USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 723 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 42 HIS HE2 : A 42 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 76 HIS HE2 : A 76 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 91 GLN : amide:sc= -0.0452 X(o=-0.095,f=-0.096) USER MOD Set 1.2: A 93 ASN : amide:sc= -0.0496 X(o=-0.095,f=0) USER MOD Set 2.1: A 62 TYR OH : rot -109:sc= 0.461 USER MOD Set 2.2: A 82 GLN :FLIP amide:sc= -2.96 F(o=-3.9!,f=-2.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00172 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -32:sc= 0.175! USER MOD Single : A 12 GLN :FLIP amide:sc= -1.48 F(o=-2.5,f=-1.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -3.98! C(o=-4!,f=-5.7!) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.736 F(o=-1.8!,f=-0.74) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0486 K(o=-0.049,f=-1) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -145:sc= -1.38 (180deg=-3.74!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -130:sc= -0.112 (180deg=-0.504) USER MOD Single : A 73 LYS NZ :NH3+ 147:sc= -0.519 (180deg=-1.6!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -13.5! C(o=-16!,f=-14!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.723 K(o=-0.72,f=-4.8!) USER MOD Single : A 90 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.047) USER MOD Single : A 94 GLN : amide:sc= -0.0539 K(o=-0.054,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.978 10.828 -38.128 1.00 0.00 N ATOM 2 CA GLY A 1 -14.029 11.875 -37.798 1.00 0.00 C ATOM 3 C GLY A 1 -12.913 11.383 -36.897 1.00 0.00 C ATOM 4 O GLY A 1 -13.092 11.264 -35.685 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.721 11.214 -38.745 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.486 10.056 -38.621 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.409 10.462 -37.255 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.600 12.275 -38.717 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.553 12.695 -37.307 1.00 0.00 H new ATOM 8 N SER A 2 -11.759 11.096 -37.491 1.00 0.00 N ATOM 9 CA SER A 2 -10.612 10.609 -36.734 1.00 0.00 C ATOM 10 C SER A 2 -9.378 11.463 -37.010 1.00 0.00 C ATOM 11 O SER A 2 -9.335 12.215 -37.983 1.00 0.00 O ATOM 12 CB SER A 2 -10.324 9.148 -37.088 1.00 0.00 C ATOM 13 OG SER A 2 -10.067 8.999 -38.473 1.00 0.00 O ATOM 0 H SER A 2 -11.594 11.192 -38.493 1.00 0.00 H new ATOM 0 HA SER A 2 -10.851 10.678 -35.673 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.466 8.794 -36.516 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.174 8.528 -36.804 1.00 0.00 H new ATOM 0 HG SER A 2 -9.884 8.057 -38.672 1.00 0.00 H new ATOM 19 N SER A 3 -8.376 11.340 -36.145 1.00 0.00 N ATOM 20 CA SER A 3 -7.142 12.103 -36.291 1.00 0.00 C ATOM 21 C SER A 3 -5.982 11.191 -36.679 1.00 0.00 C ATOM 22 O SER A 3 -6.033 9.980 -36.468 1.00 0.00 O ATOM 23 CB SER A 3 -6.815 12.839 -34.990 1.00 0.00 C ATOM 24 OG SER A 3 -5.692 13.688 -35.153 1.00 0.00 O ATOM 0 H SER A 3 -8.395 10.719 -35.336 1.00 0.00 H new ATOM 0 HA SER A 3 -7.288 12.834 -37.086 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.677 13.427 -34.675 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.616 12.116 -34.199 1.00 0.00 H new ATOM 0 HG SER A 3 -5.504 14.148 -34.308 1.00 0.00 H new ATOM 30 N GLY A 4 -4.936 11.783 -37.247 1.00 0.00 N ATOM 31 CA GLY A 4 -3.778 11.010 -37.656 1.00 0.00 C ATOM 32 C GLY A 4 -2.711 10.951 -36.580 1.00 0.00 C ATOM 33 O GLY A 4 -1.989 11.923 -36.358 1.00 0.00 O ATOM 0 H GLY A 4 -4.870 12.784 -37.431 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.092 9.997 -37.908 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.354 11.447 -38.560 1.00 0.00 H new ATOM 37 N SER A 5 -2.613 9.808 -35.909 1.00 0.00 N ATOM 38 CA SER A 5 -1.631 9.628 -34.846 1.00 0.00 C ATOM 39 C SER A 5 -0.405 8.880 -35.361 1.00 0.00 C ATOM 40 O SER A 5 -0.435 7.662 -35.535 1.00 0.00 O ATOM 41 CB SER A 5 -2.251 8.867 -33.673 1.00 0.00 C ATOM 42 OG SER A 5 -2.937 9.747 -32.799 1.00 0.00 O ATOM 0 H SER A 5 -3.201 8.993 -36.082 1.00 0.00 H new ATOM 0 HA SER A 5 -1.317 10.614 -34.504 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.941 8.112 -34.049 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.471 8.340 -33.124 1.00 0.00 H new ATOM 0 HG SER A 5 -3.326 9.236 -32.059 1.00 0.00 H new ATOM 48 N SER A 6 0.673 9.619 -35.603 1.00 0.00 N ATOM 49 CA SER A 6 1.909 9.028 -36.101 1.00 0.00 C ATOM 50 C SER A 6 3.109 9.515 -35.294 1.00 0.00 C ATOM 51 O SER A 6 3.736 10.516 -35.636 1.00 0.00 O ATOM 52 CB SER A 6 2.103 9.369 -37.580 1.00 0.00 C ATOM 53 OG SER A 6 1.209 8.631 -38.395 1.00 0.00 O ATOM 0 H SER A 6 0.715 10.628 -35.462 1.00 0.00 H new ATOM 0 HA SER A 6 1.834 7.946 -35.991 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.944 10.436 -37.734 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.130 9.154 -37.874 1.00 0.00 H new ATOM 0 HG SER A 6 1.352 8.868 -39.335 1.00 0.00 H new ATOM 59 N GLY A 7 3.421 8.797 -34.219 1.00 0.00 N ATOM 60 CA GLY A 7 4.544 9.171 -33.379 1.00 0.00 C ATOM 61 C GLY A 7 4.669 8.289 -32.152 1.00 0.00 C ATOM 62 O GLY A 7 4.441 7.081 -32.222 1.00 0.00 O ATOM 0 H GLY A 7 2.917 7.964 -33.915 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.464 9.112 -33.960 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.430 10.209 -33.067 1.00 0.00 H new ATOM 66 N SER A 8 5.034 8.893 -31.026 1.00 0.00 N ATOM 67 CA SER A 8 5.194 8.153 -29.779 1.00 0.00 C ATOM 68 C SER A 8 3.948 7.329 -29.472 1.00 0.00 C ATOM 69 O SER A 8 2.836 7.695 -29.855 1.00 0.00 O ATOM 70 CB SER A 8 5.481 9.115 -28.624 1.00 0.00 C ATOM 71 OG SER A 8 5.694 8.409 -27.414 1.00 0.00 O ATOM 0 H SER A 8 5.225 9.892 -30.951 1.00 0.00 H new ATOM 0 HA SER A 8 6.038 7.473 -29.895 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.359 9.717 -28.857 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.645 9.804 -28.504 1.00 0.00 H new ATOM 0 HG SER A 8 5.877 9.046 -26.692 1.00 0.00 H new ATOM 77 N THR A 9 4.141 6.211 -28.778 1.00 0.00 N ATOM 78 CA THR A 9 3.035 5.333 -28.420 1.00 0.00 C ATOM 79 C THR A 9 2.530 5.630 -27.013 1.00 0.00 C ATOM 80 O THR A 9 3.198 5.324 -26.026 1.00 0.00 O ATOM 81 CB THR A 9 3.445 3.850 -28.504 1.00 0.00 C ATOM 82 OG1 THR A 9 3.947 3.554 -29.811 1.00 0.00 O ATOM 83 CG2 THR A 9 2.263 2.944 -28.192 1.00 0.00 C ATOM 0 H THR A 9 5.054 5.893 -28.453 1.00 0.00 H new ATOM 0 HA THR A 9 2.236 5.523 -29.137 1.00 0.00 H new ATOM 0 HB THR A 9 4.226 3.669 -27.766 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.207 2.610 -29.856 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.576 1.902 -28.257 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.901 3.152 -27.185 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.464 3.128 -28.910 1.00 0.00 H new ATOM 91 N ALA A 10 1.346 6.229 -26.928 1.00 0.00 N ATOM 92 CA ALA A 10 0.750 6.565 -25.641 1.00 0.00 C ATOM 93 C ALA A 10 -0.769 6.641 -25.743 1.00 0.00 C ATOM 94 O ALA A 10 -1.311 7.204 -26.694 1.00 0.00 O ATOM 95 CB ALA A 10 1.314 7.881 -25.127 1.00 0.00 C ATOM 0 H ALA A 10 0.781 6.491 -27.736 1.00 0.00 H new ATOM 0 HA ALA A 10 1.001 5.774 -24.934 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.860 8.120 -24.165 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.394 7.792 -25.007 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.092 8.675 -25.840 1.00 0.00 H new ATOM 101 N THR A 11 -1.453 6.071 -24.756 1.00 0.00 N ATOM 102 CA THR A 11 -2.910 6.073 -24.735 1.00 0.00 C ATOM 103 C THR A 11 -3.441 6.715 -23.458 1.00 0.00 C ATOM 104 O THR A 11 -4.612 7.085 -23.381 1.00 0.00 O ATOM 105 CB THR A 11 -3.476 4.644 -24.851 1.00 0.00 C ATOM 106 OG1 THR A 11 -4.903 4.672 -24.738 1.00 0.00 O ATOM 107 CG2 THR A 11 -2.894 3.743 -23.773 1.00 0.00 C ATOM 0 H THR A 11 -1.021 5.602 -23.960 1.00 0.00 H new ATOM 0 HA THR A 11 -3.237 6.657 -25.595 1.00 0.00 H new ATOM 0 HB THR A 11 -3.197 4.244 -25.826 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.169 5.399 -24.137 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.308 2.740 -23.875 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.810 3.701 -23.880 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.146 4.142 -22.790 1.00 0.00 H new ATOM 115 N GLN A 12 -2.572 6.845 -22.461 1.00 0.00 N ATOM 116 CA GLN A 12 -2.955 7.443 -21.188 1.00 0.00 C ATOM 117 C GLN A 12 -2.375 8.846 -21.049 1.00 0.00 C ATOM 118 O GLN A 12 -1.205 9.015 -20.705 1.00 0.00 O ATOM 119 CB GLN A 12 -2.484 6.567 -20.026 1.00 0.00 C ATOM 120 CG GLN A 12 -1.103 5.968 -20.237 1.00 0.00 C ATOM 121 CD GLN A 12 -1.144 4.658 -20.999 1.00 0.00 C ATOM 122 OE1 GLN A 12 -0.348 4.563 -22.058 1.00 0.00 O flip ATOM 123 NE2 GLN A 12 -1.884 3.741 -20.641 1.00 0.00 N flip ATOM 0 H GLN A 12 -1.599 6.544 -22.510 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.042 7.515 -21.162 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.477 7.162 -19.113 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.202 5.761 -19.876 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.482 6.680 -20.780 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.630 5.806 -19.269 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.479 3.857 -19.821 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.901 2.866 -21.165 1.00 0.00 H new ATOM 132 N LYS A 13 -3.200 9.852 -21.320 1.00 0.00 N ATOM 133 CA LYS A 13 -2.770 11.242 -21.225 1.00 0.00 C ATOM 134 C LYS A 13 -3.467 11.949 -20.067 1.00 0.00 C ATOM 135 O LYS A 13 -3.904 13.094 -20.198 1.00 0.00 O ATOM 136 CB LYS A 13 -3.060 11.978 -22.535 1.00 0.00 C ATOM 137 CG LYS A 13 -4.518 11.916 -22.958 1.00 0.00 C ATOM 138 CD LYS A 13 -4.743 12.613 -24.289 1.00 0.00 C ATOM 139 CE LYS A 13 -4.537 11.661 -25.458 1.00 0.00 C ATOM 140 NZ LYS A 13 -5.284 12.101 -26.669 1.00 0.00 N ATOM 0 H LYS A 13 -4.171 9.730 -21.607 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.696 11.252 -21.040 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.765 13.022 -22.428 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.443 11.552 -23.326 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.832 10.875 -23.034 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.140 12.381 -22.193 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.754 13.019 -24.322 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.058 13.456 -24.380 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.474 11.596 -25.691 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.863 10.661 -25.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.118 11.427 -27.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.301 12.139 -26.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.955 13.045 -26.956 1.00 0.00 H new ATOM 154 N LEU A 14 -3.567 11.263 -18.934 1.00 0.00 N ATOM 155 CA LEU A 14 -4.210 11.826 -17.752 1.00 0.00 C ATOM 156 C LEU A 14 -3.882 11.004 -16.510 1.00 0.00 C ATOM 157 O LEU A 14 -3.959 9.775 -16.528 1.00 0.00 O ATOM 158 CB LEU A 14 -5.726 11.888 -17.952 1.00 0.00 C ATOM 159 CG LEU A 14 -6.483 10.575 -17.748 1.00 0.00 C ATOM 160 CD1 LEU A 14 -7.984 10.819 -17.753 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.101 9.566 -18.821 1.00 0.00 C ATOM 0 H LEU A 14 -3.211 10.315 -18.809 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.828 12.836 -17.607 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.133 12.630 -17.265 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.925 12.246 -18.962 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.205 10.165 -16.777 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.507 9.874 -17.607 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.244 11.506 -16.947 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.279 11.253 -18.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.650 8.638 -18.660 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.349 9.968 -19.803 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.030 9.368 -18.770 1.00 0.00 H new ATOM 173 N LEU A 15 -3.519 11.690 -15.432 1.00 0.00 N ATOM 174 CA LEU A 15 -3.182 11.024 -14.179 1.00 0.00 C ATOM 175 C LEU A 15 -4.376 10.245 -13.638 1.00 0.00 C ATOM 176 O LEU A 15 -5.526 10.644 -13.825 1.00 0.00 O ATOM 177 CB LEU A 15 -2.714 12.048 -13.144 1.00 0.00 C ATOM 178 CG LEU A 15 -3.816 12.747 -12.346 1.00 0.00 C ATOM 179 CD1 LEU A 15 -3.271 13.266 -11.025 1.00 0.00 C ATOM 180 CD2 LEU A 15 -4.424 13.882 -13.158 1.00 0.00 C ATOM 0 H LEU A 15 -3.451 12.707 -15.400 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.373 10.321 -14.376 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.047 11.547 -12.442 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.125 12.809 -13.656 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.600 12.020 -12.131 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.069 13.760 -10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.884 12.433 -10.438 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.468 13.978 -11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.206 14.368 -12.575 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.650 14.609 -13.404 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.852 13.483 -14.078 1.00 0.00 H new ATOM 192 N ARG A 16 -4.096 9.134 -12.964 1.00 0.00 N ATOM 193 CA ARG A 16 -5.147 8.300 -12.394 1.00 0.00 C ATOM 194 C ARG A 16 -4.815 7.913 -10.957 1.00 0.00 C ATOM 195 O ARG A 16 -3.685 8.090 -10.499 1.00 0.00 O ATOM 196 CB ARG A 16 -5.344 7.041 -13.241 1.00 0.00 C ATOM 197 CG ARG A 16 -6.029 7.303 -14.572 1.00 0.00 C ATOM 198 CD ARG A 16 -6.678 6.043 -15.122 1.00 0.00 C ATOM 199 NE ARG A 16 -6.779 6.069 -16.578 1.00 0.00 N ATOM 200 CZ ARG A 16 -5.745 5.879 -17.390 1.00 0.00 C ATOM 201 NH1 ARG A 16 -4.539 5.648 -16.889 1.00 0.00 N ATOM 202 NH2 ARG A 16 -5.916 5.918 -18.705 1.00 0.00 N ATOM 0 H ARG A 16 -3.150 8.791 -12.799 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.072 8.876 -12.392 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.373 6.582 -13.426 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.934 6.321 -12.674 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.785 8.078 -14.447 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.300 7.681 -15.289 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.098 5.173 -14.815 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.673 5.931 -14.692 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.694 6.243 -16.995 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.404 5.616 -15.878 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.746 5.502 -17.514 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.842 6.094 -19.094 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.121 5.772 -19.327 1.00 0.00 H new ATOM 216 N THR A 17 -5.806 7.383 -10.247 1.00 0.00 N ATOM 217 CA THR A 17 -5.620 6.972 -8.861 1.00 0.00 C ATOM 218 C THR A 17 -5.663 5.454 -8.727 1.00 0.00 C ATOM 219 O THR A 17 -5.184 4.895 -7.741 1.00 0.00 O ATOM 220 CB THR A 17 -6.694 7.588 -7.944 1.00 0.00 C ATOM 221 OG1 THR A 17 -6.502 7.141 -6.597 1.00 0.00 O ATOM 222 CG2 THR A 17 -8.090 7.209 -8.415 1.00 0.00 C ATOM 0 H THR A 17 -6.747 7.228 -10.610 1.00 0.00 H new ATOM 0 HA THR A 17 -4.639 7.333 -8.553 1.00 0.00 H new ATOM 0 HB THR A 17 -6.596 8.673 -7.984 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.187 7.538 -6.020 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.831 7.655 -7.752 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.243 7.575 -9.430 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.197 6.124 -8.401 1.00 0.00 H new ATOM 230 N ASP A 18 -6.239 4.793 -9.725 1.00 0.00 N ATOM 231 CA ASP A 18 -6.343 3.339 -9.720 1.00 0.00 C ATOM 232 C ASP A 18 -5.205 2.710 -10.518 1.00 0.00 C ATOM 233 O ASP A 18 -5.424 1.806 -11.326 1.00 0.00 O ATOM 234 CB ASP A 18 -7.690 2.900 -10.296 1.00 0.00 C ATOM 235 CG ASP A 18 -7.913 3.415 -11.704 1.00 0.00 C ATOM 236 OD1 ASP A 18 -7.572 4.587 -11.967 1.00 0.00 O ATOM 237 OD2 ASP A 18 -8.430 2.647 -12.542 1.00 0.00 O ATOM 0 H ASP A 18 -6.641 5.242 -10.548 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.270 2.998 -8.687 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.744 1.811 -10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.492 3.258 -9.650 1.00 0.00 H new ATOM 242 N LYS A 19 -3.989 3.194 -10.288 1.00 0.00 N ATOM 243 CA LYS A 19 -2.816 2.680 -10.984 1.00 0.00 C ATOM 244 C LYS A 19 -1.618 2.597 -10.044 1.00 0.00 C ATOM 245 O LYS A 19 -1.238 3.587 -9.416 1.00 0.00 O ATOM 246 CB LYS A 19 -2.477 3.571 -12.181 1.00 0.00 C ATOM 247 CG LYS A 19 -3.176 3.156 -13.465 1.00 0.00 C ATOM 248 CD LYS A 19 -2.359 2.135 -14.239 1.00 0.00 C ATOM 249 CE LYS A 19 -3.244 1.267 -15.121 1.00 0.00 C ATOM 250 NZ LYS A 19 -3.461 1.879 -16.461 1.00 0.00 N ATOM 0 H LYS A 19 -3.790 3.942 -9.624 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.047 1.676 -11.339 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.748 4.600 -11.946 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.399 3.554 -12.342 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.154 2.737 -13.229 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.347 4.034 -14.088 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.621 2.649 -14.855 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.808 1.504 -13.542 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.787 0.285 -15.240 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.206 1.114 -14.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.069 1.258 -17.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.921 2.805 -16.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.545 2.002 -16.939 1.00 0.00 H new ATOM 264 N LEU A 20 -1.025 1.412 -9.952 1.00 0.00 N ATOM 265 CA LEU A 20 0.132 1.200 -9.089 1.00 0.00 C ATOM 266 C LEU A 20 1.361 0.821 -9.909 1.00 0.00 C ATOM 267 O LEU A 20 1.287 -0.023 -10.802 1.00 0.00 O ATOM 268 CB LEU A 20 -0.166 0.107 -8.062 1.00 0.00 C ATOM 269 CG LEU A 20 -0.790 0.574 -6.746 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.620 -0.538 -6.124 1.00 0.00 C ATOM 271 CD2 LEU A 20 0.289 1.041 -5.780 1.00 0.00 C ATOM 0 H LEU A 20 -1.326 0.583 -10.464 1.00 0.00 H new ATOM 0 HA LEU A 20 0.340 2.134 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.835 -0.621 -8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.764 -0.414 -7.835 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.449 1.416 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.056 -0.187 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.417 -0.825 -6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.983 -1.400 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.173 1.370 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.974 0.218 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.840 1.870 -6.224 1.00 0.00 H new ATOM 283 N GLU A 21 2.491 1.450 -9.598 1.00 0.00 N ATOM 284 CA GLU A 21 3.736 1.177 -10.306 1.00 0.00 C ATOM 285 C GLU A 21 4.340 -0.149 -9.853 1.00 0.00 C ATOM 286 O GLU A 21 4.695 -0.315 -8.686 1.00 0.00 O ATOM 287 CB GLU A 21 4.737 2.311 -10.078 1.00 0.00 C ATOM 288 CG GLU A 21 4.608 3.447 -11.079 1.00 0.00 C ATOM 289 CD GLU A 21 5.588 4.573 -10.812 1.00 0.00 C ATOM 290 OE1 GLU A 21 6.722 4.282 -10.377 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.220 5.745 -11.037 1.00 0.00 O ATOM 0 H GLU A 21 2.569 2.151 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 21 3.512 1.109 -11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.601 2.707 -9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.748 1.907 -10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.770 3.060 -12.085 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.592 3.840 -11.048 1.00 0.00 H new ATOM 298 N VAL A 22 4.454 -1.091 -10.784 1.00 0.00 N ATOM 299 CA VAL A 22 5.015 -2.402 -10.482 1.00 0.00 C ATOM 300 C VAL A 22 6.497 -2.299 -10.139 1.00 0.00 C ATOM 301 O VAL A 22 7.252 -1.590 -10.805 1.00 0.00 O ATOM 302 CB VAL A 22 4.839 -3.374 -11.663 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.694 -4.616 -11.465 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.374 -3.747 -11.831 1.00 0.00 C ATOM 0 H VAL A 22 4.165 -0.970 -11.755 1.00 0.00 H new ATOM 0 HA VAL A 22 4.471 -2.788 -9.620 1.00 0.00 H new ATOM 0 HB VAL A 22 5.171 -2.876 -12.574 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.556 -5.291 -12.310 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.743 -4.328 -11.398 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.396 -5.120 -10.546 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.268 -4.435 -12.670 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.014 -4.227 -10.921 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.789 -2.847 -12.023 1.00 0.00 H new ATOM 314 N CYS A 23 6.908 -3.012 -9.096 1.00 0.00 N ATOM 315 CA CYS A 23 8.300 -3.002 -8.663 1.00 0.00 C ATOM 316 C CYS A 23 9.192 -3.706 -9.682 1.00 0.00 C ATOM 317 O CYS A 23 8.804 -4.717 -10.267 1.00 0.00 O ATOM 318 CB CYS A 23 8.437 -3.678 -7.297 1.00 0.00 C ATOM 319 SG CYS A 23 9.781 -3.008 -6.267 1.00 0.00 S ATOM 0 H CYS A 23 6.296 -3.604 -8.535 1.00 0.00 H new ATOM 0 HA CYS A 23 8.621 -1.963 -8.581 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.495 -3.577 -6.757 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.606 -4.744 -7.447 1.00 0.00 H new ATOM 324 N ARG A 24 10.387 -3.163 -9.889 1.00 0.00 N ATOM 325 CA ARG A 24 11.333 -3.738 -10.838 1.00 0.00 C ATOM 326 C ARG A 24 12.233 -4.764 -10.155 1.00 0.00 C ATOM 327 O ARG A 24 12.733 -5.688 -10.795 1.00 0.00 O ATOM 328 CB ARG A 24 12.186 -2.637 -11.470 1.00 0.00 C ATOM 329 CG ARG A 24 11.379 -1.618 -12.258 1.00 0.00 C ATOM 330 CD ARG A 24 12.281 -0.677 -13.041 1.00 0.00 C ATOM 331 NE ARG A 24 12.824 0.387 -12.202 1.00 0.00 N ATOM 332 CZ ARG A 24 13.909 0.247 -11.448 1.00 0.00 C ATOM 333 NH1 ARG A 24 14.564 -0.906 -11.430 1.00 0.00 N ATOM 334 NH2 ARG A 24 14.342 1.262 -10.711 1.00 0.00 N ATOM 0 H ARG A 24 10.723 -2.326 -9.413 1.00 0.00 H new ATOM 0 HA ARG A 24 10.764 -4.242 -11.619 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.739 -2.121 -10.685 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.923 -3.094 -12.131 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.708 -2.135 -12.944 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.754 -1.041 -11.576 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.101 -1.244 -13.482 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.718 -0.237 -13.864 1.00 0.00 H new ATOM 0 HE ARG A 24 12.344 1.287 -12.194 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.235 -1.688 -11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.397 -1.011 -10.850 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.842 2.151 -10.723 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.175 1.153 -10.133 1.00 0.00 H new ATOM 348 N GLU A 25 12.435 -4.592 -8.852 1.00 0.00 N ATOM 349 CA GLU A 25 13.275 -5.502 -8.083 1.00 0.00 C ATOM 350 C GLU A 25 12.546 -6.814 -7.807 1.00 0.00 C ATOM 351 O GLU A 25 13.057 -7.895 -8.101 1.00 0.00 O ATOM 352 CB GLU A 25 13.695 -4.852 -6.763 1.00 0.00 C ATOM 353 CG GLU A 25 14.889 -3.922 -6.895 1.00 0.00 C ATOM 354 CD GLU A 25 15.149 -3.123 -5.633 1.00 0.00 C ATOM 355 OE1 GLU A 25 15.397 -3.745 -4.579 1.00 0.00 O ATOM 356 OE2 GLU A 25 15.104 -1.877 -5.700 1.00 0.00 O ATOM 0 H GLU A 25 12.028 -3.831 -8.308 1.00 0.00 H new ATOM 0 HA GLU A 25 14.166 -5.718 -8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.852 -4.292 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.932 -5.634 -6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.775 -4.508 -7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.721 -3.237 -7.726 1.00 0.00 H new ATOM 363 N PHE A 26 11.348 -6.711 -7.241 1.00 0.00 N ATOM 364 CA PHE A 26 10.549 -7.888 -6.923 1.00 0.00 C ATOM 365 C PHE A 26 10.548 -8.875 -8.087 1.00 0.00 C ATOM 366 O PHE A 26 10.795 -10.066 -7.904 1.00 0.00 O ATOM 367 CB PHE A 26 9.113 -7.480 -6.585 1.00 0.00 C ATOM 368 CG PHE A 26 8.132 -8.614 -6.669 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.509 -8.920 -7.868 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.832 -9.373 -5.549 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.605 -9.963 -7.949 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.930 -10.417 -5.625 1.00 0.00 C ATOM 373 CZ PHE A 26 6.315 -10.712 -6.826 1.00 0.00 C ATOM 0 H PHE A 26 10.909 -5.824 -6.993 1.00 0.00 H new ATOM 0 HA PHE A 26 10.995 -8.375 -6.056 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.090 -7.064 -5.578 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.799 -6.688 -7.265 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.732 -8.337 -8.749 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.308 -9.146 -4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.126 -10.192 -8.890 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.706 -11.002 -4.745 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.609 -11.527 -6.887 1.00 0.00 H new ATOM 383 N GLN A 27 10.267 -8.369 -9.284 1.00 0.00 N ATOM 384 CA GLN A 27 10.232 -9.206 -10.477 1.00 0.00 C ATOM 385 C GLN A 27 11.489 -10.064 -10.577 1.00 0.00 C ATOM 386 O GLN A 27 11.410 -11.282 -10.742 1.00 0.00 O ATOM 387 CB GLN A 27 10.091 -8.339 -11.730 1.00 0.00 C ATOM 388 CG GLN A 27 8.825 -7.497 -11.748 1.00 0.00 C ATOM 389 CD GLN A 27 8.785 -6.528 -12.913 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.430 -5.480 -12.886 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.026 -6.875 -13.945 1.00 0.00 N ATOM 0 H GLN A 27 10.061 -7.384 -9.453 1.00 0.00 H new ATOM 0 HA GLN A 27 9.368 -9.867 -10.402 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.956 -7.681 -11.805 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.102 -8.982 -12.610 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.957 -8.154 -11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.751 -6.940 -10.814 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.508 -7.754 -13.925 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.961 -6.263 -14.758 1.00 0.00 H new ATOM 400 N ARG A 28 12.648 -9.421 -10.477 1.00 0.00 N ATOM 401 CA ARG A 28 13.922 -10.126 -10.558 1.00 0.00 C ATOM 402 C ARG A 28 14.292 -10.736 -9.210 1.00 0.00 C ATOM 403 O ARG A 28 15.403 -11.232 -9.025 1.00 0.00 O ATOM 404 CB ARG A 28 15.027 -9.174 -11.020 1.00 0.00 C ATOM 405 CG ARG A 28 15.297 -8.037 -10.047 1.00 0.00 C ATOM 406 CD ARG A 28 16.286 -7.036 -10.622 1.00 0.00 C ATOM 407 NE ARG A 28 17.665 -7.506 -10.517 1.00 0.00 N ATOM 408 CZ ARG A 28 18.251 -8.275 -11.428 1.00 0.00 C ATOM 409 NH1 ARG A 28 17.581 -8.657 -12.507 1.00 0.00 N ATOM 410 NH2 ARG A 28 19.509 -8.662 -11.261 1.00 0.00 N ATOM 0 H ARG A 28 12.731 -8.414 -10.340 1.00 0.00 H new ATOM 0 HA ARG A 28 13.818 -10.931 -11.285 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.946 -9.741 -11.167 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.753 -8.755 -11.988 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.362 -7.530 -9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.688 -8.441 -9.113 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.045 -6.849 -11.669 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.186 -6.086 -10.098 1.00 0.00 H new ATOM 0 HE ARG A 28 18.208 -7.228 -9.699 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.614 -8.360 -12.638 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.033 -9.247 -13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.027 -8.369 -10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.958 -9.252 -11.961 1.00 0.00 H new ATOM 424 N GLY A 29 13.352 -10.696 -8.270 1.00 0.00 N ATOM 425 CA GLY A 29 13.599 -11.248 -6.950 1.00 0.00 C ATOM 426 C GLY A 29 14.732 -10.545 -6.230 1.00 0.00 C ATOM 427 O GLY A 29 15.657 -11.189 -5.737 1.00 0.00 O ATOM 0 H GLY A 29 12.425 -10.292 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.691 -11.172 -6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.833 -12.309 -7.041 1.00 0.00 H new ATOM 431 N ASN A 30 14.661 -9.219 -6.172 1.00 0.00 N ATOM 432 CA ASN A 30 15.691 -8.427 -5.509 1.00 0.00 C ATOM 433 C ASN A 30 15.090 -7.577 -4.394 1.00 0.00 C ATOM 434 O ASN A 30 15.775 -7.212 -3.438 1.00 0.00 O ATOM 435 CB ASN A 30 16.405 -7.529 -6.521 1.00 0.00 C ATOM 436 CG ASN A 30 17.688 -6.940 -5.968 1.00 0.00 C ATOM 437 OD1 ASN A 30 17.564 -6.119 -4.932 1.00 0.00 O flip ATOM 438 ND2 ASN A 30 18.778 -7.221 -6.467 1.00 0.00 N flip ATOM 0 H ASN A 30 13.902 -8.671 -6.576 1.00 0.00 H new ATOM 0 HA ASN A 30 16.414 -9.114 -5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.630 -8.105 -7.418 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.737 -6.721 -6.820 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.826 -7.857 -7.263 1.00 0.00 H new ATOM 0 HD22 ASN A 30 19.633 -6.818 -6.084 1.00 0.00 H new ATOM 445 N CYS A 31 13.805 -7.265 -4.523 1.00 0.00 N ATOM 446 CA CYS A 31 13.109 -6.458 -3.527 1.00 0.00 C ATOM 447 C CYS A 31 13.083 -7.165 -2.175 1.00 0.00 C ATOM 448 O CYS A 31 12.671 -8.321 -2.076 1.00 0.00 O ATOM 449 CB CYS A 31 11.681 -6.161 -3.988 1.00 0.00 C ATOM 450 SG CYS A 31 10.922 -4.718 -3.175 1.00 0.00 S ATOM 0 H CYS A 31 13.224 -7.559 -5.308 1.00 0.00 H new ATOM 0 HA CYS A 31 13.650 -5.518 -3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.685 -5.997 -5.066 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.061 -7.038 -3.801 1.00 0.00 H new ATOM 455 N ALA A 32 13.526 -6.463 -1.138 1.00 0.00 N ATOM 456 CA ALA A 32 13.551 -7.022 0.208 1.00 0.00 C ATOM 457 C ALA A 32 12.376 -6.513 1.036 1.00 0.00 C ATOM 458 O ALA A 32 11.984 -7.136 2.023 1.00 0.00 O ATOM 459 CB ALA A 32 14.867 -6.688 0.895 1.00 0.00 C ATOM 0 H ALA A 32 13.873 -5.506 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 32 13.462 -8.105 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.871 -7.112 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.694 -7.107 0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.980 -5.606 0.958 1.00 0.00 H new ATOM 465 N ARG A 33 11.818 -5.378 0.628 1.00 0.00 N ATOM 466 CA ARG A 33 10.689 -4.785 1.334 1.00 0.00 C ATOM 467 C ARG A 33 9.416 -5.594 1.101 1.00 0.00 C ATOM 468 O ARG A 33 8.389 -5.349 1.731 1.00 0.00 O ATOM 469 CB ARG A 33 10.478 -3.339 0.879 1.00 0.00 C ATOM 470 CG ARG A 33 11.504 -2.368 1.440 1.00 0.00 C ATOM 471 CD ARG A 33 11.215 -0.940 1.006 1.00 0.00 C ATOM 472 NE ARG A 33 12.247 -0.011 1.459 1.00 0.00 N ATOM 473 CZ ARG A 33 12.391 0.367 2.724 1.00 0.00 C ATOM 474 NH1 ARG A 33 11.575 -0.103 3.657 1.00 0.00 N ATOM 475 NH2 ARG A 33 13.354 1.216 3.058 1.00 0.00 N ATOM 0 H ARG A 33 12.129 -4.851 -0.188 1.00 0.00 H new ATOM 0 HA ARG A 33 10.914 -4.794 2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.512 -3.301 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.481 -3.015 1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.504 -2.426 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.501 -2.656 1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.142 -0.899 -0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.248 -0.629 1.402 1.00 0.00 H new ATOM 0 HE ARG A 33 12.892 0.368 0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.834 -0.757 3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.688 0.189 4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.984 1.579 2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.464 1.506 4.030 1.00 0.00 H new ATOM 489 N GLY A 34 9.493 -6.559 0.190 1.00 0.00 N ATOM 490 CA GLY A 34 8.341 -7.388 -0.111 1.00 0.00 C ATOM 491 C GLY A 34 7.085 -6.573 -0.346 1.00 0.00 C ATOM 492 O GLY A 34 7.118 -5.344 -0.300 1.00 0.00 O ATOM 0 H GLY A 34 10.333 -6.781 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.551 -7.989 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.171 -8.082 0.713 1.00 0.00 H new ATOM 496 N GLU A 35 5.975 -7.259 -0.601 1.00 0.00 N ATOM 497 CA GLU A 35 4.704 -6.589 -0.847 1.00 0.00 C ATOM 498 C GLU A 35 4.028 -6.204 0.466 1.00 0.00 C ATOM 499 O GLU A 35 2.860 -5.816 0.486 1.00 0.00 O ATOM 500 CB GLU A 35 3.777 -7.490 -1.665 1.00 0.00 C ATOM 501 CG GLU A 35 2.377 -6.925 -1.841 1.00 0.00 C ATOM 502 CD GLU A 35 1.643 -7.541 -3.016 1.00 0.00 C ATOM 503 OE1 GLU A 35 1.138 -8.673 -2.874 1.00 0.00 O ATOM 504 OE2 GLU A 35 1.573 -6.888 -4.079 1.00 0.00 O ATOM 0 H GLU A 35 5.931 -8.277 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 35 4.906 -5.679 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.219 -7.655 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.708 -8.463 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.804 -7.095 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.440 -5.846 -1.982 1.00 0.00 H new ATOM 511 N THR A 36 4.773 -6.314 1.562 1.00 0.00 N ATOM 512 CA THR A 36 4.247 -5.979 2.879 1.00 0.00 C ATOM 513 C THR A 36 4.857 -4.684 3.402 1.00 0.00 C ATOM 514 O THR A 36 4.242 -3.973 4.197 1.00 0.00 O ATOM 515 CB THR A 36 4.516 -7.106 3.894 1.00 0.00 C ATOM 516 OG1 THR A 36 5.911 -7.431 3.907 1.00 0.00 O ATOM 517 CG2 THR A 36 3.704 -8.347 3.553 1.00 0.00 C ATOM 0 H THR A 36 5.742 -6.632 1.563 1.00 0.00 H new ATOM 0 HA THR A 36 3.171 -5.850 2.766 1.00 0.00 H new ATOM 0 HB THR A 36 4.216 -6.755 4.881 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.074 -8.147 4.556 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.911 -9.129 4.284 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.642 -8.104 3.573 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.977 -8.699 2.558 1.00 0.00 H new ATOM 525 N ASP A 37 6.070 -4.382 2.951 1.00 0.00 N ATOM 526 CA ASP A 37 6.762 -3.170 3.372 1.00 0.00 C ATOM 527 C ASP A 37 7.047 -2.264 2.178 1.00 0.00 C ATOM 528 O ASP A 37 7.340 -1.079 2.340 1.00 0.00 O ATOM 529 CB ASP A 37 8.070 -3.525 4.081 1.00 0.00 C ATOM 530 CG ASP A 37 8.723 -2.320 4.729 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.043 -1.628 5.515 1.00 0.00 O ATOM 532 OD2 ASP A 37 9.914 -2.068 4.449 1.00 0.00 O ATOM 0 H ASP A 37 6.594 -4.960 2.294 1.00 0.00 H new ATOM 0 HA ASP A 37 6.115 -2.634 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.874 -4.281 4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.761 -3.967 3.363 1.00 0.00 H new ATOM 537 N CYS A 38 6.958 -2.829 0.979 1.00 0.00 N ATOM 538 CA CYS A 38 7.207 -2.073 -0.243 1.00 0.00 C ATOM 539 C CYS A 38 5.943 -1.352 -0.704 1.00 0.00 C ATOM 540 O CYS A 38 4.843 -1.900 -0.632 1.00 0.00 O ATOM 541 CB CYS A 38 7.709 -3.003 -1.349 1.00 0.00 C ATOM 542 SG CYS A 38 8.351 -2.135 -2.816 1.00 0.00 S ATOM 0 H CYS A 38 6.715 -3.808 0.827 1.00 0.00 H new ATOM 0 HA CYS A 38 7.972 -1.327 -0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.495 -3.640 -0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.894 -3.658 -1.656 1.00 0.00 H new ATOM 547 N ARG A 39 6.110 -0.122 -1.178 1.00 0.00 N ATOM 548 CA ARG A 39 4.984 0.674 -1.650 1.00 0.00 C ATOM 549 C ARG A 39 4.723 0.423 -3.132 1.00 0.00 C ATOM 550 O ARG A 39 4.081 1.229 -3.806 1.00 0.00 O ATOM 551 CB ARG A 39 5.248 2.162 -1.412 1.00 0.00 C ATOM 552 CG ARG A 39 6.485 2.682 -2.127 1.00 0.00 C ATOM 553 CD ARG A 39 6.920 4.031 -1.576 1.00 0.00 C ATOM 554 NE ARG A 39 7.836 3.892 -0.448 1.00 0.00 N ATOM 555 CZ ARG A 39 9.147 3.722 -0.582 1.00 0.00 C ATOM 556 NH1 ARG A 39 9.692 3.670 -1.789 1.00 0.00 N ATOM 557 NH2 ARG A 39 9.915 3.603 0.494 1.00 0.00 N ATOM 0 H ARG A 39 7.014 0.345 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 39 4.099 0.375 -1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.381 2.734 -1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.357 2.337 -0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.298 1.964 -2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.279 2.772 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.403 4.607 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.041 4.595 -1.262 1.00 0.00 H new ATOM 0 HE ARG A 39 7.448 3.927 0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.105 3.761 -2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.699 3.539 -1.889 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.499 3.642 1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.921 3.472 0.390 1.00 0.00 H new ATOM 571 N PHE A 40 5.227 -0.700 -3.634 1.00 0.00 N ATOM 572 CA PHE A 40 5.050 -1.057 -5.037 1.00 0.00 C ATOM 573 C PHE A 40 4.305 -2.382 -5.171 1.00 0.00 C ATOM 574 O PHE A 40 4.608 -3.350 -4.474 1.00 0.00 O ATOM 575 CB PHE A 40 6.408 -1.148 -5.736 1.00 0.00 C ATOM 576 CG PHE A 40 7.118 0.171 -5.842 1.00 0.00 C ATOM 577 CD1 PHE A 40 7.753 0.721 -4.741 1.00 0.00 C ATOM 578 CD2 PHE A 40 7.151 0.860 -7.044 1.00 0.00 C ATOM 579 CE1 PHE A 40 8.406 1.935 -4.835 1.00 0.00 C ATOM 580 CE2 PHE A 40 7.803 2.075 -7.144 1.00 0.00 C ATOM 581 CZ PHE A 40 8.432 2.613 -6.039 1.00 0.00 C ATOM 0 H PHE A 40 5.761 -1.378 -3.090 1.00 0.00 H new ATOM 0 HA PHE A 40 4.456 -0.277 -5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.041 -1.849 -5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.266 -1.556 -6.737 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.738 0.195 -3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.662 0.443 -7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.896 2.354 -3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.820 2.603 -8.086 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.943 3.561 -6.115 1.00 0.00 H new ATOM 591 N ALA A 41 3.330 -2.417 -6.073 1.00 0.00 N ATOM 592 CA ALA A 41 2.543 -3.622 -6.300 1.00 0.00 C ATOM 593 C ALA A 41 3.403 -4.738 -6.883 1.00 0.00 C ATOM 594 O ALA A 41 3.994 -4.587 -7.953 1.00 0.00 O ATOM 595 CB ALA A 41 1.371 -3.321 -7.223 1.00 0.00 C ATOM 0 H ALA A 41 3.066 -1.624 -6.658 1.00 0.00 H new ATOM 0 HA ALA A 41 2.157 -3.960 -5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.792 -4.230 -7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.735 -2.561 -6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.745 -2.955 -8.179 1.00 0.00 H new ATOM 601 N HIS A 42 3.471 -5.859 -6.172 1.00 0.00 N ATOM 602 CA HIS A 42 4.261 -7.001 -6.618 1.00 0.00 C ATOM 603 C HIS A 42 3.366 -8.071 -7.239 1.00 0.00 C ATOM 604 O HIS A 42 2.719 -8.853 -6.543 1.00 0.00 O ATOM 605 CB HIS A 42 5.047 -7.594 -5.449 1.00 0.00 C ATOM 606 CG HIS A 42 6.145 -6.703 -4.953 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.072 -7.103 -4.014 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.463 -5.427 -5.274 1.00 0.00 C ATOM 609 CE1 HIS A 42 7.911 -6.111 -3.777 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.564 -5.082 -4.529 1.00 0.00 N ATOM 0 H HIS A 42 2.989 -6.001 -5.285 1.00 0.00 H new ATOM 0 HA HIS A 42 4.962 -6.652 -7.376 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.360 -7.802 -4.628 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.475 -8.548 -5.756 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.105 -8.021 -3.572 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.947 -4.797 -5.984 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.740 -6.137 -3.086 1.00 0.00 H new ATOM 618 N PRO A 43 3.328 -8.106 -8.579 1.00 0.00 N ATOM 619 CA PRO A 43 2.516 -9.075 -9.322 1.00 0.00 C ATOM 620 C PRO A 43 3.056 -10.496 -9.202 1.00 0.00 C ATOM 621 O PRO A 43 3.959 -10.763 -8.410 1.00 0.00 O ATOM 622 CB PRO A 43 2.617 -8.585 -10.769 1.00 0.00 C ATOM 623 CG PRO A 43 3.902 -7.834 -10.827 1.00 0.00 C ATOM 624 CD PRO A 43 4.074 -7.204 -9.472 1.00 0.00 C ATOM 0 HA PRO A 43 1.495 -9.126 -8.945 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.614 -9.419 -11.470 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.773 -7.946 -11.030 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.734 -8.500 -11.056 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.876 -7.076 -11.610 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.125 -7.138 -9.190 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.673 -6.191 -9.446 1.00 0.00 H new ATOM 632 N ALA A 44 2.496 -11.405 -9.994 1.00 0.00 N ATOM 633 CA ALA A 44 2.923 -12.799 -9.978 1.00 0.00 C ATOM 634 C ALA A 44 3.716 -13.144 -11.234 1.00 0.00 C ATOM 635 O ALA A 44 3.946 -14.317 -11.531 1.00 0.00 O ATOM 636 CB ALA A 44 1.719 -13.718 -9.842 1.00 0.00 C ATOM 0 H ALA A 44 1.746 -11.201 -10.654 1.00 0.00 H new ATOM 0 HA ALA A 44 3.575 -12.944 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.053 -14.756 -9.831 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.195 -13.496 -8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.045 -13.562 -10.685 1.00 0.00 H new ATOM 642 N ASP A 45 4.131 -12.118 -11.968 1.00 0.00 N ATOM 643 CA ASP A 45 4.899 -12.313 -13.192 1.00 0.00 C ATOM 644 C ASP A 45 4.007 -12.835 -14.315 1.00 0.00 C ATOM 645 O ASP A 45 4.440 -13.636 -15.143 1.00 0.00 O ATOM 646 CB ASP A 45 6.052 -13.287 -12.946 1.00 0.00 C ATOM 647 CG ASP A 45 7.137 -13.177 -13.999 1.00 0.00 C ATOM 648 OD1 ASP A 45 7.627 -12.051 -14.232 1.00 0.00 O ATOM 649 OD2 ASP A 45 7.498 -14.216 -14.590 1.00 0.00 O ATOM 0 H ASP A 45 3.948 -11.142 -11.736 1.00 0.00 H new ATOM 0 HA ASP A 45 5.307 -11.348 -13.494 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.483 -13.095 -11.963 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.666 -14.306 -12.931 1.00 0.00 H new ATOM 654 N SER A 46 2.760 -12.376 -14.335 1.00 0.00 N ATOM 655 CA SER A 46 1.806 -12.800 -15.353 1.00 0.00 C ATOM 656 C SER A 46 1.698 -11.760 -16.464 1.00 0.00 C ATOM 657 O SER A 46 2.404 -10.751 -16.457 1.00 0.00 O ATOM 658 CB SER A 46 0.431 -13.038 -14.726 1.00 0.00 C ATOM 659 OG SER A 46 -0.316 -13.979 -15.478 1.00 0.00 O ATOM 0 H SER A 46 2.387 -11.711 -13.658 1.00 0.00 H new ATOM 0 HA SER A 46 2.166 -13.733 -15.787 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.551 -13.397 -13.704 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.115 -12.096 -14.671 1.00 0.00 H new ATOM 0 HG SER A 46 -1.190 -14.115 -15.056 1.00 0.00 H new ATOM 665 N THR A 47 0.808 -12.012 -17.418 1.00 0.00 N ATOM 666 CA THR A 47 0.607 -11.100 -18.537 1.00 0.00 C ATOM 667 C THR A 47 -0.191 -9.873 -18.109 1.00 0.00 C ATOM 668 O THR A 47 -1.154 -9.487 -18.770 1.00 0.00 O ATOM 669 CB THR A 47 -0.123 -11.793 -19.703 1.00 0.00 C ATOM 670 OG1 THR A 47 -1.356 -12.357 -19.243 1.00 0.00 O ATOM 671 CG2 THR A 47 0.744 -12.884 -20.312 1.00 0.00 C ATOM 0 H THR A 47 0.214 -12.841 -17.438 1.00 0.00 H new ATOM 0 HA THR A 47 1.596 -10.788 -18.872 1.00 0.00 H new ATOM 0 HB THR A 47 -0.330 -11.046 -20.469 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.815 -12.794 -19.991 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.207 -13.359 -21.133 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.669 -12.446 -20.688 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.978 -13.630 -19.552 1.00 0.00 H new ATOM 679 N MET A 48 0.216 -9.266 -17.000 1.00 0.00 N ATOM 680 CA MET A 48 -0.461 -8.081 -16.485 1.00 0.00 C ATOM 681 C MET A 48 0.470 -6.873 -16.500 1.00 0.00 C ATOM 682 O MET A 48 0.019 -5.731 -16.597 1.00 0.00 O ATOM 683 CB MET A 48 -0.966 -8.333 -15.063 1.00 0.00 C ATOM 684 CG MET A 48 -2.189 -7.507 -14.697 1.00 0.00 C ATOM 685 SD MET A 48 -2.743 -7.798 -13.006 1.00 0.00 S ATOM 686 CE MET A 48 -4.488 -7.423 -13.152 1.00 0.00 C ATOM 0 H MET A 48 1.011 -9.574 -16.440 1.00 0.00 H new ATOM 0 HA MET A 48 -1.312 -7.869 -17.133 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.206 -9.391 -14.954 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.165 -8.113 -14.357 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.959 -6.449 -14.823 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.000 -7.741 -15.386 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.971 -7.557 -12.184 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.612 -6.391 -13.480 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.944 -8.092 -13.881 1.00 0.00 H new ATOM 696 N ILE A 49 1.769 -7.132 -16.403 1.00 0.00 N ATOM 697 CA ILE A 49 2.763 -6.065 -16.406 1.00 0.00 C ATOM 698 C ILE A 49 3.022 -5.560 -17.821 1.00 0.00 C ATOM 699 O ILE A 49 3.136 -6.346 -18.761 1.00 0.00 O ATOM 700 CB ILE A 49 4.094 -6.534 -15.788 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.906 -6.861 -14.306 1.00 0.00 C ATOM 702 CG2 ILE A 49 5.165 -5.469 -15.970 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.869 -7.909 -13.791 1.00 0.00 C ATOM 0 H ILE A 49 2.158 -8.071 -16.321 1.00 0.00 H new ATOM 0 HA ILE A 49 2.358 -5.254 -15.802 1.00 0.00 H new ATOM 0 HB ILE A 49 4.418 -7.439 -16.301 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.029 -5.949 -13.723 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.885 -7.207 -14.145 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.100 -5.814 -15.529 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.314 -5.280 -17.033 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.850 -4.548 -15.479 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.678 -8.090 -12.733 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.731 -8.835 -14.349 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.893 -7.557 -13.919 1.00 0.00 H new ATOM 715 N ASP A 50 3.115 -4.242 -17.964 1.00 0.00 N ATOM 716 CA ASP A 50 3.364 -3.631 -19.265 1.00 0.00 C ATOM 717 C ASP A 50 4.809 -3.152 -19.373 1.00 0.00 C ATOM 718 O ASP A 50 5.288 -2.392 -18.531 1.00 0.00 O ATOM 719 CB ASP A 50 2.408 -2.459 -19.492 1.00 0.00 C ATOM 720 CG ASP A 50 2.089 -2.248 -20.960 1.00 0.00 C ATOM 721 OD1 ASP A 50 2.292 -3.192 -21.752 1.00 0.00 O ATOM 722 OD2 ASP A 50 1.637 -1.140 -21.315 1.00 0.00 O ATOM 0 H ASP A 50 3.022 -3.577 -17.196 1.00 0.00 H new ATOM 0 HA ASP A 50 3.192 -4.386 -20.032 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.483 -2.637 -18.944 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.850 -1.549 -19.085 1.00 0.00 H new ATOM 727 N THR A 51 5.500 -3.604 -20.414 1.00 0.00 N ATOM 728 CA THR A 51 6.891 -3.225 -20.631 1.00 0.00 C ATOM 729 C THR A 51 6.993 -1.821 -21.217 1.00 0.00 C ATOM 730 O THR A 51 8.080 -1.362 -21.567 1.00 0.00 O ATOM 731 CB THR A 51 7.603 -4.215 -21.573 1.00 0.00 C ATOM 732 OG1 THR A 51 6.969 -4.211 -22.857 1.00 0.00 O ATOM 733 CG2 THR A 51 7.582 -5.622 -20.995 1.00 0.00 C ATOM 0 H THR A 51 5.119 -4.233 -21.121 1.00 0.00 H new ATOM 0 HA THR A 51 7.380 -3.246 -19.657 1.00 0.00 H new ATOM 0 HB THR A 51 8.641 -3.899 -21.680 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.428 -4.841 -23.451 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.090 -6.303 -21.677 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.091 -5.627 -20.031 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.550 -5.945 -20.862 1.00 0.00 H new ATOM 741 N SER A 52 5.854 -1.144 -21.320 1.00 0.00 N ATOM 742 CA SER A 52 5.815 0.207 -21.866 1.00 0.00 C ATOM 743 C SER A 52 5.796 1.245 -20.748 1.00 0.00 C ATOM 744 O SER A 52 6.431 2.295 -20.849 1.00 0.00 O ATOM 745 CB SER A 52 4.587 0.383 -22.762 1.00 0.00 C ATOM 746 OG SER A 52 4.762 -0.278 -24.003 1.00 0.00 O ATOM 0 H SER A 52 4.946 -1.509 -21.032 1.00 0.00 H new ATOM 0 HA SER A 52 6.715 0.357 -22.462 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.705 -0.012 -22.257 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.407 1.444 -22.934 1.00 0.00 H new ATOM 0 HG SER A 52 3.963 -0.152 -24.556 1.00 0.00 H new ATOM 752 N ASP A 53 5.062 0.943 -19.682 1.00 0.00 N ATOM 753 CA ASP A 53 4.960 1.848 -18.543 1.00 0.00 C ATOM 754 C ASP A 53 5.299 1.126 -17.243 1.00 0.00 C ATOM 755 O ASP A 53 5.806 1.731 -16.300 1.00 0.00 O ATOM 756 CB ASP A 53 3.553 2.441 -18.460 1.00 0.00 C ATOM 757 CG ASP A 53 3.270 3.420 -19.583 1.00 0.00 C ATOM 758 OD1 ASP A 53 3.414 3.031 -20.761 1.00 0.00 O ATOM 759 OD2 ASP A 53 2.903 4.576 -19.283 1.00 0.00 O ATOM 0 H ASP A 53 4.529 0.079 -19.583 1.00 0.00 H new ATOM 0 HA ASP A 53 5.678 2.655 -18.687 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.820 1.635 -18.491 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.431 2.946 -17.502 1.00 0.00 H new ATOM 764 N ASN A 54 5.013 -0.172 -17.201 1.00 0.00 N ATOM 765 CA ASN A 54 5.286 -0.976 -16.016 1.00 0.00 C ATOM 766 C ASN A 54 4.333 -0.613 -14.881 1.00 0.00 C ATOM 767 O ASN A 54 4.745 -0.475 -13.729 1.00 0.00 O ATOM 768 CB ASN A 54 6.734 -0.781 -15.563 1.00 0.00 C ATOM 769 CG ASN A 54 7.287 -2.000 -14.851 1.00 0.00 C ATOM 770 OD1 ASN A 54 7.076 -3.134 -15.283 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.999 -1.772 -13.754 1.00 0.00 N ATOM 0 H ASN A 54 4.593 -0.688 -17.974 1.00 0.00 H new ATOM 0 HA ASN A 54 5.132 -2.023 -16.275 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.356 -0.557 -16.430 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.791 0.081 -14.899 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.397 -2.553 -13.233 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.148 -0.816 -13.433 1.00 0.00 H new ATOM 778 N THR A 55 3.055 -0.460 -15.214 1.00 0.00 N ATOM 779 CA THR A 55 2.043 -0.113 -14.224 1.00 0.00 C ATOM 780 C THR A 55 0.899 -1.120 -14.231 1.00 0.00 C ATOM 781 O THR A 55 0.646 -1.781 -15.238 1.00 0.00 O ATOM 782 CB THR A 55 1.474 1.297 -14.474 1.00 0.00 C ATOM 783 OG1 THR A 55 1.045 1.418 -15.835 1.00 0.00 O ATOM 784 CG2 THR A 55 2.515 2.363 -14.167 1.00 0.00 C ATOM 0 H THR A 55 2.696 -0.571 -16.162 1.00 0.00 H new ATOM 0 HA THR A 55 2.533 -0.132 -13.250 1.00 0.00 H new ATOM 0 HB THR A 55 0.621 1.444 -13.811 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.683 2.316 -15.985 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.090 3.350 -14.351 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.817 2.287 -13.122 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.385 2.217 -14.807 1.00 0.00 H new ATOM 792 N VAL A 56 0.208 -1.231 -13.101 1.00 0.00 N ATOM 793 CA VAL A 56 -0.912 -2.156 -12.978 1.00 0.00 C ATOM 794 C VAL A 56 -2.194 -1.421 -12.605 1.00 0.00 C ATOM 795 O VAL A 56 -2.155 -0.343 -12.011 1.00 0.00 O ATOM 796 CB VAL A 56 -0.630 -3.242 -11.922 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.410 -4.227 -12.434 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.178 -2.608 -10.615 1.00 0.00 C ATOM 0 H VAL A 56 0.404 -0.692 -12.258 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.039 -2.630 -13.951 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.553 -3.790 -11.734 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.596 -4.987 -11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.043 -4.704 -13.343 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.337 -3.697 -12.652 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.017 -3.389 -9.880 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.733 -2.034 -10.785 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.960 -1.946 -10.242 1.00 0.00 H new ATOM 808 N THR A 57 -3.333 -2.011 -12.956 1.00 0.00 N ATOM 809 CA THR A 57 -4.628 -1.412 -12.659 1.00 0.00 C ATOM 810 C THR A 57 -5.099 -1.789 -11.259 1.00 0.00 C ATOM 811 O THR A 57 -4.814 -2.882 -10.770 1.00 0.00 O ATOM 812 CB THR A 57 -5.695 -1.845 -13.682 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.083 -2.097 -14.951 1.00 0.00 O ATOM 814 CG2 THR A 57 -6.765 -0.775 -13.833 1.00 0.00 C ATOM 0 H THR A 57 -3.384 -2.904 -13.447 1.00 0.00 H new ATOM 0 HA THR A 57 -4.498 -0.331 -12.717 1.00 0.00 H new ATOM 0 HB THR A 57 -6.166 -2.758 -13.319 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.768 -2.373 -15.595 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.507 -1.103 -14.560 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.249 -0.606 -12.871 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.306 0.152 -14.176 1.00 0.00 H new ATOM 822 N VAL A 58 -5.824 -0.877 -10.618 1.00 0.00 N ATOM 823 CA VAL A 58 -6.337 -1.115 -9.275 1.00 0.00 C ATOM 824 C VAL A 58 -7.861 -1.158 -9.268 1.00 0.00 C ATOM 825 O VAL A 58 -8.519 -0.353 -9.929 1.00 0.00 O ATOM 826 CB VAL A 58 -5.861 -0.029 -8.292 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.589 -0.156 -6.962 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.355 -0.113 -8.095 1.00 0.00 C ATOM 0 H VAL A 58 -6.069 0.033 -11.008 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.948 -2.081 -8.954 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.095 0.948 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.240 0.620 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.661 -0.042 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.388 -1.136 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.036 0.661 -7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.095 -1.092 -7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.854 0.032 -9.052 1.00 0.00 H new ATOM 838 N CYS A 59 -8.418 -2.102 -8.517 1.00 0.00 N ATOM 839 CA CYS A 59 -9.865 -2.252 -8.423 1.00 0.00 C ATOM 840 C CYS A 59 -10.493 -1.041 -7.739 1.00 0.00 C ATOM 841 O CYS A 59 -9.856 -0.376 -6.923 1.00 0.00 O ATOM 842 CB CYS A 59 -10.218 -3.526 -7.654 1.00 0.00 C ATOM 843 SG CYS A 59 -11.889 -4.164 -8.000 1.00 0.00 S ATOM 0 H CYS A 59 -7.888 -2.776 -7.964 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.265 -2.324 -9.435 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.488 -4.298 -7.897 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.130 -3.329 -6.586 1.00 0.00 H new ATOM 848 N MET A 60 -11.748 -0.762 -8.077 1.00 0.00 N ATOM 849 CA MET A 60 -12.463 0.367 -7.495 1.00 0.00 C ATOM 850 C MET A 60 -13.317 -0.081 -6.313 1.00 0.00 C ATOM 851 O MET A 60 -13.413 0.618 -5.304 1.00 0.00 O ATOM 852 CB MET A 60 -13.344 1.039 -8.550 1.00 0.00 C ATOM 853 CG MET A 60 -13.947 2.357 -8.089 1.00 0.00 C ATOM 854 SD MET A 60 -12.865 3.764 -8.407 1.00 0.00 S ATOM 855 CE MET A 60 -11.668 3.576 -7.087 1.00 0.00 C ATOM 0 H MET A 60 -12.290 -1.303 -8.751 1.00 0.00 H new ATOM 0 HA MET A 60 -11.726 1.086 -7.136 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.752 1.214 -9.448 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.149 0.358 -8.827 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.899 2.514 -8.596 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.160 2.301 -7.021 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.353 4.560 -6.739 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.120 3.026 -6.261 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.802 3.027 -7.457 1.00 0.00 H new ATOM 865 N ASP A 61 -13.935 -1.250 -6.445 1.00 0.00 N ATOM 866 CA ASP A 61 -14.780 -1.791 -5.387 1.00 0.00 C ATOM 867 C ASP A 61 -13.942 -2.214 -4.185 1.00 0.00 C ATOM 868 O ASP A 61 -14.138 -1.721 -3.074 1.00 0.00 O ATOM 869 CB ASP A 61 -15.585 -2.983 -5.908 1.00 0.00 C ATOM 870 CG ASP A 61 -16.640 -2.573 -6.916 1.00 0.00 C ATOM 871 OD1 ASP A 61 -16.423 -1.569 -7.627 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.684 -3.254 -6.994 1.00 0.00 O ATOM 0 H ASP A 61 -13.867 -1.841 -7.274 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.469 -1.008 -5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.907 -3.702 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.065 -3.488 -5.070 1.00 0.00 H new ATOM 877 N TYR A 62 -13.008 -3.131 -4.414 1.00 0.00 N ATOM 878 CA TYR A 62 -12.142 -3.623 -3.350 1.00 0.00 C ATOM 879 C TYR A 62 -11.637 -2.473 -2.483 1.00 0.00 C ATOM 880 O TYR A 62 -11.490 -2.615 -1.269 1.00 0.00 O ATOM 881 CB TYR A 62 -10.958 -4.390 -3.940 1.00 0.00 C ATOM 882 CG TYR A 62 -9.932 -4.806 -2.911 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.246 -5.730 -1.921 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.647 -4.277 -2.928 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.312 -6.112 -0.978 1.00 0.00 C ATOM 886 CE2 TYR A 62 -7.706 -4.654 -1.990 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.043 -5.572 -1.017 1.00 0.00 C ATOM 888 OH TYR A 62 -7.110 -5.951 -0.080 1.00 0.00 O ATOM 0 H TYR A 62 -12.832 -3.548 -5.328 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.726 -4.297 -2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.330 -5.279 -4.450 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.473 -3.769 -4.694 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.238 -6.157 -1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.379 -3.558 -3.688 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.574 -6.829 -0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.712 -4.233 -2.018 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.950 -5.210 0.540 1.00 0.00 H new ATOM 898 N ILE A 63 -11.372 -1.336 -3.117 1.00 0.00 N ATOM 899 CA ILE A 63 -10.885 -0.161 -2.405 1.00 0.00 C ATOM 900 C ILE A 63 -11.747 0.139 -1.184 1.00 0.00 C ATOM 901 O ILE A 63 -11.242 0.265 -0.068 1.00 0.00 O ATOM 902 CB ILE A 63 -10.858 1.079 -3.318 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.562 1.114 -4.130 1.00 0.00 C ATOM 904 CG2 ILE A 63 -11.006 2.348 -2.492 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.314 1.005 -3.282 1.00 0.00 C ATOM 0 H ILE A 63 -11.486 -1.203 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.869 -0.387 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.697 1.020 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.573 0.298 -4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.525 2.043 -4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.985 3.216 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.954 2.324 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.185 2.415 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.434 1.037 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.279 1.836 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.329 0.064 -2.733 1.00 0.00 H new ATOM 917 N LYS A 64 -13.053 0.251 -1.402 1.00 0.00 N ATOM 918 CA LYS A 64 -13.989 0.533 -0.320 1.00 0.00 C ATOM 919 C LYS A 64 -13.957 -0.573 0.729 1.00 0.00 C ATOM 920 O LYS A 64 -14.271 -0.345 1.896 1.00 0.00 O ATOM 921 CB LYS A 64 -15.408 0.687 -0.872 1.00 0.00 C ATOM 922 CG LYS A 64 -16.183 -0.618 -0.928 1.00 0.00 C ATOM 923 CD LYS A 64 -17.575 -0.416 -1.502 1.00 0.00 C ATOM 924 CE LYS A 64 -17.529 -0.182 -3.005 1.00 0.00 C ATOM 925 NZ LYS A 64 -18.870 -0.347 -3.633 1.00 0.00 N ATOM 0 H LYS A 64 -13.488 0.151 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.687 1.467 0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.955 1.398 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.355 1.112 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.639 -1.340 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.259 -1.040 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -18.189 -1.291 -1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -18.051 0.435 -1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.155 0.822 -3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.826 -0.880 -3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.797 -0.180 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.216 -1.313 -3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.535 0.336 -3.217 1.00 0.00 H new ATOM 939 N GLY A 65 -13.574 -1.774 0.305 1.00 0.00 N ATOM 940 CA GLY A 65 -13.506 -2.898 1.221 1.00 0.00 C ATOM 941 C GLY A 65 -14.395 -4.049 0.793 1.00 0.00 C ATOM 942 O GLY A 65 -14.306 -5.147 1.341 1.00 0.00 O ATOM 0 H GLY A 65 -13.310 -1.988 -0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.475 -3.245 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.798 -2.568 2.218 1.00 0.00 H new ATOM 946 N ARG A 66 -15.255 -3.797 -0.189 1.00 0.00 N ATOM 947 CA ARG A 66 -16.165 -4.820 -0.688 1.00 0.00 C ATOM 948 C ARG A 66 -16.073 -4.936 -2.207 1.00 0.00 C ATOM 949 O ARG A 66 -16.550 -4.067 -2.937 1.00 0.00 O ATOM 950 CB ARG A 66 -17.603 -4.498 -0.277 1.00 0.00 C ATOM 951 CG ARG A 66 -18.581 -5.632 -0.542 1.00 0.00 C ATOM 952 CD ARG A 66 -18.583 -6.642 0.594 1.00 0.00 C ATOM 953 NE ARG A 66 -19.155 -6.089 1.818 1.00 0.00 N ATOM 954 CZ ARG A 66 -19.683 -6.832 2.785 1.00 0.00 C ATOM 955 NH1 ARG A 66 -19.710 -8.152 2.670 1.00 0.00 N ATOM 956 NH2 ARG A 66 -20.184 -6.254 3.869 1.00 0.00 N ATOM 0 H ARG A 66 -15.340 -2.893 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.874 -5.774 -0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.622 -4.254 0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.935 -3.610 -0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -19.584 -5.226 -0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.317 -6.132 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.151 -7.523 0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.562 -6.971 0.788 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.149 -5.076 1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.325 -8.599 1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -20.116 -8.720 3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.164 -5.238 3.961 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.589 -6.825 4.611 1.00 0.00 H new ATOM 970 N CYS A 67 -15.454 -6.015 -2.676 1.00 0.00 N ATOM 971 CA CYS A 67 -15.298 -6.245 -4.107 1.00 0.00 C ATOM 972 C CYS A 67 -16.111 -7.455 -4.556 1.00 0.00 C ATOM 973 O CYS A 67 -15.702 -8.599 -4.358 1.00 0.00 O ATOM 974 CB CYS A 67 -13.822 -6.452 -4.453 1.00 0.00 C ATOM 975 SG CYS A 67 -13.535 -7.092 -6.134 1.00 0.00 S ATOM 0 H CYS A 67 -15.053 -6.743 -2.086 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.669 -5.365 -4.633 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.297 -5.503 -4.343 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.385 -7.144 -3.733 1.00 0.00 H new ATOM 980 N MET A 68 -17.265 -7.194 -5.161 1.00 0.00 N ATOM 981 CA MET A 68 -18.135 -8.262 -5.639 1.00 0.00 C ATOM 982 C MET A 68 -18.543 -8.023 -7.090 1.00 0.00 C ATOM 983 O MET A 68 -19.577 -8.514 -7.543 1.00 0.00 O ATOM 984 CB MET A 68 -19.381 -8.367 -4.758 1.00 0.00 C ATOM 985 CG MET A 68 -20.077 -9.716 -4.846 1.00 0.00 C ATOM 986 SD MET A 68 -19.056 -11.066 -4.223 1.00 0.00 S ATOM 987 CE MET A 68 -20.038 -12.483 -4.707 1.00 0.00 C ATOM 0 H MET A 68 -17.619 -6.253 -5.332 1.00 0.00 H new ATOM 0 HA MET A 68 -17.581 -9.199 -5.585 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.100 -8.180 -3.722 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.085 -7.585 -5.044 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.008 -9.678 -4.280 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.343 -9.916 -5.884 1.00 0.00 H new ATOM 0 HE1 MET A 68 -19.537 -13.398 -4.391 1.00 0.00 H new ATOM 0 HE2 MET A 68 -21.019 -12.424 -4.235 1.00 0.00 H new ATOM 0 HE3 MET A 68 -20.157 -12.490 -5.790 1.00 0.00 H new ATOM 997 N ARG A 69 -17.724 -7.266 -7.813 1.00 0.00 N ATOM 998 CA ARG A 69 -18.001 -6.961 -9.211 1.00 0.00 C ATOM 999 C ARG A 69 -18.113 -8.241 -10.035 1.00 0.00 C ATOM 1000 O ARG A 69 -17.934 -9.342 -9.515 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.902 -6.066 -9.787 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.750 -4.742 -9.057 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.650 -3.890 -9.670 1.00 0.00 C ATOM 1004 NE ARG A 69 -16.031 -3.360 -10.977 1.00 0.00 N ATOM 1005 CZ ARG A 69 -15.868 -4.024 -12.115 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -15.334 -5.238 -12.108 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -16.241 -3.475 -13.264 1.00 0.00 N ATOM 0 H ARG A 69 -16.863 -6.853 -7.454 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.953 -6.433 -9.260 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.953 -6.602 -9.752 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -17.118 -5.870 -10.837 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.694 -4.197 -9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.525 -4.928 -8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.415 -3.064 -8.999 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.743 -4.487 -9.771 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.445 -2.429 -11.017 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.047 -5.664 -11.227 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.210 -5.746 -12.984 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -16.653 -2.542 -13.273 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.115 -3.986 -14.138 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.411 -8.087 -11.321 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.549 -9.230 -12.215 1.00 0.00 C ATOM 1023 C GLU A 70 -17.183 -9.713 -12.695 1.00 0.00 C ATOM 1024 O GLU A 70 -16.493 -9.018 -13.442 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.423 -8.864 -13.416 1.00 0.00 C ATOM 1026 CG GLU A 70 -20.196 -10.042 -13.988 1.00 0.00 C ATOM 1027 CD GLU A 70 -21.209 -9.622 -15.035 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -20.807 -8.969 -16.021 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -22.403 -9.946 -14.869 1.00 0.00 O ATOM 0 H GLU A 70 -18.561 -7.182 -11.767 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.027 -10.037 -11.660 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.128 -8.088 -13.119 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -18.793 -8.440 -14.198 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -19.496 -10.751 -14.429 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -20.709 -10.562 -13.179 1.00 0.00 H new ATOM 1036 N LYS A 71 -16.798 -10.908 -12.260 1.00 0.00 N ATOM 1037 CA LYS A 71 -15.516 -11.486 -12.644 1.00 0.00 C ATOM 1038 C LYS A 71 -14.403 -10.446 -12.560 1.00 0.00 C ATOM 1039 O LYS A 71 -13.669 -10.228 -13.525 1.00 0.00 O ATOM 1040 CB LYS A 71 -15.593 -12.053 -14.064 1.00 0.00 C ATOM 1041 CG LYS A 71 -16.289 -13.400 -14.144 1.00 0.00 C ATOM 1042 CD LYS A 71 -15.353 -14.535 -13.764 1.00 0.00 C ATOM 1043 CE LYS A 71 -14.333 -14.806 -14.859 1.00 0.00 C ATOM 1044 NZ LYS A 71 -14.983 -15.229 -16.130 1.00 0.00 N ATOM 0 H LYS A 71 -17.356 -11.495 -11.641 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.288 -12.294 -11.949 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.120 -11.343 -14.702 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.583 -12.151 -14.462 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.154 -13.403 -13.481 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.662 -13.558 -15.156 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.836 -14.287 -12.837 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.933 -15.438 -13.574 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.742 -13.907 -15.035 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.643 -15.582 -14.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.526 -16.094 -16.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.992 -15.415 -15.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.885 -14.473 -16.838 1.00 0.00 H new ATOM 1058 N CYS A 72 -14.283 -9.808 -11.401 1.00 0.00 N ATOM 1059 CA CYS A 72 -13.259 -8.791 -11.191 1.00 0.00 C ATOM 1060 C CYS A 72 -11.899 -9.278 -11.683 1.00 0.00 C ATOM 1061 O CYS A 72 -11.420 -10.336 -11.273 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.174 -8.422 -9.708 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.625 -7.588 -9.237 1.00 0.00 S ATOM 0 H CYS A 72 -14.882 -9.977 -10.593 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.538 -7.907 -11.764 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.014 -7.774 -9.457 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.282 -9.328 -9.112 1.00 0.00 H new ATOM 1068 N LYS A 73 -11.282 -8.500 -12.565 1.00 0.00 N ATOM 1069 CA LYS A 73 -9.977 -8.849 -13.113 1.00 0.00 C ATOM 1070 C LYS A 73 -8.964 -7.738 -12.858 1.00 0.00 C ATOM 1071 O LYS A 73 -8.149 -7.416 -13.723 1.00 0.00 O ATOM 1072 CB LYS A 73 -10.087 -9.118 -14.616 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.532 -7.908 -15.419 1.00 0.00 C ATOM 1074 CD LYS A 73 -10.567 -8.208 -16.908 1.00 0.00 C ATOM 1075 CE LYS A 73 -9.231 -7.907 -17.568 1.00 0.00 C ATOM 1076 NZ LYS A 73 -8.204 -8.934 -17.239 1.00 0.00 N ATOM 0 H LYS A 73 -11.665 -7.622 -12.916 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.631 -9.753 -12.612 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.119 -9.455 -14.988 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.793 -9.932 -14.780 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.522 -7.594 -15.087 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.854 -7.076 -15.231 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.823 -9.256 -17.063 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.350 -7.615 -17.381 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.363 -7.859 -18.649 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.880 -6.927 -17.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.561 -9.054 -18.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.660 -8.627 -16.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.672 -9.839 -17.032 1.00 0.00 H new ATOM 1090 N TYR A 74 -9.019 -7.156 -11.665 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.107 -6.080 -11.296 1.00 0.00 C ATOM 1092 C TYR A 74 -7.229 -6.490 -10.118 1.00 0.00 C ATOM 1093 O TYR A 74 -7.589 -7.371 -9.337 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.893 -4.815 -10.945 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.597 -4.192 -12.129 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -10.533 -4.911 -12.863 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -9.326 -2.885 -12.515 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -11.178 -4.346 -13.946 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -9.967 -2.311 -13.596 1.00 0.00 C ATOM 1100 CZ TYR A 74 -10.892 -3.046 -14.308 1.00 0.00 C ATOM 1101 OH TYR A 74 -11.533 -2.479 -15.386 1.00 0.00 O ATOM 0 H TYR A 74 -9.686 -7.412 -10.937 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.463 -5.874 -12.151 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.631 -5.056 -10.180 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.212 -4.083 -10.511 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.760 -5.929 -12.582 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.601 -2.308 -11.960 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.902 -4.919 -14.506 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.745 -1.293 -13.882 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.219 -1.559 -15.506 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.075 -5.842 -9.995 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.143 -6.138 -8.913 1.00 0.00 C ATOM 1113 C PHE A 75 -5.645 -5.563 -7.591 1.00 0.00 C ATOM 1114 O PHE A 75 -6.227 -4.479 -7.554 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.758 -5.574 -9.235 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.802 -5.636 -8.078 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.021 -6.761 -7.868 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.684 -4.570 -7.202 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.140 -6.821 -6.805 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.804 -4.624 -6.137 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.032 -5.752 -5.938 1.00 0.00 C ATOM 0 H PHE A 75 -5.763 -5.108 -10.631 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.072 -7.221 -8.814 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.336 -6.126 -10.075 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.862 -4.537 -9.555 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.102 -7.600 -8.543 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.286 -3.686 -7.352 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.536 -7.704 -6.653 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.720 -3.785 -5.462 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.345 -5.798 -5.106 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.415 -6.298 -6.508 1.00 0.00 N ATOM 1132 CA HIS A 76 -5.843 -5.862 -5.183 1.00 0.00 C ATOM 1133 C HIS A 76 -4.639 -5.556 -4.297 1.00 0.00 C ATOM 1134 O HIS A 76 -3.941 -6.453 -3.825 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.714 -6.933 -4.527 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.127 -6.942 -5.025 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.174 -7.479 -4.306 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.664 -6.474 -6.176 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.294 -7.343 -4.994 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.011 -6.736 -6.133 1.00 0.00 N ATOM 0 H HIS A 76 -4.935 -7.198 -6.521 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.428 -4.950 -5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.268 -7.912 -4.705 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.718 -6.776 -3.448 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.096 -7.913 -3.386 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.132 -5.985 -6.979 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.273 -7.672 -4.679 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.389 -4.259 -4.065 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.269 -3.804 -3.235 1.00 0.00 C ATOM 1150 C PRO A 77 -3.473 -4.130 -1.759 1.00 0.00 C ATOM 1151 O PRO A 77 -4.571 -4.472 -1.320 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.258 -2.289 -3.452 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.659 -1.951 -3.829 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.179 -3.135 -4.596 1.00 0.00 C ATOM 0 HA PRO A 77 -2.334 -4.293 -3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.953 -1.762 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.557 -2.007 -4.238 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.266 -1.762 -2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.692 -1.047 -4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.247 -3.282 -4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.034 -3.014 -5.669 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.392 -4.021 -0.973 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.427 -4.298 0.466 1.00 0.00 C ATOM 1164 C PRO A 78 -3.216 -3.247 1.239 1.00 0.00 C ATOM 1165 O PRO A 78 -3.739 -2.297 0.657 1.00 0.00 O ATOM 1166 CB PRO A 78 -0.952 -4.264 0.871 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.300 -3.390 -0.146 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.051 -3.617 -1.429 1.00 0.00 C ATOM 0 HA PRO A 78 -2.921 -5.244 0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.827 -3.863 1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.518 -5.264 0.870 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.345 -2.343 0.153 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.754 -3.644 -0.261 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.089 -2.714 -2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.583 -4.391 -2.037 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.297 -3.424 2.554 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.021 -2.489 3.407 1.00 0.00 C ATOM 1178 C ALA A 79 -3.422 -1.089 3.318 1.00 0.00 C ATOM 1179 O ALA A 79 -4.094 -0.141 2.911 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.015 -2.977 4.848 1.00 0.00 C ATOM 0 H ALA A 79 -2.870 -4.206 3.051 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.052 -2.438 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.559 -2.270 5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.495 -3.954 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.987 -3.057 5.201 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.156 -0.966 3.703 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.467 0.319 3.667 1.00 0.00 C ATOM 1188 C HIS A 80 -1.740 1.045 2.353 1.00 0.00 C ATOM 1189 O HIS A 80 -2.242 2.170 2.345 1.00 0.00 O ATOM 1190 CB HIS A 80 0.038 0.121 3.851 1.00 0.00 C ATOM 1191 CG HIS A 80 0.638 -0.844 2.875 1.00 0.00 C ATOM 1192 ND1 HIS A 80 1.246 -0.636 1.684 1.00 0.00 N flip ATOM 1193 CD2 HIS A 80 0.652 -2.208 3.078 1.00 0.00 C flip ATOM 1194 CE1 HIS A 80 1.614 -1.865 1.194 1.00 0.00 C flip ATOM 1195 NE2 HIS A 80 1.244 -2.797 2.054 1.00 0.00 N flip ATOM 0 H HIS A 80 -1.586 -1.740 4.044 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.847 0.930 4.485 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.538 1.084 3.751 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.229 -0.233 4.864 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.243 -2.715 3.939 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.123 -2.041 0.258 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.390 -3.801 1.946 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.405 0.395 1.244 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.613 0.978 -0.077 1.00 0.00 C ATOM 1205 C LEU A 81 -3.073 1.374 -0.274 1.00 0.00 C ATOM 1206 O LEU A 81 -3.374 2.509 -0.643 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.190 -0.010 -1.165 1.00 0.00 C ATOM 1208 CG LEU A 81 0.298 -0.022 -1.519 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.588 -1.081 -2.571 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.742 1.350 -2.003 1.00 0.00 C ATOM 0 H LEU A 81 -0.988 -0.536 1.233 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.999 1.875 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.476 -1.013 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.756 0.212 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 81 0.864 -0.268 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.651 -1.075 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.308 -2.062 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.012 -0.867 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.803 1.323 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.170 1.626 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.571 2.086 -1.217 1.00 0.00 H new ATOM 1222 N GLN A 82 -3.976 0.431 -0.023 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.404 0.682 -0.172 1.00 0.00 C ATOM 1224 C GLN A 82 -5.776 2.054 0.382 1.00 0.00 C ATOM 1225 O GLN A 82 -6.564 2.784 -0.219 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.211 -0.404 0.541 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.546 -1.593 -0.346 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.233 -2.712 0.413 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -6.470 -3.430 1.229 1.00 0.00 O flip ATOM 1230 NE2 GLN A 82 -8.436 -2.928 0.268 1.00 0.00 N flip ATOM 0 H GLN A 82 -3.743 -0.513 0.284 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.642 0.663 -1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.649 -0.754 1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.137 0.031 0.917 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.190 -1.263 -1.161 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.630 -1.974 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.984 -2.351 -0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.884 -3.684 0.786 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.204 2.397 1.531 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.474 3.682 2.165 1.00 0.00 C ATOM 1241 C ALA A 83 -5.069 4.838 1.257 1.00 0.00 C ATOM 1242 O ALA A 83 -5.839 5.775 1.046 1.00 0.00 O ATOM 1243 CB ALA A 83 -4.747 3.775 3.499 1.00 0.00 C ATOM 0 H ALA A 83 -4.551 1.803 2.042 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.547 3.754 2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.957 4.739 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.089 2.975 4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.674 3.677 3.336 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.855 4.767 0.723 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.346 5.807 -0.164 1.00 0.00 C ATOM 1251 C LYS A 84 -4.390 6.190 -1.208 1.00 0.00 C ATOM 1252 O LYS A 84 -4.438 7.335 -1.659 1.00 0.00 O ATOM 1253 CB LYS A 84 -2.066 5.334 -0.856 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.800 5.662 -0.084 1.00 0.00 C ATOM 1255 CD LYS A 84 -0.551 4.661 1.031 1.00 0.00 C ATOM 1256 CE LYS A 84 0.353 5.239 2.108 1.00 0.00 C ATOM 1257 NZ LYS A 84 -0.417 6.003 3.128 1.00 0.00 N ATOM 0 H LYS A 84 -3.204 3.999 0.889 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.121 6.687 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.121 4.256 -1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.007 5.790 -1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.051 5.668 -0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.879 6.664 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.502 4.364 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.097 3.760 0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.899 4.431 2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.094 5.893 1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.235 6.381 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.918 6.789 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.107 5.373 3.586 1.00 0.00 H new ATOM 1271 N ILE A 85 -5.224 5.227 -1.585 1.00 0.00 N ATOM 1272 CA ILE A 85 -6.268 5.466 -2.574 1.00 0.00 C ATOM 1273 C ILE A 85 -7.445 6.217 -1.960 1.00 0.00 C ATOM 1274 O ILE A 85 -7.897 7.229 -2.494 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.777 4.147 -3.185 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -5.638 3.419 -3.901 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.927 4.417 -4.144 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.863 2.479 -3.005 1.00 0.00 C ATOM 0 H ILE A 85 -5.197 4.275 -1.221 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.823 6.074 -3.362 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.143 3.508 -2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.048 2.854 -4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.953 4.156 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.276 3.475 -4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.744 4.898 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.586 5.072 -4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.072 1.998 -3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.423 3.041 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.535 1.719 -2.607 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.937 5.714 -0.833 1.00 0.00 N ATOM 1291 CA LYS A 86 -9.060 6.337 -0.142 1.00 0.00 C ATOM 1292 C LYS A 86 -8.775 7.808 0.142 1.00 0.00 C ATOM 1293 O LYS A 86 -9.657 8.657 0.016 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.352 5.601 1.167 1.00 0.00 C ATOM 1295 CG LYS A 86 -10.233 4.376 0.992 1.00 0.00 C ATOM 1296 CD LYS A 86 -9.410 3.140 0.669 1.00 0.00 C ATOM 1297 CE LYS A 86 -8.731 2.582 1.910 1.00 0.00 C ATOM 1298 NZ LYS A 86 -9.603 1.615 2.633 1.00 0.00 N ATOM 0 H LYS A 86 -7.575 4.876 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.934 6.273 -0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.409 5.298 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.834 6.289 1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.806 4.205 1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.952 4.555 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.054 2.377 0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.657 3.388 -0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.801 2.090 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.466 3.401 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.104 1.258 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.479 2.091 2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.836 0.820 2.004 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.537 8.103 0.525 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.135 9.472 0.824 1.00 0.00 C ATOM 1314 C ALA A 87 -7.490 10.411 -0.324 1.00 0.00 C ATOM 1315 O ALA A 87 -7.896 11.552 -0.103 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.643 9.533 1.116 1.00 0.00 C ATOM 0 H ALA A 87 -6.795 7.412 0.636 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.680 9.799 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.357 10.561 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.414 8.900 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.087 9.181 0.247 1.00 0.00 H new ATOM 1322 N ALA A 88 -7.334 9.924 -1.551 1.00 0.00 N ATOM 1323 CA ALA A 88 -7.639 10.720 -2.734 1.00 0.00 C ATOM 1324 C ALA A 88 -9.131 11.020 -2.823 1.00 0.00 C ATOM 1325 O ALA A 88 -9.533 12.174 -2.967 1.00 0.00 O ATOM 1326 CB ALA A 88 -7.167 10.002 -3.989 1.00 0.00 C ATOM 0 H ALA A 88 -6.998 8.982 -1.752 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.109 11.669 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.401 10.608 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.090 9.844 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.671 9.039 -4.069 1.00 0.00 H new ATOM 1332 N GLN A 89 -9.947 9.974 -2.737 1.00 0.00 N ATOM 1333 CA GLN A 89 -11.395 10.127 -2.810 1.00 0.00 C ATOM 1334 C GLN A 89 -11.851 11.364 -2.044 1.00 0.00 C ATOM 1335 O GLN A 89 -12.710 12.114 -2.510 1.00 0.00 O ATOM 1336 CB GLN A 89 -12.089 8.883 -2.253 1.00 0.00 C ATOM 1337 CG GLN A 89 -12.358 7.815 -3.300 1.00 0.00 C ATOM 1338 CD GLN A 89 -11.089 7.144 -3.788 1.00 0.00 C ATOM 1339 OE1 GLN A 89 -10.720 6.069 -3.315 1.00 0.00 O ATOM 1340 NE2 GLN A 89 -10.413 7.776 -4.740 1.00 0.00 N ATOM 0 H GLN A 89 -9.630 9.012 -2.617 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.670 10.249 -3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.472 8.457 -1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.034 9.178 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.025 7.061 -2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.876 8.264 -4.147 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.755 8.665 -5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.552 7.372 -5.108 1.00 0.00 H new ATOM 1349 N HIS A 90 -11.270 11.573 -0.867 1.00 0.00 N ATOM 1350 CA HIS A 90 -11.617 12.721 -0.036 1.00 0.00 C ATOM 1351 C HIS A 90 -11.307 14.028 -0.759 1.00 0.00 C ATOM 1352 O HIS A 90 -12.191 14.860 -0.961 1.00 0.00 O ATOM 1353 CB HIS A 90 -10.857 12.665 1.290 1.00 0.00 C ATOM 1354 CG HIS A 90 -11.063 13.874 2.150 1.00 0.00 C ATOM 1355 ND1 HIS A 90 -10.156 14.283 3.104 1.00 0.00 N ATOM 1356 CD2 HIS A 90 -12.081 14.766 2.194 1.00 0.00 C ATOM 1357 CE1 HIS A 90 -10.607 15.373 3.699 1.00 0.00 C ATOM 1358 NE2 HIS A 90 -11.773 15.687 3.165 1.00 0.00 N ATOM 0 H HIS A 90 -10.557 10.963 -0.467 1.00 0.00 H new ATOM 0 HA HIS A 90 -12.688 12.683 0.165 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.171 11.779 1.842 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.792 12.552 1.085 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.969 14.755 1.580 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.107 15.915 4.488 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -12.351 16.484 3.431 1.00 0.00 H new ATOM 1366 N GLN A 91 -10.047 14.201 -1.145 1.00 0.00 N ATOM 1367 CA GLN A 91 -9.622 15.408 -1.843 1.00 0.00 C ATOM 1368 C GLN A 91 -8.357 15.150 -2.656 1.00 0.00 C ATOM 1369 O GLN A 91 -7.467 14.420 -2.222 1.00 0.00 O ATOM 1370 CB GLN A 91 -9.377 16.541 -0.845 1.00 0.00 C ATOM 1371 CG GLN A 91 -8.312 16.221 0.190 1.00 0.00 C ATOM 1372 CD GLN A 91 -7.577 17.456 0.674 1.00 0.00 C ATOM 1373 OE1 GLN A 91 -6.410 17.667 0.344 1.00 0.00 O ATOM 1374 NE2 GLN A 91 -8.260 18.282 1.459 1.00 0.00 N ATOM 0 H GLN A 91 -9.303 13.521 -0.986 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.419 15.701 -2.527 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.083 17.437 -1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.311 16.771 -0.333 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -8.776 15.723 1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -7.595 15.520 -0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -9.226 18.068 1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -7.819 19.131 1.813 1.00 0.00 H new ATOM 1383 N ALA A 92 -8.286 15.753 -3.838 1.00 0.00 N ATOM 1384 CA ALA A 92 -7.131 15.589 -4.711 1.00 0.00 C ATOM 1385 C ALA A 92 -6.457 16.929 -4.988 1.00 0.00 C ATOM 1386 O ALA A 92 -7.124 17.919 -5.286 1.00 0.00 O ATOM 1387 CB ALA A 92 -7.544 14.924 -6.016 1.00 0.00 C ATOM 0 H ALA A 92 -9.015 16.360 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.411 14.948 -4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.671 14.808 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.972 13.944 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.286 15.543 -6.521 1.00 0.00 H new ATOM 1393 N ASN A 93 -5.132 16.952 -4.886 1.00 0.00 N ATOM 1394 CA ASN A 93 -4.369 18.172 -5.125 1.00 0.00 C ATOM 1395 C ASN A 93 -3.391 17.984 -6.281 1.00 0.00 C ATOM 1396 O ASN A 93 -2.811 16.912 -6.448 1.00 0.00 O ATOM 1397 CB ASN A 93 -3.609 18.578 -3.860 1.00 0.00 C ATOM 1398 CG ASN A 93 -4.467 19.385 -2.905 1.00 0.00 C ATOM 1399 OD1 ASN A 93 -4.830 20.526 -3.191 1.00 0.00 O ATOM 1400 ND2 ASN A 93 -4.794 18.794 -1.761 1.00 0.00 N ATOM 0 H ASN A 93 -4.565 16.141 -4.640 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.070 18.964 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.249 17.683 -3.353 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.732 19.162 -4.138 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.368 19.288 -1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.471 17.846 -1.566 1.00 0.00 H new ATOM 1407 N GLN A 94 -3.214 19.035 -7.075 1.00 0.00 N ATOM 1408 CA GLN A 94 -2.306 18.986 -8.215 1.00 0.00 C ATOM 1409 C GLN A 94 -0.879 19.315 -7.790 1.00 0.00 C ATOM 1410 O GLN A 94 -0.633 20.335 -7.147 1.00 0.00 O ATOM 1411 CB GLN A 94 -2.765 19.960 -9.301 1.00 0.00 C ATOM 1412 CG GLN A 94 -1.935 19.889 -10.573 1.00 0.00 C ATOM 1413 CD GLN A 94 -2.070 18.558 -11.285 1.00 0.00 C ATOM 1414 OE1 GLN A 94 -3.110 17.903 -11.209 1.00 0.00 O ATOM 1415 NE2 GLN A 94 -1.016 18.149 -11.981 1.00 0.00 N ATOM 0 H GLN A 94 -3.687 19.930 -6.950 1.00 0.00 H new ATOM 0 HA GLN A 94 -2.321 17.972 -8.616 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.807 19.754 -9.545 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -2.725 20.976 -8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -2.241 20.690 -11.247 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.887 20.061 -10.328 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.174 18.724 -12.017 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.048 17.260 -12.480 1.00 0.00 H new ATOM 1424 N ALA A 95 0.057 18.444 -8.152 1.00 0.00 N ATOM 1425 CA ALA A 95 1.460 18.644 -7.810 1.00 0.00 C ATOM 1426 C ALA A 95 2.373 18.146 -8.925 1.00 0.00 C ATOM 1427 O ALA A 95 2.131 17.094 -9.515 1.00 0.00 O ATOM 1428 CB ALA A 95 1.788 17.940 -6.501 1.00 0.00 C ATOM 0 H ALA A 95 -0.131 17.593 -8.682 1.00 0.00 H new ATOM 0 HA ALA A 95 1.631 19.714 -7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.839 18.097 -6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.165 18.346 -5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.595 16.872 -6.604 1.00 0.00 H new ATOM 1434 N ALA A 96 3.423 18.909 -9.208 1.00 0.00 N ATOM 1435 CA ALA A 96 4.374 18.545 -10.251 1.00 0.00 C ATOM 1436 C ALA A 96 5.300 17.427 -9.783 1.00 0.00 C ATOM 1437 O ALA A 96 5.392 16.377 -10.419 1.00 0.00 O ATOM 1438 CB ALA A 96 5.184 19.761 -10.676 1.00 0.00 C ATOM 0 H ALA A 96 3.637 19.784 -8.729 1.00 0.00 H new ATOM 0 HA ALA A 96 3.811 18.180 -11.110 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.890 19.474 -11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.513 20.529 -11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.730 20.152 -9.818 1.00 0.00 H new ATOM 1444 N VAL A 97 5.986 17.660 -8.669 1.00 0.00 N ATOM 1445 CA VAL A 97 6.905 16.673 -8.116 1.00 0.00 C ATOM 1446 C VAL A 97 6.269 15.921 -6.952 1.00 0.00 C ATOM 1447 O VAL A 97 6.728 14.845 -6.570 1.00 0.00 O ATOM 1448 CB VAL A 97 8.212 17.331 -7.635 1.00 0.00 C ATOM 1449 CG1 VAL A 97 9.051 17.781 -8.820 1.00 0.00 C ATOM 1450 CG2 VAL A 97 7.911 18.500 -6.709 1.00 0.00 C ATOM 0 H VAL A 97 5.923 18.524 -8.131 1.00 0.00 H new ATOM 0 HA VAL A 97 7.134 15.970 -8.917 1.00 0.00 H new ATOM 0 HB VAL A 97 8.785 16.592 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.970 18.243 -8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.297 16.919 -9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.488 18.504 -9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.846 18.953 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.316 19.242 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.355 18.144 -5.842 1.00 0.00 H new ATOM 1460 N ALA A 98 5.208 16.495 -6.393 1.00 0.00 N ATOM 1461 CA ALA A 98 4.507 15.878 -5.274 1.00 0.00 C ATOM 1462 C ALA A 98 3.239 15.172 -5.743 1.00 0.00 C ATOM 1463 O ALA A 98 2.965 15.162 -6.942 1.00 0.00 O ATOM 1464 CB ALA A 98 4.173 16.922 -4.220 1.00 0.00 C ATOM 0 H ALA A 98 4.816 17.386 -6.697 1.00 0.00 H new ATOM 0 HA ALA A 98 5.166 15.130 -4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.650 16.447 -3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.093 17.378 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.536 17.691 -4.658 1.00 0.00 H new TER 1470 ALA A 98 HETATM 1471 ZN ZN A 201 9.114 -3.795 -4.154 1.00 0.00 ZN HETATM 1472 ZN ZN A 401 -11.691 -6.383 -7.253 1.00 0.00 ZN