USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 74 CYS SG : rot -125:sc= 1.12 USER MOD Set 1.2: A 79 HIS : no HE2:sc= 0.765 K(o=1.9,f=-4!) USER MOD Set 2.1: A 64 LYS NZ :NH3+ 150:sc= 0.903 (180deg=0) USER MOD Set 2.2: A 73 THR OG1 : rot 18:sc= 0.707 USER MOD Set 3.1: A 47 SER OG : rot 90:sc= 0.0527 USER MOD Set 3.2: A 52 ASN : amide:sc= 0 K(o=0.053,f=-0.55) USER MOD Set 4.1: A 3 SER OG : rot 180:sc=-0.000354 USER MOD Set 4.2: A 5 SER OG : rot 180:sc=0.000854 USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.026 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -150:sc= 0.624 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0606 K(o=-0.061,f=-0.84) USER MOD Single : A 17 LYS NZ :NH3+ 134:sc= 1.38 (180deg=0.755) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= 0.733 (180deg=0.613) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0389 X(o=-0.039,f=-0.038) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0519 X(o=-0.052,f=-0.44) USER MOD Single : A 33 THR OG1 : rot -76:sc= 0.162 USER MOD Single : A 34 ASN : amide:sc= 0.166 K(o=0.17,f=-2.6) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 1.33 (180deg=1.33) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.984 K(o=0.98,f=-5.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.016 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.18) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.516 29.363 15.897 1.00 0.00 N ATOM 2 CA GLY A 1 21.688 28.320 15.252 1.00 0.00 C ATOM 3 C GLY A 1 22.530 27.378 14.406 1.00 0.00 C ATOM 4 O GLY A 1 23.698 27.131 14.716 1.00 0.00 O ATOM 0 H1 GLY A 1 22.211 29.487 16.884 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.515 29.075 15.877 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.404 30.261 15.385 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.160 27.750 16.016 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.930 28.792 14.627 1.00 0.00 H new ATOM 10 N SER A 2 21.947 26.838 13.332 1.00 0.00 N ATOM 11 CA SER A 2 22.606 25.896 12.406 1.00 0.00 C ATOM 12 C SER A 2 23.752 26.537 11.605 1.00 0.00 C ATOM 13 O SER A 2 23.747 27.742 11.335 1.00 0.00 O ATOM 14 CB SER A 2 21.582 25.301 11.431 1.00 0.00 C ATOM 15 OG SER A 2 20.519 24.678 12.140 1.00 0.00 O ATOM 0 H SER A 2 20.983 27.044 13.071 1.00 0.00 H new ATOM 0 HA SER A 2 23.039 25.112 13.028 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.186 26.086 10.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.070 24.573 10.783 1.00 0.00 H new ATOM 0 HG SER A 2 19.875 24.306 11.502 1.00 0.00 H new ATOM 21 N SER A 3 24.719 25.715 11.192 1.00 0.00 N ATOM 22 CA SER A 3 25.867 26.084 10.350 1.00 0.00 C ATOM 23 C SER A 3 25.718 25.544 8.919 1.00 0.00 C ATOM 24 O SER A 3 24.872 24.686 8.648 1.00 0.00 O ATOM 25 CB SER A 3 27.151 25.559 11.009 1.00 0.00 C ATOM 26 OG SER A 3 28.300 26.081 10.360 1.00 0.00 O ATOM 0 H SER A 3 24.727 24.727 11.445 1.00 0.00 H new ATOM 0 HA SER A 3 25.915 27.170 10.269 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.165 25.838 12.063 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.167 24.470 10.967 1.00 0.00 H new ATOM 0 HG SER A 3 29.107 25.736 10.796 1.00 0.00 H new ATOM 32 N GLY A 4 26.569 25.993 7.990 1.00 0.00 N ATOM 33 CA GLY A 4 26.657 25.445 6.627 1.00 0.00 C ATOM 34 C GLY A 4 27.082 23.964 6.575 1.00 0.00 C ATOM 35 O GLY A 4 26.826 23.283 5.580 1.00 0.00 O ATOM 0 H GLY A 4 27.224 26.755 8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.688 25.552 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.369 26.038 6.053 1.00 0.00 H new ATOM 39 N SER A 5 27.682 23.452 7.656 1.00 0.00 N ATOM 40 CA SER A 5 28.047 22.040 7.854 1.00 0.00 C ATOM 41 C SER A 5 26.963 21.190 8.543 1.00 0.00 C ATOM 42 O SER A 5 27.108 19.966 8.626 1.00 0.00 O ATOM 43 CB SER A 5 29.360 21.968 8.643 1.00 0.00 C ATOM 44 OG SER A 5 29.230 22.630 9.895 1.00 0.00 O ATOM 0 H SER A 5 27.939 24.034 8.453 1.00 0.00 H new ATOM 0 HA SER A 5 28.162 21.607 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 5 29.637 20.926 8.804 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.163 22.426 8.065 1.00 0.00 H new ATOM 0 HG SER A 5 30.077 22.572 10.385 1.00 0.00 H new ATOM 50 N SER A 6 25.874 21.798 9.031 1.00 0.00 N ATOM 51 CA SER A 6 24.767 21.101 9.711 1.00 0.00 C ATOM 52 C SER A 6 23.870 20.316 8.739 1.00 0.00 C ATOM 53 O SER A 6 23.759 20.653 7.555 1.00 0.00 O ATOM 54 CB SER A 6 23.910 22.090 10.516 1.00 0.00 C ATOM 55 OG SER A 6 24.689 22.787 11.480 1.00 0.00 O ATOM 0 H SER A 6 25.732 22.806 8.965 1.00 0.00 H new ATOM 0 HA SER A 6 25.230 20.382 10.387 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.443 22.804 9.838 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.105 21.552 11.017 1.00 0.00 H new ATOM 0 HG SER A 6 24.127 23.018 12.249 1.00 0.00 H new ATOM 61 N GLY A 7 23.190 19.281 9.247 1.00 0.00 N ATOM 62 CA GLY A 7 22.307 18.405 8.462 1.00 0.00 C ATOM 63 C GLY A 7 23.053 17.409 7.557 1.00 0.00 C ATOM 64 O GLY A 7 24.256 17.178 7.711 1.00 0.00 O ATOM 0 H GLY A 7 23.238 19.023 10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.665 17.848 9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.656 19.023 7.844 1.00 0.00 H new ATOM 68 N LYS A 8 22.318 16.796 6.617 1.00 0.00 N ATOM 69 CA LYS A 8 22.809 15.769 5.677 1.00 0.00 C ATOM 70 C LYS A 8 22.165 15.905 4.291 1.00 0.00 C ATOM 71 O LYS A 8 21.124 16.549 4.139 1.00 0.00 O ATOM 72 CB LYS A 8 22.589 14.382 6.325 1.00 0.00 C ATOM 73 CG LYS A 8 23.243 13.211 5.568 1.00 0.00 C ATOM 74 CD LYS A 8 23.254 11.903 6.372 1.00 0.00 C ATOM 75 CE LYS A 8 24.250 11.950 7.541 1.00 0.00 C ATOM 76 NZ LYS A 8 24.300 10.657 8.272 1.00 0.00 N ATOM 0 H LYS A 8 21.329 17.007 6.483 1.00 0.00 H new ATOM 0 HA LYS A 8 23.875 15.903 5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.981 14.404 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.518 14.196 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.710 13.050 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.267 13.480 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.253 11.706 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.510 11.074 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 8 25.243 12.193 7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.966 12.746 8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.982 10.726 9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.358 10.437 8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.595 9.901 7.621 1.00 0.00 H new ATOM 90 N ILE A 9 22.819 15.330 3.281 1.00 0.00 N ATOM 91 CA ILE A 9 22.431 15.320 1.861 1.00 0.00 C ATOM 92 C ILE A 9 22.667 13.903 1.307 1.00 0.00 C ATOM 93 O ILE A 9 23.647 13.250 1.677 1.00 0.00 O ATOM 94 CB ILE A 9 23.235 16.384 1.067 1.00 0.00 C ATOM 95 CG1 ILE A 9 23.102 17.794 1.695 1.00 0.00 C ATOM 96 CG2 ILE A 9 22.790 16.401 -0.404 1.00 0.00 C ATOM 97 CD1 ILE A 9 23.975 18.873 1.047 1.00 0.00 C ATOM 0 H ILE A 9 23.691 14.825 3.438 1.00 0.00 H new ATOM 0 HA ILE A 9 21.377 15.577 1.756 1.00 0.00 H new ATOM 0 HB ILE A 9 24.288 16.106 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.059 18.106 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.355 17.730 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 9 23.362 17.152 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 9 22.963 15.421 -0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 9 21.729 16.643 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 9 23.814 19.824 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 9 25.024 18.591 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 9 23.709 18.973 -0.005 1.00 0.00 H new ATOM 109 N PHE A 10 21.783 13.426 0.427 1.00 0.00 N ATOM 110 CA PHE A 10 21.799 12.066 -0.126 1.00 0.00 C ATOM 111 C PHE A 10 21.928 12.101 -1.657 1.00 0.00 C ATOM 112 O PHE A 10 21.247 12.888 -2.312 1.00 0.00 O ATOM 113 CB PHE A 10 20.532 11.330 0.339 1.00 0.00 C ATOM 114 CG PHE A 10 20.420 11.186 1.847 1.00 0.00 C ATOM 115 CD1 PHE A 10 19.831 12.211 2.614 1.00 0.00 C ATOM 116 CD2 PHE A 10 20.930 10.042 2.487 1.00 0.00 C ATOM 117 CE1 PHE A 10 19.748 12.090 4.013 1.00 0.00 C ATOM 118 CE2 PHE A 10 20.846 9.920 3.886 1.00 0.00 C ATOM 119 CZ PHE A 10 20.249 10.940 4.648 1.00 0.00 C ATOM 0 H PHE A 10 21.013 13.991 0.068 1.00 0.00 H new ATOM 0 HA PHE A 10 22.669 11.521 0.241 1.00 0.00 H new ATOM 0 HB2 PHE A 10 19.657 11.865 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 10 20.514 10.338 -0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 10 19.442 13.092 2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 10 21.387 9.256 1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 10 19.300 12.879 4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 10 21.241 9.042 4.375 1.00 0.00 H new ATOM 0 HZ PHE A 10 20.175 10.840 5.721 1.00 0.00 H new ATOM 129 N THR A 11 22.782 11.255 -2.242 1.00 0.00 N ATOM 130 CA THR A 11 23.153 11.330 -3.669 1.00 0.00 C ATOM 131 C THR A 11 23.136 9.952 -4.339 1.00 0.00 C ATOM 132 O THR A 11 23.680 8.985 -3.799 1.00 0.00 O ATOM 133 CB THR A 11 24.540 11.981 -3.821 1.00 0.00 C ATOM 134 OG1 THR A 11 24.586 13.220 -3.140 1.00 0.00 O ATOM 135 CG2 THR A 11 24.901 12.272 -5.274 1.00 0.00 C ATOM 0 H THR A 11 23.240 10.494 -1.741 1.00 0.00 H new ATOM 0 HA THR A 11 22.407 11.946 -4.172 1.00 0.00 H new ATOM 0 HB THR A 11 25.245 11.262 -3.405 1.00 0.00 H new ATOM 0 HG1 THR A 11 25.475 13.619 -3.246 1.00 0.00 H new ATOM 0 HG21 THR A 11 25.889 12.730 -5.319 1.00 0.00 H new ATOM 0 HG22 THR A 11 24.907 11.341 -5.841 1.00 0.00 H new ATOM 0 HG23 THR A 11 24.166 12.953 -5.702 1.00 0.00 H new ATOM 143 N CYS A 12 22.543 9.870 -5.535 1.00 0.00 N ATOM 144 CA CYS A 12 22.514 8.679 -6.381 1.00 0.00 C ATOM 145 C CYS A 12 23.877 8.446 -7.058 1.00 0.00 C ATOM 146 O CYS A 12 24.423 9.332 -7.720 1.00 0.00 O ATOM 147 CB CYS A 12 21.372 8.848 -7.389 1.00 0.00 C ATOM 148 SG CYS A 12 21.282 7.406 -8.488 1.00 0.00 S ATOM 0 H CYS A 12 22.053 10.661 -5.953 1.00 0.00 H new ATOM 0 HA CYS A 12 22.330 7.786 -5.783 1.00 0.00 H new ATOM 0 HB2 CYS A 12 20.427 8.970 -6.860 1.00 0.00 H new ATOM 0 HB3 CYS A 12 21.528 9.753 -7.977 1.00 0.00 H new ATOM 153 N GLU A 13 24.421 7.237 -6.918 1.00 0.00 N ATOM 154 CA GLU A 13 25.687 6.833 -7.546 1.00 0.00 C ATOM 155 C GLU A 13 25.538 6.413 -9.024 1.00 0.00 C ATOM 156 O GLU A 13 26.544 6.214 -9.711 1.00 0.00 O ATOM 157 CB GLU A 13 26.374 5.748 -6.697 1.00 0.00 C ATOM 158 CG GLU A 13 25.628 4.405 -6.670 1.00 0.00 C ATOM 159 CD GLU A 13 26.367 3.391 -5.778 1.00 0.00 C ATOM 160 OE1 GLU A 13 27.331 2.739 -6.253 1.00 0.00 O ATOM 161 OE2 GLU A 13 25.998 3.240 -4.587 1.00 0.00 O ATOM 0 H GLU A 13 23.993 6.499 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 13 26.329 7.714 -7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 13 27.381 5.584 -7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 13 26.479 6.114 -5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 13 24.614 4.554 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 13 25.541 4.011 -7.683 1.00 0.00 H new ATOM 168 N TYR A 14 24.301 6.288 -9.523 1.00 0.00 N ATOM 169 CA TYR A 14 23.997 5.787 -10.870 1.00 0.00 C ATOM 170 C TYR A 14 23.630 6.894 -11.875 1.00 0.00 C ATOM 171 O TYR A 14 23.927 6.748 -13.065 1.00 0.00 O ATOM 172 CB TYR A 14 22.865 4.755 -10.777 1.00 0.00 C ATOM 173 CG TYR A 14 23.158 3.539 -9.919 1.00 0.00 C ATOM 174 CD1 TYR A 14 23.860 2.446 -10.464 1.00 0.00 C ATOM 175 CD2 TYR A 14 22.709 3.491 -8.583 1.00 0.00 C ATOM 176 CE1 TYR A 14 24.113 1.305 -9.677 1.00 0.00 C ATOM 177 CE2 TYR A 14 22.962 2.352 -7.794 1.00 0.00 C ATOM 178 CZ TYR A 14 23.664 1.256 -8.339 1.00 0.00 C ATOM 179 OH TYR A 14 23.912 0.148 -7.586 1.00 0.00 O ATOM 0 H TYR A 14 23.467 6.537 -8.991 1.00 0.00 H new ATOM 0 HA TYR A 14 24.908 5.328 -11.255 1.00 0.00 H new ATOM 0 HB2 TYR A 14 21.977 5.250 -10.384 1.00 0.00 H new ATOM 0 HB3 TYR A 14 22.622 4.417 -11.784 1.00 0.00 H new ATOM 0 HD1 TYR A 14 24.205 2.483 -11.487 1.00 0.00 H new ATOM 0 HD2 TYR A 14 22.171 4.328 -8.164 1.00 0.00 H new ATOM 0 HE1 TYR A 14 24.650 0.468 -10.097 1.00 0.00 H new ATOM 0 HE2 TYR A 14 22.618 2.317 -6.771 1.00 0.00 H new ATOM 0 HH TYR A 14 23.539 0.272 -6.688 1.00 0.00 H new ATOM 189 N CYS A 15 23.009 7.993 -11.418 1.00 0.00 N ATOM 190 CA CYS A 15 22.616 9.142 -12.254 1.00 0.00 C ATOM 191 C CYS A 15 22.968 10.536 -11.671 1.00 0.00 C ATOM 192 O CYS A 15 22.576 11.564 -12.231 1.00 0.00 O ATOM 193 CB CYS A 15 21.146 8.994 -12.684 1.00 0.00 C ATOM 194 SG CYS A 15 19.996 9.165 -11.304 1.00 0.00 S ATOM 0 H CYS A 15 22.760 8.112 -10.436 1.00 0.00 H new ATOM 0 HA CYS A 15 23.239 9.111 -13.148 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.915 9.745 -13.439 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.005 8.019 -13.151 1.00 0.00 H new ATOM 199 N ASN A 16 23.745 10.580 -10.578 1.00 0.00 N ATOM 200 CA ASN A 16 24.268 11.794 -9.927 1.00 0.00 C ATOM 201 C ASN A 16 23.198 12.808 -9.444 1.00 0.00 C ATOM 202 O ASN A 16 23.491 13.990 -9.239 1.00 0.00 O ATOM 203 CB ASN A 16 25.387 12.400 -10.802 1.00 0.00 C ATOM 204 CG ASN A 16 26.317 13.347 -10.052 1.00 0.00 C ATOM 205 OD1 ASN A 16 26.536 13.250 -8.852 1.00 0.00 O ATOM 206 ND2 ASN A 16 26.941 14.272 -10.748 1.00 0.00 N ATOM 0 H ASN A 16 24.041 9.729 -10.100 1.00 0.00 H new ATOM 0 HA ASN A 16 24.705 11.491 -8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 16 25.978 11.590 -11.230 1.00 0.00 H new ATOM 0 HB3 ASN A 16 24.932 12.937 -11.634 1.00 0.00 H new ATOM 0 HD21 ASN A 16 27.600 14.899 -10.287 1.00 0.00 H new ATOM 0 HD22 ASN A 16 26.766 14.362 -11.749 1.00 0.00 H new ATOM 213 N LYS A 17 21.949 12.359 -9.250 1.00 0.00 N ATOM 214 CA LYS A 17 20.862 13.145 -8.643 1.00 0.00 C ATOM 215 C LYS A 17 21.051 13.307 -7.135 1.00 0.00 C ATOM 216 O LYS A 17 21.614 12.433 -6.475 1.00 0.00 O ATOM 217 CB LYS A 17 19.507 12.488 -8.933 1.00 0.00 C ATOM 218 CG LYS A 17 19.074 12.680 -10.387 1.00 0.00 C ATOM 219 CD LYS A 17 17.762 11.915 -10.618 1.00 0.00 C ATOM 220 CE LYS A 17 17.337 11.844 -12.087 1.00 0.00 C ATOM 221 NZ LYS A 17 18.383 11.224 -12.946 1.00 0.00 N ATOM 0 H LYS A 17 21.659 11.418 -9.516 1.00 0.00 H new ATOM 0 HA LYS A 17 20.887 14.139 -9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.566 11.423 -8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.751 12.910 -8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.936 13.739 -10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 17 19.848 12.315 -11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.871 10.902 -10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.968 12.392 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.414 11.269 -12.169 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.120 12.849 -12.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 17.943 10.526 -13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 18.848 11.961 -13.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 19.089 10.752 -12.346 1.00 0.00 H new ATOM 235 N VAL A 18 20.535 14.410 -6.599 1.00 0.00 N ATOM 236 CA VAL A 18 20.644 14.796 -5.180 1.00 0.00 C ATOM 237 C VAL A 18 19.254 14.911 -4.539 1.00 0.00 C ATOM 238 O VAL A 18 18.322 15.448 -5.140 1.00 0.00 O ATOM 239 CB VAL A 18 21.461 16.097 -5.022 1.00 0.00 C ATOM 240 CG1 VAL A 18 21.655 16.468 -3.547 1.00 0.00 C ATOM 241 CG2 VAL A 18 22.863 15.963 -5.633 1.00 0.00 C ATOM 0 H VAL A 18 20.010 15.088 -7.152 1.00 0.00 H new ATOM 0 HA VAL A 18 21.183 14.011 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 18 20.889 16.867 -5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.234 17.389 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 18 20.682 16.615 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 18 22.187 15.665 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 18 23.408 16.898 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 18 23.401 15.157 -5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 18 22.777 15.739 -6.696 1.00 0.00 H new ATOM 251 N PHE A 19 19.131 14.409 -3.309 1.00 0.00 N ATOM 252 CA PHE A 19 17.896 14.264 -2.537 1.00 0.00 C ATOM 253 C PHE A 19 18.092 14.734 -1.083 1.00 0.00 C ATOM 254 O PHE A 19 19.185 14.622 -0.516 1.00 0.00 O ATOM 255 CB PHE A 19 17.440 12.793 -2.582 1.00 0.00 C ATOM 256 CG PHE A 19 17.234 12.239 -3.984 1.00 0.00 C ATOM 257 CD1 PHE A 19 16.008 12.430 -4.649 1.00 0.00 C ATOM 258 CD2 PHE A 19 18.284 11.571 -4.641 1.00 0.00 C ATOM 259 CE1 PHE A 19 15.843 11.978 -5.972 1.00 0.00 C ATOM 260 CE2 PHE A 19 18.118 11.118 -5.962 1.00 0.00 C ATOM 261 CZ PHE A 19 16.903 11.334 -6.636 1.00 0.00 C ATOM 0 H PHE A 19 19.943 14.071 -2.793 1.00 0.00 H new ATOM 0 HA PHE A 19 17.124 14.894 -2.980 1.00 0.00 H new ATOM 0 HB2 PHE A 19 18.181 12.180 -2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 19 16.507 12.698 -2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.192 12.924 -4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 19 19.220 11.406 -4.129 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.901 12.126 -6.478 1.00 0.00 H new ATOM 0 HE2 PHE A 19 18.926 10.603 -6.460 1.00 0.00 H new ATOM 0 HZ PHE A 19 16.784 11.007 -7.658 1.00 0.00 H new ATOM 271 N LYS A 20 17.024 15.251 -0.459 1.00 0.00 N ATOM 272 CA LYS A 20 17.072 15.817 0.903 1.00 0.00 C ATOM 273 C LYS A 20 17.033 14.751 2.010 1.00 0.00 C ATOM 274 O LYS A 20 17.580 14.979 3.087 1.00 0.00 O ATOM 275 CB LYS A 20 15.933 16.846 1.044 1.00 0.00 C ATOM 276 CG LYS A 20 15.895 17.669 2.348 1.00 0.00 C ATOM 277 CD LYS A 20 17.097 18.601 2.595 1.00 0.00 C ATOM 278 CE LYS A 20 18.262 17.888 3.293 1.00 0.00 C ATOM 279 NZ LYS A 20 19.398 18.798 3.582 1.00 0.00 N ATOM 0 H LYS A 20 16.097 15.290 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 20 18.034 16.311 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.997 17.540 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.984 16.318 0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.987 18.272 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.818 16.978 3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.441 19.005 1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.777 19.447 3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.908 17.448 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.609 17.067 2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.233 18.238 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.614 19.363 2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.144 19.432 4.366 1.00 0.00 H new ATOM 293 N PHE A 21 16.429 13.590 1.750 1.00 0.00 N ATOM 294 CA PHE A 21 16.198 12.541 2.752 1.00 0.00 C ATOM 295 C PHE A 21 16.618 11.146 2.269 1.00 0.00 C ATOM 296 O PHE A 21 16.591 10.845 1.071 1.00 0.00 O ATOM 297 CB PHE A 21 14.719 12.542 3.167 1.00 0.00 C ATOM 298 CG PHE A 21 14.183 13.882 3.635 1.00 0.00 C ATOM 299 CD1 PHE A 21 14.515 14.370 4.914 1.00 0.00 C ATOM 300 CD2 PHE A 21 13.356 14.649 2.791 1.00 0.00 C ATOM 301 CE1 PHE A 21 14.020 15.613 5.348 1.00 0.00 C ATOM 302 CE2 PHE A 21 12.860 15.892 3.224 1.00 0.00 C ATOM 303 CZ PHE A 21 13.191 16.374 4.503 1.00 0.00 C ATOM 0 H PHE A 21 16.080 13.346 0.823 1.00 0.00 H new ATOM 0 HA PHE A 21 16.827 12.771 3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 21 14.120 12.204 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.581 11.814 3.966 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.152 13.788 5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.102 14.281 1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.276 15.983 6.330 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.225 16.476 2.574 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.809 17.328 4.837 1.00 0.00 H new ATOM 313 N LYS A 22 16.940 10.265 3.225 1.00 0.00 N ATOM 314 CA LYS A 22 17.334 8.868 2.972 1.00 0.00 C ATOM 315 C LYS A 22 16.231 8.082 2.261 1.00 0.00 C ATOM 316 O LYS A 22 16.511 7.364 1.304 1.00 0.00 O ATOM 317 CB LYS A 22 17.721 8.216 4.313 1.00 0.00 C ATOM 318 CG LYS A 22 18.486 6.899 4.121 1.00 0.00 C ATOM 319 CD LYS A 22 18.914 6.324 5.480 1.00 0.00 C ATOM 320 CE LYS A 22 19.752 5.057 5.279 1.00 0.00 C ATOM 321 NZ LYS A 22 20.161 4.461 6.579 1.00 0.00 N ATOM 0 H LYS A 22 16.935 10.506 4.216 1.00 0.00 H new ATOM 0 HA LYS A 22 18.192 8.855 2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 22 18.335 8.910 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.820 8.028 4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.858 6.179 3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.364 7.069 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 22 19.491 7.066 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.033 6.095 6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 22 19.178 4.327 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.639 5.296 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 20.726 3.605 6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.729 5.149 7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.314 4.211 7.128 1.00 0.00 H new ATOM 335 N HIS A 23 14.974 8.270 2.672 1.00 0.00 N ATOM 336 CA HIS A 23 13.815 7.616 2.055 1.00 0.00 C ATOM 337 C HIS A 23 13.567 8.082 0.610 1.00 0.00 C ATOM 338 O HIS A 23 13.170 7.273 -0.229 1.00 0.00 O ATOM 339 CB HIS A 23 12.577 7.787 2.951 1.00 0.00 C ATOM 340 CG HIS A 23 12.154 9.213 3.222 1.00 0.00 C ATOM 341 ND1 HIS A 23 12.347 9.911 4.396 1.00 0.00 N ATOM 342 CD2 HIS A 23 11.429 10.025 2.390 1.00 0.00 C ATOM 343 CE1 HIS A 23 11.758 11.113 4.272 1.00 0.00 C ATOM 344 NE2 HIS A 23 11.185 11.231 3.061 1.00 0.00 N ATOM 0 H HIS A 23 14.729 8.885 3.448 1.00 0.00 H new ATOM 0 HA HIS A 23 14.033 6.551 1.976 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.741 7.262 2.488 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.772 7.298 3.905 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.102 9.779 1.391 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.747 11.876 5.036 1.00 0.00 H new ATOM 0 HE2 HIS A 23 10.674 12.038 2.702 1.00 0.00 H new ATOM 352 N SER A 24 13.867 9.345 0.283 1.00 0.00 N ATOM 353 CA SER A 24 13.769 9.878 -1.085 1.00 0.00 C ATOM 354 C SER A 24 14.781 9.207 -2.021 1.00 0.00 C ATOM 355 O SER A 24 14.407 8.748 -3.099 1.00 0.00 O ATOM 356 CB SER A 24 13.989 11.397 -1.096 1.00 0.00 C ATOM 357 OG SER A 24 13.095 12.058 -0.218 1.00 0.00 O ATOM 0 H SER A 24 14.187 10.033 0.965 1.00 0.00 H new ATOM 0 HA SER A 24 12.764 9.659 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 24 15.016 11.619 -0.806 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.854 11.778 -2.108 1.00 0.00 H new ATOM 0 HG SER A 24 13.262 13.023 -0.247 1.00 0.00 H new ATOM 363 N LEU A 25 16.043 9.066 -1.586 1.00 0.00 N ATOM 364 CA LEU A 25 17.057 8.322 -2.339 1.00 0.00 C ATOM 365 C LEU A 25 16.724 6.822 -2.425 1.00 0.00 C ATOM 366 O LEU A 25 16.809 6.249 -3.506 1.00 0.00 O ATOM 367 CB LEU A 25 18.453 8.575 -1.738 1.00 0.00 C ATOM 368 CG LEU A 25 19.575 7.764 -2.422 1.00 0.00 C ATOM 369 CD1 LEU A 25 19.733 8.093 -3.908 1.00 0.00 C ATOM 370 CD2 LEU A 25 20.920 8.027 -1.750 1.00 0.00 C ATOM 0 H LEU A 25 16.384 9.462 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 25 17.060 8.689 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.685 9.637 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.433 8.328 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 25 19.280 6.720 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.537 7.490 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.802 7.873 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.973 9.150 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.696 7.445 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 25 21.161 9.088 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.866 7.736 -0.701 1.00 0.00 H new ATOM 382 N GLN A 26 16.298 6.178 -1.334 1.00 0.00 N ATOM 383 CA GLN A 26 15.937 4.751 -1.338 1.00 0.00 C ATOM 384 C GLN A 26 14.769 4.435 -2.287 1.00 0.00 C ATOM 385 O GLN A 26 14.812 3.434 -3.004 1.00 0.00 O ATOM 386 CB GLN A 26 15.609 4.291 0.091 1.00 0.00 C ATOM 387 CG GLN A 26 16.871 4.076 0.950 1.00 0.00 C ATOM 388 CD GLN A 26 17.738 2.888 0.517 1.00 0.00 C ATOM 389 OE1 GLN A 26 17.342 2.009 -0.238 1.00 0.00 O ATOM 390 NE2 GLN A 26 18.965 2.808 0.987 1.00 0.00 N ATOM 0 H GLN A 26 16.193 6.627 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 26 16.800 4.200 -1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.970 5.033 0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.041 3.362 0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 26 17.476 4.982 0.918 1.00 0.00 H new ATOM 0 HG3 GLN A 26 16.569 3.931 1.987 1.00 0.00 H new ATOM 0 HE21 GLN A 26 19.318 3.528 1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 26 19.563 2.026 0.721 1.00 0.00 H new ATOM 399 N ALA A 27 13.758 5.304 -2.354 1.00 0.00 N ATOM 400 CA ALA A 27 12.648 5.162 -3.294 1.00 0.00 C ATOM 401 C ALA A 27 13.045 5.484 -4.748 1.00 0.00 C ATOM 402 O ALA A 27 12.508 4.871 -5.674 1.00 0.00 O ATOM 403 CB ALA A 27 11.501 6.044 -2.810 1.00 0.00 C ATOM 0 H ALA A 27 13.687 6.127 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 27 12.335 4.118 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.659 5.955 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.192 5.726 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.831 7.082 -2.773 1.00 0.00 H new ATOM 409 N HIS A 28 14.010 6.385 -4.963 1.00 0.00 N ATOM 410 CA HIS A 28 14.606 6.628 -6.280 1.00 0.00 C ATOM 411 C HIS A 28 15.437 5.425 -6.768 1.00 0.00 C ATOM 412 O HIS A 28 15.309 5.013 -7.920 1.00 0.00 O ATOM 413 CB HIS A 28 15.452 7.909 -6.228 1.00 0.00 C ATOM 414 CG HIS A 28 16.271 8.099 -7.476 1.00 0.00 C ATOM 415 ND1 HIS A 28 15.785 8.431 -8.716 1.00 0.00 N ATOM 416 CD2 HIS A 28 17.605 7.832 -7.616 1.00 0.00 C ATOM 417 CE1 HIS A 28 16.794 8.362 -9.594 1.00 0.00 C ATOM 418 NE2 HIS A 28 17.943 7.995 -8.975 1.00 0.00 N ATOM 0 H HIS A 28 14.401 6.969 -4.224 1.00 0.00 H new ATOM 0 HA HIS A 28 13.802 6.760 -7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 28 14.797 8.770 -6.090 1.00 0.00 H new ATOM 0 HB3 HIS A 28 16.114 7.870 -5.363 1.00 0.00 H new ATOM 0 HD1 HIS A 28 14.821 8.686 -8.932 1.00 0.00 H new ATOM 0 HD2 HIS A 28 18.281 7.546 -6.824 1.00 0.00 H new ATOM 0 HE1 HIS A 28 16.705 8.570 -10.650 1.00 0.00 H new ATOM 426 N LEU A 29 16.253 4.823 -5.893 1.00 0.00 N ATOM 427 CA LEU A 29 17.164 3.716 -6.217 1.00 0.00 C ATOM 428 C LEU A 29 16.460 2.479 -6.799 1.00 0.00 C ATOM 429 O LEU A 29 17.099 1.724 -7.532 1.00 0.00 O ATOM 430 CB LEU A 29 17.985 3.340 -4.967 1.00 0.00 C ATOM 431 CG LEU A 29 19.177 4.273 -4.676 1.00 0.00 C ATOM 432 CD1 LEU A 29 19.745 3.971 -3.288 1.00 0.00 C ATOM 433 CD2 LEU A 29 20.311 4.093 -5.687 1.00 0.00 C ATOM 0 H LEU A 29 16.299 5.100 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 29 17.824 4.073 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 29 17.323 3.338 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.358 2.323 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 29 18.801 5.294 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.587 4.633 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.972 4.129 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.081 2.935 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.128 4.771 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 29 20.670 3.064 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.944 4.315 -6.689 1.00 0.00 H new ATOM 445 N ARG A 30 15.147 2.307 -6.570 1.00 0.00 N ATOM 446 CA ARG A 30 14.333 1.215 -7.142 1.00 0.00 C ATOM 447 C ARG A 30 14.442 1.086 -8.671 1.00 0.00 C ATOM 448 O ARG A 30 14.299 -0.020 -9.191 1.00 0.00 O ATOM 449 CB ARG A 30 12.856 1.410 -6.756 1.00 0.00 C ATOM 450 CG ARG A 30 12.603 1.312 -5.241 1.00 0.00 C ATOM 451 CD ARG A 30 11.115 1.465 -4.900 1.00 0.00 C ATOM 452 NE ARG A 30 10.609 2.800 -5.270 1.00 0.00 N ATOM 453 CZ ARG A 30 9.366 3.237 -5.214 1.00 0.00 C ATOM 454 NH1 ARG A 30 8.388 2.500 -4.771 1.00 0.00 N ATOM 455 NH2 ARG A 30 9.089 4.446 -5.610 1.00 0.00 N ATOM 0 H ARG A 30 14.609 2.934 -5.971 1.00 0.00 H new ATOM 0 HA ARG A 30 14.732 0.292 -6.722 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.521 2.385 -7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.252 0.660 -7.267 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.963 0.351 -4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.175 2.084 -4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.541 0.700 -5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.967 1.302 -3.833 1.00 0.00 H new ATOM 0 HE ARG A 30 11.304 3.465 -5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.570 1.549 -4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.440 2.874 -4.743 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.832 5.050 -5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.129 4.789 -5.569 1.00 0.00 H new ATOM 469 N ILE A 31 14.720 2.179 -9.396 1.00 0.00 N ATOM 470 CA ILE A 31 14.893 2.156 -10.861 1.00 0.00 C ATOM 471 C ILE A 31 16.247 1.573 -11.308 1.00 0.00 C ATOM 472 O ILE A 31 16.375 1.089 -12.432 1.00 0.00 O ATOM 473 CB ILE A 31 14.650 3.545 -11.484 1.00 0.00 C ATOM 474 CG1 ILE A 31 15.836 4.522 -11.313 1.00 0.00 C ATOM 475 CG2 ILE A 31 13.308 4.132 -11.000 1.00 0.00 C ATOM 476 CD1 ILE A 31 15.588 5.890 -11.952 1.00 0.00 C ATOM 0 H ILE A 31 14.832 3.106 -8.986 1.00 0.00 H new ATOM 0 HA ILE A 31 14.129 1.476 -11.239 1.00 0.00 H new ATOM 0 HB ILE A 31 14.579 3.400 -12.562 1.00 0.00 H new ATOM 0 HG12 ILE A 31 16.037 4.656 -10.250 1.00 0.00 H new ATOM 0 HG13 ILE A 31 16.729 4.079 -11.753 1.00 0.00 H new ATOM 0 HG21 ILE A 31 13.156 5.112 -11.451 1.00 0.00 H new ATOM 0 HG22 ILE A 31 12.494 3.468 -11.291 1.00 0.00 H new ATOM 0 HG23 ILE A 31 13.324 4.231 -9.915 1.00 0.00 H new ATOM 0 HD11 ILE A 31 16.458 6.528 -11.796 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.416 5.766 -13.021 1.00 0.00 H new ATOM 0 HD13 ILE A 31 14.713 6.352 -11.495 1.00 0.00 H new ATOM 488 N HIS A 32 17.252 1.624 -10.429 1.00 0.00 N ATOM 489 CA HIS A 32 18.634 1.203 -10.689 1.00 0.00 C ATOM 490 C HIS A 32 18.971 -0.191 -10.121 1.00 0.00 C ATOM 491 O HIS A 32 19.838 -0.874 -10.673 1.00 0.00 O ATOM 492 CB HIS A 32 19.598 2.244 -10.099 1.00 0.00 C ATOM 493 CG HIS A 32 19.437 3.657 -10.612 1.00 0.00 C ATOM 494 ND1 HIS A 32 19.640 4.096 -11.901 1.00 0.00 N ATOM 495 CD2 HIS A 32 19.196 4.764 -9.849 1.00 0.00 C ATOM 496 CE1 HIS A 32 19.536 5.435 -11.918 1.00 0.00 C ATOM 497 NE2 HIS A 32 19.282 5.909 -10.674 1.00 0.00 N ATOM 0 H HIS A 32 17.121 1.973 -9.480 1.00 0.00 H new ATOM 0 HA HIS A 32 18.745 1.132 -11.771 1.00 0.00 H new ATOM 0 HB2 HIS A 32 19.473 2.254 -9.016 1.00 0.00 H new ATOM 0 HB3 HIS A 32 20.619 1.920 -10.299 1.00 0.00 H new ATOM 0 HD1 HIS A 32 19.836 3.504 -12.708 1.00 0.00 H new ATOM 0 HD2 HIS A 32 18.976 4.765 -8.792 1.00 0.00 H new ATOM 0 HE1 HIS A 32 19.640 6.049 -12.801 1.00 0.00 H new ATOM 505 N THR A 33 18.320 -0.621 -9.031 1.00 0.00 N ATOM 506 CA THR A 33 18.673 -1.844 -8.283 1.00 0.00 C ATOM 507 C THR A 33 18.098 -3.130 -8.899 1.00 0.00 C ATOM 508 O THR A 33 18.782 -3.789 -9.686 1.00 0.00 O ATOM 509 CB THR A 33 18.354 -1.722 -6.781 1.00 0.00 C ATOM 510 OG1 THR A 33 17.004 -1.352 -6.580 1.00 0.00 O ATOM 511 CG2 THR A 33 19.238 -0.679 -6.093 1.00 0.00 C ATOM 0 H THR A 33 17.522 -0.125 -8.636 1.00 0.00 H new ATOM 0 HA THR A 33 19.755 -1.938 -8.373 1.00 0.00 H new ATOM 0 HB THR A 33 18.547 -2.703 -6.346 1.00 0.00 H new ATOM 0 HG1 THR A 33 16.894 -0.397 -6.773 1.00 0.00 H new ATOM 0 HG21 THR A 33 18.980 -0.625 -5.035 1.00 0.00 H new ATOM 0 HG22 THR A 33 20.285 -0.964 -6.197 1.00 0.00 H new ATOM 0 HG23 THR A 33 19.079 0.295 -6.556 1.00 0.00 H new ATOM 519 N ASN A 34 16.870 -3.524 -8.539 1.00 0.00 N ATOM 520 CA ASN A 34 16.235 -4.781 -8.960 1.00 0.00 C ATOM 521 C ASN A 34 14.690 -4.713 -8.894 1.00 0.00 C ATOM 522 O ASN A 34 14.116 -3.865 -8.209 1.00 0.00 O ATOM 523 CB ASN A 34 16.780 -5.924 -8.071 1.00 0.00 C ATOM 524 CG ASN A 34 16.538 -7.322 -8.630 1.00 0.00 C ATOM 525 OD1 ASN A 34 16.202 -7.522 -9.790 1.00 0.00 O ATOM 526 ND2 ASN A 34 16.730 -8.343 -7.827 1.00 0.00 N ATOM 0 H ASN A 34 16.274 -2.963 -7.931 1.00 0.00 H new ATOM 0 HA ASN A 34 16.482 -4.966 -10.005 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.852 -5.781 -7.932 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.319 -5.854 -7.086 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.599 -9.294 -8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 34 17.010 -8.185 -6.859 1.00 0.00 H new ATOM 533 N GLU A 35 14.017 -5.642 -9.578 1.00 0.00 N ATOM 534 CA GLU A 35 12.558 -5.837 -9.556 1.00 0.00 C ATOM 535 C GLU A 35 12.136 -6.996 -8.630 1.00 0.00 C ATOM 536 O GLU A 35 12.907 -7.929 -8.376 1.00 0.00 O ATOM 537 CB GLU A 35 12.043 -6.092 -10.984 1.00 0.00 C ATOM 538 CG GLU A 35 12.162 -4.863 -11.895 1.00 0.00 C ATOM 539 CD GLU A 35 11.659 -5.177 -13.317 1.00 0.00 C ATOM 540 OE1 GLU A 35 10.468 -5.543 -13.474 1.00 0.00 O ATOM 541 OE2 GLU A 35 12.446 -5.065 -14.289 1.00 0.00 O ATOM 0 H GLU A 35 14.490 -6.308 -10.189 1.00 0.00 H new ATOM 0 HA GLU A 35 12.113 -4.925 -9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.602 -6.918 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.999 -6.403 -10.937 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.586 -4.038 -11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.201 -4.537 -11.937 1.00 0.00 H new ATOM 548 N LYS A 36 10.883 -6.968 -8.153 1.00 0.00 N ATOM 549 CA LYS A 36 10.260 -8.058 -7.378 1.00 0.00 C ATOM 550 C LYS A 36 9.851 -9.224 -8.307 1.00 0.00 C ATOM 551 O LYS A 36 9.168 -8.972 -9.304 1.00 0.00 O ATOM 552 CB LYS A 36 9.057 -7.506 -6.598 1.00 0.00 C ATOM 553 CG LYS A 36 9.481 -6.593 -5.436 1.00 0.00 C ATOM 554 CD LYS A 36 8.254 -6.050 -4.693 1.00 0.00 C ATOM 555 CE LYS A 36 8.686 -5.125 -3.549 1.00 0.00 C ATOM 556 NZ LYS A 36 7.510 -4.574 -2.822 1.00 0.00 N ATOM 0 H LYS A 36 10.260 -6.173 -8.296 1.00 0.00 H new ATOM 0 HA LYS A 36 10.982 -8.455 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.412 -6.949 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.468 -8.336 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.114 -7.148 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.077 -5.764 -5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.613 -5.506 -5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.665 -6.878 -4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.320 -5.675 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.285 -4.306 -3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.836 -3.953 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.919 -4.029 -3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.952 -5.355 -2.421 1.00 0.00 H new ATOM 570 N PRO A 37 10.239 -10.485 -8.017 1.00 0.00 N ATOM 571 CA PRO A 37 10.059 -11.615 -8.939 1.00 0.00 C ATOM 572 C PRO A 37 8.617 -12.132 -9.056 1.00 0.00 C ATOM 573 O PRO A 37 8.178 -12.478 -10.155 1.00 0.00 O ATOM 574 CB PRO A 37 10.981 -12.718 -8.407 1.00 0.00 C ATOM 575 CG PRO A 37 11.123 -12.405 -6.919 1.00 0.00 C ATOM 576 CD PRO A 37 11.084 -10.881 -6.900 1.00 0.00 C ATOM 0 HA PRO A 37 10.301 -11.291 -9.951 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.551 -13.707 -8.566 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.948 -12.706 -8.910 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.313 -12.839 -6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.056 -12.793 -6.509 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.681 -10.513 -5.957 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.086 -10.464 -7.002 1.00 0.00 H new ATOM 584 N TYR A 38 7.875 -12.203 -7.948 1.00 0.00 N ATOM 585 CA TYR A 38 6.551 -12.834 -7.895 1.00 0.00 C ATOM 586 C TYR A 38 5.447 -11.838 -8.265 1.00 0.00 C ATOM 587 O TYR A 38 4.751 -11.291 -7.406 1.00 0.00 O ATOM 588 CB TYR A 38 6.340 -13.536 -6.547 1.00 0.00 C ATOM 589 CG TYR A 38 7.332 -14.656 -6.309 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.251 -15.837 -7.070 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.364 -14.495 -5.370 1.00 0.00 C ATOM 592 CE1 TYR A 38 8.202 -16.860 -6.885 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.317 -15.513 -5.176 1.00 0.00 C ATOM 594 CZ TYR A 38 9.238 -16.701 -5.937 1.00 0.00 C ATOM 595 OH TYR A 38 10.150 -17.696 -5.763 1.00 0.00 O ATOM 0 H TYR A 38 8.178 -11.820 -7.052 1.00 0.00 H new ATOM 0 HA TYR A 38 6.496 -13.617 -8.651 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.425 -12.804 -5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.328 -13.938 -6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.460 -15.959 -7.795 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.427 -13.584 -4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.139 -17.767 -7.468 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.105 -15.386 -4.449 1.00 0.00 H new ATOM 0 HH TYR A 38 10.797 -17.431 -5.076 1.00 0.00 H new ATOM 605 N LYS A 39 5.326 -11.583 -9.570 1.00 0.00 N ATOM 606 CA LYS A 39 4.339 -10.679 -10.182 1.00 0.00 C ATOM 607 C LYS A 39 2.966 -11.342 -10.329 1.00 0.00 C ATOM 608 O LYS A 39 2.870 -12.530 -10.648 1.00 0.00 O ATOM 609 CB LYS A 39 4.860 -10.174 -11.536 1.00 0.00 C ATOM 610 CG LYS A 39 6.035 -9.204 -11.352 1.00 0.00 C ATOM 611 CD LYS A 39 6.655 -8.807 -12.694 1.00 0.00 C ATOM 612 CE LYS A 39 7.809 -7.823 -12.468 1.00 0.00 C ATOM 613 NZ LYS A 39 8.420 -7.393 -13.750 1.00 0.00 N ATOM 0 H LYS A 39 5.937 -12.017 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 39 4.204 -9.827 -9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.176 -11.021 -12.146 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.055 -9.676 -12.076 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.691 -8.310 -10.831 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.795 -9.667 -10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.019 -9.694 -13.212 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.898 -8.352 -13.333 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.443 -6.950 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.569 -8.290 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.186 -6.715 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.806 -8.222 -14.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.697 -6.940 -14.345 1.00 0.00 H new ATOM 627 N CYS A 40 1.912 -10.554 -10.136 1.00 0.00 N ATOM 628 CA CYS A 40 0.525 -10.974 -10.311 1.00 0.00 C ATOM 629 C CYS A 40 0.175 -11.144 -11.810 1.00 0.00 C ATOM 630 O CYS A 40 0.533 -10.287 -12.627 1.00 0.00 O ATOM 631 CB CYS A 40 -0.363 -9.951 -9.598 1.00 0.00 C ATOM 632 SG CYS A 40 -2.124 -10.369 -9.717 1.00 0.00 S ATOM 0 H CYS A 40 2.001 -9.580 -9.846 1.00 0.00 H new ATOM 0 HA CYS A 40 0.358 -11.956 -9.868 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.076 -9.892 -8.548 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.196 -8.964 -10.030 1.00 0.00 H new ATOM 637 N PRO A 41 -0.536 -12.223 -12.198 1.00 0.00 N ATOM 638 CA PRO A 41 -1.055 -12.402 -13.552 1.00 0.00 C ATOM 639 C PRO A 41 -2.276 -11.509 -13.855 1.00 0.00 C ATOM 640 O PRO A 41 -2.699 -11.443 -15.011 1.00 0.00 O ATOM 641 CB PRO A 41 -1.402 -13.892 -13.640 1.00 0.00 C ATOM 642 CG PRO A 41 -1.802 -14.247 -12.209 1.00 0.00 C ATOM 643 CD PRO A 41 -0.882 -13.366 -11.368 1.00 0.00 C ATOM 0 HA PRO A 41 -0.320 -12.101 -14.299 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.216 -14.074 -14.342 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.551 -14.484 -13.978 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.853 -14.031 -12.018 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.651 -15.306 -11.998 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.381 -13.045 -10.454 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.012 -13.913 -11.068 1.00 0.00 H new ATOM 651 N GLN A 42 -2.855 -10.834 -12.849 1.00 0.00 N ATOM 652 CA GLN A 42 -4.103 -10.066 -12.973 1.00 0.00 C ATOM 653 C GLN A 42 -3.959 -8.550 -12.723 1.00 0.00 C ATOM 654 O GLN A 42 -4.770 -7.794 -13.265 1.00 0.00 O ATOM 655 CB GLN A 42 -5.177 -10.673 -12.051 1.00 0.00 C ATOM 656 CG GLN A 42 -5.620 -12.074 -12.501 1.00 0.00 C ATOM 657 CD GLN A 42 -6.712 -12.642 -11.598 1.00 0.00 C ATOM 658 OE1 GLN A 42 -6.469 -13.442 -10.703 1.00 0.00 O ATOM 659 NE2 GLN A 42 -7.958 -12.260 -11.792 1.00 0.00 N ATOM 0 H GLN A 42 -2.461 -10.807 -11.909 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.405 -10.148 -14.017 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.788 -10.728 -11.034 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.044 -10.013 -12.026 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.985 -12.027 -13.527 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.761 -12.745 -12.498 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.178 -11.594 -12.533 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.703 -12.630 -11.201 1.00 0.00 H new ATOM 668 N CYS A 43 -2.966 -8.080 -11.949 1.00 0.00 N ATOM 669 CA CYS A 43 -2.758 -6.649 -11.682 1.00 0.00 C ATOM 670 C CYS A 43 -1.267 -6.258 -11.549 1.00 0.00 C ATOM 671 O CYS A 43 -0.363 -7.065 -11.782 1.00 0.00 O ATOM 672 CB CYS A 43 -3.610 -6.258 -10.460 1.00 0.00 C ATOM 673 SG CYS A 43 -2.967 -6.996 -8.944 1.00 0.00 S ATOM 0 H CYS A 43 -2.284 -8.684 -11.490 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.091 -6.072 -12.545 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.627 -5.173 -10.359 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.640 -6.580 -10.615 1.00 0.00 H new ATOM 678 N SER A 44 -1.008 -4.996 -11.193 1.00 0.00 N ATOM 679 CA SER A 44 0.339 -4.409 -11.050 1.00 0.00 C ATOM 680 C SER A 44 1.116 -4.886 -9.806 1.00 0.00 C ATOM 681 O SER A 44 2.258 -4.469 -9.594 1.00 0.00 O ATOM 682 CB SER A 44 0.241 -2.876 -11.038 1.00 0.00 C ATOM 683 OG SER A 44 -0.454 -2.401 -12.185 1.00 0.00 O ATOM 0 H SER A 44 -1.751 -4.328 -10.988 1.00 0.00 H new ATOM 0 HA SER A 44 0.907 -4.759 -11.912 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.273 -2.548 -10.135 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.241 -2.444 -11.010 1.00 0.00 H new ATOM 0 HG SER A 44 -0.505 -1.423 -12.155 1.00 0.00 H new ATOM 689 N TYR A 45 0.519 -5.744 -8.971 1.00 0.00 N ATOM 690 CA TYR A 45 1.131 -6.326 -7.776 1.00 0.00 C ATOM 691 C TYR A 45 2.394 -7.146 -8.087 1.00 0.00 C ATOM 692 O TYR A 45 2.447 -7.908 -9.058 1.00 0.00 O ATOM 693 CB TYR A 45 0.082 -7.200 -7.075 1.00 0.00 C ATOM 694 CG TYR A 45 0.588 -7.978 -5.867 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.258 -9.208 -6.033 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.397 -7.460 -4.570 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.732 -9.918 -4.914 1.00 0.00 C ATOM 698 CE2 TYR A 45 0.855 -8.175 -3.446 1.00 0.00 C ATOM 699 CZ TYR A 45 1.521 -9.409 -3.617 1.00 0.00 C ATOM 700 OH TYR A 45 1.956 -10.114 -2.539 1.00 0.00 O ATOM 0 H TYR A 45 -0.439 -6.062 -9.116 1.00 0.00 H new ATOM 0 HA TYR A 45 1.455 -5.512 -7.127 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.744 -6.564 -6.757 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.321 -7.907 -7.800 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.408 -9.608 -7.025 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.102 -6.512 -4.438 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.257 -10.852 -5.049 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.697 -7.780 -2.453 1.00 0.00 H new ATOM 0 HH TYR A 45 1.734 -9.627 -1.718 1.00 0.00 H new ATOM 710 N ALA A 46 3.395 -7.028 -7.214 1.00 0.00 N ATOM 711 CA ALA A 46 4.587 -7.876 -7.190 1.00 0.00 C ATOM 712 C ALA A 46 5.100 -8.111 -5.754 1.00 0.00 C ATOM 713 O ALA A 46 4.968 -7.237 -4.893 1.00 0.00 O ATOM 714 CB ALA A 46 5.663 -7.245 -8.081 1.00 0.00 C ATOM 0 H ALA A 46 3.399 -6.318 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 46 4.329 -8.860 -7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.556 -7.869 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.289 -7.164 -9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.910 -6.252 -7.706 1.00 0.00 H new ATOM 720 N SER A 47 5.731 -9.266 -5.508 1.00 0.00 N ATOM 721 CA SER A 47 6.321 -9.638 -4.211 1.00 0.00 C ATOM 722 C SER A 47 7.690 -10.319 -4.336 1.00 0.00 C ATOM 723 O SER A 47 8.056 -10.845 -5.388 1.00 0.00 O ATOM 724 CB SER A 47 5.362 -10.555 -3.443 1.00 0.00 C ATOM 725 OG SER A 47 5.780 -10.642 -2.089 1.00 0.00 O ATOM 0 H SER A 47 5.850 -9.986 -6.220 1.00 0.00 H new ATOM 0 HA SER A 47 6.479 -8.707 -3.667 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.346 -10.165 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.348 -11.546 -3.896 1.00 0.00 H new ATOM 0 HG SER A 47 5.349 -9.933 -1.567 1.00 0.00 H new ATOM 731 N ALA A 48 8.440 -10.335 -3.232 1.00 0.00 N ATOM 732 CA ALA A 48 9.664 -11.117 -3.063 1.00 0.00 C ATOM 733 C ALA A 48 9.397 -12.542 -2.518 1.00 0.00 C ATOM 734 O ALA A 48 10.331 -13.341 -2.423 1.00 0.00 O ATOM 735 CB ALA A 48 10.614 -10.320 -2.162 1.00 0.00 C ATOM 0 H ALA A 48 8.204 -9.786 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 48 10.125 -11.276 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.537 -10.882 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.841 -9.362 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.140 -10.149 -1.195 1.00 0.00 H new ATOM 741 N ILE A 49 8.142 -12.875 -2.169 1.00 0.00 N ATOM 742 CA ILE A 49 7.741 -14.159 -1.564 1.00 0.00 C ATOM 743 C ILE A 49 6.562 -14.781 -2.337 1.00 0.00 C ATOM 744 O ILE A 49 5.525 -14.143 -2.533 1.00 0.00 O ATOM 745 CB ILE A 49 7.413 -13.967 -0.059 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.587 -13.299 0.700 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.055 -15.318 0.595 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.336 -13.053 2.193 1.00 0.00 C ATOM 0 H ILE A 49 7.355 -12.240 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 49 8.575 -14.858 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 49 6.551 -13.303 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.472 -13.926 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.813 -12.345 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.828 -15.163 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.185 -15.745 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.898 -16.002 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.213 -12.583 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.473 -12.398 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.143 -14.003 2.691 1.00 0.00 H new ATOM 760 N LYS A 50 6.689 -16.057 -2.727 1.00 0.00 N ATOM 761 CA LYS A 50 5.674 -16.790 -3.514 1.00 0.00 C ATOM 762 C LYS A 50 4.370 -17.027 -2.741 1.00 0.00 C ATOM 763 O LYS A 50 3.283 -16.885 -3.297 1.00 0.00 O ATOM 764 CB LYS A 50 6.290 -18.113 -4.006 1.00 0.00 C ATOM 765 CG LYS A 50 5.461 -18.758 -5.127 1.00 0.00 C ATOM 766 CD LYS A 50 6.139 -20.033 -5.645 1.00 0.00 C ATOM 767 CE LYS A 50 5.307 -20.651 -6.777 1.00 0.00 C ATOM 768 NZ LYS A 50 5.933 -21.896 -7.298 1.00 0.00 N ATOM 0 H LYS A 50 7.509 -16.621 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 50 5.392 -16.173 -4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.302 -17.929 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.370 -18.808 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.464 -18.996 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.336 -18.050 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.141 -19.800 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.251 -20.751 -4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.304 -20.872 -6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.201 -19.930 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.345 -22.287 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.881 -21.680 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.011 -22.593 -6.530 1.00 0.00 H new ATOM 782 N ALA A 51 4.465 -17.315 -1.442 1.00 0.00 N ATOM 783 CA ALA A 51 3.307 -17.463 -0.557 1.00 0.00 C ATOM 784 C ALA A 51 2.544 -16.138 -0.337 1.00 0.00 C ATOM 785 O ALA A 51 1.328 -16.150 -0.154 1.00 0.00 O ATOM 786 CB ALA A 51 3.790 -18.061 0.771 1.00 0.00 C ATOM 0 H ALA A 51 5.358 -17.454 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 51 2.589 -18.132 -1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.943 -18.180 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.247 -19.033 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.524 -17.395 1.224 1.00 0.00 H new ATOM 792 N ASN A 52 3.220 -14.985 -0.425 1.00 0.00 N ATOM 793 CA ASN A 52 2.566 -13.675 -0.359 1.00 0.00 C ATOM 794 C ASN A 52 1.743 -13.416 -1.638 1.00 0.00 C ATOM 795 O ASN A 52 0.577 -13.025 -1.551 1.00 0.00 O ATOM 796 CB ASN A 52 3.638 -12.609 -0.073 1.00 0.00 C ATOM 797 CG ASN A 52 3.088 -11.264 0.381 1.00 0.00 C ATOM 798 OD1 ASN A 52 1.898 -11.053 0.570 1.00 0.00 O ATOM 799 ND2 ASN A 52 3.960 -10.311 0.617 1.00 0.00 N ATOM 0 H ASN A 52 4.232 -14.936 -0.543 1.00 0.00 H new ATOM 0 HA ASN A 52 1.844 -13.636 0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.313 -12.988 0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.232 -12.458 -0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.643 -9.402 0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.954 -10.479 0.462 1.00 0.00 H new ATOM 806 N LEU A 53 2.282 -13.768 -2.817 1.00 0.00 N ATOM 807 CA LEU A 53 1.515 -13.788 -4.070 1.00 0.00 C ATOM 808 C LEU A 53 0.330 -14.776 -4.001 1.00 0.00 C ATOM 809 O LEU A 53 -0.757 -14.451 -4.475 1.00 0.00 O ATOM 810 CB LEU A 53 2.464 -14.091 -5.250 1.00 0.00 C ATOM 811 CG LEU A 53 1.750 -14.257 -6.607 1.00 0.00 C ATOM 812 CD1 LEU A 53 1.028 -12.986 -7.052 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.753 -14.635 -7.694 1.00 0.00 C ATOM 0 H LEU A 53 3.257 -14.045 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 53 1.073 -12.804 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.193 -13.285 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.020 -15.003 -5.030 1.00 0.00 H new ATOM 0 HG LEU A 53 1.011 -15.046 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.543 -13.160 -8.013 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.276 -12.716 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.748 -12.174 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.233 -14.748 -8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.506 -13.852 -7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.237 -15.575 -7.431 1.00 0.00 H new ATOM 825 N ASN A 54 0.493 -15.942 -3.368 1.00 0.00 N ATOM 826 CA ASN A 54 -0.599 -16.903 -3.168 1.00 0.00 C ATOM 827 C ASN A 54 -1.759 -16.301 -2.346 1.00 0.00 C ATOM 828 O ASN A 54 -2.921 -16.447 -2.722 1.00 0.00 O ATOM 829 CB ASN A 54 -0.036 -18.180 -2.520 1.00 0.00 C ATOM 830 CG ASN A 54 -1.049 -19.310 -2.524 1.00 0.00 C ATOM 831 OD1 ASN A 54 -1.940 -19.388 -1.689 1.00 0.00 O ATOM 832 ND2 ASN A 54 -0.956 -20.214 -3.470 1.00 0.00 N ATOM 0 H ASN A 54 1.385 -16.247 -2.979 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.024 -17.158 -4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.860 -18.494 -3.055 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.264 -17.965 -1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.626 -20.982 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.213 -20.149 -4.166 1.00 0.00 H new ATOM 839 N VAL A 55 -1.456 -15.567 -1.268 1.00 0.00 N ATOM 840 CA VAL A 55 -2.459 -14.839 -0.466 1.00 0.00 C ATOM 841 C VAL A 55 -3.065 -13.664 -1.244 1.00 0.00 C ATOM 842 O VAL A 55 -4.267 -13.419 -1.146 1.00 0.00 O ATOM 843 CB VAL A 55 -1.859 -14.387 0.880 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.804 -13.499 1.703 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.524 -15.609 1.746 1.00 0.00 C ATOM 0 H VAL A 55 -0.503 -15.458 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.277 -15.526 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.971 -13.809 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.318 -13.218 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.046 -12.601 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.720 -14.047 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.101 -15.278 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.432 -16.182 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.801 -16.237 1.225 1.00 0.00 H new ATOM 855 N HIS A 56 -2.279 -12.973 -2.071 1.00 0.00 N ATOM 856 CA HIS A 56 -2.774 -11.905 -2.946 1.00 0.00 C ATOM 857 C HIS A 56 -3.772 -12.413 -4.007 1.00 0.00 C ATOM 858 O HIS A 56 -4.818 -11.798 -4.216 1.00 0.00 O ATOM 859 CB HIS A 56 -1.585 -11.185 -3.596 1.00 0.00 C ATOM 860 CG HIS A 56 -2.036 -10.184 -4.622 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.681 -9.001 -4.361 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.060 -10.373 -5.977 1.00 0.00 C ATOM 863 CE1 HIS A 56 -3.097 -8.484 -5.523 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.747 -9.289 -6.556 1.00 0.00 N ATOM 0 H HIS A 56 -1.276 -13.138 -2.154 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.332 -11.200 -2.329 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.001 -10.680 -2.827 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.928 -11.917 -4.066 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.820 -8.587 -3.439 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.628 -11.207 -6.509 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.637 -7.554 -5.624 1.00 0.00 H new ATOM 872 N LEU A 57 -3.503 -13.554 -4.649 1.00 0.00 N ATOM 873 CA LEU A 57 -4.400 -14.164 -5.645 1.00 0.00 C ATOM 874 C LEU A 57 -5.778 -14.516 -5.064 1.00 0.00 C ATOM 875 O LEU A 57 -6.792 -14.368 -5.748 1.00 0.00 O ATOM 876 CB LEU A 57 -3.727 -15.419 -6.211 1.00 0.00 C ATOM 877 CG LEU A 57 -2.585 -15.136 -7.199 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.745 -16.399 -7.363 1.00 0.00 C ATOM 879 CD2 LEU A 57 -3.122 -14.731 -8.572 1.00 0.00 C ATOM 0 H LEU A 57 -2.648 -14.088 -4.493 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.574 -13.433 -6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.337 -16.012 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.481 -16.027 -6.711 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.988 -14.316 -6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.932 -16.207 -8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.331 -16.689 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.371 -17.205 -7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.288 -14.538 -9.247 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.736 -15.537 -8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.726 -13.829 -8.475 1.00 0.00 H new ATOM 891 N ARG A 58 -5.842 -14.897 -3.783 1.00 0.00 N ATOM 892 CA ARG A 58 -7.108 -15.140 -3.054 1.00 0.00 C ATOM 893 C ARG A 58 -7.993 -13.889 -2.934 1.00 0.00 C ATOM 894 O ARG A 58 -9.202 -14.031 -2.760 1.00 0.00 O ATOM 895 CB ARG A 58 -6.814 -15.745 -1.667 1.00 0.00 C ATOM 896 CG ARG A 58 -6.140 -17.126 -1.748 1.00 0.00 C ATOM 897 CD ARG A 58 -5.550 -17.538 -0.392 1.00 0.00 C ATOM 898 NE ARG A 58 -4.666 -18.712 -0.533 1.00 0.00 N ATOM 899 CZ ARG A 58 -4.885 -19.951 -0.136 1.00 0.00 C ATOM 900 NH1 ARG A 58 -5.989 -20.328 0.448 1.00 0.00 N ATOM 901 NH2 ARG A 58 -3.965 -20.847 -0.333 1.00 0.00 N ATOM 0 H ARG A 58 -5.012 -15.049 -3.211 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.681 -15.854 -3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.171 -15.065 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.746 -15.833 -1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.868 -17.870 -2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.351 -17.104 -2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.989 -16.705 0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.356 -17.767 0.305 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.773 -18.544 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.733 -19.651 0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.108 -21.299 0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.090 -20.588 -0.788 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.118 -21.810 -0.032 1.00 0.00 H new ATOM 915 N LYS A 59 -7.438 -12.674 -3.084 1.00 0.00 N ATOM 916 CA LYS A 59 -8.193 -11.401 -3.092 1.00 0.00 C ATOM 917 C LYS A 59 -8.913 -11.125 -4.421 1.00 0.00 C ATOM 918 O LYS A 59 -9.919 -10.418 -4.429 1.00 0.00 O ATOM 919 CB LYS A 59 -7.279 -10.211 -2.731 1.00 0.00 C ATOM 920 CG LYS A 59 -6.498 -10.418 -1.425 1.00 0.00 C ATOM 921 CD LYS A 59 -5.785 -9.136 -0.980 1.00 0.00 C ATOM 922 CE LYS A 59 -5.032 -9.389 0.333 1.00 0.00 C ATOM 923 NZ LYS A 59 -4.382 -8.154 0.843 1.00 0.00 N ATOM 0 H LYS A 59 -6.434 -12.543 -3.206 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.965 -11.511 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.574 -10.044 -3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.885 -9.309 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.181 -10.745 -0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.765 -11.213 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.088 -8.810 -1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.510 -8.334 -0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.726 -9.771 1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.277 -10.159 0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.884 -8.365 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.701 -7.804 0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.105 -7.427 1.017 1.00 0.00 H new ATOM 937 N HIS A 60 -8.453 -11.716 -5.530 1.00 0.00 N ATOM 938 CA HIS A 60 -9.027 -11.533 -6.875 1.00 0.00 C ATOM 939 C HIS A 60 -10.365 -12.264 -7.120 1.00 0.00 C ATOM 940 O HIS A 60 -10.961 -12.140 -8.191 1.00 0.00 O ATOM 941 CB HIS A 60 -7.981 -11.912 -7.933 1.00 0.00 C ATOM 942 CG HIS A 60 -6.977 -10.820 -8.209 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.262 -9.605 -8.785 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.628 -10.850 -7.974 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.127 -8.903 -8.887 1.00 0.00 C ATOM 946 NE2 HIS A 60 -5.081 -9.620 -8.410 1.00 0.00 N ATOM 0 H HIS A 60 -7.654 -12.350 -5.521 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.283 -10.477 -6.956 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.451 -12.806 -7.604 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.492 -12.167 -8.861 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -8.185 -9.291 -9.085 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.078 -11.669 -7.533 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.055 -7.905 -9.293 1.00 0.00 H new ATOM 954 N THR A 61 -10.875 -12.992 -6.121 1.00 0.00 N ATOM 955 CA THR A 61 -12.229 -13.582 -6.093 1.00 0.00 C ATOM 956 C THR A 61 -13.358 -12.550 -6.319 1.00 0.00 C ATOM 957 O THR A 61 -14.426 -12.899 -6.831 1.00 0.00 O ATOM 958 CB THR A 61 -12.407 -14.325 -4.756 1.00 0.00 C ATOM 959 OG1 THR A 61 -13.636 -15.017 -4.708 1.00 0.00 O ATOM 960 CG2 THR A 61 -12.332 -13.385 -3.549 1.00 0.00 C ATOM 0 H THR A 61 -10.341 -13.197 -5.276 1.00 0.00 H new ATOM 0 HA THR A 61 -12.313 -14.277 -6.929 1.00 0.00 H new ATOM 0 HB THR A 61 -11.581 -15.034 -4.702 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.718 -15.479 -3.848 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.464 -13.959 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.360 -12.892 -3.532 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.119 -12.634 -3.623 1.00 0.00 H new ATOM 968 N GLY A 62 -13.110 -11.269 -6.012 1.00 0.00 N ATOM 969 CA GLY A 62 -13.985 -10.131 -6.322 1.00 0.00 C ATOM 970 C GLY A 62 -13.200 -8.867 -6.708 1.00 0.00 C ATOM 971 O GLY A 62 -11.982 -8.795 -6.531 1.00 0.00 O ATOM 0 H GLY A 62 -12.261 -10.987 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.652 -10.403 -7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -14.612 -9.914 -5.457 1.00 0.00 H new ATOM 975 N GLU A 63 -13.898 -7.866 -7.248 1.00 0.00 N ATOM 976 CA GLU A 63 -13.326 -6.576 -7.677 1.00 0.00 C ATOM 977 C GLU A 63 -14.334 -5.419 -7.574 1.00 0.00 C ATOM 978 O GLU A 63 -15.550 -5.640 -7.549 1.00 0.00 O ATOM 979 CB GLU A 63 -12.748 -6.696 -9.103 1.00 0.00 C ATOM 980 CG GLU A 63 -13.800 -6.907 -10.202 1.00 0.00 C ATOM 981 CD GLU A 63 -13.136 -7.264 -11.547 1.00 0.00 C ATOM 982 OE1 GLU A 63 -12.388 -6.426 -12.109 1.00 0.00 O ATOM 983 OE2 GLU A 63 -13.361 -8.388 -12.060 1.00 0.00 O ATOM 0 H GLU A 63 -14.904 -7.926 -7.406 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.515 -6.333 -6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.182 -5.793 -9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.044 -7.528 -9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.483 -7.704 -9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.397 -6.002 -10.317 1.00 0.00 H new ATOM 990 N LYS A 64 -13.820 -4.182 -7.522 1.00 0.00 N ATOM 991 CA LYS A 64 -14.613 -2.942 -7.476 1.00 0.00 C ATOM 992 C LYS A 64 -14.140 -1.899 -8.495 1.00 0.00 C ATOM 993 O LYS A 64 -12.971 -1.874 -8.885 1.00 0.00 O ATOM 994 CB LYS A 64 -14.609 -2.326 -6.062 1.00 0.00 C ATOM 995 CG LYS A 64 -15.245 -3.226 -4.990 1.00 0.00 C ATOM 996 CD LYS A 64 -15.484 -2.482 -3.666 1.00 0.00 C ATOM 997 CE LYS A 64 -16.655 -1.498 -3.782 1.00 0.00 C ATOM 998 NZ LYS A 64 -16.897 -0.769 -2.510 1.00 0.00 N ATOM 0 H LYS A 64 -12.815 -4.010 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.631 -3.227 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.581 -2.106 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.143 -1.376 -6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.193 -3.614 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.598 -4.084 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.689 -3.202 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.580 -1.943 -3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.449 -0.781 -4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.557 -2.040 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.287 0.172 -2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.573 -1.303 -1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.001 -0.666 -1.993 1.00 0.00 H new ATOM 1012 N PHE A 65 -15.053 -1.003 -8.854 1.00 0.00 N ATOM 1013 CA PHE A 65 -14.854 0.178 -9.696 1.00 0.00 C ATOM 1014 C PHE A 65 -15.312 1.438 -8.938 1.00 0.00 C ATOM 1015 O PHE A 65 -16.166 1.344 -8.053 1.00 0.00 O ATOM 1016 CB PHE A 65 -15.628 -0.014 -11.010 1.00 0.00 C ATOM 1017 CG PHE A 65 -15.306 -1.299 -11.754 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -14.244 -1.337 -12.677 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -16.052 -2.466 -11.501 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -13.937 -2.535 -13.349 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -15.742 -3.665 -12.169 1.00 0.00 C ATOM 1022 CZ PHE A 65 -14.687 -3.698 -13.096 1.00 0.00 C ATOM 0 H PHE A 65 -16.021 -1.086 -8.544 1.00 0.00 H new ATOM 0 HA PHE A 65 -13.798 0.306 -9.935 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -16.696 0.006 -10.793 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -15.420 0.831 -11.666 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.664 -0.446 -12.870 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -16.866 -2.441 -10.791 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -13.124 -2.561 -14.060 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.314 -4.559 -11.969 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.452 -4.616 -13.614 1.00 0.00 H new ATOM 1032 N ALA A 66 -14.767 2.615 -9.265 1.00 0.00 N ATOM 1033 CA ALA A 66 -15.036 3.871 -8.553 1.00 0.00 C ATOM 1034 C ALA A 66 -15.349 5.043 -9.502 1.00 0.00 C ATOM 1035 O ALA A 66 -14.724 5.183 -10.560 1.00 0.00 O ATOM 1036 CB ALA A 66 -13.840 4.188 -7.647 1.00 0.00 C ATOM 0 H ALA A 66 -14.117 2.724 -10.043 1.00 0.00 H new ATOM 0 HA ALA A 66 -15.934 3.738 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.026 5.119 -7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.702 3.378 -6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.941 4.292 -8.254 1.00 0.00 H new ATOM 1042 N CYS A 67 -16.295 5.899 -9.101 1.00 0.00 N ATOM 1043 CA CYS A 67 -16.717 7.085 -9.843 1.00 0.00 C ATOM 1044 C CYS A 67 -15.597 8.144 -9.929 1.00 0.00 C ATOM 1045 O CYS A 67 -14.797 8.323 -9.005 1.00 0.00 O ATOM 1046 CB CYS A 67 -18.003 7.603 -9.186 1.00 0.00 C ATOM 1047 SG CYS A 67 -18.744 8.962 -10.143 1.00 0.00 S ATOM 0 H CYS A 67 -16.802 5.779 -8.224 1.00 0.00 H new ATOM 0 HA CYS A 67 -16.925 6.835 -10.883 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -18.720 6.787 -9.096 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -17.783 7.947 -8.175 1.00 0.00 H new ATOM 1052 N ASP A 68 -15.548 8.851 -11.059 1.00 0.00 N ATOM 1053 CA ASP A 68 -14.607 9.950 -11.315 1.00 0.00 C ATOM 1054 C ASP A 68 -15.141 11.315 -10.831 1.00 0.00 C ATOM 1055 O ASP A 68 -14.399 12.300 -10.797 1.00 0.00 O ATOM 1056 CB ASP A 68 -14.266 9.962 -12.815 1.00 0.00 C ATOM 1057 CG ASP A 68 -13.067 10.871 -13.145 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -11.956 10.628 -12.612 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -13.212 11.795 -13.980 1.00 0.00 O ATOM 0 H ASP A 68 -16.176 8.673 -11.843 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.699 9.779 -10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.047 8.945 -13.142 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.137 10.297 -13.379 1.00 0.00 H new ATOM 1064 N TYR A 69 -16.422 11.379 -10.442 1.00 0.00 N ATOM 1065 CA TYR A 69 -17.153 12.619 -10.147 1.00 0.00 C ATOM 1066 C TYR A 69 -17.713 12.695 -8.710 1.00 0.00 C ATOM 1067 O TYR A 69 -17.999 13.796 -8.231 1.00 0.00 O ATOM 1068 CB TYR A 69 -18.290 12.765 -11.167 1.00 0.00 C ATOM 1069 CG TYR A 69 -17.864 12.769 -12.625 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -17.441 13.967 -13.230 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -17.901 11.575 -13.373 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -17.052 13.973 -14.584 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -17.510 11.576 -14.726 1.00 0.00 C ATOM 1074 CZ TYR A 69 -17.084 12.777 -15.336 1.00 0.00 C ATOM 1075 OH TYR A 69 -16.709 12.794 -16.645 1.00 0.00 O ATOM 0 H TYR A 69 -16.995 10.544 -10.320 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.441 13.441 -10.223 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.997 11.950 -11.016 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.824 13.693 -10.960 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -17.415 14.882 -12.656 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.230 10.658 -12.908 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -16.729 14.893 -15.048 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -17.536 10.659 -15.297 1.00 0.00 H new ATOM 0 HH TYR A 69 -16.787 11.892 -17.019 1.00 0.00 H new ATOM 1085 N CYS A 70 -17.861 11.556 -8.017 1.00 0.00 N ATOM 1086 CA CYS A 70 -18.287 11.465 -6.612 1.00 0.00 C ATOM 1087 C CYS A 70 -17.625 10.278 -5.869 1.00 0.00 C ATOM 1088 O CYS A 70 -16.741 9.597 -6.400 1.00 0.00 O ATOM 1089 CB CYS A 70 -19.824 11.435 -6.542 1.00 0.00 C ATOM 1090 SG CYS A 70 -20.497 9.869 -7.157 1.00 0.00 S ATOM 0 H CYS A 70 -17.681 10.642 -8.433 1.00 0.00 H new ATOM 0 HA CYS A 70 -17.941 12.354 -6.084 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -20.144 11.588 -5.511 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -20.230 12.260 -7.127 1.00 0.00 H new ATOM 1095 N SER A 71 -18.045 10.034 -4.623 1.00 0.00 N ATOM 1096 CA SER A 71 -17.529 8.970 -3.742 1.00 0.00 C ATOM 1097 C SER A 71 -18.093 7.563 -4.034 1.00 0.00 C ATOM 1098 O SER A 71 -17.749 6.609 -3.331 1.00 0.00 O ATOM 1099 CB SER A 71 -17.796 9.338 -2.273 1.00 0.00 C ATOM 1100 OG SER A 71 -17.304 10.634 -1.957 1.00 0.00 O ATOM 0 H SER A 71 -18.778 10.588 -4.181 1.00 0.00 H new ATOM 0 HA SER A 71 -16.460 8.911 -3.945 1.00 0.00 H new ATOM 0 HB2 SER A 71 -18.867 9.298 -2.077 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.325 8.601 -1.622 1.00 0.00 H new ATOM 0 HG SER A 71 -17.492 10.835 -1.017 1.00 0.00 H new ATOM 1106 N PHE A 72 -18.966 7.408 -5.037 1.00 0.00 N ATOM 1107 CA PHE A 72 -19.624 6.139 -5.377 1.00 0.00 C ATOM 1108 C PHE A 72 -18.641 5.035 -5.819 1.00 0.00 C ATOM 1109 O PHE A 72 -17.674 5.291 -6.545 1.00 0.00 O ATOM 1110 CB PHE A 72 -20.675 6.406 -6.465 1.00 0.00 C ATOM 1111 CG PHE A 72 -21.406 5.184 -6.995 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -22.346 4.510 -6.194 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -21.149 4.724 -8.301 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -23.016 3.375 -6.694 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -21.826 3.599 -8.805 1.00 0.00 C ATOM 1116 CZ PHE A 72 -22.752 2.917 -7.998 1.00 0.00 C ATOM 0 H PHE A 72 -19.241 8.177 -5.648 1.00 0.00 H new ATOM 0 HA PHE A 72 -20.099 5.758 -4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.413 7.103 -6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.185 6.904 -7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -22.555 4.863 -5.195 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -20.428 5.238 -8.919 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -23.733 2.856 -6.075 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -21.634 3.259 -9.812 1.00 0.00 H new ATOM 0 HZ PHE A 72 -23.260 2.043 -8.378 1.00 0.00 H new ATOM 1126 N THR A 73 -18.933 3.790 -5.429 1.00 0.00 N ATOM 1127 CA THR A 73 -18.259 2.571 -5.912 1.00 0.00 C ATOM 1128 C THR A 73 -19.264 1.505 -6.357 1.00 0.00 C ATOM 1129 O THR A 73 -20.396 1.450 -5.871 1.00 0.00 O ATOM 1130 CB THR A 73 -17.292 1.958 -4.886 1.00 0.00 C ATOM 1131 OG1 THR A 73 -17.942 1.648 -3.670 1.00 0.00 O ATOM 1132 CG2 THR A 73 -16.096 2.842 -4.548 1.00 0.00 C ATOM 0 H THR A 73 -19.666 3.592 -4.748 1.00 0.00 H new ATOM 0 HA THR A 73 -17.670 2.897 -6.769 1.00 0.00 H new ATOM 0 HB THR A 73 -16.930 1.056 -5.379 1.00 0.00 H new ATOM 0 HG1 THR A 73 -18.911 1.617 -3.815 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.464 2.336 -3.818 1.00 0.00 H new ATOM 0 HG22 THR A 73 -15.520 3.037 -5.453 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.447 3.786 -4.131 1.00 0.00 H new ATOM 1140 N CYS A 74 -18.845 0.650 -7.292 1.00 0.00 N ATOM 1141 CA CYS A 74 -19.688 -0.327 -7.981 1.00 0.00 C ATOM 1142 C CYS A 74 -18.971 -1.678 -8.173 1.00 0.00 C ATOM 1143 O CYS A 74 -17.740 -1.741 -8.180 1.00 0.00 O ATOM 1144 CB CYS A 74 -20.082 0.296 -9.327 1.00 0.00 C ATOM 1145 SG CYS A 74 -21.429 -0.641 -10.092 1.00 0.00 S ATOM 0 H CYS A 74 -17.873 0.618 -7.601 1.00 0.00 H new ATOM 0 HA CYS A 74 -20.572 -0.549 -7.383 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -20.390 1.331 -9.179 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -19.219 0.313 -9.993 1.00 0.00 H new ATOM 0 HG CYS A 74 -21.082 -0.999 -11.293 1.00 0.00 H new ATOM 1151 N LEU A 75 -19.739 -2.752 -8.384 1.00 0.00 N ATOM 1152 CA LEU A 75 -19.236 -4.097 -8.712 1.00 0.00 C ATOM 1153 C LEU A 75 -19.109 -4.351 -10.232 1.00 0.00 C ATOM 1154 O LEU A 75 -18.618 -5.404 -10.640 1.00 0.00 O ATOM 1155 CB LEU A 75 -20.132 -5.156 -8.036 1.00 0.00 C ATOM 1156 CG LEU A 75 -20.280 -5.026 -6.505 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -21.138 -6.173 -5.974 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -18.937 -5.053 -5.774 1.00 0.00 C ATOM 0 H LEU A 75 -20.757 -2.712 -8.331 1.00 0.00 H new ATOM 0 HA LEU A 75 -18.221 -4.173 -8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.124 -5.106 -8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -19.730 -6.144 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 75 -20.747 -4.060 -6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.241 -6.080 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -22.124 -6.135 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -20.662 -7.124 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.105 -4.958 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -18.430 -5.996 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -18.318 -4.225 -6.119 1.00 0.00 H new ATOM 1170 N SER A 76 -19.537 -3.402 -11.075 1.00 0.00 N ATOM 1171 CA SER A 76 -19.454 -3.470 -12.542 1.00 0.00 C ATOM 1172 C SER A 76 -19.172 -2.099 -13.165 1.00 0.00 C ATOM 1173 O SER A 76 -19.843 -1.113 -12.851 1.00 0.00 O ATOM 1174 CB SER A 76 -20.760 -4.035 -13.114 1.00 0.00 C ATOM 1175 OG SER A 76 -20.760 -3.957 -14.532 1.00 0.00 O ATOM 0 H SER A 76 -19.965 -2.537 -10.745 1.00 0.00 H new ATOM 0 HA SER A 76 -18.622 -4.128 -12.792 1.00 0.00 H new ATOM 0 HB2 SER A 76 -20.881 -5.072 -12.802 1.00 0.00 H new ATOM 0 HB3 SER A 76 -21.609 -3.480 -12.714 1.00 0.00 H new ATOM 0 HG SER A 76 -21.600 -4.323 -14.880 1.00 0.00 H new ATOM 1181 N LYS A 77 -18.229 -2.050 -14.116 1.00 0.00 N ATOM 1182 CA LYS A 77 -17.952 -0.856 -14.935 1.00 0.00 C ATOM 1183 C LYS A 77 -19.122 -0.465 -15.848 1.00 0.00 C ATOM 1184 O LYS A 77 -19.289 0.714 -16.152 1.00 0.00 O ATOM 1185 CB LYS A 77 -16.637 -1.036 -15.715 1.00 0.00 C ATOM 1186 CG LYS A 77 -16.645 -2.182 -16.742 1.00 0.00 C ATOM 1187 CD LYS A 77 -15.281 -2.285 -17.444 1.00 0.00 C ATOM 1188 CE LYS A 77 -15.261 -3.344 -18.556 1.00 0.00 C ATOM 1189 NZ LYS A 77 -15.334 -4.734 -18.029 1.00 0.00 N ATOM 0 H LYS A 77 -17.630 -2.844 -14.342 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.832 -0.015 -14.252 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.408 -0.105 -16.233 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.830 -1.211 -15.003 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.876 -3.123 -16.244 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.429 -2.011 -17.480 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.022 -1.315 -17.868 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.515 -2.525 -16.706 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.099 -3.172 -19.231 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.350 -3.230 -19.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.317 -5.407 -18.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.521 -4.912 -17.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.216 -4.855 -17.491 1.00 0.00 H new ATOM 1203 N GLY A 78 -19.971 -1.423 -16.233 1.00 0.00 N ATOM 1204 CA GLY A 78 -21.192 -1.171 -17.009 1.00 0.00 C ATOM 1205 C GLY A 78 -22.250 -0.427 -16.193 1.00 0.00 C ATOM 1206 O GLY A 78 -22.770 0.600 -16.631 1.00 0.00 O ATOM 0 H GLY A 78 -19.829 -2.409 -16.012 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -20.943 -0.588 -17.896 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -21.603 -2.119 -17.355 1.00 0.00 H new ATOM 1210 N HIS A 79 -22.511 -0.872 -14.961 1.00 0.00 N ATOM 1211 CA HIS A 79 -23.426 -0.175 -14.049 1.00 0.00 C ATOM 1212 C HIS A 79 -22.836 1.154 -13.535 1.00 0.00 C ATOM 1213 O HIS A 79 -23.574 2.123 -13.345 1.00 0.00 O ATOM 1214 CB HIS A 79 -23.835 -1.127 -12.918 1.00 0.00 C ATOM 1215 CG HIS A 79 -24.849 -0.526 -11.974 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -24.625 -0.147 -10.671 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -26.156 -0.232 -12.261 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -25.767 0.364 -10.179 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -26.734 0.330 -11.113 1.00 0.00 N ATOM 0 H HIS A 79 -22.099 -1.718 -14.569 1.00 0.00 H new ATOM 0 HA HIS A 79 -24.325 0.109 -14.596 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -24.246 -2.039 -13.350 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -22.947 -1.413 -12.354 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -23.744 -0.238 -10.165 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -26.653 -0.403 -13.204 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -25.890 0.747 -9.177 1.00 0.00 H new ATOM 1227 N LEU A 80 -21.506 1.261 -13.408 1.00 0.00 N ATOM 1228 CA LEU A 80 -20.832 2.535 -13.139 1.00 0.00 C ATOM 1229 C LEU A 80 -21.001 3.536 -14.298 1.00 0.00 C ATOM 1230 O LEU A 80 -21.244 4.718 -14.050 1.00 0.00 O ATOM 1231 CB LEU A 80 -19.350 2.272 -12.827 1.00 0.00 C ATOM 1232 CG LEU A 80 -18.542 3.539 -12.492 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -19.075 4.264 -11.257 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -17.090 3.160 -12.224 1.00 0.00 C ATOM 0 H LEU A 80 -20.870 0.468 -13.489 1.00 0.00 H new ATOM 0 HA LEU A 80 -21.300 2.998 -12.270 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.284 1.580 -11.987 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -18.892 1.778 -13.684 1.00 0.00 H new ATOM 0 HG LEU A 80 -18.630 4.207 -13.349 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -18.469 5.150 -11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -20.109 4.562 -11.428 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -19.027 3.598 -10.395 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.518 4.057 -11.987 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -17.044 2.467 -11.384 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.669 2.684 -13.110 1.00 0.00 H new ATOM 1246 N LYS A 81 -20.954 3.083 -15.558 1.00 0.00 N ATOM 1247 CA LYS A 81 -21.282 3.930 -16.716 1.00 0.00 C ATOM 1248 C LYS A 81 -22.735 4.410 -16.656 1.00 0.00 C ATOM 1249 O LYS A 81 -22.976 5.598 -16.844 1.00 0.00 O ATOM 1250 CB LYS A 81 -20.949 3.197 -18.028 1.00 0.00 C ATOM 1251 CG LYS A 81 -21.122 4.112 -19.249 1.00 0.00 C ATOM 1252 CD LYS A 81 -20.710 3.400 -20.544 1.00 0.00 C ATOM 1253 CE LYS A 81 -20.908 4.339 -21.741 1.00 0.00 C ATOM 1254 NZ LYS A 81 -20.514 3.688 -23.019 1.00 0.00 N ATOM 0 H LYS A 81 -20.690 2.129 -15.804 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.663 4.827 -16.684 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.923 2.831 -17.990 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -21.595 2.325 -18.132 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -22.162 4.431 -19.322 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.521 5.012 -19.119 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -19.667 3.090 -20.483 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -21.304 2.496 -20.677 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.953 4.645 -21.795 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -20.318 5.244 -21.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -20.661 4.351 -23.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -19.510 3.418 -22.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -21.095 2.838 -23.169 1.00 0.00 H new ATOM 1268 N VAL A 82 -23.689 3.545 -16.298 1.00 0.00 N ATOM 1269 CA VAL A 82 -25.099 3.938 -16.084 1.00 0.00 C ATOM 1270 C VAL A 82 -25.234 4.991 -14.970 1.00 0.00 C ATOM 1271 O VAL A 82 -25.955 5.970 -15.157 1.00 0.00 O ATOM 1272 CB VAL A 82 -25.992 2.705 -15.823 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -27.437 3.082 -15.469 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -26.058 1.814 -17.071 1.00 0.00 C ATOM 0 H VAL A 82 -23.513 2.552 -16.147 1.00 0.00 H new ATOM 0 HA VAL A 82 -25.452 4.405 -17.004 1.00 0.00 H new ATOM 0 HB VAL A 82 -25.536 2.185 -14.980 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -28.018 2.176 -15.296 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -27.443 3.694 -14.567 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -27.878 3.644 -16.292 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.691 0.950 -16.868 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -26.475 2.383 -17.902 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -25.055 1.475 -17.330 1.00 0.00 H new ATOM 1284 N HIS A 83 -24.494 4.865 -13.860 1.00 0.00 N ATOM 1285 CA HIS A 83 -24.414 5.905 -12.823 1.00 0.00 C ATOM 1286 C HIS A 83 -23.899 7.241 -13.390 1.00 0.00 C ATOM 1287 O HIS A 83 -24.537 8.274 -13.198 1.00 0.00 O ATOM 1288 CB HIS A 83 -23.554 5.404 -11.645 1.00 0.00 C ATOM 1289 CG HIS A 83 -23.134 6.479 -10.668 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -23.837 6.902 -9.567 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -21.964 7.191 -10.693 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -23.120 7.847 -8.942 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -21.957 8.081 -9.598 1.00 0.00 N ATOM 0 H HIS A 83 -23.933 4.038 -13.655 1.00 0.00 H new ATOM 0 HA HIS A 83 -25.420 6.102 -12.452 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -24.112 4.639 -11.105 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -22.660 4.925 -12.044 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -24.751 6.556 -9.274 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -21.179 7.088 -11.427 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -23.427 8.353 -8.039 1.00 0.00 H new ATOM 1301 N ILE A 84 -22.788 7.243 -14.137 1.00 0.00 N ATOM 1302 CA ILE A 84 -22.211 8.469 -14.716 1.00 0.00 C ATOM 1303 C ILE A 84 -23.176 9.126 -15.716 1.00 0.00 C ATOM 1304 O ILE A 84 -23.452 10.321 -15.609 1.00 0.00 O ATOM 1305 CB ILE A 84 -20.812 8.181 -15.316 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -19.817 7.802 -14.190 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -20.277 9.398 -16.094 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -18.485 7.224 -14.684 1.00 0.00 C ATOM 0 H ILE A 84 -22.262 6.398 -14.359 1.00 0.00 H new ATOM 0 HA ILE A 84 -22.067 9.199 -13.919 1.00 0.00 H new ATOM 0 HB ILE A 84 -20.911 7.347 -16.010 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -19.613 8.689 -13.590 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -20.292 7.074 -13.533 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.294 9.165 -16.503 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -20.961 9.639 -16.908 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -20.197 10.253 -15.422 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -17.852 6.988 -13.829 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -18.673 6.317 -15.258 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -17.983 7.956 -15.316 1.00 0.00 H new ATOM 1320 N GLU A 85 -23.746 8.352 -16.640 1.00 0.00 N ATOM 1321 CA GLU A 85 -24.643 8.844 -17.696 1.00 0.00 C ATOM 1322 C GLU A 85 -26.000 9.364 -17.173 1.00 0.00 C ATOM 1323 O GLU A 85 -26.650 10.142 -17.874 1.00 0.00 O ATOM 1324 CB GLU A 85 -24.881 7.723 -18.726 1.00 0.00 C ATOM 1325 CG GLU A 85 -23.644 7.302 -19.546 1.00 0.00 C ATOM 1326 CD GLU A 85 -23.145 8.367 -20.540 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -23.968 8.991 -21.252 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -21.909 8.568 -20.632 1.00 0.00 O ATOM 0 H GLU A 85 -23.596 7.344 -16.679 1.00 0.00 H new ATOM 0 HA GLU A 85 -24.145 9.699 -18.154 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -25.263 6.847 -18.202 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -25.660 8.047 -19.416 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -22.834 7.057 -18.859 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -23.881 6.392 -20.097 1.00 0.00 H new ATOM 1335 N ARG A 86 -26.437 8.955 -15.968 1.00 0.00 N ATOM 1336 CA ARG A 86 -27.702 9.393 -15.335 1.00 0.00 C ATOM 1337 C ARG A 86 -27.544 10.451 -14.235 1.00 0.00 C ATOM 1338 O ARG A 86 -28.435 11.286 -14.074 1.00 0.00 O ATOM 1339 CB ARG A 86 -28.467 8.174 -14.799 1.00 0.00 C ATOM 1340 CG ARG A 86 -28.971 7.258 -15.924 1.00 0.00 C ATOM 1341 CD ARG A 86 -29.769 6.091 -15.336 1.00 0.00 C ATOM 1342 NE ARG A 86 -30.288 5.202 -16.393 1.00 0.00 N ATOM 1343 CZ ARG A 86 -30.945 4.068 -16.217 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -31.216 3.601 -15.031 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -31.343 3.372 -17.243 1.00 0.00 N ATOM 0 H ARG A 86 -25.912 8.297 -15.392 1.00 0.00 H new ATOM 0 HA ARG A 86 -28.269 9.887 -16.124 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -27.818 7.605 -14.134 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -29.314 8.513 -14.203 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -29.597 7.826 -16.613 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -28.127 6.878 -16.499 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -29.134 5.520 -14.658 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -30.599 6.478 -14.745 1.00 0.00 H new ATOM 0 HE ARG A 86 -30.123 5.491 -17.357 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -30.919 4.114 -14.201 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -31.725 2.723 -14.933 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -31.148 3.701 -18.189 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -31.849 2.498 -17.101 1.00 0.00 H new ATOM 1359 N VAL A 87 -26.459 10.405 -13.455 1.00 0.00 N ATOM 1360 CA VAL A 87 -26.257 11.250 -12.258 1.00 0.00 C ATOM 1361 C VAL A 87 -25.354 12.453 -12.546 1.00 0.00 C ATOM 1362 O VAL A 87 -25.638 13.555 -12.073 1.00 0.00 O ATOM 1363 CB VAL A 87 -25.712 10.419 -11.072 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -25.562 11.254 -9.793 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -26.644 9.245 -10.738 1.00 0.00 C ATOM 0 H VAL A 87 -25.680 9.772 -13.635 1.00 0.00 H new ATOM 0 HA VAL A 87 -27.235 11.642 -11.978 1.00 0.00 H new ATOM 0 HB VAL A 87 -24.735 10.060 -11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -25.176 10.625 -8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -24.869 12.076 -9.974 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -26.534 11.655 -9.504 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -26.233 8.681 -9.901 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -27.629 9.627 -10.470 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -26.733 8.592 -11.606 1.00 0.00 H new ATOM 1375 N HIS A 88 -24.288 12.265 -13.332 1.00 0.00 N ATOM 1376 CA HIS A 88 -23.308 13.319 -13.646 1.00 0.00 C ATOM 1377 C HIS A 88 -23.498 13.911 -15.052 1.00 0.00 C ATOM 1378 O HIS A 88 -23.170 15.078 -15.282 1.00 0.00 O ATOM 1379 CB HIS A 88 -21.896 12.771 -13.400 1.00 0.00 C ATOM 1380 CG HIS A 88 -21.709 12.289 -11.979 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -21.791 13.057 -10.839 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -21.463 11.008 -11.580 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -21.590 12.263 -9.776 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -21.372 10.987 -10.171 1.00 0.00 N ATOM 0 H HIS A 88 -24.077 11.370 -13.774 1.00 0.00 H new ATOM 0 HA HIS A 88 -23.470 14.166 -12.979 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -21.702 11.949 -14.089 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -21.164 13.548 -13.617 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -21.974 14.060 -10.808 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -21.356 10.154 -12.232 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -21.601 12.596 -8.749 1.00 0.00 H new ATOM 1392 N LYS A 89 -24.084 13.136 -15.974 1.00 0.00 N ATOM 1393 CA LYS A 89 -24.581 13.574 -17.290 1.00 0.00 C ATOM 1394 C LYS A 89 -26.118 13.542 -17.319 1.00 0.00 C ATOM 1395 O LYS A 89 -26.743 12.953 -16.435 1.00 0.00 O ATOM 1396 CB LYS A 89 -23.977 12.735 -18.423 1.00 0.00 C ATOM 1397 CG LYS A 89 -22.440 12.651 -18.390 1.00 0.00 C ATOM 1398 CD LYS A 89 -21.955 11.858 -19.607 1.00 0.00 C ATOM 1399 CE LYS A 89 -20.458 11.552 -19.532 1.00 0.00 C ATOM 1400 NZ LYS A 89 -20.054 10.644 -20.635 1.00 0.00 N ATOM 0 H LYS A 89 -24.233 12.139 -15.818 1.00 0.00 H new ATOM 0 HA LYS A 89 -24.262 14.604 -17.451 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -24.387 11.726 -18.372 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -24.287 13.157 -19.379 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.009 13.652 -18.397 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -22.110 12.168 -17.470 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.513 10.924 -19.677 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.164 12.423 -20.515 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.888 12.480 -19.590 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.223 11.093 -18.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.191 10.131 -20.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.818 9.963 -20.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.870 11.201 -21.494 1.00 0.00 H new ATOM 1414 N LYS A 90 -26.720 14.188 -18.328 1.00 0.00 N ATOM 1415 CA LYS A 90 -28.184 14.244 -18.576 1.00 0.00 C ATOM 1416 C LYS A 90 -29.016 14.712 -17.360 1.00 0.00 C ATOM 1417 O LYS A 90 -30.177 14.326 -17.201 1.00 0.00 O ATOM 1418 CB LYS A 90 -28.679 12.906 -19.171 1.00 0.00 C ATOM 1419 CG LYS A 90 -27.921 12.481 -20.444 1.00 0.00 C ATOM 1420 CD LYS A 90 -28.422 11.149 -21.025 1.00 0.00 C ATOM 1421 CE LYS A 90 -29.859 11.248 -21.558 1.00 0.00 C ATOM 1422 NZ LYS A 90 -30.297 9.974 -22.188 1.00 0.00 N ATOM 0 H LYS A 90 -26.188 14.709 -19.025 1.00 0.00 H new ATOM 0 HA LYS A 90 -28.349 15.026 -19.317 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -28.577 12.123 -18.419 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -29.741 12.991 -19.401 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -28.023 13.261 -21.198 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -26.859 12.395 -20.216 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -27.759 10.835 -21.831 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -28.375 10.379 -20.255 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -30.534 11.502 -20.741 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -29.923 12.056 -22.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -31.271 10.076 -22.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -29.667 9.745 -22.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -30.259 9.208 -21.485 1.00 0.00 H new ATOM 1436 N ILE A 91 -28.416 15.535 -16.496 1.00 0.00 N ATOM 1437 CA ILE A 91 -28.945 15.984 -15.202 1.00 0.00 C ATOM 1438 C ILE A 91 -29.348 17.470 -15.244 1.00 0.00 C ATOM 1439 O ILE A 91 -28.728 18.274 -15.950 1.00 0.00 O ATOM 1440 CB ILE A 91 -27.921 15.634 -14.091 1.00 0.00 C ATOM 1441 CG1 ILE A 91 -28.442 15.861 -12.658 1.00 0.00 C ATOM 1442 CG2 ILE A 91 -26.587 16.387 -14.257 1.00 0.00 C ATOM 1443 CD1 ILE A 91 -29.658 15.002 -12.291 1.00 0.00 C ATOM 0 H ILE A 91 -27.496 15.929 -16.690 1.00 0.00 H new ATOM 0 HA ILE A 91 -29.869 15.456 -14.968 1.00 0.00 H new ATOM 0 HB ILE A 91 -27.757 14.564 -14.222 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -27.637 15.653 -11.953 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -28.704 16.912 -12.541 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -25.907 16.105 -13.453 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -26.140 16.129 -15.217 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -26.768 17.461 -14.219 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -29.963 15.221 -11.268 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -30.480 15.226 -12.970 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -29.397 13.947 -12.374 1.00 0.00 H new ATOM 1455 N LYS A 92 -30.404 17.831 -14.502 1.00 0.00 N ATOM 1456 CA LYS A 92 -30.968 19.191 -14.415 1.00 0.00 C ATOM 1457 C LYS A 92 -30.251 20.048 -13.357 1.00 0.00 C ATOM 1458 O LYS A 92 -30.198 19.633 -12.177 1.00 0.00 O ATOM 1459 CB LYS A 92 -32.487 19.093 -14.187 1.00 0.00 C ATOM 1460 CG LYS A 92 -33.184 20.462 -14.303 1.00 0.00 C ATOM 1461 CD LYS A 92 -34.699 20.393 -14.046 1.00 0.00 C ATOM 1462 CE LYS A 92 -35.437 19.569 -15.109 1.00 0.00 C ATOM 1463 NZ LYS A 92 -36.906 19.571 -14.879 1.00 0.00 N ATOM 1464 OXT LYS A 92 -29.744 21.135 -13.718 1.00 0.00 O ATOM 0 H LYS A 92 -30.910 17.161 -13.923 1.00 0.00 H new ATOM 0 HA LYS A 92 -30.800 19.712 -15.358 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -32.918 18.405 -14.915 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -32.678 18.673 -13.199 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -32.732 21.154 -13.592 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -33.009 20.869 -15.299 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -34.878 19.957 -13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -35.107 21.403 -14.026 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -35.222 19.974 -16.098 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -35.067 18.544 -15.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -37.373 19.005 -15.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -37.112 19.162 -13.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -37.262 20.548 -14.915 1.00 0.00 H new TER 1478 LYS A 92 HETATM 1479 ZN ZN A 101 19.605 7.607 -9.849 1.00 0.00 ZN HETATM 1480 ZN ZN A 102 -3.249 -9.073 -8.390 1.00 0.00 ZN HETATM 1481 ZN ZN A 103 -20.668 9.458 -9.278 1.00 0.00 ZN