USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 675 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 2 SER OG : rot 96:sc= -2.75! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.995 X(o=-1,f=-0.65) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -126:sc= -0.907 (180deg=-4.53!) USER MOD Single : A 20 MET CE :methyl -171:sc= 0 (180deg=-0.0385) USER MOD Single : A 22 SER OG : rot 100:sc= 0.777 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0147) USER MOD Single : A 28 CYS SG : rot 52:sc= 0.488 USER MOD Single : A 30 TYR OH : rot -11:sc= 0.825 USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= -0.407 (180deg=-2.09!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= 2.02 (180deg=-0.276) USER MOD Single : A 35 GLN : amide:sc= -3.16 K(o=-3.2,f=-5.1) USER MOD Single : A 37 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 41 CYS SG : rot 76:sc= 0.862 USER MOD Single : A 42 ASN : amide:sc= 0.0519 K(o=0.052,f=-0.5) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.0746 X(o=-0.075,f=-0.071) USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= -0.15 (180deg=-0.56) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -2.97! K(o=-3!,f=-0.3) USER MOD Single : A 66 MET CE :methyl 174:sc= -5.11! (180deg=-5.65!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 160:sc= -0.125 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 109:sc= 0.344 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.0892 X(o=-0.089,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 4.079 -1.085 -1.357 1.00 63.32 N ATOM 19 CA SER A 2 5.148 -1.981 -1.785 1.00 53.20 C ATOM 20 C SER A 2 6.349 -1.189 -2.294 1.00 74.42 C ATOM 21 O SER A 2 7.497 -1.570 -2.070 1.00 21.11 O ATOM 22 CB SER A 2 4.644 -2.925 -2.879 1.00 13.54 C ATOM 23 OG SER A 2 5.048 -4.259 -2.627 1.00 20.13 O ATOM 0 HA SER A 2 5.462 -2.570 -0.923 1.00 53.20 H new ATOM 0 HB2 SER A 2 3.557 -2.875 -2.934 1.00 13.54 H new ATOM 0 HB3 SER A 2 5.027 -2.602 -3.847 1.00 13.54 H new ATOM 0 HG SER A 2 4.326 -4.738 -2.169 1.00 20.13 H new ATOM 29 N ALA A 3 6.073 -0.086 -2.981 1.00 45.53 N ATOM 30 CA ALA A 3 7.130 0.761 -3.521 1.00 52.51 C ATOM 31 C ALA A 3 8.006 1.323 -2.407 1.00 2.41 C ATOM 32 O ALA A 3 9.139 1.742 -2.647 1.00 12.35 O ATOM 33 CB ALA A 3 6.531 1.892 -4.345 1.00 32.30 C ATOM 0 H ALA A 3 5.127 0.242 -3.177 1.00 45.53 H new ATOM 0 HA ALA A 3 7.758 0.148 -4.167 1.00 52.51 H new ATOM 0 HB1 ALA A 3 7.331 2.516 -4.742 1.00 32.30 H new ATOM 0 HB2 ALA A 3 5.953 1.475 -5.170 1.00 32.30 H new ATOM 0 HB3 ALA A 3 5.879 2.496 -3.714 1.00 32.30 H new ATOM 39 N ASP A 4 7.475 1.330 -1.189 1.00 61.03 N ATOM 40 CA ASP A 4 8.209 1.841 -0.038 1.00 25.55 C ATOM 41 C ASP A 4 8.936 0.712 0.687 1.00 21.14 C ATOM 42 O ASP A 4 9.945 0.938 1.356 1.00 40.33 O ATOM 43 CB ASP A 4 7.259 2.553 0.926 1.00 53.14 C ATOM 44 CG ASP A 4 7.794 3.897 1.379 1.00 10.01 C ATOM 45 OD1 ASP A 4 9.019 4.005 1.599 1.00 33.44 O ATOM 46 OD2 ASP A 4 6.988 4.841 1.513 1.00 43.51 O ATOM 0 H ASP A 4 6.539 0.987 -0.974 1.00 61.03 H new ATOM 0 HA ASP A 4 8.950 2.555 -0.399 1.00 25.55 H new ATOM 0 HB2 ASP A 4 6.293 2.694 0.441 1.00 53.14 H new ATOM 0 HB3 ASP A 4 7.089 1.921 1.797 1.00 53.14 H new ATOM 51 N ASP A 5 8.416 -0.503 0.551 1.00 0.14 N ATOM 52 CA ASP A 5 9.015 -1.667 1.193 1.00 20.24 C ATOM 53 C ASP A 5 10.162 -2.221 0.353 1.00 34.23 C ATOM 54 O ASP A 5 10.840 -3.166 0.756 1.00 4.14 O ATOM 55 CB ASP A 5 7.960 -2.752 1.417 1.00 1.23 C ATOM 56 CG ASP A 5 7.118 -2.495 2.652 1.00 44.42 C ATOM 57 OD1 ASP A 5 6.149 -1.713 2.556 1.00 21.42 O ATOM 58 OD2 ASP A 5 7.429 -3.074 3.714 1.00 64.03 O ATOM 0 H ASP A 5 7.581 -0.707 0.002 1.00 0.14 H new ATOM 0 HA ASP A 5 9.414 -1.354 2.158 1.00 20.24 H new ATOM 0 HB2 ASP A 5 7.311 -2.809 0.543 1.00 1.23 H new ATOM 0 HB3 ASP A 5 8.453 -3.720 1.512 1.00 1.23 H new ATOM 63 N PHE A 6 10.371 -1.628 -0.817 1.00 41.22 N ATOM 64 CA PHE A 6 11.434 -2.063 -1.716 1.00 22.15 C ATOM 65 C PHE A 6 12.773 -2.121 -0.986 1.00 20.21 C ATOM 66 O PHE A 6 13.643 -2.924 -1.325 1.00 51.54 O ATOM 67 CB PHE A 6 11.535 -1.119 -2.916 1.00 20.24 C ATOM 68 CG PHE A 6 12.240 0.171 -2.606 1.00 75.32 C ATOM 69 CD1 PHE A 6 11.752 1.025 -1.630 1.00 63.30 C ATOM 70 CD2 PHE A 6 13.389 0.529 -3.292 1.00 52.40 C ATOM 71 CE1 PHE A 6 12.398 2.212 -1.343 1.00 4.35 C ATOM 72 CE2 PHE A 6 14.039 1.715 -3.009 1.00 4.44 C ATOM 73 CZ PHE A 6 13.543 2.559 -2.034 1.00 31.54 C ATOM 0 H PHE A 6 9.818 -0.845 -1.165 1.00 41.22 H new ATOM 0 HA PHE A 6 11.189 -3.064 -2.070 1.00 22.15 H new ATOM 0 HB2 PHE A 6 12.062 -1.627 -3.724 1.00 20.24 H new ATOM 0 HB3 PHE A 6 10.532 -0.897 -3.279 1.00 20.24 H new ATOM 0 HD1 PHE A 6 10.857 0.760 -1.088 1.00 63.30 H new ATOM 0 HD2 PHE A 6 13.781 -0.126 -4.056 1.00 52.40 H new ATOM 0 HE1 PHE A 6 12.008 2.868 -0.579 1.00 4.35 H new ATOM 0 HE2 PHE A 6 14.935 1.982 -3.550 1.00 4.44 H new ATOM 0 HZ PHE A 6 14.049 3.487 -1.813 1.00 31.54 H new ATOM 83 N ASP A 7 12.931 -1.265 0.017 1.00 13.14 N ATOM 84 CA ASP A 7 14.163 -1.218 0.796 1.00 32.01 C ATOM 85 C ASP A 7 14.495 -2.592 1.370 1.00 2.45 C ATOM 86 O ASP A 7 15.583 -3.122 1.146 1.00 34.33 O ATOM 87 CB ASP A 7 14.038 -0.195 1.927 1.00 61.44 C ATOM 88 CG ASP A 7 14.590 1.163 1.542 1.00 52.33 C ATOM 89 OD1 ASP A 7 15.591 1.207 0.797 1.00 53.34 O ATOM 90 OD2 ASP A 7 14.021 2.183 1.986 1.00 21.43 O ATOM 0 H ASP A 7 12.221 -0.594 0.310 1.00 13.14 H new ATOM 0 HA ASP A 7 14.973 -0.916 0.132 1.00 32.01 H new ATOM 0 HB2 ASP A 7 12.989 -0.092 2.206 1.00 61.44 H new ATOM 0 HB3 ASP A 7 14.567 -0.563 2.806 1.00 61.44 H new ATOM 95 N ALA A 8 13.551 -3.161 2.113 1.00 64.11 N ATOM 96 CA ALA A 8 13.744 -4.473 2.719 1.00 53.14 C ATOM 97 C ALA A 8 13.940 -5.546 1.653 1.00 20.01 C ATOM 98 O ALA A 8 14.419 -6.642 1.943 1.00 13.14 O ATOM 99 CB ALA A 8 12.561 -4.821 3.610 1.00 73.33 C ATOM 0 H ALA A 8 12.646 -2.734 2.310 1.00 64.11 H new ATOM 0 HA ALA A 8 14.646 -4.436 3.330 1.00 53.14 H new ATOM 0 HB1 ALA A 8 12.718 -5.803 4.056 1.00 73.33 H new ATOM 0 HB2 ALA A 8 12.468 -4.075 4.399 1.00 73.33 H new ATOM 0 HB3 ALA A 8 11.648 -4.835 3.014 1.00 73.33 H new ATOM 105 N ALA A 9 13.567 -5.223 0.419 1.00 35.52 N ATOM 106 CA ALA A 9 13.703 -6.160 -0.690 1.00 10.24 C ATOM 107 C ALA A 9 15.127 -6.161 -1.235 1.00 50.11 C ATOM 108 O ALA A 9 15.746 -7.215 -1.381 1.00 31.12 O ATOM 109 CB ALA A 9 12.713 -5.818 -1.794 1.00 21.45 C ATOM 0 H ALA A 9 13.168 -4.320 0.162 1.00 35.52 H new ATOM 0 HA ALA A 9 13.483 -7.161 -0.318 1.00 10.24 H new ATOM 0 HB1 ALA A 9 12.826 -6.525 -2.616 1.00 21.45 H new ATOM 0 HB2 ALA A 9 11.697 -5.875 -1.402 1.00 21.45 H new ATOM 0 HB3 ALA A 9 12.906 -4.808 -2.156 1.00 21.45 H new ATOM 115 N VAL A 10 15.641 -4.973 -1.536 1.00 45.31 N ATOM 116 CA VAL A 10 16.993 -4.837 -2.065 1.00 42.25 C ATOM 117 C VAL A 10 18.028 -5.345 -1.067 1.00 52.55 C ATOM 118 O VAL A 10 19.081 -5.854 -1.452 1.00 75.03 O ATOM 119 CB VAL A 10 17.313 -3.372 -2.419 1.00 73.23 C ATOM 120 CG1 VAL A 10 18.635 -3.279 -3.165 1.00 61.21 C ATOM 121 CG2 VAL A 10 16.185 -2.764 -3.239 1.00 72.42 C ATOM 0 H VAL A 10 15.142 -4.091 -1.423 1.00 45.31 H new ATOM 0 HA VAL A 10 17.040 -5.441 -2.971 1.00 42.25 H new ATOM 0 HB VAL A 10 17.405 -2.805 -1.493 1.00 73.23 H new ATOM 0 HG11 VAL A 10 18.844 -2.237 -3.406 1.00 61.21 H new ATOM 0 HG12 VAL A 10 19.435 -3.674 -2.539 1.00 61.21 H new ATOM 0 HG13 VAL A 10 18.575 -3.860 -4.085 1.00 61.21 H new ATOM 0 HG21 VAL A 10 16.428 -1.729 -3.480 1.00 72.42 H new ATOM 0 HG22 VAL A 10 16.059 -3.332 -4.161 1.00 72.42 H new ATOM 0 HG23 VAL A 10 15.260 -2.795 -2.664 1.00 72.42 H new ATOM 131 N LYS A 11 17.721 -5.203 0.218 1.00 45.34 N ATOM 132 CA LYS A 11 18.623 -5.648 1.273 1.00 21.23 C ATOM 133 C LYS A 11 18.621 -7.169 1.384 1.00 22.54 C ATOM 134 O LYS A 11 19.616 -7.773 1.787 1.00 70.34 O ATOM 135 CB LYS A 11 18.219 -5.028 2.613 1.00 43.23 C ATOM 136 CG LYS A 11 18.726 -3.609 2.803 1.00 3.14 C ATOM 137 CD LYS A 11 20.166 -3.592 3.289 1.00 11.35 C ATOM 138 CE LYS A 11 20.921 -2.385 2.754 1.00 52.15 C ATOM 139 NZ LYS A 11 20.915 -1.253 3.721 1.00 5.11 N ATOM 0 H LYS A 11 16.854 -4.783 0.554 1.00 45.34 H new ATOM 0 HA LYS A 11 19.631 -5.321 1.017 1.00 21.23 H new ATOM 0 HB2 LYS A 11 17.132 -5.030 2.692 1.00 43.23 H new ATOM 0 HB3 LYS A 11 18.599 -5.652 3.422 1.00 43.23 H new ATOM 0 HG2 LYS A 11 18.653 -3.066 1.861 1.00 3.14 H new ATOM 0 HG3 LYS A 11 18.092 -3.088 3.521 1.00 3.14 H new ATOM 0 HD2 LYS A 11 20.183 -3.579 4.379 1.00 11.35 H new ATOM 0 HD3 LYS A 11 20.669 -4.506 2.973 1.00 11.35 H new ATOM 0 HE2 LYS A 11 21.950 -2.669 2.534 1.00 52.15 H new ATOM 0 HE3 LYS A 11 20.471 -2.063 1.815 1.00 52.15 H new ATOM 0 HZ1 LYS A 11 21.440 -0.450 3.319 1.00 5.11 H new ATOM 0 HZ2 LYS A 11 19.934 -0.965 3.912 1.00 5.11 H new ATOM 0 HZ3 LYS A 11 21.367 -1.552 4.609 1.00 5.11 H new ATOM 153 N TYR A 12 17.499 -7.783 1.024 1.00 3.25 N ATOM 154 CA TYR A 12 17.368 -9.234 1.085 1.00 43.32 C ATOM 155 C TYR A 12 18.015 -9.890 -0.131 1.00 73.23 C ATOM 156 O TYR A 12 18.441 -11.044 -0.076 1.00 1.34 O ATOM 157 CB TYR A 12 15.893 -9.631 1.169 1.00 44.53 C ATOM 158 CG TYR A 12 15.661 -10.953 1.863 1.00 31.33 C ATOM 159 CD1 TYR A 12 15.983 -12.153 1.241 1.00 72.15 C ATOM 160 CD2 TYR A 12 15.118 -11.004 3.141 1.00 5.43 C ATOM 161 CE1 TYR A 12 15.771 -13.364 1.871 1.00 65.22 C ATOM 162 CE2 TYR A 12 14.905 -12.210 3.780 1.00 41.13 C ATOM 163 CZ TYR A 12 15.233 -13.387 3.140 1.00 31.34 C ATOM 164 OH TYR A 12 15.021 -14.591 3.772 1.00 34.14 O ATOM 0 H TYR A 12 16.667 -7.298 0.687 1.00 3.25 H new ATOM 0 HA TYR A 12 17.882 -9.583 1.980 1.00 43.32 H new ATOM 0 HB2 TYR A 12 15.345 -8.851 1.698 1.00 44.53 H new ATOM 0 HB3 TYR A 12 15.481 -9.682 0.161 1.00 44.53 H new ATOM 0 HD1 TYR A 12 16.406 -12.139 0.248 1.00 72.15 H new ATOM 0 HD2 TYR A 12 14.858 -10.084 3.644 1.00 5.43 H new ATOM 0 HE1 TYR A 12 16.025 -14.288 1.372 1.00 65.22 H new ATOM 0 HE2 TYR A 12 14.484 -12.231 4.774 1.00 41.13 H new ATOM 0 HH TYR A 12 14.638 -14.431 4.660 1.00 34.14 H new ATOM 174 N VAL A 13 18.084 -9.146 -1.230 1.00 44.33 N ATOM 175 CA VAL A 13 18.680 -9.653 -2.461 1.00 0.23 C ATOM 176 C VAL A 13 20.155 -9.277 -2.553 1.00 33.12 C ATOM 177 O VAL A 13 20.955 -10.003 -3.143 1.00 1.15 O ATOM 178 CB VAL A 13 17.946 -9.114 -3.703 1.00 71.51 C ATOM 179 CG1 VAL A 13 18.719 -9.452 -4.969 1.00 24.04 C ATOM 180 CG2 VAL A 13 16.532 -9.671 -3.768 1.00 54.15 C ATOM 0 H VAL A 13 17.735 -8.190 -1.293 1.00 44.33 H new ATOM 0 HA VAL A 13 18.586 -10.739 -2.435 1.00 0.23 H new ATOM 0 HB VAL A 13 17.882 -8.029 -3.624 1.00 71.51 H new ATOM 0 HG11 VAL A 13 18.185 -9.063 -5.836 1.00 24.04 H new ATOM 0 HG12 VAL A 13 19.710 -9.001 -4.921 1.00 24.04 H new ATOM 0 HG13 VAL A 13 18.816 -10.534 -5.058 1.00 24.04 H new ATOM 0 HG21 VAL A 13 16.027 -9.280 -4.651 1.00 54.15 H new ATOM 0 HG22 VAL A 13 16.572 -10.759 -3.824 1.00 54.15 H new ATOM 0 HG23 VAL A 13 15.982 -9.374 -2.875 1.00 54.15 H new ATOM 190 N SER A 14 20.507 -8.138 -1.965 1.00 64.22 N ATOM 191 CA SER A 14 21.886 -7.664 -1.984 1.00 1.45 C ATOM 192 C SER A 14 22.729 -8.403 -0.949 1.00 60.31 C ATOM 193 O SER A 14 23.902 -8.692 -1.180 1.00 61.34 O ATOM 194 CB SER A 14 21.933 -6.158 -1.714 1.00 62.35 C ATOM 195 OG SER A 14 23.258 -5.665 -1.808 1.00 42.33 O ATOM 0 H SER A 14 19.857 -7.527 -1.470 1.00 64.22 H new ATOM 0 HA SER A 14 22.299 -7.863 -2.973 1.00 1.45 H new ATOM 0 HB2 SER A 14 21.296 -5.637 -2.429 1.00 62.35 H new ATOM 0 HB3 SER A 14 21.534 -5.951 -0.721 1.00 62.35 H new ATOM 0 HG SER A 14 23.261 -4.701 -1.633 1.00 42.33 H new ATOM 201 N ASN A 15 22.121 -8.706 0.193 1.00 31.23 N ATOM 202 CA ASN A 15 22.815 -9.412 1.265 1.00 54.33 C ATOM 203 C ASN A 15 22.695 -10.922 1.088 1.00 64.33 C ATOM 204 O ASN A 15 23.677 -11.654 1.220 1.00 21.13 O ATOM 205 CB ASN A 15 22.248 -9.000 2.625 1.00 31.10 C ATOM 206 CG ASN A 15 22.448 -7.524 2.912 1.00 32.51 C ATOM 207 OD1 ASN A 15 23.447 -6.932 2.506 1.00 4.42 O ATOM 208 ND2 ASN A 15 21.495 -6.924 3.616 1.00 73.44 N ATOM 0 H ASN A 15 21.150 -8.474 0.400 1.00 31.23 H new ATOM 0 HA ASN A 15 23.870 -9.142 1.221 1.00 54.33 H new ATOM 0 HB2 ASN A 15 21.184 -9.233 2.657 1.00 31.10 H new ATOM 0 HB3 ASN A 15 22.727 -9.588 3.408 1.00 31.10 H new ATOM 0 HD21 ASN A 15 21.575 -5.932 3.840 1.00 73.44 H new ATOM 0 HD22 ASN A 15 20.684 -7.455 3.932 1.00 73.44 H new ATOM 215 N THR A 16 21.486 -11.384 0.786 1.00 14.13 N ATOM 216 CA THR A 16 21.237 -12.807 0.591 1.00 0.44 C ATOM 217 C THR A 16 21.053 -13.135 -0.886 1.00 24.42 C ATOM 218 O THR A 16 20.211 -12.546 -1.564 1.00 60.31 O ATOM 219 CB THR A 16 19.990 -13.271 1.368 1.00 42.43 C ATOM 220 OG1 THR A 16 20.370 -13.749 2.663 1.00 74.42 O ATOM 221 CG2 THR A 16 19.258 -14.368 0.610 1.00 23.21 C ATOM 0 H THR A 16 20.663 -10.793 0.671 1.00 14.13 H new ATOM 0 HA THR A 16 22.111 -13.336 0.972 1.00 0.44 H new ATOM 0 HB THR A 16 19.319 -12.419 1.479 1.00 42.43 H new ATOM 0 HG1 THR A 16 19.572 -14.040 3.151 1.00 74.42 H new ATOM 0 HG21 THR A 16 18.381 -14.680 1.178 1.00 23.21 H new ATOM 0 HG22 THR A 16 18.945 -13.991 -0.363 1.00 23.21 H new ATOM 0 HG23 THR A 16 19.923 -15.221 0.472 1.00 23.21 H new ATOM 229 N THR A 17 21.847 -14.081 -1.380 1.00 53.21 N ATOM 230 CA THR A 17 21.772 -14.488 -2.778 1.00 12.35 C ATOM 231 C THR A 17 21.941 -15.996 -2.921 1.00 1.12 C ATOM 232 O THR A 17 22.150 -16.506 -4.022 1.00 22.41 O ATOM 233 CB THR A 17 22.844 -13.779 -3.627 1.00 73.32 C ATOM 234 OG1 THR A 17 24.150 -14.201 -3.219 1.00 71.45 O ATOM 235 CG2 THR A 17 22.729 -12.268 -3.493 1.00 72.34 C ATOM 0 H THR A 17 22.549 -14.579 -0.833 1.00 53.21 H new ATOM 0 HA THR A 17 20.785 -14.200 -3.139 1.00 12.35 H new ATOM 0 HB THR A 17 22.685 -14.048 -4.671 1.00 73.32 H new ATOM 0 HG1 THR A 17 24.826 -13.747 -3.765 1.00 71.45 H new ATOM 0 HG21 THR A 17 23.496 -11.789 -4.101 1.00 72.34 H new ATOM 0 HG22 THR A 17 21.744 -11.947 -3.832 1.00 72.34 H new ATOM 0 HG23 THR A 17 22.864 -11.984 -2.449 1.00 72.34 H new ATOM 243 N THR A 18 21.849 -16.706 -1.801 1.00 32.32 N ATOM 244 CA THR A 18 21.992 -18.157 -1.802 1.00 1.44 C ATOM 245 C THR A 18 20.649 -18.842 -2.025 1.00 51.23 C ATOM 246 O THR A 18 20.590 -20.044 -2.280 1.00 71.24 O ATOM 247 CB THR A 18 22.599 -18.662 -0.479 1.00 44.13 C ATOM 248 OG1 THR A 18 23.520 -17.695 0.038 1.00 64.12 O ATOM 249 CG2 THR A 18 23.312 -19.990 -0.684 1.00 21.12 C ATOM 0 H THR A 18 21.676 -16.300 -0.881 1.00 32.32 H new ATOM 0 HA THR A 18 22.665 -18.408 -2.622 1.00 1.44 H new ATOM 0 HB THR A 18 21.789 -18.809 0.235 1.00 44.13 H new ATOM 0 HG1 THR A 18 23.900 -18.023 0.880 1.00 64.12 H new ATOM 0 HG21 THR A 18 23.733 -20.327 0.263 1.00 21.12 H new ATOM 0 HG22 THR A 18 22.602 -20.731 -1.050 1.00 21.12 H new ATOM 0 HG23 THR A 18 24.113 -19.864 -1.412 1.00 21.12 H new ATOM 257 N MET A 19 19.572 -18.069 -1.929 1.00 2.33 N ATOM 258 CA MET A 19 18.229 -18.602 -2.123 1.00 31.23 C ATOM 259 C MET A 19 18.068 -19.171 -3.529 1.00 54.51 C ATOM 260 O MET A 19 18.841 -18.849 -4.431 1.00 12.32 O ATOM 261 CB MET A 19 17.184 -17.512 -1.878 1.00 32.14 C ATOM 262 CG MET A 19 17.092 -16.494 -3.003 1.00 22.13 C ATOM 263 SD MET A 19 17.226 -14.795 -2.414 1.00 43.15 S ATOM 264 CE MET A 19 17.500 -13.924 -3.955 1.00 40.24 C ATOM 0 H MET A 19 19.603 -17.072 -1.718 1.00 2.33 H new ATOM 0 HA MET A 19 18.078 -19.408 -1.405 1.00 31.23 H new ATOM 0 HB2 MET A 19 16.209 -17.979 -1.741 1.00 32.14 H new ATOM 0 HB3 MET A 19 17.422 -16.994 -0.949 1.00 32.14 H new ATOM 0 HG2 MET A 19 17.883 -16.687 -3.728 1.00 22.13 H new ATOM 0 HG3 MET A 19 16.144 -16.620 -3.525 1.00 22.13 H new ATOM 0 HE1 MET A 19 18.404 -13.320 -3.876 1.00 40.24 H new ATOM 0 HE2 MET A 19 17.614 -14.645 -4.765 1.00 40.24 H new ATOM 0 HE3 MET A 19 16.648 -13.276 -4.163 1.00 40.24 H new ATOM 274 N MET A 20 17.059 -20.017 -3.708 1.00 71.03 N ATOM 275 CA MET A 20 16.797 -20.629 -5.006 1.00 33.02 C ATOM 276 C MET A 20 16.389 -19.576 -6.031 1.00 42.12 C ATOM 277 O MET A 20 15.232 -19.160 -6.082 1.00 31.54 O ATOM 278 CB MET A 20 15.700 -21.688 -4.882 1.00 32.23 C ATOM 279 CG MET A 20 16.131 -22.921 -4.105 1.00 31.53 C ATOM 280 SD MET A 20 14.774 -23.672 -3.185 1.00 20.51 S ATOM 281 CE MET A 20 14.629 -22.537 -1.808 1.00 11.52 C ATOM 0 H MET A 20 16.410 -20.294 -2.972 1.00 71.03 H new ATOM 0 HA MET A 20 17.716 -21.106 -5.347 1.00 33.02 H new ATOM 0 HB2 MET A 20 14.832 -21.245 -4.393 1.00 32.23 H new ATOM 0 HB3 MET A 20 15.383 -21.990 -5.880 1.00 32.23 H new ATOM 0 HG2 MET A 20 16.546 -23.655 -4.796 1.00 31.53 H new ATOM 0 HG3 MET A 20 16.928 -22.649 -3.413 1.00 31.53 H new ATOM 0 HE1 MET A 20 13.943 -22.949 -1.068 1.00 11.52 H new ATOM 0 HE2 MET A 20 15.609 -22.390 -1.353 1.00 11.52 H new ATOM 0 HE3 MET A 20 14.247 -21.580 -2.164 1.00 11.52 H new ATOM 291 N ALA A 21 17.348 -19.148 -6.847 1.00 34.25 N ATOM 292 CA ALA A 21 17.087 -18.145 -7.871 1.00 43.14 C ATOM 293 C ALA A 21 17.402 -18.686 -9.262 1.00 23.11 C ATOM 294 O ALA A 21 18.223 -19.590 -9.415 1.00 62.41 O ATOM 295 CB ALA A 21 17.898 -16.887 -7.596 1.00 52.05 C ATOM 0 H ALA A 21 18.312 -19.481 -6.818 1.00 34.25 H new ATOM 0 HA ALA A 21 16.027 -17.895 -7.838 1.00 43.14 H new ATOM 0 HB1 ALA A 21 17.693 -16.146 -8.369 1.00 52.05 H new ATOM 0 HB2 ALA A 21 17.622 -16.482 -6.622 1.00 52.05 H new ATOM 0 HB3 ALA A 21 18.960 -17.131 -7.600 1.00 52.05 H new ATOM 301 N SER A 22 16.744 -18.127 -10.272 1.00 61.34 N ATOM 302 CA SER A 22 16.951 -18.557 -11.650 1.00 71.34 C ATOM 303 C SER A 22 17.769 -17.528 -12.424 1.00 12.41 C ATOM 304 O SER A 22 17.729 -16.335 -12.124 1.00 72.21 O ATOM 305 CB SER A 22 15.606 -18.782 -12.344 1.00 31.40 C ATOM 306 OG SER A 22 14.618 -19.201 -11.418 1.00 3.00 O ATOM 0 H SER A 22 16.063 -17.375 -10.162 1.00 61.34 H new ATOM 0 HA SER A 22 17.504 -19.496 -11.632 1.00 71.34 H new ATOM 0 HB2 SER A 22 15.286 -17.861 -12.830 1.00 31.40 H new ATOM 0 HB3 SER A 22 15.718 -19.533 -13.126 1.00 31.40 H new ATOM 0 HG SER A 22 14.057 -18.437 -11.170 1.00 3.00 H new ATOM 312 N ASN A 23 18.510 -17.998 -13.421 1.00 65.52 N ATOM 313 CA ASN A 23 19.339 -17.120 -14.238 1.00 41.35 C ATOM 314 C ASN A 23 18.499 -16.016 -14.874 1.00 1.21 C ATOM 315 O ASN A 23 19.011 -14.948 -15.212 1.00 23.52 O ATOM 316 CB ASN A 23 20.052 -17.924 -15.327 1.00 44.12 C ATOM 317 CG ASN A 23 21.140 -18.819 -14.766 1.00 5.32 C ATOM 318 OD1 ASN A 23 20.948 -20.025 -14.609 1.00 3.54 O ATOM 319 ND2 ASN A 23 22.291 -18.230 -14.460 1.00 61.43 N ATOM 0 H ASN A 23 18.554 -18.983 -13.683 1.00 65.52 H new ATOM 0 HA ASN A 23 20.084 -16.659 -13.590 1.00 41.35 H new ATOM 0 HB2 ASN A 23 19.323 -18.534 -15.861 1.00 44.12 H new ATOM 0 HB3 ASN A 23 20.488 -17.239 -16.054 1.00 44.12 H new ATOM 0 HD21 ASN A 23 23.060 -18.781 -14.078 1.00 61.43 H new ATOM 0 HD22 ASN A 23 22.406 -17.227 -14.607 1.00 61.43 H new ATOM 326 N ASP A 24 17.207 -16.281 -15.033 1.00 1.52 N ATOM 327 CA ASP A 24 16.295 -15.310 -15.626 1.00 10.51 C ATOM 328 C ASP A 24 15.659 -14.434 -14.551 1.00 3.24 C ATOM 329 O ASP A 24 15.328 -13.274 -14.796 1.00 43.34 O ATOM 330 CB ASP A 24 15.207 -16.024 -16.428 1.00 74.24 C ATOM 331 CG ASP A 24 15.618 -16.275 -17.866 1.00 13.11 C ATOM 332 OD1 ASP A 24 16.814 -16.544 -18.102 1.00 51.52 O ATOM 333 OD2 ASP A 24 14.743 -16.202 -18.755 1.00 2.32 O ATOM 0 H ASP A 24 16.768 -17.160 -14.760 1.00 1.52 H new ATOM 0 HA ASP A 24 16.870 -14.671 -16.296 1.00 10.51 H new ATOM 0 HB2 ASP A 24 14.972 -16.975 -15.949 1.00 74.24 H new ATOM 0 HB3 ASP A 24 14.296 -15.425 -16.413 1.00 74.24 H new ATOM 338 N ASP A 25 15.491 -14.997 -13.359 1.00 71.14 N ATOM 339 CA ASP A 25 14.895 -14.268 -12.246 1.00 53.22 C ATOM 340 C ASP A 25 15.894 -13.285 -11.643 1.00 74.21 C ATOM 341 O ASP A 25 15.527 -12.183 -11.234 1.00 24.32 O ATOM 342 CB ASP A 25 14.408 -15.242 -11.173 1.00 34.43 C ATOM 343 CG ASP A 25 13.376 -16.219 -11.703 1.00 22.14 C ATOM 344 OD1 ASP A 25 13.020 -16.116 -12.895 1.00 34.03 O ATOM 345 OD2 ASP A 25 12.925 -17.086 -10.925 1.00 11.02 O ATOM 0 H ASP A 25 15.759 -15.956 -13.139 1.00 71.14 H new ATOM 0 HA ASP A 25 14.043 -13.705 -12.627 1.00 53.22 H new ATOM 0 HB2 ASP A 25 15.259 -15.796 -10.776 1.00 34.43 H new ATOM 0 HB3 ASP A 25 13.979 -14.680 -10.344 1.00 34.43 H new ATOM 350 N LYS A 26 17.157 -13.692 -11.590 1.00 44.12 N ATOM 351 CA LYS A 26 18.211 -12.848 -11.038 1.00 34.55 C ATOM 352 C LYS A 26 18.433 -11.616 -11.908 1.00 4.22 C ATOM 353 O LYS A 26 19.079 -10.655 -11.487 1.00 51.42 O ATOM 354 CB LYS A 26 19.514 -13.641 -10.913 1.00 41.52 C ATOM 355 CG LYS A 26 19.414 -14.833 -9.978 1.00 62.43 C ATOM 356 CD LYS A 26 20.650 -14.961 -9.103 1.00 72.02 C ATOM 357 CE LYS A 26 21.814 -15.572 -9.868 1.00 72.31 C ATOM 358 NZ LYS A 26 21.663 -17.046 -10.023 1.00 1.31 N ATOM 0 H LYS A 26 17.477 -14.602 -11.923 1.00 44.12 H new ATOM 0 HA LYS A 26 17.898 -12.518 -10.047 1.00 34.55 H new ATOM 0 HB2 LYS A 26 19.813 -13.990 -11.901 1.00 41.52 H new ATOM 0 HB3 LYS A 26 20.301 -12.976 -10.557 1.00 41.52 H new ATOM 0 HG2 LYS A 26 18.530 -14.729 -9.348 1.00 62.43 H new ATOM 0 HG3 LYS A 26 19.284 -15.744 -10.562 1.00 62.43 H new ATOM 0 HD2 LYS A 26 20.935 -13.978 -8.729 1.00 72.02 H new ATOM 0 HD3 LYS A 26 20.420 -15.578 -8.235 1.00 72.02 H new ATOM 0 HE2 LYS A 26 21.885 -15.109 -10.852 1.00 72.31 H new ATOM 0 HE3 LYS A 26 22.746 -15.355 -9.346 1.00 72.31 H new ATOM 0 HZ1 LYS A 26 22.522 -17.439 -10.459 1.00 1.31 H new ATOM 0 HZ2 LYS A 26 21.519 -17.480 -9.089 1.00 1.31 H new ATOM 0 HZ3 LYS A 26 20.843 -17.249 -10.630 1.00 1.31 H new ATOM 372 N LEU A 27 17.895 -11.649 -13.122 1.00 32.13 N ATOM 373 CA LEU A 27 18.033 -10.533 -14.051 1.00 65.32 C ATOM 374 C LEU A 27 16.861 -9.566 -13.920 1.00 70.52 C ATOM 375 O LEU A 27 16.877 -8.475 -14.490 1.00 42.30 O ATOM 376 CB LEU A 27 18.126 -11.049 -15.488 1.00 74.42 C ATOM 377 CG LEU A 27 18.561 -10.030 -16.541 1.00 41.40 C ATOM 378 CD1 LEU A 27 19.890 -10.435 -17.159 1.00 4.32 C ATOM 379 CD2 LEU A 27 17.494 -9.884 -17.616 1.00 13.22 C ATOM 0 H LEU A 27 17.359 -12.437 -13.486 1.00 32.13 H new ATOM 0 HA LEU A 27 18.950 -9.998 -13.803 1.00 65.32 H new ATOM 0 HB2 LEU A 27 18.827 -11.884 -15.508 1.00 74.42 H new ATOM 0 HB3 LEU A 27 17.151 -11.444 -15.775 1.00 74.42 H new ATOM 0 HG LEU A 27 18.690 -9.064 -16.052 1.00 41.40 H new ATOM 0 HD11 LEU A 27 20.183 -9.698 -17.906 1.00 4.32 H new ATOM 0 HD12 LEU A 27 20.652 -10.487 -16.381 1.00 4.32 H new ATOM 0 HD13 LEU A 27 19.788 -11.411 -17.633 1.00 4.32 H new ATOM 0 HD21 LEU A 27 17.821 -9.154 -18.357 1.00 13.22 H new ATOM 0 HD22 LEU A 27 17.332 -10.847 -18.101 1.00 13.22 H new ATOM 0 HD23 LEU A 27 16.563 -9.546 -17.161 1.00 13.22 H new ATOM 391 N CYS A 28 15.847 -9.974 -13.165 1.00 52.32 N ATOM 392 CA CYS A 28 14.666 -9.143 -12.958 1.00 0.21 C ATOM 393 C CYS A 28 14.939 -8.061 -11.918 1.00 54.43 C ATOM 394 O CYS A 28 14.625 -6.889 -12.130 1.00 10.15 O ATOM 395 CB CYS A 28 13.482 -10.004 -12.517 1.00 32.12 C ATOM 396 SG CYS A 28 12.990 -11.257 -13.724 1.00 61.12 S ATOM 0 H CYS A 28 15.819 -10.874 -12.686 1.00 52.32 H new ATOM 0 HA CYS A 28 14.421 -8.659 -13.904 1.00 0.21 H new ATOM 0 HB2 CYS A 28 13.735 -10.498 -11.579 1.00 32.12 H new ATOM 0 HB3 CYS A 28 12.630 -9.355 -12.315 1.00 32.12 H new ATOM 0 HG CYS A 28 14.028 -11.960 -14.067 1.00 61.12 H new ATOM 402 N PHE A 29 15.523 -8.461 -10.794 1.00 31.20 N ATOM 403 CA PHE A 29 15.835 -7.526 -9.719 1.00 63.15 C ATOM 404 C PHE A 29 16.972 -6.592 -10.125 1.00 21.35 C ATOM 405 O PHE A 29 17.229 -5.586 -9.463 1.00 52.14 O ATOM 406 CB PHE A 29 16.214 -8.287 -8.447 1.00 12.41 C ATOM 407 CG PHE A 29 17.685 -8.563 -8.329 1.00 64.22 C ATOM 408 CD1 PHE A 29 18.526 -7.657 -7.703 1.00 62.21 C ATOM 409 CD2 PHE A 29 18.228 -9.729 -8.845 1.00 61.02 C ATOM 410 CE1 PHE A 29 19.881 -7.909 -7.593 1.00 12.33 C ATOM 411 CE2 PHE A 29 19.582 -9.986 -8.737 1.00 72.24 C ATOM 412 CZ PHE A 29 20.409 -9.074 -8.112 1.00 23.45 C ATOM 0 H PHE A 29 15.790 -9.427 -10.603 1.00 31.20 H new ATOM 0 HA PHE A 29 14.947 -6.925 -9.523 1.00 63.15 H new ATOM 0 HB2 PHE A 29 15.890 -7.712 -7.579 1.00 12.41 H new ATOM 0 HB3 PHE A 29 15.672 -9.233 -8.424 1.00 12.41 H new ATOM 0 HD1 PHE A 29 18.118 -6.743 -7.296 1.00 62.21 H new ATOM 0 HD2 PHE A 29 17.586 -10.445 -9.337 1.00 61.02 H new ATOM 0 HE1 PHE A 29 20.526 -7.195 -7.102 1.00 12.33 H new ATOM 0 HE2 PHE A 29 19.993 -10.899 -9.141 1.00 72.24 H new ATOM 0 HZ PHE A 29 21.467 -9.272 -8.029 1.00 23.45 H new ATOM 422 N TYR A 30 17.650 -6.934 -11.215 1.00 12.33 N ATOM 423 CA TYR A 30 18.761 -6.129 -11.707 1.00 42.51 C ATOM 424 C TYR A 30 18.260 -4.989 -12.589 1.00 72.33 C ATOM 425 O TYR A 30 18.911 -3.952 -12.715 1.00 11.12 O ATOM 426 CB TYR A 30 19.743 -7.001 -12.491 1.00 73.40 C ATOM 427 CG TYR A 30 20.260 -6.348 -13.753 1.00 34.01 C ATOM 428 CD1 TYR A 30 19.569 -6.467 -14.953 1.00 1.22 C ATOM 429 CD2 TYR A 30 21.439 -5.613 -13.746 1.00 35.04 C ATOM 430 CE1 TYR A 30 20.038 -5.872 -16.108 1.00 73.35 C ATOM 431 CE2 TYR A 30 21.914 -5.014 -14.896 1.00 12.10 C ATOM 432 CZ TYR A 30 21.210 -5.147 -16.075 1.00 2.52 C ATOM 433 OH TYR A 30 21.681 -4.552 -17.223 1.00 61.42 O ATOM 0 H TYR A 30 17.449 -7.763 -11.774 1.00 12.33 H new ATOM 0 HA TYR A 30 19.274 -5.700 -10.846 1.00 42.51 H new ATOM 0 HB2 TYR A 30 20.588 -7.250 -11.849 1.00 73.40 H new ATOM 0 HB3 TYR A 30 19.254 -7.940 -12.752 1.00 73.40 H new ATOM 0 HD1 TYR A 30 18.650 -7.034 -14.983 1.00 1.22 H new ATOM 0 HD2 TYR A 30 21.994 -5.508 -12.825 1.00 35.04 H new ATOM 0 HE1 TYR A 30 19.489 -5.974 -17.032 1.00 73.35 H new ATOM 0 HE2 TYR A 30 22.831 -4.445 -14.873 1.00 12.10 H new ATOM 0 HH TYR A 30 21.178 -4.887 -17.995 1.00 61.42 H new ATOM 443 N LYS A 31 17.096 -5.190 -13.199 1.00 24.10 N ATOM 444 CA LYS A 31 16.504 -4.181 -14.069 1.00 34.03 C ATOM 445 C LYS A 31 15.539 -3.291 -13.291 1.00 60.31 C ATOM 446 O LYS A 31 15.161 -2.215 -13.755 1.00 31.21 O ATOM 447 CB LYS A 31 15.771 -4.849 -15.234 1.00 73.41 C ATOM 448 CG LYS A 31 14.779 -5.914 -14.798 1.00 61.35 C ATOM 449 CD LYS A 31 14.020 -6.487 -15.983 1.00 72.34 C ATOM 450 CE LYS A 31 12.604 -6.887 -15.598 1.00 12.34 C ATOM 451 NZ LYS A 31 11.829 -7.383 -16.768 1.00 61.43 N ATOM 0 H LYS A 31 16.544 -6.043 -13.106 1.00 24.10 H new ATOM 0 HA LYS A 31 17.308 -3.559 -14.462 1.00 34.03 H new ATOM 0 HB2 LYS A 31 15.244 -4.086 -15.806 1.00 73.41 H new ATOM 0 HB3 LYS A 31 16.504 -5.299 -15.903 1.00 73.41 H new ATOM 0 HG2 LYS A 31 15.307 -6.715 -14.281 1.00 61.35 H new ATOM 0 HG3 LYS A 31 14.074 -5.486 -14.086 1.00 61.35 H new ATOM 0 HD2 LYS A 31 13.985 -5.750 -16.785 1.00 72.34 H new ATOM 0 HD3 LYS A 31 14.552 -7.356 -16.371 1.00 72.34 H new ATOM 0 HE2 LYS A 31 12.641 -7.662 -14.832 1.00 12.34 H new ATOM 0 HE3 LYS A 31 12.091 -6.031 -15.160 1.00 12.34 H new ATOM 0 HZ1 LYS A 31 10.831 -7.110 -16.664 1.00 61.43 H new ATOM 0 HZ2 LYS A 31 12.213 -6.967 -17.640 1.00 61.43 H new ATOM 0 HZ3 LYS A 31 11.901 -8.419 -16.818 1.00 61.43 H new ATOM 465 N TYR A 32 15.146 -3.746 -12.107 1.00 30.33 N ATOM 466 CA TYR A 32 14.225 -2.992 -11.265 1.00 52.33 C ATOM 467 C TYR A 32 14.957 -1.884 -10.514 1.00 15.23 C ATOM 468 O TYR A 32 14.475 -0.754 -10.427 1.00 50.00 O ATOM 469 CB TYR A 32 13.529 -3.923 -10.272 1.00 34.41 C ATOM 470 CG TYR A 32 12.586 -4.909 -10.925 1.00 23.34 C ATOM 471 CD1 TYR A 32 11.849 -4.557 -12.048 1.00 13.51 C ATOM 472 CD2 TYR A 32 12.434 -6.194 -10.418 1.00 63.43 C ATOM 473 CE1 TYR A 32 10.986 -5.454 -12.647 1.00 1.11 C ATOM 474 CE2 TYR A 32 11.575 -7.099 -11.012 1.00 1.03 C ATOM 475 CZ TYR A 32 10.853 -6.724 -12.125 1.00 51.13 C ATOM 476 OH TYR A 32 9.996 -7.621 -12.720 1.00 33.21 O ATOM 0 H TYR A 32 15.451 -4.634 -11.708 1.00 30.33 H new ATOM 0 HA TYR A 32 13.475 -2.535 -11.910 1.00 52.33 H new ATOM 0 HB2 TYR A 32 14.285 -4.473 -9.711 1.00 34.41 H new ATOM 0 HB3 TYR A 32 12.972 -3.322 -9.553 1.00 34.41 H new ATOM 0 HD1 TYR A 32 11.952 -3.564 -12.460 1.00 13.51 H new ATOM 0 HD2 TYR A 32 12.997 -6.490 -9.545 1.00 63.43 H new ATOM 0 HE1 TYR A 32 10.419 -5.163 -13.519 1.00 1.11 H new ATOM 0 HE2 TYR A 32 11.470 -8.094 -10.607 1.00 1.03 H new ATOM 0 HH TYR A 32 10.020 -8.470 -12.231 1.00 33.21 H new ATOM 486 N TYR A 33 16.123 -2.216 -9.973 1.00 21.25 N ATOM 487 CA TYR A 33 16.922 -1.251 -9.226 1.00 61.34 C ATOM 488 C TYR A 33 17.393 -0.118 -10.132 1.00 51.52 C ATOM 489 O TYR A 33 17.673 0.988 -9.669 1.00 11.31 O ATOM 490 CB TYR A 33 18.128 -1.942 -8.587 1.00 34.04 C ATOM 491 CG TYR A 33 18.883 -1.064 -7.615 1.00 22.02 C ATOM 492 CD1 TYR A 33 19.815 -0.137 -8.066 1.00 14.32 C ATOM 493 CD2 TYR A 33 18.667 -1.162 -6.246 1.00 34.20 C ATOM 494 CE1 TYR A 33 20.508 0.667 -7.182 1.00 10.23 C ATOM 495 CE2 TYR A 33 19.354 -0.361 -5.355 1.00 22.52 C ATOM 496 CZ TYR A 33 20.274 0.551 -5.827 1.00 51.43 C ATOM 497 OH TYR A 33 20.962 1.350 -4.943 1.00 31.14 O ATOM 0 H TYR A 33 16.537 -3.146 -10.037 1.00 21.25 H new ATOM 0 HA TYR A 33 16.295 -0.828 -8.441 1.00 61.34 H new ATOM 0 HB2 TYR A 33 17.789 -2.838 -8.067 1.00 34.04 H new ATOM 0 HB3 TYR A 33 18.809 -2.268 -9.374 1.00 34.04 H new ATOM 0 HD1 TYR A 33 20.001 -0.044 -9.126 1.00 14.32 H new ATOM 0 HD2 TYR A 33 17.949 -1.877 -5.872 1.00 34.20 H new ATOM 0 HE1 TYR A 33 21.229 1.382 -7.549 1.00 10.23 H new ATOM 0 HE2 TYR A 33 19.172 -0.449 -4.294 1.00 22.52 H new ATOM 0 HH TYR A 33 20.679 1.144 -4.028 1.00 31.14 H new ATOM 507 N LYS A 34 17.477 -0.400 -11.428 1.00 24.43 N ATOM 508 CA LYS A 34 17.912 0.594 -12.402 1.00 30.24 C ATOM 509 C LYS A 34 16.743 1.466 -12.848 1.00 74.40 C ATOM 510 O LYS A 34 16.880 2.681 -12.982 1.00 15.34 O ATOM 511 CB LYS A 34 18.542 -0.093 -13.615 1.00 45.33 C ATOM 512 CG LYS A 34 19.780 -0.906 -13.279 1.00 63.20 C ATOM 513 CD LYS A 34 20.817 -0.068 -12.550 1.00 63.13 C ATOM 514 CE LYS A 34 21.276 1.110 -13.396 1.00 11.22 C ATOM 515 NZ LYS A 34 22.000 0.667 -14.619 1.00 60.51 N ATOM 0 H LYS A 34 17.249 -1.310 -11.828 1.00 24.43 H new ATOM 0 HA LYS A 34 18.657 1.232 -11.926 1.00 30.24 H new ATOM 0 HB2 LYS A 34 17.802 -0.747 -14.076 1.00 45.33 H new ATOM 0 HB3 LYS A 34 18.804 0.663 -14.355 1.00 45.33 H new ATOM 0 HG2 LYS A 34 19.500 -1.758 -12.660 1.00 63.20 H new ATOM 0 HG3 LYS A 34 20.213 -1.306 -14.196 1.00 63.20 H new ATOM 0 HD2 LYS A 34 20.398 0.297 -11.613 1.00 63.13 H new ATOM 0 HD3 LYS A 34 21.675 -0.690 -12.294 1.00 63.13 H new ATOM 0 HE2 LYS A 34 20.412 1.709 -13.683 1.00 11.22 H new ATOM 0 HE3 LYS A 34 21.926 1.752 -12.802 1.00 11.22 H new ATOM 0 HZ1 LYS A 34 22.936 1.120 -14.652 1.00 60.51 H new ATOM 0 HZ2 LYS A 34 22.116 -0.366 -14.599 1.00 60.51 H new ATOM 0 HZ3 LYS A 34 21.455 0.938 -15.462 1.00 60.51 H new ATOM 529 N GLN A 35 15.594 0.836 -13.075 1.00 43.35 N ATOM 530 CA GLN A 35 14.402 1.556 -13.506 1.00 15.21 C ATOM 531 C GLN A 35 13.804 2.357 -12.354 1.00 35.12 C ATOM 532 O GLN A 35 13.162 3.385 -12.567 1.00 45.51 O ATOM 533 CB GLN A 35 13.362 0.579 -14.057 1.00 53.13 C ATOM 534 CG GLN A 35 13.110 0.736 -15.548 1.00 54.42 C ATOM 535 CD GLN A 35 14.073 -0.075 -16.392 1.00 2.13 C ATOM 536 OE1 GLN A 35 14.410 -1.210 -16.052 1.00 51.42 O ATOM 537 NE2 GLN A 35 14.523 0.504 -17.499 1.00 72.11 N ATOM 0 H GLN A 35 15.464 -0.170 -12.968 1.00 43.35 H new ATOM 0 HA GLN A 35 14.692 2.250 -14.295 1.00 15.21 H new ATOM 0 HB2 GLN A 35 13.692 -0.441 -13.858 1.00 53.13 H new ATOM 0 HB3 GLN A 35 12.423 0.720 -13.521 1.00 53.13 H new ATOM 0 HG2 GLN A 35 12.089 0.430 -15.774 1.00 54.42 H new ATOM 0 HG3 GLN A 35 13.194 1.789 -15.818 1.00 54.42 H new ATOM 0 HE21 GLN A 35 14.217 1.446 -17.742 1.00 72.11 H new ATOM 0 HE22 GLN A 35 15.174 0.007 -18.106 1.00 72.11 H new ATOM 546 N ALA A 36 14.018 1.878 -11.133 1.00 34.31 N ATOM 547 CA ALA A 36 13.501 2.550 -9.947 1.00 61.21 C ATOM 548 C ALA A 36 14.460 3.635 -9.470 1.00 22.03 C ATOM 549 O ALA A 36 14.200 4.316 -8.477 1.00 50.22 O ATOM 550 CB ALA A 36 13.248 1.541 -8.837 1.00 32.23 C ATOM 0 H ALA A 36 14.546 1.027 -10.939 1.00 34.31 H new ATOM 0 HA ALA A 36 12.557 3.026 -10.212 1.00 61.21 H new ATOM 0 HB1 ALA A 36 12.862 2.057 -7.958 1.00 32.23 H new ATOM 0 HB2 ALA A 36 12.519 0.804 -9.174 1.00 32.23 H new ATOM 0 HB3 ALA A 36 14.181 1.038 -8.583 1.00 32.23 H new ATOM 556 N THR A 37 15.572 3.791 -10.182 1.00 11.11 N ATOM 557 CA THR A 37 16.571 4.792 -9.830 1.00 11.12 C ATOM 558 C THR A 37 16.764 5.797 -10.959 1.00 53.54 C ATOM 559 O THR A 37 16.674 7.007 -10.749 1.00 54.24 O ATOM 560 CB THR A 37 17.927 4.141 -9.501 1.00 23.43 C ATOM 561 OG1 THR A 37 17.789 3.262 -8.378 1.00 44.23 O ATOM 562 CG2 THR A 37 18.977 5.199 -9.197 1.00 14.23 C ATOM 0 H THR A 37 15.803 3.236 -11.006 1.00 11.11 H new ATOM 0 HA THR A 37 16.201 5.310 -8.945 1.00 11.12 H new ATOM 0 HB THR A 37 18.251 3.570 -10.371 1.00 23.43 H new ATOM 0 HG1 THR A 37 17.491 2.381 -8.687 1.00 44.23 H new ATOM 0 HG21 THR A 37 19.926 4.714 -8.968 1.00 14.23 H new ATOM 0 HG22 THR A 37 19.101 5.848 -10.064 1.00 14.23 H new ATOM 0 HG23 THR A 37 18.657 5.794 -8.341 1.00 14.23 H new ATOM 570 N VAL A 38 17.029 5.289 -12.159 1.00 11.52 N ATOM 571 CA VAL A 38 17.233 6.144 -13.323 1.00 34.42 C ATOM 572 C VAL A 38 15.917 6.409 -14.046 1.00 43.34 C ATOM 573 O VAL A 38 15.436 7.541 -14.086 1.00 61.23 O ATOM 574 CB VAL A 38 18.232 5.515 -14.312 1.00 2.31 C ATOM 575 CG1 VAL A 38 18.403 6.403 -15.535 1.00 3.41 C ATOM 576 CG2 VAL A 38 19.570 5.267 -13.631 1.00 50.45 C ATOM 0 H VAL A 38 17.107 4.290 -12.350 1.00 11.52 H new ATOM 0 HA VAL A 38 17.640 7.087 -12.957 1.00 34.42 H new ATOM 0 HB VAL A 38 17.835 4.555 -14.643 1.00 2.31 H new ATOM 0 HG11 VAL A 38 19.112 5.943 -16.223 1.00 3.41 H new ATOM 0 HG12 VAL A 38 17.441 6.525 -16.033 1.00 3.41 H new ATOM 0 HG13 VAL A 38 18.778 7.379 -15.227 1.00 3.41 H new ATOM 0 HG21 VAL A 38 20.264 4.822 -14.344 1.00 50.45 H new ATOM 0 HG22 VAL A 38 19.976 6.212 -13.271 1.00 50.45 H new ATOM 0 HG23 VAL A 38 19.430 4.588 -12.790 1.00 50.45 H new ATOM 586 N GLY A 39 15.339 5.357 -14.618 1.00 23.11 N ATOM 587 CA GLY A 39 14.084 5.497 -15.333 1.00 1.24 C ATOM 588 C GLY A 39 14.036 4.653 -16.590 1.00 75.44 C ATOM 589 O GLY A 39 13.111 3.862 -16.780 1.00 23.32 O ATOM 0 H GLY A 39 15.718 4.410 -14.599 1.00 23.11 H new ATOM 0 HA2 GLY A 39 13.262 5.213 -14.676 1.00 1.24 H new ATOM 0 HA3 GLY A 39 13.934 6.544 -15.596 1.00 1.24 H new ATOM 593 N ASP A 40 15.032 4.821 -17.453 1.00 12.12 N ATOM 594 CA ASP A 40 15.099 4.068 -18.700 1.00 11.30 C ATOM 595 C ASP A 40 16.546 3.768 -19.076 1.00 45.34 C ATOM 596 O ASP A 40 17.461 4.502 -18.699 1.00 61.11 O ATOM 597 CB ASP A 40 14.416 4.845 -19.827 1.00 3.11 C ATOM 598 CG ASP A 40 15.183 6.094 -20.216 1.00 13.02 C ATOM 599 OD1 ASP A 40 15.561 6.865 -19.309 1.00 13.21 O ATOM 600 OD2 ASP A 40 15.405 6.300 -21.427 1.00 62.11 O ATOM 0 H ASP A 40 15.804 5.472 -17.312 1.00 12.12 H new ATOM 0 HA ASP A 40 14.577 3.122 -18.554 1.00 11.30 H new ATOM 0 HB2 ASP A 40 14.313 4.199 -20.699 1.00 3.11 H new ATOM 0 HB3 ASP A 40 13.409 5.123 -19.515 1.00 3.11 H new ATOM 605 N CYS A 41 16.747 2.686 -19.821 1.00 13.45 N ATOM 606 CA CYS A 41 18.084 2.288 -20.247 1.00 13.15 C ATOM 607 C CYS A 41 18.651 3.280 -21.257 1.00 14.33 C ATOM 608 O CYS A 41 17.929 3.790 -22.113 1.00 0.34 O ATOM 609 CB CYS A 41 18.051 0.885 -20.855 1.00 1.25 C ATOM 610 SG CYS A 41 19.622 0.358 -21.579 1.00 75.11 S ATOM 0 H CYS A 41 16.001 2.069 -20.142 1.00 13.45 H new ATOM 0 HA CYS A 41 18.731 2.281 -19.370 1.00 13.15 H new ATOM 0 HB2 CYS A 41 17.762 0.172 -20.082 1.00 1.25 H new ATOM 0 HB3 CYS A 41 17.279 0.852 -21.624 1.00 1.25 H new ATOM 0 HG CYS A 41 20.446 0.023 -20.631 1.00 75.11 H new ATOM 616 N ASN A 42 19.948 3.550 -21.149 1.00 55.42 N ATOM 617 CA ASN A 42 20.611 4.484 -22.052 1.00 62.21 C ATOM 618 C ASN A 42 22.111 4.208 -22.113 1.00 54.43 C ATOM 619 O ASN A 42 22.927 5.119 -21.968 1.00 31.41 O ATOM 620 CB ASN A 42 20.364 5.925 -21.601 1.00 71.15 C ATOM 621 CG ASN A 42 20.875 6.187 -20.198 1.00 12.41 C ATOM 622 OD1 ASN A 42 21.958 6.742 -20.013 1.00 43.04 O ATOM 623 ND2 ASN A 42 20.094 5.789 -19.200 1.00 64.42 N ATOM 0 H ASN A 42 20.560 3.136 -20.446 1.00 55.42 H new ATOM 0 HA ASN A 42 20.193 4.346 -23.049 1.00 62.21 H new ATOM 0 HB2 ASN A 42 20.851 6.609 -22.296 1.00 71.15 H new ATOM 0 HB3 ASN A 42 19.296 6.137 -21.641 1.00 71.15 H new ATOM 0 HD21 ASN A 42 20.384 5.940 -18.234 1.00 64.42 H new ATOM 0 HD22 ASN A 42 19.204 5.333 -19.400 1.00 64.42 H new ATOM 630 N LYS A 43 22.466 2.947 -22.330 1.00 65.20 N ATOM 631 CA LYS A 43 23.867 2.550 -22.413 1.00 30.32 C ATOM 632 C LYS A 43 24.155 1.841 -23.733 1.00 14.42 C ATOM 633 O LYS A 43 23.263 1.284 -24.373 1.00 52.10 O ATOM 634 CB LYS A 43 24.229 1.634 -21.241 1.00 40.31 C ATOM 635 CG LYS A 43 24.321 2.359 -19.909 1.00 74.42 C ATOM 636 CD LYS A 43 25.442 3.384 -19.908 1.00 12.10 C ATOM 637 CE LYS A 43 24.947 4.751 -19.460 1.00 74.21 C ATOM 638 NZ LYS A 43 24.790 4.827 -17.981 1.00 71.41 N ATOM 0 H LYS A 43 21.803 2.181 -22.452 1.00 65.20 H new ATOM 0 HA LYS A 43 24.477 3.452 -22.364 1.00 30.32 H new ATOM 0 HB2 LYS A 43 23.482 0.844 -21.164 1.00 40.31 H new ATOM 0 HB3 LYS A 43 25.184 1.151 -21.449 1.00 40.31 H new ATOM 0 HG2 LYS A 43 23.374 2.855 -19.697 1.00 74.42 H new ATOM 0 HG3 LYS A 43 24.488 1.636 -19.111 1.00 74.42 H new ATOM 0 HD2 LYS A 43 26.241 3.050 -19.246 1.00 12.10 H new ATOM 0 HD3 LYS A 43 25.868 3.460 -20.908 1.00 12.10 H new ATOM 0 HE2 LYS A 43 25.648 5.517 -19.791 1.00 74.21 H new ATOM 0 HE3 LYS A 43 23.991 4.966 -19.938 1.00 74.21 H new ATOM 0 HZ1 LYS A 43 24.451 5.774 -17.716 1.00 71.41 H new ATOM 0 HZ2 LYS A 43 24.102 4.113 -17.668 1.00 71.41 H new ATOM 0 HZ3 LYS A 43 25.707 4.647 -17.525 1.00 71.41 H new ATOM 652 N PRO A 44 25.429 1.861 -24.150 1.00 61.13 N ATOM 653 CA PRO A 44 25.864 1.223 -25.397 1.00 14.13 C ATOM 654 C PRO A 44 25.810 -0.299 -25.319 1.00 13.25 C ATOM 655 O PRO A 44 25.927 -0.880 -24.239 1.00 75.15 O ATOM 656 CB PRO A 44 27.310 1.700 -25.554 1.00 33.44 C ATOM 657 CG PRO A 44 27.760 2.006 -24.167 1.00 62.10 C ATOM 658 CD PRO A 44 26.544 2.506 -23.438 1.00 3.54 C ATOM 0 HA PRO A 44 25.220 1.487 -26.236 1.00 14.13 H new ATOM 0 HB2 PRO A 44 27.933 0.932 -26.012 1.00 33.44 H new ATOM 0 HB3 PRO A 44 27.369 2.581 -26.193 1.00 33.44 H new ATOM 0 HG2 PRO A 44 28.167 1.118 -23.684 1.00 62.10 H new ATOM 0 HG3 PRO A 44 28.550 2.757 -24.170 1.00 62.10 H new ATOM 0 HD2 PRO A 44 26.564 2.226 -22.385 1.00 3.54 H new ATOM 0 HD3 PRO A 44 26.471 3.593 -23.477 1.00 3.54 H new ATOM 666 N LYS A 45 25.632 -0.940 -26.469 1.00 5.22 N ATOM 667 CA LYS A 45 25.565 -2.395 -26.532 1.00 12.11 C ATOM 668 C LYS A 45 26.874 -3.021 -26.064 1.00 24.34 C ATOM 669 O LYS A 45 27.960 -2.663 -26.521 1.00 20.41 O ATOM 670 CB LYS A 45 25.251 -2.850 -27.959 1.00 21.00 C ATOM 671 CG LYS A 45 25.091 -4.354 -28.096 1.00 62.24 C ATOM 672 CD LYS A 45 23.644 -4.740 -28.351 1.00 32.24 C ATOM 673 CE LYS A 45 23.539 -6.101 -29.021 1.00 65.43 C ATOM 674 NZ LYS A 45 23.414 -5.983 -30.500 1.00 54.23 N ATOM 0 H LYS A 45 25.531 -0.474 -27.371 1.00 5.22 H new ATOM 0 HA LYS A 45 24.767 -2.726 -25.868 1.00 12.11 H new ATOM 0 HB2 LYS A 45 24.335 -2.364 -28.293 1.00 21.00 H new ATOM 0 HB3 LYS A 45 26.049 -2.516 -28.622 1.00 21.00 H new ATOM 0 HG2 LYS A 45 25.714 -4.714 -28.915 1.00 62.24 H new ATOM 0 HG3 LYS A 45 25.444 -4.843 -27.188 1.00 62.24 H new ATOM 0 HD2 LYS A 45 23.099 -4.755 -27.407 1.00 32.24 H new ATOM 0 HD3 LYS A 45 23.171 -3.986 -28.980 1.00 32.24 H new ATOM 0 HE2 LYS A 45 24.420 -6.695 -28.777 1.00 65.43 H new ATOM 0 HE3 LYS A 45 22.675 -6.635 -28.625 1.00 65.43 H new ATOM 0 HZ1 LYS A 45 23.345 -6.932 -30.919 1.00 54.23 H new ATOM 0 HZ2 LYS A 45 22.560 -5.438 -30.734 1.00 54.23 H new ATOM 0 HZ3 LYS A 45 24.250 -5.496 -30.881 1.00 54.23 H new ATOM 688 N PRO A 46 26.773 -3.980 -25.131 1.00 54.10 N ATOM 689 CA PRO A 46 27.939 -4.678 -24.582 1.00 43.44 C ATOM 690 C PRO A 46 28.594 -5.603 -25.602 1.00 41.24 C ATOM 691 O PRO A 46 28.331 -5.508 -26.800 1.00 53.43 O ATOM 692 CB PRO A 46 27.355 -5.488 -23.423 1.00 30.22 C ATOM 693 CG PRO A 46 25.924 -5.689 -23.785 1.00 31.44 C ATOM 694 CD PRO A 46 25.511 -4.457 -24.541 1.00 33.03 C ATOM 0 HA PRO A 46 28.725 -3.985 -24.282 1.00 43.44 H new ATOM 0 HB2 PRO A 46 27.871 -6.441 -23.306 1.00 30.22 H new ATOM 0 HB3 PRO A 46 27.453 -4.954 -22.478 1.00 30.22 H new ATOM 0 HG2 PRO A 46 25.798 -6.583 -24.396 1.00 31.44 H new ATOM 0 HG3 PRO A 46 25.311 -5.824 -22.894 1.00 31.44 H new ATOM 0 HD2 PRO A 46 24.770 -4.685 -25.307 1.00 33.03 H new ATOM 0 HD3 PRO A 46 25.068 -3.710 -23.882 1.00 33.03 H new ATOM 702 N GLY A 47 29.449 -6.499 -25.119 1.00 21.01 N ATOM 703 CA GLY A 47 30.128 -7.429 -26.002 1.00 51.25 C ATOM 704 C GLY A 47 29.174 -8.129 -26.950 1.00 64.22 C ATOM 705 O GLY A 47 27.958 -8.075 -26.770 1.00 43.51 O ATOM 0 H GLY A 47 29.684 -6.597 -24.131 1.00 21.01 H new ATOM 0 HA2 GLY A 47 30.881 -6.893 -26.579 1.00 51.25 H new ATOM 0 HA3 GLY A 47 30.654 -8.174 -25.405 1.00 51.25 H new ATOM 709 N MET A 48 29.727 -8.788 -27.964 1.00 2.25 N ATOM 710 CA MET A 48 28.917 -9.501 -28.944 1.00 34.44 C ATOM 711 C MET A 48 29.198 -11.000 -28.894 1.00 41.34 C ATOM 712 O MET A 48 28.835 -11.740 -29.809 1.00 74.40 O ATOM 713 CB MET A 48 29.190 -8.965 -30.350 1.00 75.22 C ATOM 714 CG MET A 48 27.975 -8.326 -31.003 1.00 72.02 C ATOM 715 SD MET A 48 28.416 -7.001 -32.144 1.00 60.31 S ATOM 716 CE MET A 48 27.195 -7.243 -33.432 1.00 64.44 C ATOM 0 H MET A 48 30.732 -8.843 -28.128 1.00 2.25 H new ATOM 0 HA MET A 48 27.867 -9.338 -28.699 1.00 34.44 H new ATOM 0 HB2 MET A 48 29.994 -8.231 -30.300 1.00 75.22 H new ATOM 0 HB3 MET A 48 29.543 -9.782 -30.979 1.00 75.22 H new ATOM 0 HG2 MET A 48 27.412 -9.090 -31.539 1.00 72.02 H new ATOM 0 HG3 MET A 48 27.318 -7.930 -30.229 1.00 72.02 H new ATOM 0 HE1 MET A 48 27.338 -6.497 -34.213 1.00 64.44 H new ATOM 0 HE2 MET A 48 27.308 -8.240 -33.858 1.00 64.44 H new ATOM 0 HE3 MET A 48 26.195 -7.140 -33.010 1.00 64.44 H new ATOM 726 N LEU A 49 29.847 -11.440 -27.822 1.00 64.24 N ATOM 727 CA LEU A 49 30.178 -12.851 -27.654 1.00 70.12 C ATOM 728 C LEU A 49 29.639 -13.382 -26.330 1.00 22.51 C ATOM 729 O LEU A 49 29.769 -14.568 -26.028 1.00 23.33 O ATOM 730 CB LEU A 49 31.693 -13.051 -27.719 1.00 21.43 C ATOM 731 CG LEU A 49 32.539 -12.018 -26.974 1.00 41.34 C ATOM 732 CD1 LEU A 49 32.576 -10.705 -27.742 1.00 70.52 C ATOM 733 CD2 LEU A 49 32.000 -11.800 -25.568 1.00 52.02 C ATOM 0 H LEU A 49 30.155 -10.841 -27.056 1.00 64.24 H new ATOM 0 HA LEU A 49 29.710 -13.408 -28.465 1.00 70.12 H new ATOM 0 HB2 LEU A 49 31.926 -14.038 -27.320 1.00 21.43 H new ATOM 0 HB3 LEU A 49 31.995 -13.051 -28.766 1.00 21.43 H new ATOM 0 HG LEU A 49 33.557 -12.399 -26.896 1.00 41.34 H new ATOM 0 HD11 LEU A 49 33.182 -9.982 -27.197 1.00 70.52 H new ATOM 0 HD12 LEU A 49 33.009 -10.872 -28.728 1.00 70.52 H new ATOM 0 HD13 LEU A 49 31.563 -10.319 -27.852 1.00 70.52 H new ATOM 0 HD21 LEU A 49 32.615 -11.062 -25.053 1.00 52.02 H new ATOM 0 HD22 LEU A 49 30.972 -11.441 -25.624 1.00 52.02 H new ATOM 0 HD23 LEU A 49 32.026 -12.741 -25.018 1.00 52.02 H new ATOM 745 N GLN A 50 29.033 -12.497 -25.546 1.00 34.22 N ATOM 746 CA GLN A 50 28.473 -12.878 -24.254 1.00 72.45 C ATOM 747 C GLN A 50 26.992 -13.221 -24.383 1.00 22.11 C ATOM 748 O GLN A 50 26.333 -12.823 -25.344 1.00 61.24 O ATOM 749 CB GLN A 50 28.661 -11.749 -23.240 1.00 31.11 C ATOM 750 CG GLN A 50 29.713 -12.049 -22.184 1.00 41.44 C ATOM 751 CD GLN A 50 29.801 -10.968 -21.125 1.00 33.24 C ATOM 752 OE1 GLN A 50 29.863 -11.258 -19.930 1.00 22.34 O ATOM 753 NE2 GLN A 50 29.806 -9.713 -21.558 1.00 11.14 N ATOM 0 H GLN A 50 28.917 -11.512 -25.782 1.00 34.22 H new ATOM 0 HA GLN A 50 29.003 -13.763 -23.903 1.00 72.45 H new ATOM 0 HB2 GLN A 50 28.940 -10.838 -23.770 1.00 31.11 H new ATOM 0 HB3 GLN A 50 27.709 -11.552 -22.747 1.00 31.11 H new ATOM 0 HG2 GLN A 50 29.482 -13.002 -21.707 1.00 41.44 H new ATOM 0 HG3 GLN A 50 30.684 -12.161 -22.666 1.00 41.44 H new ATOM 0 HE21 GLN A 50 29.753 -9.518 -22.558 1.00 11.14 H new ATOM 0 HE22 GLN A 50 29.863 -8.944 -20.891 1.00 11.14 H new ATOM 762 N LEU A 51 26.475 -13.961 -23.409 1.00 31.52 N ATOM 763 CA LEU A 51 25.071 -14.359 -23.413 1.00 2.43 C ATOM 764 C LEU A 51 24.223 -13.369 -22.620 1.00 22.11 C ATOM 765 O LEU A 51 23.300 -12.759 -23.158 1.00 35.32 O ATOM 766 CB LEU A 51 24.917 -15.763 -22.828 1.00 34.53 C ATOM 767 CG LEU A 51 25.843 -16.835 -23.402 1.00 63.52 C ATOM 768 CD1 LEU A 51 25.990 -16.664 -24.906 1.00 71.11 C ATOM 769 CD2 LEU A 51 27.204 -16.784 -22.723 1.00 31.35 C ATOM 0 H LEU A 51 27.006 -14.298 -22.606 1.00 31.52 H new ATOM 0 HA LEU A 51 24.722 -14.363 -24.446 1.00 2.43 H new ATOM 0 HB2 LEU A 51 25.083 -15.707 -21.752 1.00 34.53 H new ATOM 0 HB3 LEU A 51 23.886 -16.085 -22.975 1.00 34.53 H new ATOM 0 HG LEU A 51 25.399 -17.812 -23.209 1.00 63.52 H new ATOM 0 HD11 LEU A 51 26.653 -17.436 -25.297 1.00 71.11 H new ATOM 0 HD12 LEU A 51 25.012 -16.751 -25.379 1.00 71.11 H new ATOM 0 HD13 LEU A 51 26.411 -15.682 -25.121 1.00 71.11 H new ATOM 0 HD21 LEU A 51 27.850 -17.554 -23.144 1.00 31.35 H new ATOM 0 HD22 LEU A 51 27.654 -15.805 -22.884 1.00 31.35 H new ATOM 0 HD23 LEU A 51 27.084 -16.957 -21.653 1.00 31.35 H new ATOM 781 N GLN A 52 24.546 -13.214 -21.340 1.00 35.22 N ATOM 782 CA GLN A 52 23.814 -12.297 -20.474 1.00 32.31 C ATOM 783 C GLN A 52 23.905 -10.867 -20.995 1.00 5.34 C ATOM 784 O GLN A 52 23.115 -10.005 -20.611 1.00 22.32 O ATOM 785 CB GLN A 52 24.357 -12.368 -19.046 1.00 34.55 C ATOM 786 CG GLN A 52 25.872 -12.275 -18.965 1.00 52.22 C ATOM 787 CD GLN A 52 26.518 -13.589 -18.574 1.00 32.14 C ATOM 788 OE1 GLN A 52 26.290 -14.104 -17.479 1.00 32.33 O ATOM 789 NE2 GLN A 52 27.330 -14.140 -19.469 1.00 14.24 N ATOM 0 H GLN A 52 25.309 -13.711 -20.880 1.00 35.22 H new ATOM 0 HA GLN A 52 22.766 -12.597 -20.472 1.00 32.31 H new ATOM 0 HB2 GLN A 52 23.920 -11.560 -18.460 1.00 34.55 H new ATOM 0 HB3 GLN A 52 24.034 -13.304 -18.590 1.00 34.55 H new ATOM 0 HG2 GLN A 52 26.264 -11.955 -19.930 1.00 52.22 H new ATOM 0 HG3 GLN A 52 26.147 -11.510 -18.239 1.00 52.22 H new ATOM 0 HE21 GLN A 52 27.490 -13.679 -20.364 1.00 14.24 H new ATOM 0 HE22 GLN A 52 27.793 -15.025 -19.261 1.00 14.24 H new ATOM 798 N GLU A 53 24.875 -10.622 -21.870 1.00 44.22 N ATOM 799 CA GLU A 53 25.070 -9.295 -22.442 1.00 2.30 C ATOM 800 C GLU A 53 23.830 -8.846 -23.210 1.00 1.32 C ATOM 801 O GLU A 53 23.466 -7.670 -23.191 1.00 41.34 O ATOM 802 CB GLU A 53 26.288 -9.288 -23.369 1.00 35.11 C ATOM 803 CG GLU A 53 26.108 -10.138 -24.615 1.00 61.34 C ATOM 804 CD GLU A 53 25.661 -9.327 -25.816 1.00 12.23 C ATOM 805 OE1 GLU A 53 25.002 -8.285 -25.616 1.00 42.01 O ATOM 806 OE2 GLU A 53 25.970 -9.734 -26.955 1.00 62.31 O ATOM 0 H GLU A 53 25.538 -11.325 -22.198 1.00 44.22 H new ATOM 0 HA GLU A 53 25.242 -8.596 -21.623 1.00 2.30 H new ATOM 0 HB2 GLU A 53 26.501 -8.262 -23.667 1.00 35.11 H new ATOM 0 HB3 GLU A 53 27.157 -9.647 -22.817 1.00 35.11 H new ATOM 0 HG2 GLU A 53 27.048 -10.637 -24.848 1.00 61.34 H new ATOM 0 HG3 GLU A 53 25.374 -10.918 -24.415 1.00 61.34 H new ATOM 813 N LYS A 54 23.185 -9.791 -23.885 1.00 43.01 N ATOM 814 CA LYS A 54 21.986 -9.496 -24.659 1.00 53.55 C ATOM 815 C LYS A 54 20.765 -9.384 -23.751 1.00 63.51 C ATOM 816 O LYS A 54 19.965 -8.458 -23.882 1.00 33.24 O ATOM 817 CB LYS A 54 21.754 -10.581 -25.713 1.00 35.11 C ATOM 818 CG LYS A 54 22.791 -10.584 -26.822 1.00 51.13 C ATOM 819 CD LYS A 54 23.721 -11.780 -26.713 1.00 23.23 C ATOM 820 CE LYS A 54 22.974 -13.089 -26.920 1.00 53.51 C ATOM 821 NZ LYS A 54 22.160 -13.071 -28.167 1.00 51.31 N ATOM 0 H LYS A 54 23.473 -10.769 -23.911 1.00 43.01 H new ATOM 0 HA LYS A 54 22.134 -8.539 -25.159 1.00 53.55 H new ATOM 0 HB2 LYS A 54 21.754 -11.556 -25.225 1.00 35.11 H new ATOM 0 HB3 LYS A 54 20.766 -10.444 -26.152 1.00 35.11 H new ATOM 0 HG2 LYS A 54 22.290 -10.599 -27.790 1.00 51.13 H new ATOM 0 HG3 LYS A 54 23.374 -9.664 -26.779 1.00 51.13 H new ATOM 0 HD2 LYS A 54 24.516 -11.693 -27.454 1.00 23.23 H new ATOM 0 HD3 LYS A 54 24.198 -11.783 -25.733 1.00 23.23 H new ATOM 0 HE2 LYS A 54 23.688 -13.912 -26.964 1.00 53.51 H new ATOM 0 HE3 LYS A 54 22.325 -13.276 -26.065 1.00 53.51 H new ATOM 0 HZ1 LYS A 54 21.888 -14.043 -28.418 1.00 51.31 H new ATOM 0 HZ2 LYS A 54 21.304 -12.501 -28.014 1.00 51.31 H new ATOM 0 HZ3 LYS A 54 22.719 -12.657 -28.940 1.00 51.31 H new ATOM 835 N TYR A 55 20.630 -10.333 -22.831 1.00 4.21 N ATOM 836 CA TYR A 55 19.507 -10.342 -21.901 1.00 50.45 C ATOM 837 C TYR A 55 19.565 -9.139 -20.965 1.00 3.40 C ATOM 838 O TYR A 55 18.622 -8.352 -20.886 1.00 12.53 O ATOM 839 CB TYR A 55 19.502 -11.636 -21.087 1.00 31.31 C ATOM 840 CG TYR A 55 19.787 -12.871 -21.911 1.00 63.32 C ATOM 841 CD1 TYR A 55 19.232 -13.031 -23.175 1.00 23.02 C ATOM 842 CD2 TYR A 55 20.613 -13.878 -21.426 1.00 61.24 C ATOM 843 CE1 TYR A 55 19.490 -14.158 -23.931 1.00 32.23 C ATOM 844 CE2 TYR A 55 20.877 -15.008 -22.176 1.00 64.20 C ATOM 845 CZ TYR A 55 20.313 -15.144 -23.427 1.00 40.33 C ATOM 846 OH TYR A 55 20.573 -16.267 -24.178 1.00 22.42 O ATOM 0 H TYR A 55 21.284 -11.106 -22.709 1.00 4.21 H new ATOM 0 HA TYR A 55 18.587 -10.283 -22.482 1.00 50.45 H new ATOM 0 HB2 TYR A 55 20.246 -11.559 -20.294 1.00 31.31 H new ATOM 0 HB3 TYR A 55 18.531 -11.748 -20.604 1.00 31.31 H new ATOM 0 HD1 TYR A 55 18.588 -12.261 -23.573 1.00 23.02 H new ATOM 0 HD2 TYR A 55 21.056 -13.776 -20.446 1.00 61.24 H new ATOM 0 HE1 TYR A 55 19.050 -14.267 -24.911 1.00 32.23 H new ATOM 0 HE2 TYR A 55 21.522 -15.781 -21.784 1.00 64.20 H new ATOM 0 HH TYR A 55 21.171 -16.863 -23.680 1.00 22.42 H new ATOM 856 N LYS A 56 20.681 -9.002 -20.257 1.00 22.12 N ATOM 857 CA LYS A 56 20.867 -7.895 -19.326 1.00 72.12 C ATOM 858 C LYS A 56 20.616 -6.557 -20.015 1.00 31.41 C ATOM 859 O LYS A 56 20.129 -5.612 -19.395 1.00 52.34 O ATOM 860 CB LYS A 56 22.282 -7.923 -18.744 1.00 33.34 C ATOM 861 CG LYS A 56 23.324 -7.288 -19.647 1.00 63.01 C ATOM 862 CD LYS A 56 24.731 -7.711 -19.259 1.00 20.41 C ATOM 863 CE LYS A 56 25.773 -6.745 -19.800 1.00 3.43 C ATOM 864 NZ LYS A 56 27.123 -7.369 -19.875 1.00 70.21 N ATOM 0 H LYS A 56 21.471 -9.645 -20.310 1.00 22.12 H new ATOM 0 HA LYS A 56 20.146 -8.009 -18.517 1.00 72.12 H new ATOM 0 HB2 LYS A 56 22.281 -7.406 -17.785 1.00 33.34 H new ATOM 0 HB3 LYS A 56 22.565 -8.957 -18.548 1.00 33.34 H new ATOM 0 HG2 LYS A 56 23.131 -7.571 -20.682 1.00 63.01 H new ATOM 0 HG3 LYS A 56 23.241 -6.203 -19.592 1.00 63.01 H new ATOM 0 HD2 LYS A 56 24.810 -7.762 -18.173 1.00 20.41 H new ATOM 0 HD3 LYS A 56 24.929 -8.713 -19.641 1.00 20.41 H new ATOM 0 HE2 LYS A 56 25.474 -6.407 -20.792 1.00 3.43 H new ATOM 0 HE3 LYS A 56 25.816 -5.862 -19.162 1.00 3.43 H new ATOM 0 HZ1 LYS A 56 27.805 -6.678 -20.249 1.00 70.21 H new ATOM 0 HZ2 LYS A 56 27.420 -7.669 -18.925 1.00 70.21 H new ATOM 0 HZ3 LYS A 56 27.089 -8.196 -20.504 1.00 70.21 H new ATOM 878 N TRP A 57 20.950 -6.486 -21.298 1.00 60.42 N ATOM 879 CA TRP A 57 20.759 -5.264 -22.071 1.00 21.10 C ATOM 880 C TRP A 57 19.344 -5.192 -22.635 1.00 65.21 C ATOM 881 O TRP A 57 18.854 -4.114 -22.966 1.00 55.51 O ATOM 882 CB TRP A 57 21.779 -5.191 -23.208 1.00 43.22 C ATOM 883 CG TRP A 57 21.966 -3.806 -23.751 1.00 33.04 C ATOM 884 CD1 TRP A 57 22.755 -2.821 -23.229 1.00 54.10 C ATOM 885 CD2 TRP A 57 21.349 -3.253 -24.919 1.00 23.05 C ATOM 886 NE1 TRP A 57 22.666 -1.689 -24.002 1.00 52.45 N ATOM 887 CE2 TRP A 57 21.811 -1.928 -25.045 1.00 72.25 C ATOM 888 CE3 TRP A 57 20.454 -3.748 -25.871 1.00 23.55 C ATOM 889 CZ2 TRP A 57 21.405 -1.095 -26.085 1.00 64.51 C ATOM 890 CZ3 TRP A 57 20.053 -2.921 -26.902 1.00 13.45 C ATOM 891 CH2 TRP A 57 20.528 -1.607 -27.003 1.00 5.52 C ATOM 0 H TRP A 57 21.354 -7.260 -21.825 1.00 60.42 H new ATOM 0 HA TRP A 57 20.908 -4.415 -21.404 1.00 21.10 H new ATOM 0 HB2 TRP A 57 22.738 -5.566 -22.851 1.00 43.22 H new ATOM 0 HB3 TRP A 57 21.460 -5.850 -24.015 1.00 43.22 H new ATOM 0 HD1 TRP A 57 23.360 -2.918 -22.339 1.00 54.10 H new ATOM 0 HE1 TRP A 57 23.157 -0.812 -23.827 1.00 52.45 H new ATOM 0 HE3 TRP A 57 20.082 -4.760 -25.802 1.00 23.55 H new ATOM 0 HZ2 TRP A 57 21.769 -0.081 -26.164 1.00 64.51 H new ATOM 0 HZ3 TRP A 57 19.361 -3.294 -27.643 1.00 13.45 H new ATOM 0 HH2 TRP A 57 20.196 -0.986 -27.821 1.00 5.52 H new ATOM 902 N GLU A 58 18.695 -6.347 -22.742 1.00 32.24 N ATOM 903 CA GLU A 58 17.336 -6.413 -23.267 1.00 1.12 C ATOM 904 C GLU A 58 16.314 -6.124 -22.171 1.00 25.14 C ATOM 905 O GLU A 58 15.253 -5.559 -22.430 1.00 51.43 O ATOM 906 CB GLU A 58 17.068 -7.789 -23.879 1.00 22.40 C ATOM 907 CG GLU A 58 17.530 -7.915 -25.321 1.00 41.41 C ATOM 908 CD GLU A 58 16.390 -7.786 -26.312 1.00 53.52 C ATOM 909 OE1 GLU A 58 15.292 -8.306 -26.023 1.00 72.23 O ATOM 910 OE2 GLU A 58 16.595 -7.165 -27.376 1.00 13.41 O ATOM 0 H GLU A 58 19.088 -7.249 -22.472 1.00 32.24 H new ATOM 0 HA GLU A 58 17.237 -5.653 -24.042 1.00 1.12 H new ATOM 0 HB2 GLU A 58 17.569 -8.548 -23.278 1.00 22.40 H new ATOM 0 HB3 GLU A 58 15.999 -7.997 -23.829 1.00 22.40 H new ATOM 0 HG2 GLU A 58 18.275 -7.147 -25.528 1.00 41.41 H new ATOM 0 HG3 GLU A 58 18.019 -8.879 -25.459 1.00 41.41 H new ATOM 917 N ALA A 59 16.644 -6.518 -20.945 1.00 13.44 N ATOM 918 CA ALA A 59 15.757 -6.300 -19.809 1.00 33.34 C ATOM 919 C ALA A 59 15.669 -4.819 -19.456 1.00 23.32 C ATOM 920 O ALA A 59 14.578 -4.255 -19.372 1.00 25.10 O ATOM 921 CB ALA A 59 16.231 -7.104 -18.607 1.00 44.00 C ATOM 0 H ALA A 59 17.518 -6.989 -20.714 1.00 13.44 H new ATOM 0 HA ALA A 59 14.760 -6.639 -20.089 1.00 33.34 H new ATOM 0 HB1 ALA A 59 15.559 -6.932 -17.766 1.00 44.00 H new ATOM 0 HB2 ALA A 59 16.234 -8.165 -18.857 1.00 44.00 H new ATOM 0 HB3 ALA A 59 17.240 -6.792 -18.336 1.00 44.00 H new ATOM 927 N TRP A 60 16.824 -4.196 -19.250 1.00 32.34 N ATOM 928 CA TRP A 60 16.877 -2.780 -18.905 1.00 32.03 C ATOM 929 C TRP A 60 16.284 -1.926 -20.020 1.00 4.31 C ATOM 930 O TRP A 60 15.759 -0.841 -19.771 1.00 62.50 O ATOM 931 CB TRP A 60 18.320 -2.354 -18.631 1.00 63.33 C ATOM 932 CG TRP A 60 18.426 -1.054 -17.893 1.00 65.15 C ATOM 933 CD1 TRP A 60 17.463 -0.467 -17.125 1.00 15.04 C ATOM 934 CD2 TRP A 60 19.560 -0.180 -17.857 1.00 15.40 C ATOM 935 NE1 TRP A 60 17.928 0.720 -16.612 1.00 61.02 N ATOM 936 CE2 TRP A 60 19.212 0.919 -17.046 1.00 22.41 C ATOM 937 CE3 TRP A 60 20.834 -0.218 -18.428 1.00 61.15 C ATOM 938 CZ2 TRP A 60 20.094 1.967 -16.795 1.00 73.33 C ATOM 939 CZ3 TRP A 60 21.708 0.823 -18.179 1.00 13.10 C ATOM 940 CH2 TRP A 60 21.335 1.903 -17.368 1.00 10.12 C ATOM 0 H TRP A 60 17.736 -4.649 -19.316 1.00 32.34 H new ATOM 0 HA TRP A 60 16.284 -2.629 -18.003 1.00 32.03 H new ATOM 0 HB2 TRP A 60 18.818 -3.133 -18.053 1.00 63.33 H new ATOM 0 HB3 TRP A 60 18.853 -2.270 -19.578 1.00 63.33 H new ATOM 0 HD1 TRP A 60 16.479 -0.875 -16.946 1.00 15.04 H new ATOM 0 HE1 TRP A 60 17.402 1.350 -16.006 1.00 61.02 H new ATOM 0 HE3 TRP A 60 21.131 -1.047 -19.053 1.00 61.15 H new ATOM 0 HZ2 TRP A 60 19.809 2.801 -16.170 1.00 73.33 H new ATOM 0 HZ3 TRP A 60 22.695 0.804 -18.617 1.00 13.10 H new ATOM 0 HH2 TRP A 60 22.041 2.701 -17.192 1.00 10.12 H new ATOM 951 N ASN A 61 16.372 -2.422 -21.250 1.00 4.41 N ATOM 952 CA ASN A 61 15.845 -1.702 -22.404 1.00 33.34 C ATOM 953 C ASN A 61 14.367 -2.019 -22.613 1.00 30.02 C ATOM 954 O ASN A 61 13.634 -1.238 -23.218 1.00 51.32 O ATOM 955 CB ASN A 61 16.638 -2.062 -23.662 1.00 11.14 C ATOM 956 CG ASN A 61 16.165 -1.296 -24.882 1.00 1.21 C ATOM 957 OD1 ASN A 61 16.766 -0.294 -25.271 1.00 63.43 O ATOM 958 ND2 ASN A 61 15.082 -1.764 -25.492 1.00 25.33 N ATOM 0 H ASN A 61 16.803 -3.319 -21.473 1.00 4.41 H new ATOM 0 HA ASN A 61 15.946 -0.634 -22.212 1.00 33.34 H new ATOM 0 HB2 ASN A 61 17.695 -1.855 -23.494 1.00 11.14 H new ATOM 0 HB3 ASN A 61 16.549 -3.132 -23.851 1.00 11.14 H new ATOM 0 HD21 ASN A 61 14.717 -1.290 -26.318 1.00 25.33 H new ATOM 0 HD22 ASN A 61 14.616 -2.598 -25.135 1.00 25.33 H new ATOM 965 N ALA A 62 13.937 -3.170 -22.107 1.00 32.31 N ATOM 966 CA ALA A 62 12.547 -3.589 -22.236 1.00 33.33 C ATOM 967 C ALA A 62 11.654 -2.837 -21.255 1.00 35.42 C ATOM 968 O ALA A 62 10.440 -2.746 -21.448 1.00 45.13 O ATOM 969 CB ALA A 62 12.426 -5.090 -22.019 1.00 33.43 C ATOM 0 H ALA A 62 14.531 -3.829 -21.604 1.00 32.31 H new ATOM 0 HA ALA A 62 12.214 -3.351 -23.246 1.00 33.33 H new ATOM 0 HB1 ALA A 62 11.383 -5.389 -22.118 1.00 33.43 H new ATOM 0 HB2 ALA A 62 13.026 -5.615 -22.762 1.00 33.43 H new ATOM 0 HB3 ALA A 62 12.783 -5.343 -21.021 1.00 33.43 H new ATOM 975 N LEU A 63 12.260 -2.301 -20.201 1.00 71.15 N ATOM 976 CA LEU A 63 11.519 -1.557 -19.189 1.00 31.02 C ATOM 977 C LEU A 63 11.636 -0.054 -19.423 1.00 21.32 C ATOM 978 O LEU A 63 11.468 0.743 -18.500 1.00 35.43 O ATOM 979 CB LEU A 63 12.033 -1.909 -17.792 1.00 15.34 C ATOM 980 CG LEU A 63 11.419 -3.151 -17.144 1.00 0.52 C ATOM 981 CD1 LEU A 63 11.418 -4.316 -18.120 1.00 73.52 C ATOM 982 CD2 LEU A 63 12.173 -3.517 -15.874 1.00 33.04 C ATOM 0 H LEU A 63 13.263 -2.368 -20.025 1.00 71.15 H new ATOM 0 HA LEU A 63 10.468 -1.836 -19.264 1.00 31.02 H new ATOM 0 HB2 LEU A 63 13.112 -2.049 -17.849 1.00 15.34 H new ATOM 0 HB3 LEU A 63 11.856 -1.057 -17.136 1.00 15.34 H new ATOM 0 HG LEU A 63 10.386 -2.926 -16.878 1.00 0.52 H new ATOM 0 HD11 LEU A 63 10.978 -5.191 -17.642 1.00 73.52 H new ATOM 0 HD12 LEU A 63 10.834 -4.052 -19.001 1.00 73.52 H new ATOM 0 HD13 LEU A 63 12.442 -4.542 -18.418 1.00 73.52 H new ATOM 0 HD21 LEU A 63 11.723 -4.403 -15.426 1.00 33.04 H new ATOM 0 HD22 LEU A 63 13.216 -3.723 -16.116 1.00 33.04 H new ATOM 0 HD23 LEU A 63 12.122 -2.688 -15.169 1.00 33.04 H new ATOM 994 N ARG A 64 11.924 0.325 -20.663 1.00 52.55 N ATOM 995 CA ARG A 64 12.062 1.733 -21.019 1.00 63.40 C ATOM 996 C ARG A 64 10.747 2.478 -20.811 1.00 61.22 C ATOM 997 O ARG A 64 9.682 1.999 -21.200 1.00 5.23 O ATOM 998 CB ARG A 64 12.515 1.871 -22.474 1.00 31.22 C ATOM 999 CG ARG A 64 14.017 1.733 -22.660 1.00 60.41 C ATOM 1000 CD ARG A 64 14.414 1.885 -24.120 1.00 53.21 C ATOM 1001 NE ARG A 64 13.719 0.929 -24.979 1.00 4.33 N ATOM 1002 CZ ARG A 64 12.570 1.191 -25.590 1.00 53.04 C ATOM 1003 NH1 ARG A 64 11.988 2.373 -25.439 1.00 45.12 N ATOM 1004 NH2 ARG A 64 11.999 0.269 -26.356 1.00 2.42 N ATOM 0 H ARG A 64 12.066 -0.322 -21.438 1.00 52.55 H new ATOM 0 HA ARG A 64 12.816 2.174 -20.368 1.00 63.40 H new ATOM 0 HB2 ARG A 64 12.012 1.114 -23.076 1.00 31.22 H new ATOM 0 HB3 ARG A 64 12.198 2.842 -22.854 1.00 31.22 H new ATOM 0 HG2 ARG A 64 14.529 2.487 -22.062 1.00 60.41 H new ATOM 0 HG3 ARG A 64 14.342 0.760 -22.293 1.00 60.41 H new ATOM 0 HD2 ARG A 64 14.192 2.899 -24.452 1.00 53.21 H new ATOM 0 HD3 ARG A 64 15.490 1.746 -24.219 1.00 53.21 H new ATOM 0 HE ARG A 64 14.140 0.010 -25.117 1.00 4.33 H new ATOM 0 HH11 ARG A 64 12.423 3.084 -24.852 1.00 45.12 H new ATOM 0 HH12 ARG A 64 11.105 2.571 -25.910 1.00 45.12 H new ATOM 0 HH21 ARG A 64 12.443 -0.641 -26.475 1.00 2.42 H new ATOM 0 HH22 ARG A 64 11.116 0.471 -26.825 1.00 2.42 H new ATOM 1018 N GLY A 65 10.830 3.653 -20.195 1.00 14.21 N ATOM 1019 CA GLY A 65 9.639 4.445 -19.946 1.00 4.25 C ATOM 1020 C GLY A 65 9.029 4.162 -18.587 1.00 52.33 C ATOM 1021 O GLY A 65 8.247 4.961 -18.073 1.00 11.05 O ATOM 0 H GLY A 65 11.700 4.071 -19.864 1.00 14.21 H new ATOM 0 HA2 GLY A 65 9.889 5.504 -20.015 1.00 4.25 H new ATOM 0 HA3 GLY A 65 8.901 4.240 -20.722 1.00 4.25 H new ATOM 1025 N MET A 66 9.385 3.021 -18.006 1.00 41.51 N ATOM 1026 CA MET A 66 8.866 2.635 -16.699 1.00 50.31 C ATOM 1027 C MET A 66 9.070 3.753 -15.681 1.00 61.03 C ATOM 1028 O MET A 66 9.974 4.577 -15.823 1.00 34.21 O ATOM 1029 CB MET A 66 9.549 1.356 -16.213 1.00 23.21 C ATOM 1030 CG MET A 66 8.755 0.607 -15.154 1.00 43.45 C ATOM 1031 SD MET A 66 8.812 -1.181 -15.379 1.00 13.30 S ATOM 1032 CE MET A 66 10.173 -1.615 -14.299 1.00 11.23 C ATOM 0 H MET A 66 10.030 2.348 -18.419 1.00 41.51 H new ATOM 0 HA MET A 66 7.796 2.451 -16.800 1.00 50.31 H new ATOM 0 HB2 MET A 66 9.715 0.697 -17.065 1.00 23.21 H new ATOM 0 HB3 MET A 66 10.530 1.608 -15.809 1.00 23.21 H new ATOM 0 HG2 MET A 66 9.145 0.858 -14.168 1.00 43.45 H new ATOM 0 HG3 MET A 66 7.717 0.940 -15.180 1.00 43.45 H new ATOM 0 HE1 MET A 66 10.264 -2.700 -14.247 1.00 11.23 H new ATOM 0 HE2 MET A 66 11.098 -1.192 -14.691 1.00 11.23 H new ATOM 0 HE3 MET A 66 9.987 -1.218 -13.301 1.00 11.23 H new ATOM 1042 N SER A 67 8.225 3.775 -14.656 1.00 13.12 N ATOM 1043 CA SER A 67 8.310 4.794 -13.616 1.00 42.45 C ATOM 1044 C SER A 67 9.063 4.267 -12.399 1.00 45.00 C ATOM 1045 O SER A 67 9.528 3.126 -12.387 1.00 12.42 O ATOM 1046 CB SER A 67 6.910 5.252 -13.205 1.00 14.01 C ATOM 1047 OG SER A 67 6.049 5.334 -14.328 1.00 44.20 O ATOM 0 H SER A 67 7.473 3.099 -14.523 1.00 13.12 H new ATOM 0 HA SER A 67 8.858 5.645 -14.020 1.00 42.45 H new ATOM 0 HB2 SER A 67 6.496 4.556 -12.476 1.00 14.01 H new ATOM 0 HB3 SER A 67 6.971 6.225 -12.718 1.00 14.01 H new ATOM 0 HG SER A 67 5.160 5.627 -14.038 1.00 44.20 H new ATOM 1053 N THR A 68 9.181 5.106 -11.375 1.00 4.14 N ATOM 1054 CA THR A 68 9.879 4.727 -10.152 1.00 74.13 C ATOM 1055 C THR A 68 9.071 3.713 -9.351 1.00 20.53 C ATOM 1056 O THR A 68 9.555 2.623 -9.045 1.00 0.42 O ATOM 1057 CB THR A 68 10.166 5.953 -9.266 1.00 13.43 C ATOM 1058 OG1 THR A 68 10.733 7.006 -10.054 1.00 31.30 O ATOM 1059 CG2 THR A 68 11.116 5.592 -8.134 1.00 13.42 C ATOM 0 H THR A 68 8.802 6.053 -11.368 1.00 4.14 H new ATOM 0 HA THR A 68 10.825 4.277 -10.454 1.00 74.13 H new ATOM 0 HB THR A 68 9.223 6.290 -8.835 1.00 13.43 H new ATOM 0 HG1 THR A 68 10.911 7.782 -9.483 1.00 31.30 H new ATOM 0 HG21 THR A 68 11.304 6.474 -7.522 1.00 13.42 H new ATOM 0 HG22 THR A 68 10.669 4.811 -7.519 1.00 13.42 H new ATOM 0 HG23 THR A 68 12.057 5.232 -8.550 1.00 13.42 H new ATOM 1067 N GLU A 69 7.838 4.078 -9.014 1.00 72.43 N ATOM 1068 CA GLU A 69 6.964 3.198 -8.248 1.00 33.43 C ATOM 1069 C GLU A 69 6.617 1.944 -9.046 1.00 41.55 C ATOM 1070 O GLU A 69 6.314 0.896 -8.477 1.00 5.13 O ATOM 1071 CB GLU A 69 5.682 3.934 -7.852 1.00 22.14 C ATOM 1072 CG GLU A 69 5.929 5.315 -7.269 1.00 42.30 C ATOM 1073 CD GLU A 69 5.283 6.417 -8.086 1.00 53.10 C ATOM 1074 OE1 GLU A 69 5.432 6.403 -9.326 1.00 2.04 O ATOM 1075 OE2 GLU A 69 4.627 7.294 -7.485 1.00 32.41 O ATOM 0 H GLU A 69 7.422 4.977 -9.259 1.00 72.43 H new ATOM 0 HA GLU A 69 7.496 2.897 -7.345 1.00 33.43 H new ATOM 0 HB2 GLU A 69 5.041 4.028 -8.729 1.00 22.14 H new ATOM 0 HB3 GLU A 69 5.138 3.333 -7.123 1.00 22.14 H new ATOM 0 HG2 GLU A 69 5.543 5.349 -6.250 1.00 42.30 H new ATOM 0 HG3 GLU A 69 7.003 5.494 -7.210 1.00 42.30 H new ATOM 1082 N SER A 70 6.663 2.062 -10.370 1.00 21.33 N ATOM 1083 CA SER A 70 6.350 0.940 -11.248 1.00 10.52 C ATOM 1084 C SER A 70 7.391 -0.166 -11.108 1.00 34.43 C ATOM 1085 O SER A 70 7.066 -1.351 -11.180 1.00 30.20 O ATOM 1086 CB SER A 70 6.280 1.409 -12.703 1.00 34.24 C ATOM 1087 OG SER A 70 5.971 0.332 -13.571 1.00 0.04 O ATOM 0 H SER A 70 6.914 2.922 -10.857 1.00 21.33 H new ATOM 0 HA SER A 70 5.379 0.540 -10.955 1.00 10.52 H new ATOM 0 HB2 SER A 70 5.524 2.188 -12.801 1.00 34.24 H new ATOM 0 HB3 SER A 70 7.233 1.851 -12.992 1.00 34.24 H new ATOM 0 HG SER A 70 5.621 0.683 -14.416 1.00 0.04 H new ATOM 1093 N ALA A 71 8.643 0.230 -10.907 1.00 21.31 N ATOM 1094 CA ALA A 71 9.732 -0.727 -10.755 1.00 31.45 C ATOM 1095 C ALA A 71 9.765 -1.301 -9.342 1.00 1.21 C ATOM 1096 O ALA A 71 9.826 -2.516 -9.155 1.00 63.21 O ATOM 1097 CB ALA A 71 11.063 -0.071 -11.091 1.00 54.12 C ATOM 0 H ALA A 71 8.929 1.207 -10.846 1.00 21.31 H new ATOM 0 HA ALA A 71 9.559 -1.549 -11.450 1.00 31.45 H new ATOM 0 HB1 ALA A 71 11.867 -0.798 -10.973 1.00 54.12 H new ATOM 0 HB2 ALA A 71 11.044 0.285 -12.121 1.00 54.12 H new ATOM 0 HB3 ALA A 71 11.233 0.771 -10.420 1.00 54.12 H new ATOM 1103 N LYS A 72 9.725 -0.418 -8.349 1.00 62.52 N ATOM 1104 CA LYS A 72 9.750 -0.836 -6.952 1.00 61.04 C ATOM 1105 C LYS A 72 8.594 -1.783 -6.647 1.00 63.30 C ATOM 1106 O LYS A 72 8.670 -2.591 -5.722 1.00 3.45 O ATOM 1107 CB LYS A 72 9.680 0.385 -6.032 1.00 75.15 C ATOM 1108 CG LYS A 72 10.869 1.320 -6.170 1.00 32.30 C ATOM 1109 CD LYS A 72 10.461 2.772 -5.987 1.00 74.15 C ATOM 1110 CE LYS A 72 11.021 3.351 -4.697 1.00 63.44 C ATOM 1111 NZ LYS A 72 12.201 4.224 -4.948 1.00 24.41 N ATOM 0 H LYS A 72 9.675 0.592 -8.486 1.00 62.52 H new ATOM 0 HA LYS A 72 10.686 -1.365 -6.773 1.00 61.04 H new ATOM 0 HB2 LYS A 72 8.766 0.939 -6.246 1.00 75.15 H new ATOM 0 HB3 LYS A 72 9.613 0.047 -4.998 1.00 75.15 H new ATOM 0 HG2 LYS A 72 11.626 1.058 -5.431 1.00 32.30 H new ATOM 0 HG3 LYS A 72 11.323 1.190 -7.152 1.00 32.30 H new ATOM 0 HD2 LYS A 72 10.815 3.360 -6.834 1.00 74.15 H new ATOM 0 HD3 LYS A 72 9.374 2.847 -5.979 1.00 74.15 H new ATOM 0 HE2 LYS A 72 10.246 3.925 -4.190 1.00 63.44 H new ATOM 0 HE3 LYS A 72 11.306 2.539 -4.028 1.00 63.44 H new ATOM 0 HZ1 LYS A 72 12.554 4.599 -4.044 1.00 24.41 H new ATOM 0 HZ2 LYS A 72 12.951 3.670 -5.409 1.00 24.41 H new ATOM 0 HZ3 LYS A 72 11.924 5.013 -5.566 1.00 24.41 H new ATOM 1125 N GLU A 73 7.526 -1.679 -7.432 1.00 24.30 N ATOM 1126 CA GLU A 73 6.356 -2.528 -7.244 1.00 73.14 C ATOM 1127 C GLU A 73 6.605 -3.929 -7.796 1.00 3.13 C ATOM 1128 O GLU A 73 5.918 -4.882 -7.431 1.00 71.44 O ATOM 1129 CB GLU A 73 5.135 -1.909 -7.928 1.00 34.21 C ATOM 1130 CG GLU A 73 4.330 -0.992 -7.023 1.00 1.34 C ATOM 1131 CD GLU A 73 3.537 0.043 -7.797 1.00 11.00 C ATOM 1132 OE1 GLU A 73 2.857 -0.338 -8.773 1.00 3.13 O ATOM 1133 OE2 GLU A 73 3.596 1.234 -7.426 1.00 41.23 O ATOM 0 H GLU A 73 7.447 -1.016 -8.203 1.00 24.30 H new ATOM 0 HA GLU A 73 6.164 -2.607 -6.174 1.00 73.14 H new ATOM 0 HB2 GLU A 73 5.465 -1.346 -8.801 1.00 34.21 H new ATOM 0 HB3 GLU A 73 4.488 -2.708 -8.290 1.00 34.21 H new ATOM 0 HG2 GLU A 73 3.647 -1.591 -6.420 1.00 1.34 H new ATOM 0 HG3 GLU A 73 5.005 -0.486 -6.333 1.00 1.34 H new ATOM 1140 N ALA A 74 7.594 -4.044 -8.677 1.00 34.23 N ATOM 1141 CA ALA A 74 7.936 -5.327 -9.278 1.00 34.55 C ATOM 1142 C ALA A 74 8.989 -6.057 -8.451 1.00 62.23 C ATOM 1143 O ALA A 74 9.082 -7.284 -8.490 1.00 62.31 O ATOM 1144 CB ALA A 74 8.426 -5.128 -10.704 1.00 75.42 C ATOM 0 H ALA A 74 8.172 -3.264 -8.990 1.00 34.23 H new ATOM 0 HA ALA A 74 7.037 -5.942 -9.298 1.00 34.55 H new ATOM 0 HB1 ALA A 74 8.678 -6.095 -11.140 1.00 75.42 H new ATOM 0 HB2 ALA A 74 7.642 -4.656 -11.296 1.00 75.42 H new ATOM 0 HB3 ALA A 74 9.310 -4.491 -10.699 1.00 75.42 H new ATOM 1150 N TYR A 75 9.781 -5.295 -7.705 1.00 61.22 N ATOM 1151 CA TYR A 75 10.831 -5.870 -6.872 1.00 13.41 C ATOM 1152 C TYR A 75 10.234 -6.641 -5.699 1.00 71.51 C ATOM 1153 O TYR A 75 10.868 -7.539 -5.144 1.00 70.01 O ATOM 1154 CB TYR A 75 11.759 -4.770 -6.354 1.00 14.45 C ATOM 1155 CG TYR A 75 13.164 -5.248 -6.067 1.00 31.22 C ATOM 1156 CD1 TYR A 75 13.433 -6.060 -4.972 1.00 32.20 C ATOM 1157 CD2 TYR A 75 14.223 -4.889 -6.892 1.00 11.03 C ATOM 1158 CE1 TYR A 75 14.715 -6.499 -4.706 1.00 4.00 C ATOM 1159 CE2 TYR A 75 15.508 -5.324 -6.634 1.00 65.42 C ATOM 1160 CZ TYR A 75 15.750 -6.129 -5.540 1.00 13.30 C ATOM 1161 OH TYR A 75 17.028 -6.565 -5.279 1.00 44.12 O ATOM 0 H TYR A 75 9.716 -4.278 -7.660 1.00 61.22 H new ATOM 0 HA TYR A 75 11.407 -6.564 -7.484 1.00 13.41 H new ATOM 0 HB2 TYR A 75 11.801 -3.966 -7.089 1.00 14.45 H new ATOM 0 HB3 TYR A 75 11.335 -4.348 -5.443 1.00 14.45 H new ATOM 0 HD1 TYR A 75 12.625 -6.353 -4.318 1.00 32.20 H new ATOM 0 HD2 TYR A 75 14.038 -4.259 -7.750 1.00 11.03 H new ATOM 0 HE1 TYR A 75 14.906 -7.129 -3.850 1.00 4.00 H new ATOM 0 HE2 TYR A 75 16.320 -5.035 -7.285 1.00 65.42 H new ATOM 0 HH TYR A 75 17.288 -7.234 -5.946 1.00 44.12 H new ATOM 1171 N VAL A 76 9.008 -6.285 -5.327 1.00 63.51 N ATOM 1172 CA VAL A 76 8.323 -6.945 -4.222 1.00 1.43 C ATOM 1173 C VAL A 76 7.565 -8.177 -4.702 1.00 25.43 C ATOM 1174 O VAL A 76 7.499 -9.190 -4.004 1.00 54.30 O ATOM 1175 CB VAL A 76 7.337 -5.989 -3.523 1.00 23.50 C ATOM 1176 CG1 VAL A 76 6.573 -6.718 -2.428 1.00 1.00 C ATOM 1177 CG2 VAL A 76 8.074 -4.784 -2.959 1.00 14.21 C ATOM 0 H VAL A 76 8.469 -5.544 -5.775 1.00 63.51 H new ATOM 0 HA VAL A 76 9.090 -7.249 -3.510 1.00 1.43 H new ATOM 0 HB VAL A 76 6.617 -5.633 -4.260 1.00 23.50 H new ATOM 0 HG11 VAL A 76 5.881 -6.027 -1.945 1.00 1.00 H new ATOM 0 HG12 VAL A 76 6.014 -7.546 -2.864 1.00 1.00 H new ATOM 0 HG13 VAL A 76 7.275 -7.104 -1.689 1.00 1.00 H new ATOM 0 HG21 VAL A 76 7.363 -4.119 -2.469 1.00 14.21 H new ATOM 0 HG22 VAL A 76 8.817 -5.118 -2.235 1.00 14.21 H new ATOM 0 HG23 VAL A 76 8.571 -4.250 -3.769 1.00 14.21 H new ATOM 1187 N LYS A 77 6.995 -8.086 -5.898 1.00 65.04 N ATOM 1188 CA LYS A 77 6.243 -9.194 -6.475 1.00 21.13 C ATOM 1189 C LYS A 77 7.181 -10.225 -7.094 1.00 43.35 C ATOM 1190 O LYS A 77 6.874 -11.417 -7.129 1.00 63.12 O ATOM 1191 CB LYS A 77 5.265 -8.678 -7.532 1.00 50.15 C ATOM 1192 CG LYS A 77 4.072 -7.940 -6.949 1.00 42.05 C ATOM 1193 CD LYS A 77 2.846 -8.072 -7.837 1.00 63.34 C ATOM 1194 CE LYS A 77 3.001 -7.275 -9.124 1.00 20.44 C ATOM 1195 NZ LYS A 77 1.780 -7.351 -9.973 1.00 43.11 N ATOM 0 H LYS A 77 7.039 -7.255 -6.488 1.00 65.04 H new ATOM 0 HA LYS A 77 5.682 -9.675 -5.674 1.00 21.13 H new ATOM 0 HB2 LYS A 77 5.796 -8.012 -8.212 1.00 50.15 H new ATOM 0 HB3 LYS A 77 4.907 -9.520 -8.125 1.00 50.15 H new ATOM 0 HG2 LYS A 77 3.848 -8.334 -5.958 1.00 42.05 H new ATOM 0 HG3 LYS A 77 4.320 -6.886 -6.825 1.00 42.05 H new ATOM 0 HD2 LYS A 77 2.680 -9.122 -8.076 1.00 63.34 H new ATOM 0 HD3 LYS A 77 1.965 -7.725 -7.297 1.00 63.34 H new ATOM 0 HE2 LYS A 77 3.212 -6.233 -8.883 1.00 20.44 H new ATOM 0 HE3 LYS A 77 3.857 -7.652 -9.684 1.00 20.44 H new ATOM 0 HZ1 LYS A 77 1.925 -6.796 -10.840 1.00 43.11 H new ATOM 0 HZ2 LYS A 77 1.593 -8.343 -10.224 1.00 43.11 H new ATOM 0 HZ3 LYS A 77 0.968 -6.968 -9.448 1.00 43.11 H new ATOM 1209 N LEU A 78 8.326 -9.759 -7.581 1.00 51.44 N ATOM 1210 CA LEU A 78 9.310 -10.641 -8.199 1.00 4.42 C ATOM 1211 C LEU A 78 10.151 -11.345 -7.139 1.00 2.33 C ATOM 1212 O LEU A 78 10.353 -12.559 -7.196 1.00 13.40 O ATOM 1213 CB LEU A 78 10.217 -9.846 -9.140 1.00 41.30 C ATOM 1214 CG LEU A 78 11.184 -10.667 -9.993 1.00 63.30 C ATOM 1215 CD1 LEU A 78 12.391 -11.094 -9.171 1.00 54.11 C ATOM 1216 CD2 LEU A 78 10.479 -11.882 -10.579 1.00 1.03 C ATOM 0 H LEU A 78 8.596 -8.776 -7.560 1.00 51.44 H new ATOM 0 HA LEU A 78 8.774 -11.397 -8.773 1.00 4.42 H new ATOM 0 HB2 LEU A 78 9.588 -9.256 -9.806 1.00 41.30 H new ATOM 0 HB3 LEU A 78 10.798 -9.142 -8.544 1.00 41.30 H new ATOM 0 HG LEU A 78 11.533 -10.042 -10.815 1.00 63.30 H new ATOM 0 HD11 LEU A 78 13.068 -11.677 -9.795 1.00 54.11 H new ATOM 0 HD12 LEU A 78 12.910 -10.210 -8.800 1.00 54.11 H new ATOM 0 HD13 LEU A 78 12.061 -11.701 -8.328 1.00 54.11 H new ATOM 0 HD21 LEU A 78 11.183 -12.455 -11.183 1.00 1.03 H new ATOM 0 HD22 LEU A 78 10.101 -12.508 -9.771 1.00 1.03 H new ATOM 0 HD23 LEU A 78 9.648 -11.554 -11.203 1.00 1.03 H new ATOM 1228 N LEU A 79 10.638 -10.576 -6.171 1.00 21.23 N ATOM 1229 CA LEU A 79 11.456 -11.126 -5.095 1.00 74.40 C ATOM 1230 C LEU A 79 10.747 -12.293 -4.414 1.00 53.04 C ATOM 1231 O LEU A 79 11.387 -13.154 -3.811 1.00 34.24 O ATOM 1232 CB LEU A 79 11.778 -10.041 -4.067 1.00 3.13 C ATOM 1233 CG LEU A 79 12.623 -10.480 -2.870 1.00 50.30 C ATOM 1234 CD1 LEU A 79 13.817 -11.301 -3.332 1.00 12.02 C ATOM 1235 CD2 LEU A 79 13.083 -9.270 -2.070 1.00 20.04 C ATOM 0 H LEU A 79 10.481 -9.570 -6.109 1.00 21.23 H new ATOM 0 HA LEU A 79 12.386 -11.493 -5.530 1.00 74.40 H new ATOM 0 HB2 LEU A 79 12.299 -9.230 -4.576 1.00 3.13 H new ATOM 0 HB3 LEU A 79 10.839 -9.633 -3.693 1.00 3.13 H new ATOM 0 HG LEU A 79 12.007 -11.105 -2.224 1.00 50.30 H new ATOM 0 HD11 LEU A 79 14.407 -11.604 -2.467 1.00 12.02 H new ATOM 0 HD12 LEU A 79 13.466 -12.187 -3.861 1.00 12.02 H new ATOM 0 HD13 LEU A 79 14.435 -10.701 -4.000 1.00 12.02 H new ATOM 0 HD21 LEU A 79 13.683 -9.601 -1.222 1.00 20.04 H new ATOM 0 HD22 LEU A 79 13.682 -8.619 -2.707 1.00 20.04 H new ATOM 0 HD23 LEU A 79 12.214 -8.722 -1.707 1.00 20.04 H new ATOM 1247 N ASP A 80 9.423 -12.315 -4.518 1.00 75.41 N ATOM 1248 CA ASP A 80 8.626 -13.378 -3.915 1.00 63.25 C ATOM 1249 C ASP A 80 8.990 -14.734 -4.512 1.00 20.43 C ATOM 1250 O ASP A 80 8.807 -15.774 -3.877 1.00 4.33 O ATOM 1251 CB ASP A 80 7.135 -13.103 -4.115 1.00 1.13 C ATOM 1252 CG ASP A 80 6.260 -14.056 -3.325 1.00 72.20 C ATOM 1253 OD1 ASP A 80 6.304 -14.007 -2.078 1.00 35.23 O ATOM 1254 OD2 ASP A 80 5.530 -14.851 -3.954 1.00 44.42 O ATOM 0 H ASP A 80 8.879 -11.609 -5.014 1.00 75.41 H new ATOM 0 HA ASP A 80 8.843 -13.400 -2.847 1.00 63.25 H new ATOM 0 HB2 ASP A 80 6.914 -12.078 -3.816 1.00 1.13 H new ATOM 0 HB3 ASP A 80 6.892 -13.185 -5.174 1.00 1.13 H new ATOM 1259 N THR A 81 9.505 -14.718 -5.737 1.00 42.42 N ATOM 1260 CA THR A 81 9.892 -15.945 -6.421 1.00 24.35 C ATOM 1261 C THR A 81 11.273 -16.412 -5.973 1.00 50.40 C ATOM 1262 O THR A 81 11.600 -17.596 -6.066 1.00 10.53 O ATOM 1263 CB THR A 81 9.896 -15.760 -7.950 1.00 3.13 C ATOM 1264 OG1 THR A 81 9.799 -17.033 -8.598 1.00 20.13 O ATOM 1265 CG2 THR A 81 11.161 -15.049 -8.405 1.00 44.43 C ATOM 0 H THR A 81 9.664 -13.867 -6.277 1.00 42.42 H new ATOM 0 HA THR A 81 9.152 -16.700 -6.157 1.00 24.35 H new ATOM 0 HB THR A 81 9.036 -15.148 -8.222 1.00 3.13 H new ATOM 0 HG1 THR A 81 9.801 -16.906 -9.570 1.00 20.13 H new ATOM 0 HG21 THR A 81 11.142 -14.929 -9.488 1.00 44.43 H new ATOM 0 HG22 THR A 81 11.217 -14.068 -7.933 1.00 44.43 H new ATOM 0 HG23 THR A 81 12.032 -15.639 -8.121 1.00 44.43 H new ATOM 1273 N LEU A 82 12.080 -15.475 -5.487 1.00 52.20 N ATOM 1274 CA LEU A 82 13.427 -15.790 -5.024 1.00 33.34 C ATOM 1275 C LEU A 82 13.427 -16.122 -3.535 1.00 14.22 C ATOM 1276 O LEU A 82 13.875 -17.193 -3.127 1.00 42.23 O ATOM 1277 CB LEU A 82 14.369 -14.617 -5.296 1.00 40.44 C ATOM 1278 CG LEU A 82 14.410 -14.110 -6.738 1.00 50.25 C ATOM 1279 CD1 LEU A 82 14.360 -12.590 -6.772 1.00 23.22 C ATOM 1280 CD2 LEU A 82 15.656 -14.620 -7.448 1.00 74.30 C ATOM 0 H LEU A 82 11.825 -14.491 -5.403 1.00 52.20 H new ATOM 0 HA LEU A 82 13.778 -16.664 -5.573 1.00 33.34 H new ATOM 0 HB2 LEU A 82 14.082 -13.788 -4.649 1.00 40.44 H new ATOM 0 HB3 LEU A 82 15.378 -14.912 -5.007 1.00 40.44 H new ATOM 0 HG LEU A 82 13.535 -14.494 -7.262 1.00 50.25 H new ATOM 0 HD11 LEU A 82 14.390 -12.248 -7.807 1.00 23.22 H new ATOM 0 HD12 LEU A 82 13.438 -12.246 -6.303 1.00 23.22 H new ATOM 0 HD13 LEU A 82 15.216 -12.186 -6.231 1.00 23.22 H new ATOM 0 HD21 LEU A 82 15.668 -14.249 -8.473 1.00 74.30 H new ATOM 0 HD22 LEU A 82 16.544 -14.267 -6.924 1.00 74.30 H new ATOM 0 HD23 LEU A 82 15.649 -15.710 -7.457 1.00 74.30 H new ATOM 1292 N ALA A 83 12.918 -15.196 -2.728 1.00 24.22 N ATOM 1293 CA ALA A 83 12.856 -15.392 -1.285 1.00 12.13 C ATOM 1294 C ALA A 83 11.573 -14.804 -0.706 1.00 42.01 C ATOM 1295 O ALA A 83 11.556 -13.696 -0.170 1.00 45.30 O ATOM 1296 CB ALA A 83 14.073 -14.771 -0.615 1.00 35.14 C ATOM 0 H ALA A 83 12.543 -14.303 -3.049 1.00 24.22 H new ATOM 0 HA ALA A 83 12.855 -16.464 -1.088 1.00 12.13 H new ATOM 0 HB1 ALA A 83 14.013 -14.925 0.462 1.00 35.14 H new ATOM 0 HB2 ALA A 83 14.979 -15.240 -0.999 1.00 35.14 H new ATOM 0 HB3 ALA A 83 14.100 -13.702 -0.828 1.00 35.14 H new ATOM 1302 N PRO A 84 10.472 -15.561 -0.816 1.00 72.43 N ATOM 1303 CA PRO A 84 9.164 -15.135 -0.310 1.00 11.02 C ATOM 1304 C PRO A 84 9.113 -15.109 1.214 1.00 33.30 C ATOM 1305 O PRO A 84 8.125 -14.672 1.804 1.00 32.11 O ATOM 1306 CB PRO A 84 8.208 -16.196 -0.859 1.00 75.42 C ATOM 1307 CG PRO A 84 9.057 -17.404 -1.061 1.00 12.50 C ATOM 1308 CD PRO A 84 10.418 -16.893 -1.443 1.00 44.34 C ATOM 0 HA PRO A 84 8.918 -14.119 -0.620 1.00 11.02 H new ATOM 0 HB2 PRO A 84 7.395 -16.396 -0.161 1.00 75.42 H new ATOM 0 HB3 PRO A 84 7.752 -15.872 -1.794 1.00 75.42 H new ATOM 0 HG2 PRO A 84 9.106 -18.003 -0.152 1.00 12.50 H new ATOM 0 HG3 PRO A 84 8.647 -18.043 -1.842 1.00 12.50 H new ATOM 0 HD2 PRO A 84 11.210 -17.544 -1.072 1.00 44.34 H new ATOM 0 HD3 PRO A 84 10.535 -16.833 -2.525 1.00 44.34 H new ATOM 1316 N SER A 85 10.183 -15.580 1.846 1.00 63.24 N ATOM 1317 CA SER A 85 10.259 -15.614 3.301 1.00 34.24 C ATOM 1318 C SER A 85 10.495 -14.217 3.866 1.00 55.51 C ATOM 1319 O SER A 85 10.496 -14.018 5.081 1.00 73.21 O ATOM 1320 CB SER A 85 11.377 -16.555 3.754 1.00 43.34 C ATOM 1321 OG SER A 85 10.926 -17.897 3.804 1.00 13.02 O ATOM 0 H SER A 85 11.010 -15.944 1.372 1.00 63.24 H new ATOM 0 HA SER A 85 9.307 -15.984 3.680 1.00 34.24 H new ATOM 0 HB2 SER A 85 12.221 -16.477 3.069 1.00 43.34 H new ATOM 0 HB3 SER A 85 11.735 -16.252 4.738 1.00 43.34 H new ATOM 0 HG SER A 85 11.660 -18.478 4.095 1.00 13.02 H new ATOM 1327 N TRP A 86 10.694 -13.252 2.975 1.00 10.13 N ATOM 1328 CA TRP A 86 10.931 -11.872 3.384 1.00 43.03 C ATOM 1329 C TRP A 86 9.616 -11.150 3.652 1.00 54.33 C ATOM 1330 O TRP A 86 9.561 -10.217 4.453 1.00 3.31 O ATOM 1331 CB TRP A 86 11.725 -11.129 2.308 1.00 60.34 C ATOM 1332 CG TRP A 86 10.864 -10.562 1.220 1.00 61.13 C ATOM 1333 CD1 TRP A 86 10.056 -11.258 0.367 1.00 62.42 C ATOM 1334 CD2 TRP A 86 10.727 -9.181 0.867 1.00 23.14 C ATOM 1335 NE1 TRP A 86 9.425 -10.393 -0.495 1.00 24.54 N ATOM 1336 CE2 TRP A 86 9.819 -9.113 -0.208 1.00 25.44 C ATOM 1337 CE3 TRP A 86 11.281 -7.995 1.357 1.00 65.25 C ATOM 1338 CZ2 TRP A 86 9.457 -7.907 -0.800 1.00 55.20 C ATOM 1339 CZ3 TRP A 86 10.920 -6.799 0.767 1.00 5.42 C ATOM 1340 CH2 TRP A 86 10.015 -6.761 -0.301 1.00 75.31 C ATOM 0 H TRP A 86 10.696 -13.399 1.966 1.00 10.13 H new ATOM 0 HA TRP A 86 11.510 -11.887 4.307 1.00 43.03 H new ATOM 0 HB2 TRP A 86 12.288 -10.321 2.775 1.00 60.34 H new ATOM 0 HB3 TRP A 86 12.453 -11.811 1.868 1.00 60.34 H new ATOM 0 HD1 TRP A 86 9.931 -12.331 0.369 1.00 62.42 H new ATOM 0 HE1 TRP A 86 8.770 -10.661 -1.229 1.00 24.54 H new ATOM 0 HE3 TRP A 86 11.978 -8.013 2.182 1.00 65.25 H new ATOM 0 HZ2 TRP A 86 8.760 -7.876 -1.624 1.00 55.20 H new ATOM 0 HZ3 TRP A 86 11.343 -5.877 1.136 1.00 5.42 H new ATOM 0 HH2 TRP A 86 9.752 -5.809 -0.739 1.00 75.31 H new ATOM 1351 N ARG A 87 8.557 -11.587 2.977 1.00 44.31 N ATOM 1352 CA ARG A 87 7.242 -10.980 3.142 1.00 31.24 C ATOM 1353 C ARG A 87 6.467 -11.662 4.266 1.00 13.43 C ATOM 1354 O ARG A 87 5.643 -11.037 4.933 1.00 2.51 O ATOM 1355 CB ARG A 87 6.449 -11.066 1.837 1.00 63.12 C ATOM 1356 CG ARG A 87 6.307 -12.482 1.303 1.00 41.04 C ATOM 1357 CD ARG A 87 5.201 -12.577 0.264 1.00 54.02 C ATOM 1358 NE ARG A 87 5.416 -11.658 -0.851 1.00 12.04 N ATOM 1359 CZ ARG A 87 4.506 -11.413 -1.787 1.00 41.21 C ATOM 1360 NH1 ARG A 87 3.326 -12.015 -1.743 1.00 53.11 N ATOM 1361 NH2 ARG A 87 4.776 -10.563 -2.770 1.00 23.30 N ATOM 0 H ARG A 87 8.585 -12.359 2.311 1.00 44.31 H new ATOM 0 HA ARG A 87 7.384 -9.932 3.404 1.00 31.24 H new ATOM 0 HB2 ARG A 87 5.456 -10.646 1.997 1.00 63.12 H new ATOM 0 HB3 ARG A 87 6.939 -10.450 1.083 1.00 63.12 H new ATOM 0 HG2 ARG A 87 7.251 -12.802 0.862 1.00 41.04 H new ATOM 0 HG3 ARG A 87 6.093 -13.163 2.127 1.00 41.04 H new ATOM 0 HD2 ARG A 87 5.145 -13.598 -0.114 1.00 54.02 H new ATOM 0 HD3 ARG A 87 4.242 -12.358 0.734 1.00 54.02 H new ATOM 0 HE ARG A 87 6.314 -11.178 -0.914 1.00 12.04 H new ATOM 0 HH11 ARG A 87 3.115 -12.668 -0.989 1.00 53.11 H new ATOM 0 HH12 ARG A 87 2.629 -11.825 -2.463 1.00 53.11 H new ATOM 0 HH21 ARG A 87 5.683 -10.097 -2.807 1.00 23.30 H new ATOM 0 HH22 ARG A 87 4.077 -10.375 -3.488 1.00 23.30 H new ATOM 1375 N ASN A 88 6.736 -12.947 4.469 1.00 23.15 N ATOM 1376 CA ASN A 88 6.063 -13.714 5.512 1.00 43.33 C ATOM 1377 C ASN A 88 7.067 -14.527 6.323 1.00 4.11 C ATOM 1378 O ASN A 88 6.702 -15.196 7.290 1.00 43.25 O ATOM 1379 CB ASN A 88 5.017 -14.644 4.895 1.00 51.25 C ATOM 1380 CG ASN A 88 5.607 -15.973 4.464 1.00 33.15 C ATOM 1381 OD1 ASN A 88 5.498 -16.972 5.176 1.00 62.14 O ATOM 1382 ND2 ASN A 88 6.236 -15.990 3.295 1.00 34.50 N ATOM 0 H ASN A 88 7.415 -13.480 3.925 1.00 23.15 H new ATOM 0 HA ASN A 88 5.566 -13.012 6.181 1.00 43.33 H new ATOM 0 HB2 ASN A 88 4.220 -14.821 5.618 1.00 51.25 H new ATOM 0 HB3 ASN A 88 4.563 -14.155 4.033 1.00 51.25 H new ATOM 0 HD21 ASN A 88 6.654 -16.856 2.953 1.00 34.50 H new ATOM 0 HD22 ASN A 88 6.302 -15.138 2.739 1.00 34.50 H new