893 -8.328 1.00 44.51 H new ATOM 0 HG3 ARG A 87 -0.422 -7.588 -6.686 1.00 44.51 H new ATOM 0 HD2 ARG A 87 -1.195 -9.609 -5.901 1.00 74.23 H new ATOM 0 HD3 ARG A 87 -2.572 -9.632 -6.984 1.00 74.23 H new ATOM 0 HE ARG A 87 -0.140 -9.936 -8.499 1.00 72.22 H new ATOM 0 HH11 ARG A 87 -2.294 -11.636 -6.277 1.00 43.51 H new ATOM 0 HH12 ARG A 87 -1.873 -13.232 -6.908 1.00 43.51 H new ATOM 0 HH21 ARG A 87 0.395 -11.990 -9.303 1.00 42.24 H new ATOM 0 HH22 ARG A 87 -0.359 -13.432 -8.614 1.00 42.24 H new ATOM 1357 N ARG A 88 -4.230 -8.997 -4.450 1.00 52.42 N ATOM 1358 CA ARG A 88 -5.226 -10.048 -4.283 1.00 31.12 C ATOM 1359 C ARG A 88 -5.099 -11.098 -5.383 1.00 41.30 C ATOM 1360 O ARG A 88 -4.201 -11.027 -6.223 1.00 31.44 O ATOM 1361 CB ARG A 88 -6.635 -9.452 -4.293 1.00 1.25 C ATOM 1362 CG ARG A 88 -7.000 -8.732 -3.005 1.00 13.41 C ATOM 1363 CD ARG A 88 -7.879 -9.595 -2.114 1.00 21.25 C ATOM 1364 NE ARG A 88 -8.876 -8.805 -1.397 1.00 55.23 N ATOM 1365 CZ ARG A 88 -9.731 -9.320 -0.521 1.00 33.13 C ATOM 1366 NH1 ARG A 88 -9.710 -10.619 -0.253 1.00 44.42 N ATOM 1367 NH2 ARG A 88 -10.610 -8.536 0.091 1.00 42.02 N ATOM 0 H ARG A 88 -3.632 -8.849 -3.637 1.00 52.42 H new ATOM 0 HA ARG A 88 -5.050 -10.530 -3.322 1.00 31.12 H new ATOM 0 HB2 ARG A 88 -6.719 -8.754 -5.126 1.00 1.25 H new ATOM 0 HB3 ARG A 88 -7.357 -10.249 -4.471 1.00 1.25 H new ATOM 0 HG2 ARG A 88 -6.091 -8.461 -2.468 1.00 13.41 H new ATOM 0 HG3 ARG A 88 -7.520 -7.803 -3.241 1.00 13.41 H new ATOM 0 HD2 ARG A 88 -8.382 -10.348 -2.721 1.00 21.25 H new ATOM 0 HD3 ARG A 88 -7.255 -10.128 -1.397 1.00 21.25 H new ATOM 0 HE ARG A 88 -8.918 -7.802 -1.579 1.00 55.23 H new ATOM 0 HH11 ARG A 88 -9.036 -11.225 -0.720 1.00 44.42 H new ATOM 0 HH12 ARG A 88 -10.368 -11.012 0.420 1.00 44.42 H new ATOM 0 HH21 ARG A 88 -10.629 -7.536 -0.111 1.00 42.02 H new ATOM 0 HH22 ARG A 88 -11.266 -8.933 0.764 1.00 42.02 H new ATOM 1381 N LYS A 89 -6.003 -12.071 -5.372 1.00 72.14 N ATOM 1382 CA LYS A 89 -5.994 -13.136 -6.369 1.00 10.43 C ATOM 1383 C LYS A 89 -6.034 -12.560 -7.781 1.00 3.34 C ATOM 1384 O LYS A 89 -5.022 -12.543 -8.484 1.00 15.33 O ATOM 1385 CB LYS A 89 -7.185 -14.073 -6.155 1.00 10.50 C ATOM 1386 CG LYS A 89 -7.368 -15.088 -7.270 1.00 10.32 C ATOM 1387 CD LYS A 89 -7.689 -16.468 -6.720 1.00 50.44 C ATOM 1388 CE LYS A 89 -9.182 -16.642 -6.490 1.00 13.05 C ATOM 1389 NZ LYS A 89 -9.666 -17.967 -6.967 1.00 53.22 N ATOM 0 H LYS A 89 -6.752 -12.145 -4.683 1.00 72.14 H new ATOM 0 HA LYS A 89 -5.069 -13.701 -6.252 1.00 10.43 H new ATOM 0 HB2 LYS A 89 -7.055 -14.602 -5.211 1.00 10.50 H new ATOM 0 HB3 LYS A 89 -8.093 -13.478 -6.064 1.00 10.50 H new ATOM 0 HG2 LYS A 89 -8.171 -14.763 -7.931 1.00 10.32 H new ATOM 0 HG3 LYS A 89 -6.460 -15.137 -7.871 1.00 10.32 H new ATOM 0 HD2 LYS A 89 -7.336 -17.229 -7.415 1.00 50.44 H new ATOM 0 HD3 LYS A 89 -7.155 -16.620 -5.782 1.00 50.44 H new ATOM 0 HE2 LYS A 89 -9.400 -16.537 -5.427 1.00 13.05 H new ATOM 0 HE3 LYS A 89 -9.724 -15.850 -7.007 1.00 13.05 H new ATOM 0 HZ1 LYS A 89 -10.688 -18.047 -6.792 1.00 53.22 H new ATOM 0 HZ2 LYS A 89 -9.481 -18.058 -7.986 1.00 53.22 H new ATOM 0 HZ3 LYS A 89 -9.168 -18.723 -6.456 1.00 53.22 H new ATOM 1403 N LEU A 90 -7.206 -12.088 -8.189 1.00 53.22 N ATOM 1404 CA LEU A 90 -7.377 -11.509 -9.517 1.00 72.14 C ATOM 1405 C LEU A 90 -6.857 -12.455 -10.595 1.00 22.23 C ATOM 1406 O LEU A 90 -5.695 -12.376 -10.997 1.00 31.41 O ATOM 1407 CB LEU A 90 -6.650 -10.166 -9.608 1.00 34.15 C ATOM 1408 CG LEU A 90 -7.533 -8.919 -9.541 1.00 32.42 C ATOM 1409 CD1 LEU A 90 -7.047 -7.979 -8.449 1.00 34.24 C ATOM 1410 CD2 LEU A 90 -7.556 -8.210 -10.887 1.00 14.43 C ATOM 0 H LEU A 90 -8.052 -12.095 -7.620 1.00 53.22 H new ATOM 0 HA LEU A 90 -8.443 -11.350 -9.682 1.00 72.14 H new ATOM 0 HB2 LEU A 90 -5.921 -10.115 -8.799 1.00 34.15 H new ATOM 0 HB3 LEU A 90 -6.091 -10.141 -10.543 1.00 34.15 H new ATOM 0 HG LEU A 90 -8.550 -9.229 -9.299 1.00 32.42 H new ATOM 0 HD11 LEU A 90 -7.687 -7.097 -8.416 1.00 34.24 H new ATOM 0 HD12 LEU A 90 -7.083 -8.490 -7.487 1.00 34.24 H new ATOM 0 HD13 LEU A 90 -6.022 -7.675 -8.660 1.00 34.24 H new ATOM 0 HD21 LEU A 90 -8.189 -7.325 -10.821 1.00 14.43 H new ATOM 0 HD22 LEU A 90 -6.543 -7.912 -11.159 1.00 14.43 H new ATOM 0 HD23 LEU A 90 -7.952 -8.884 -11.647 1.00 14.43 H new ATOM 1422 N LEU A 91 -7.724 -13.348 -11.060 1.00 3.22 N ATOM 1423 CA LEU A 91 -7.353 -14.308 -12.093 1.00 63.41 C ATOM 1424 C LEU A 91 -8.539 -15.191 -12.468 1.00 12.33 C ATOM 1425 O LEU A 91 -8.699 -15.572 -13.627 1.00 15.43 O ATOM 1426 CB LEU A 91 -6.188 -15.177 -11.615 1.00 44.22 C ATOM 1427 CG LEU A 91 -5.096 -15.463 -12.647 1.00 74.24 C ATOM 1428 CD1 LEU A 91 -3.718 -15.262 -12.037 1.00 32.22 C ATOM 1429 CD2 LEU A 91 -5.238 -16.876 -13.195 1.00 52.24 C ATOM 0 H LEU A 91 -8.689 -13.427 -10.738 1.00 3.22 H new ATOM 0 HA LEU A 91 -7.044 -13.751 -12.977 1.00 63.41 H new ATOM 0 HB2 LEU A 91 -5.728 -14.692 -10.754 1.00 44.22 H new ATOM 0 HB3 LEU A 91 -6.590 -16.129 -11.267 1.00 44.22 H new ATOM 0 HG LEU A 91 -5.210 -14.761 -13.473 1.00 74.24 H new ATOM 0 HD11 LEU A 91 -2.954 -15.470 -12.786 1.00 32.22 H new ATOM 0 HD12 LEU A 91 -3.619 -14.232 -11.694 1.00 32.22 H new ATOM 0 HD13 LEU A 91 -3.592 -15.939 -11.192 1.00 32.22 H new ATOM 0 HD21 LEU A 91 -4.453 -17.063 -13.928 1.00 52.24 H new ATOM 0 HD22 LEU A 91 -5.150 -17.593 -12.379 1.00 52.24 H new ATOM 0 HD23 LEU A 91 -6.212 -16.985 -13.671 1.00 52.24 H new ATOM 1441 N GLU A 92 -9.369 -15.509 -11.479 1.00 24.41 N ATOM 1442 CA GLU A 92 -10.541 -16.346 -11.706 1.00 54.32 C ATOM 1443 C GLU A 92 -11.528 -15.656 -12.645 1.00 25.32 C ATOM 1444 O GLU A 92 -12.309 -16.313 -13.333 1.00 51.33 O ATOM 1445 CB GLU A 92 -11.228 -16.672 -10.378 1.00 64.11 C ATOM 1446 CG GLU A 92 -12.050 -17.949 -10.416 1.00 33.02 C ATOM 1447 CD GLU A 92 -13.186 -17.941 -9.411 1.00 23.32 C ATOM 1448 OE1 GLU A 92 -13.737 -16.853 -9.146 1.00 11.21 O ATOM 1449 OE2 GLU A 92 -13.523 -19.025 -8.889 1.00 61.03 O ATOM 0 H GLU A 92 -9.251 -15.200 -10.514 1.00 24.41 H new ATOM 0 HA GLU A 92 -10.209 -17.273 -12.172 1.00 54.32 H new ATOM 0 HB2 GLU A 92 -10.471 -16.760 -9.599 1.00 64.11 H new ATOM 0 HB3 GLU A 92 -11.876 -15.841 -10.100 1.00 64.11 H new ATOM 0 HG2 GLU A 92 -12.457 -18.085 -11.418 1.00 33.02 H new ATOM 0 HG3 GLU A 92 -11.400 -18.801 -10.218 1.00 33.02 H new ATOM 1456 N VAL A 93 -11.485 -14.328 -12.666 1.00 52.12 N ATOM 1457 CA VAL A 93 -12.374 -13.548 -13.520 1.00 22.42 C ATOM 1458 C VAL A 93 -11.661 -13.099 -14.790 1.00 62.13 C ATOM 1459 O VAL A 93 -10.444 -12.907 -14.798 1.00 71.50 O ATOM 1460 CB VAL A 93 -12.916 -12.309 -12.783 1.00 23.22 C ATOM 1461 CG1 VAL A 93 -14.002 -11.632 -13.604 1.00 52.01 C ATOM 1462 CG2 VAL A 93 -13.438 -12.694 -11.407 1.00 22.21 C ATOM 0 H VAL A 93 -10.845 -13.769 -12.102 1.00 52.12 H new ATOM 0 HA VAL A 93 -13.208 -14.197 -13.785 1.00 22.42 H new ATOM 0 HB VAL A 93 -12.099 -11.600 -12.651 1.00 23.22 H new ATOM 0 HG11 VAL A 93 -14.373 -10.759 -13.067 1.00 52.01 H new ATOM 0 HG12 VAL A 93 -13.591 -11.320 -14.564 1.00 52.01 H new ATOM 0 HG13 VAL A 93 -14.822 -12.331 -13.770 1.00 52.01 H new ATOM 0 HG21 VAL A 93 -13.817 -11.807 -10.900 1.00 22.21 H new ATOM 0 HG22 VAL A 93 -14.242 -13.422 -11.514 1.00 22.21 H new ATOM 0 HG23 VAL A 93 -12.629 -13.129 -10.820 1.00 22.21 H new ATOM 1472 N LEU A 94 -12.426 -12.932 -15.864 1.00 24.15 N ATOM 1473 CA LEU A 94 -11.868 -12.504 -17.142 1.00 25.13 C ATOM 1474 C LEU A 94 -12.961 -12.376 -18.198 1.00 3.14 C ATOM 1475 O LEU A 94 -13.849 -13.223 -18.293 1.00 21.32 O ATOM 1476 CB LEU A 94 -10.802 -13.495 -17.612 1.00 65.15 C ATOM 1477 CG LEU A 94 -10.385 -13.386 -19.080 1.00 0.03 C ATOM 1478 CD1 LEU A 94 -8.871 -13.434 -19.210 1.00 25.24 C ATOM 1479 CD2 LEU A 94 -11.028 -14.494 -19.900 1.00 71.35 C ATOM 0 H LEU A 94 -13.434 -13.087 -15.875 1.00 24.15 H new ATOM 0 HA LEU A 94 -11.409 -11.525 -17.001 1.00 25.13 H new ATOM 0 HB2 LEU A 94 -9.915 -13.365 -16.992 1.00 65.15 H new ATOM 0 HB3 LEU A 94 -11.170 -14.505 -17.434 1.00 65.15 H new ATOM 0 HG LEU A 94 -10.732 -12.427 -19.466 1.00 0.03 H new ATOM 0 HD11 LEU A 94 -8.593 -13.355 -20.261 1.00 25.24 H new ATOM 0 HD12 LEU A 94 -8.432 -12.605 -18.655 1.00 25.24 H new ATOM 0 HD13 LEU A 94 -8.501 -14.377 -18.807 1.00 25.24 H new ATOM 0 HD21 LEU A 94 -10.720 -14.401 -20.942 1.00 71.35 H new ATOM 0 HD22 LEU A 94 -10.712 -15.463 -19.513 1.00 71.35 H new ATOM 0 HD23 LEU A 94 -12.113 -14.413 -19.833 1.00 71.35 H new ATOM 1491 N PHE A 95 -12.888 -11.312 -18.991 1.00 34.04 N ATOM 1492 CA PHE A 95 -13.871 -11.073 -20.041 1.00 71.32 C ATOM 1493 C PHE A 95 -13.185 -10.837 -21.384 1.00 15.53 C ATOM 1494 O PHE A 95 -12.418 -9.888 -21.542 1.00 32.11 O ATOM 1495 CB PHE A 95 -14.748 -9.871 -19.685 1.00 34.52 C ATOM 1496 CG PHE A 95 -13.969 -8.608 -19.453 1.00 73.41 C ATOM 1497 CD1 PHE A 95 -13.324 -8.388 -18.247 1.00 61.10 C ATOM 1498 CD2 PHE A 95 -13.883 -7.641 -20.441 1.00 61.03 C ATOM 1499 CE1 PHE A 95 -12.606 -7.227 -18.031 1.00 22.13 C ATOM 1500 CE2 PHE A 95 -13.166 -6.478 -20.231 1.00 20.31 C ATOM 1501 CZ PHE A 95 -12.528 -6.270 -19.024 1.00 23.53 C ATOM 0 H PHE A 95 -12.159 -10.602 -18.926 1.00 34.04 H new ATOM 0 HA PHE A 95 -14.500 -11.960 -20.124 1.00 71.32 H new ATOM 0 HB2 PHE A 95 -15.465 -9.704 -20.489 1.00 34.52 H new ATOM 0 HB3 PHE A 95 -15.323 -10.104 -18.789 1.00 34.52 H new ATOM 0 HD1 PHE A 95 -13.383 -9.132 -17.467 1.00 61.10 H new ATOM 0 HD2 PHE A 95 -14.382 -7.797 -21.386 1.00 61.03 H new ATOM 0 HE1 PHE A 95 -12.106 -7.068 -17.087 1.00 22.13 H new ATOM 0 HE2 PHE A 95 -13.105 -5.733 -21.010 1.00 20.31 H new ATOM 0 HZ PHE A 95 -11.969 -5.361 -18.857 1.00 23.53 H new ATOM 1511 N ASN A 96 -13.468 -11.707 -22.347 1.00 54.15 N ATOM 1512 CA ASN A 96 -12.879 -11.594 -23.677 1.00 4.05 C ATOM 1513 C ASN A 96 -13.667 -12.415 -24.693 1.00 4.31 C ATOM 1514 O ASN A 96 -13.125 -12.851 -25.708 1.00 33.23 O ATOM 1515 CB ASN A 96 -11.420 -12.057 -23.651 1.00 54.32 C ATOM 1516 CG ASN A 96 -10.469 -10.947 -23.247 1.00 63.31 C ATOM 1517 OD1 ASN A 96 -10.206 -10.027 -24.021 1.00 53.23 O ATOM 1518 ND2 ASN A 96 -9.946 -11.030 -22.029 1.00 35.50 N ATOM 0 H ASN A 96 -14.101 -12.498 -22.232 1.00 54.15 H new ATOM 0 HA ASN A 96 -12.916 -10.547 -23.977 1.00 4.05 H new ATOM 0 HB2 ASN A 96 -11.318 -12.890 -22.956 1.00 54.32 H new ATOM 0 HB3 ASN A 96 -11.142 -12.429 -24.637 1.00 54.32 H new ATOM 0 HD21 ASN A 96 -9.298 -10.313 -21.702 1.00 35.50 H new ATOM 0 HD22 ASN A 96 -10.192 -11.811 -21.420 1.00 35.50 H new ATOM 1525 N GLY A 97 -14.950 -12.620 -24.412 1.00 71.23 N ATOM 1526 CA GLY A 97 -15.792 -13.387 -25.311 1.00 73.33 C ATOM 1527 C GLY A 97 -15.507 -14.875 -25.245 1.00 40.44 C ATOM 1528 O GLY A 97 -14.928 -15.459 -26.162 1.00 13.51 O ATOM 0 H GLY A 97 -15.421 -12.269 -23.578 1.00 71.23 H new ATOM 0 HA2 GLY A 97 -16.839 -13.209 -25.064 1.00 73.33 H new ATOM 0 HA3 GLY A 97 -15.642 -13.036 -26.332 1.00 73.33 H new ATOM 1532 N PRO A 98 -15.917 -15.511 -24.138 1.00 71.34 N ATOM 1533 CA PRO A 98 -15.712 -16.948 -23.929 1.00 41.35 C ATOM 1534 C PRO A 98 -16.575 -17.797 -24.856 1.00 63.41 C ATOM 1535 O PRO A 98 -16.315 -18.986 -25.046 1.00 32.52 O ATOM 1536 CB PRO A 98 -16.127 -17.157 -22.471 1.00 51.21 C ATOM 1537 CG PRO A 98 -17.081 -16.049 -22.186 1.00 54.23 C ATOM 1538 CD PRO A 98 -16.613 -14.878 -23.006 1.00 32.22 C ATOM 0 HA PRO A 98 -14.686 -17.249 -24.141 1.00 41.35 H new ATOM 0 HB2 PRO A 98 -16.597 -18.130 -22.329 1.00 51.21 H new ATOM 0 HB3 PRO A 98 -15.265 -17.119 -21.805 1.00 51.21 H new ATOM 0 HG2 PRO A 98 -18.099 -16.332 -22.455 1.00 54.23 H new ATOM 0 HG3 PRO A 98 -17.088 -15.804 -21.124 1.00 54.23 H new ATOM 0 HD2 PRO A 98 -17.448 -14.263 -23.341 1.00 32.22 H new ATOM 0 HD3 PRO A 98 -15.947 -14.229 -22.437 1.00 32.22 H new ATOM 1546 N LEU A 99 -17.601 -17.181 -25.431 1.00 51.14 N ATOM 1547 CA LEU A 99 -18.503 -17.881 -26.340 1.00 22.03 C ATOM 1548 C LEU A 99 -18.407 -17.308 -27.750 1.00 75.43 C ATOM 1549 O LEU A 99 -18.735 -16.145 -27.981 1.00 3.10 O ATOM 1550 CB LEU A 99 -19.943 -17.785 -25.834 1.00 73.13 C ATOM 1551 CG LEU A 99 -20.899 -18.876 -26.320 1.00 0.43 C ATOM 1552 CD1 LEU A 99 -20.425 -20.245 -25.857 1.00 54.24 C ATOM 1553 CD2 LEU A 99 -22.313 -18.604 -25.827 1.00 2.22 C ATOM 0 H LEU A 99 -17.830 -16.198 -25.284 1.00 51.14 H new ATOM 0 HA LEU A 99 -18.206 -18.929 -26.373 1.00 22.03 H new ATOM 0 HB2 LEU A 99 -19.926 -17.804 -24.744 1.00 73.13 H new ATOM 0 HB3 LEU A 99 -20.347 -16.817 -26.130 1.00 73.13 H new ATOM 0 HG LEU A 99 -20.908 -18.866 -27.410 1.00 0.43 H new ATOM 0 HD11 LEU A 99 -21.117 -21.009 -26.212 1.00 54.24 H new ATOM 0 HD12 LEU A 99 -19.431 -20.441 -26.259 1.00 54.24 H new ATOM 0 HD13 LEU A 99 -20.387 -20.268 -24.768 1.00 54.24 H new ATOM 0 HD21 LEU A 99 -22.980 -19.390 -26.182 1.00 2.22 H new ATOM 0 HD22 LEU A 99 -22.321 -18.586 -24.737 1.00 2.22 H new ATOM 0 HD23 LEU A 99 -22.652 -17.641 -26.208 1.00 2.22 H new ATOM 1565 N GLU A 100 -17.959 -18.135 -28.690 1.00 71.00 N ATOM 1566 CA GLU A 100 -17.823 -17.710 -30.078 1.00 64.22 C ATOM 1567 C GLU A 100 -19.090 -18.020 -30.869 1.00 72.43 C ATOM 1568 O GLU A 100 -19.124 -17.875 -32.092 1.00 23.43 O ATOM 1569 CB GLU A 100 -16.621 -18.398 -30.729 1.00 42.25 C ATOM 1570 CG GLU A 100 -16.852 -19.869 -31.032 1.00 44.22 C ATOM 1571 CD GLU A 100 -15.638 -20.725 -30.726 1.00 10.22 C ATOM 1572 OE1 GLU A 100 -14.708 -20.756 -31.558 1.00 62.01 O ATOM 1573 OE2 GLU A 100 -15.619 -21.363 -29.653 1.00 31.53 O ATOM 0 H GLU A 100 -17.685 -19.102 -28.516 1.00 71.00 H new ATOM 0 HA GLU A 100 -17.665 -16.632 -30.087 1.00 64.22 H new ATOM 0 HB2 GLU A 100 -16.374 -17.879 -31.655 1.00 42.25 H new ATOM 0 HB3 GLU A 100 -15.758 -18.303 -30.070 1.00 42.25 H new ATOM 0 HG2 GLU A 100 -17.701 -20.227 -30.449 1.00 44.22 H new ATOM 0 HG3 GLU A 100 -17.116 -19.982 -32.083 1.00 44.22 H new ATOM 1580 N HIS A 101 -20.132 -18.449 -30.163 1.00 4.11 N ATOM 1581 CA HIS A 101 -21.402 -18.780 -30.798 1.00 71.02 C ATOM 1582 C HIS A 101 -21.218 -19.876 -31.843 1.00 64.13 C ATOM 1583 O HIS A 101 -20.580 -20.897 -31.580 1.00 54.43 O ATOM 1584 CB HIS A 101 -22.011 -17.537 -31.448 1.00 1.02 C ATOM 1585 CG HIS A 101 -23.169 -17.838 -32.348 1.00 35.11 C ATOM 1586 ND1 HIS A 101 -23.275 -17.342 -33.630 1.00 52.11 N ATOM 1587 CD2 HIS A 101 -24.276 -18.591 -32.145 1.00 63.21 C ATOM 1588 CE1 HIS A 101 -24.397 -17.775 -34.176 1.00 71.45 C ATOM 1589 NE2 HIS A 101 -25.023 -18.536 -33.296 1.00 44.11 N ATOM 0 H HIS A 101 -20.121 -18.575 -29.151 1.00 4.11 H new ATOM 0 HA HIS A 101 -22.080 -19.147 -30.027 1.00 71.02 H new ATOM 0 HB2 HIS A 101 -22.338 -16.851 -30.666 1.00 1.02 H new ATOM 0 HB3 HIS A 101 -21.240 -17.022 -32.021 1.00 1.02 H new ATOM 0 HD2 HIS A 101 -24.525 -19.134 -31.245 1.00 63.21 H new ATOM 0 HE1 HIS A 101 -24.744 -17.546 -35.173 1.00 71.45 H new ATOM 0 HE2 HIS A 101 -25.916 -19.006 -33.447 1.00 44.11 H new TER 1597 HIS A 101