USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=22 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 62 TYR OH : rot 165:sc= -0.312 USER MOD Set 1.2: A 82 GLN : amide:sc= -3.62 K(o=-3.9,f=-2.9!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0696 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 12:sc= 0.5 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= -0.0683 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -53:sc= 1 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 30 ASN : amide:sc= -1.79 K(o=-1.8,f=-2.5!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0755 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -126:sc= -0.181 (180deg=-0.807) 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= -2.77! C(o=-2.8!,f=-4.3!) 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 -151:sc= -1.24 (180deg=-3.38!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 163:sc= -0.051 (180deg=-0.396) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -14.7! C(o=-15!,f=-13!) USER MOD Single : A 84 LYS NZ :NH3+ -127:sc= -1.74 (180deg=-5.34!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.35) USER MOD Single : A 90 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-6.5e-05) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.020 43.972 -7.706 1.00 0.00 N ATOM 2 CA GLY A 1 -5.753 43.582 -7.117 1.00 0.00 C ATOM 3 C GLY A 1 -4.621 43.580 -8.125 1.00 0.00 C ATOM 4 O GLY A 1 -4.778 44.064 -9.245 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.498 44.653 -7.082 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.851 44.412 -8.633 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.620 43.131 -7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.509 44.264 -6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.849 42.587 -6.681 1.00 0.00 H new ATOM 8 N SER A 2 -3.477 43.034 -7.726 1.00 0.00 N ATOM 9 CA SER A 2 -2.312 42.975 -8.601 1.00 0.00 C ATOM 10 C SER A 2 -1.855 41.533 -8.801 1.00 0.00 C ATOM 11 O SER A 2 -1.360 40.893 -7.874 1.00 0.00 O ATOM 12 CB SER A 2 -1.168 43.808 -8.019 1.00 0.00 C ATOM 13 OG SER A 2 -1.428 45.195 -8.153 1.00 0.00 O ATOM 0 H SER A 2 -3.332 42.626 -6.802 1.00 0.00 H new ATOM 0 HA SER A 2 -2.595 43.386 -9.570 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.032 43.560 -6.966 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.237 43.558 -8.528 1.00 0.00 H new ATOM 0 HG SER A 2 -0.683 45.706 -7.772 1.00 0.00 H new ATOM 19 N SER A 3 -2.025 41.029 -10.019 1.00 0.00 N ATOM 20 CA SER A 3 -1.634 39.662 -10.342 1.00 0.00 C ATOM 21 C SER A 3 -1.341 39.518 -11.832 1.00 0.00 C ATOM 22 O SER A 3 -1.597 40.429 -12.618 1.00 0.00 O ATOM 23 CB SER A 3 -2.735 38.683 -9.930 1.00 0.00 C ATOM 24 OG SER A 3 -2.778 38.527 -8.522 1.00 0.00 O ATOM 0 H SER A 3 -2.431 41.547 -10.798 1.00 0.00 H new ATOM 0 HA SER A 3 -0.725 39.430 -9.787 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.699 39.043 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.561 37.716 -10.401 1.00 0.00 H new ATOM 0 HG SER A 3 -2.224 39.216 -8.099 1.00 0.00 H new ATOM 30 N GLY A 4 -0.802 38.364 -12.215 1.00 0.00 N ATOM 31 CA GLY A 4 -0.483 38.120 -13.609 1.00 0.00 C ATOM 32 C GLY A 4 -0.831 36.711 -14.046 1.00 0.00 C ATOM 33 O GLY A 4 -1.295 35.902 -13.243 1.00 0.00 O ATOM 0 H GLY A 4 -0.581 37.594 -11.584 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.022 38.834 -14.232 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.581 38.295 -13.771 1.00 0.00 H new ATOM 37 N SER A 5 -0.609 36.417 -15.323 1.00 0.00 N ATOM 38 CA SER A 5 -0.908 35.097 -15.867 1.00 0.00 C ATOM 39 C SER A 5 -0.273 34.921 -17.243 1.00 0.00 C ATOM 40 O SER A 5 -0.736 35.492 -18.230 1.00 0.00 O ATOM 41 CB SER A 5 -2.421 34.891 -15.960 1.00 0.00 C ATOM 42 OG SER A 5 -2.732 33.734 -16.716 1.00 0.00 O ATOM 0 H SER A 5 -0.223 37.075 -16.000 1.00 0.00 H new ATOM 0 HA SER A 5 -0.488 34.350 -15.194 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.841 34.799 -14.958 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.883 35.765 -16.420 1.00 0.00 H new ATOM 0 HG SER A 5 -3.705 33.623 -16.760 1.00 0.00 H new ATOM 48 N SER A 6 0.790 34.125 -17.299 1.00 0.00 N ATOM 49 CA SER A 6 1.492 33.874 -18.553 1.00 0.00 C ATOM 50 C SER A 6 2.151 32.499 -18.541 1.00 0.00 C ATOM 51 O SER A 6 2.983 32.204 -17.685 1.00 0.00 O ATOM 52 CB SER A 6 2.546 34.956 -18.796 1.00 0.00 C ATOM 53 OG SER A 6 3.289 34.688 -19.973 1.00 0.00 O ATOM 0 H SER A 6 1.184 33.643 -16.491 1.00 0.00 H new ATOM 0 HA SER A 6 0.762 33.900 -19.362 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.061 35.928 -18.882 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.220 35.010 -17.941 1.00 0.00 H new ATOM 0 HG SER A 6 3.955 35.394 -20.107 1.00 0.00 H new ATOM 59 N GLY A 7 1.771 31.659 -19.500 1.00 0.00 N ATOM 60 CA GLY A 7 2.335 30.324 -19.583 1.00 0.00 C ATOM 61 C GLY A 7 1.415 29.350 -20.293 1.00 0.00 C ATOM 62 O GLY A 7 1.398 29.286 -21.522 1.00 0.00 O ATOM 0 H GLY A 7 1.083 31.879 -20.220 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.289 30.368 -20.109 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.542 29.957 -18.578 1.00 0.00 H new ATOM 66 N SER A 8 0.650 28.589 -19.517 1.00 0.00 N ATOM 67 CA SER A 8 -0.272 27.609 -20.079 1.00 0.00 C ATOM 68 C SER A 8 -1.665 27.766 -19.477 1.00 0.00 C ATOM 69 O SER A 8 -1.840 28.420 -18.448 1.00 0.00 O ATOM 70 CB SER A 8 0.245 26.190 -19.833 1.00 0.00 C ATOM 71 OG SER A 8 -0.010 25.778 -18.502 1.00 0.00 O ATOM 0 H SER A 8 0.650 28.632 -18.498 1.00 0.00 H new ATOM 0 HA SER A 8 -0.337 27.783 -21.153 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.233 25.500 -20.528 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.316 26.151 -20.030 1.00 0.00 H new ATOM 0 HG SER A 8 0.328 24.868 -18.371 1.00 0.00 H new ATOM 77 N THR A 9 -2.655 27.161 -20.125 1.00 0.00 N ATOM 78 CA THR A 9 -4.033 27.233 -19.656 1.00 0.00 C ATOM 79 C THR A 9 -4.454 25.931 -18.983 1.00 0.00 C ATOM 80 O THR A 9 -5.044 25.943 -17.903 1.00 0.00 O ATOM 81 CB THR A 9 -5.005 27.537 -20.812 1.00 0.00 C ATOM 82 OG1 THR A 9 -4.955 26.487 -21.783 1.00 0.00 O ATOM 83 CG2 THR A 9 -4.661 28.863 -21.473 1.00 0.00 C ATOM 0 H THR A 9 -2.528 26.615 -20.977 1.00 0.00 H new ATOM 0 HA THR A 9 -4.077 28.045 -18.930 1.00 0.00 H new ATOM 0 HB THR A 9 -6.013 27.604 -20.402 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.577 26.687 -22.513 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.361 29.056 -22.286 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.729 29.665 -20.738 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.647 28.819 -21.870 1.00 0.00 H new ATOM 91 N ALA A 10 -4.146 24.811 -19.627 1.00 0.00 N ATOM 92 CA ALA A 10 -4.490 23.501 -19.089 1.00 0.00 C ATOM 93 C ALA A 10 -3.625 22.408 -19.709 1.00 0.00 C ATOM 94 O ALA A 10 -3.665 22.181 -20.919 1.00 0.00 O ATOM 95 CB ALA A 10 -5.964 23.205 -19.321 1.00 0.00 C ATOM 0 H ALA A 10 -3.659 24.784 -20.523 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.298 23.515 -18.016 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.206 22.223 -18.914 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.570 23.963 -18.825 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.173 23.216 -20.391 1.00 0.00 H new ATOM 101 N THR A 11 -2.842 21.733 -18.873 1.00 0.00 N ATOM 102 CA THR A 11 -1.966 20.666 -19.339 1.00 0.00 C ATOM 103 C THR A 11 -2.443 19.307 -18.839 1.00 0.00 C ATOM 104 O THR A 11 -3.337 19.223 -17.999 1.00 0.00 O ATOM 105 CB THR A 11 -0.514 20.889 -18.877 1.00 0.00 C ATOM 106 OG1 THR A 11 -0.454 20.925 -17.447 1.00 0.00 O ATOM 107 CG2 THR A 11 0.041 22.187 -19.446 1.00 0.00 C ATOM 0 H THR A 11 -2.797 21.907 -17.869 1.00 0.00 H new ATOM 0 HA THR A 11 -1.999 20.682 -20.428 1.00 0.00 H new ATOM 0 HB THR A 11 0.092 20.061 -19.244 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.473 21.065 -17.162 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.068 22.324 -19.106 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.022 22.145 -20.535 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.568 23.024 -19.105 1.00 0.00 H new ATOM 115 N GLN A 12 -1.839 18.244 -19.362 1.00 0.00 N ATOM 116 CA GLN A 12 -2.202 16.889 -18.969 1.00 0.00 C ATOM 117 C GLN A 12 -2.020 16.690 -17.468 1.00 0.00 C ATOM 118 O GLN A 12 -0.898 16.698 -16.961 1.00 0.00 O ATOM 119 CB GLN A 12 -1.359 15.869 -19.736 1.00 0.00 C ATOM 120 CG GLN A 12 -1.902 14.451 -19.661 1.00 0.00 C ATOM 121 CD GLN A 12 -0.820 13.402 -19.825 1.00 0.00 C ATOM 122 OE1 GLN A 12 0.189 13.633 -20.493 1.00 0.00 O ATOM 123 NE2 GLN A 12 -1.024 12.240 -19.215 1.00 0.00 N ATOM 0 H GLN A 12 -1.096 18.296 -20.059 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.254 16.737 -19.213 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.300 16.172 -20.781 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.342 15.881 -19.343 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.400 14.307 -18.702 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.656 14.313 -20.436 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.874 12.092 -18.672 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.330 11.496 -19.290 1.00 0.00 H new ATOM 132 N LYS A 13 -3.131 16.513 -16.760 1.00 0.00 N ATOM 133 CA LYS A 13 -3.096 16.312 -15.317 1.00 0.00 C ATOM 134 C LYS A 13 -3.430 14.867 -14.960 1.00 0.00 C ATOM 135 O LYS A 13 -4.021 14.141 -15.760 1.00 0.00 O ATOM 136 CB LYS A 13 -4.078 17.260 -14.624 1.00 0.00 C ATOM 137 CG LYS A 13 -3.746 18.729 -14.821 1.00 0.00 C ATOM 138 CD LYS A 13 -4.626 19.619 -13.958 1.00 0.00 C ATOM 139 CE LYS A 13 -3.955 20.953 -13.669 1.00 0.00 C ATOM 140 NZ LYS A 13 -4.946 22.008 -13.321 1.00 0.00 N ATOM 0 H LYS A 13 -4.068 16.505 -17.164 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.086 16.529 -14.970 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.082 17.069 -15.002 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.092 17.039 -13.557 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.698 18.903 -14.575 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.875 18.995 -15.870 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.577 19.790 -14.462 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.849 19.112 -13.019 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.248 20.834 -12.848 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.381 21.267 -14.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.449 22.902 -13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.605 22.140 -14.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.477 21.720 -12.474 1.00 0.00 H new ATOM 154 N LEU A 14 -3.050 14.457 -13.755 1.00 0.00 N ATOM 155 CA LEU A 14 -3.311 13.098 -13.292 1.00 0.00 C ATOM 156 C LEU A 14 -4.363 13.093 -12.187 1.00 0.00 C ATOM 157 O LEU A 14 -4.123 13.588 -11.085 1.00 0.00 O ATOM 158 CB LEU A 14 -2.020 12.454 -12.786 1.00 0.00 C ATOM 159 CG LEU A 14 -2.185 11.348 -11.743 1.00 0.00 C ATOM 160 CD1 LEU A 14 -2.952 10.173 -12.327 1.00 0.00 C ATOM 161 CD2 LEU A 14 -0.828 10.897 -11.224 1.00 0.00 C ATOM 0 H LEU A 14 -2.560 15.046 -13.081 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.692 12.520 -14.134 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.484 12.042 -13.641 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.390 13.236 -12.361 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.757 11.748 -10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.059 9.396 -11.570 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.939 10.506 -12.648 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.408 9.773 -13.183 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.965 10.110 -10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.230 10.516 -12.052 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.315 11.742 -10.765 1.00 0.00 H new ATOM 173 N LEU A 15 -5.526 12.527 -12.488 1.00 0.00 N ATOM 174 CA LEU A 15 -6.615 12.454 -11.519 1.00 0.00 C ATOM 175 C LEU A 15 -6.827 11.020 -11.046 1.00 0.00 C ATOM 176 O LEU A 15 -6.572 10.695 -9.886 1.00 0.00 O ATOM 177 CB LEU A 15 -7.907 12.998 -12.132 1.00 0.00 C ATOM 178 CG LEU A 15 -8.165 14.492 -11.938 1.00 0.00 C ATOM 179 CD1 LEU A 15 -9.345 14.944 -12.785 1.00 0.00 C ATOM 180 CD2 LEU A 15 -8.411 14.804 -10.469 1.00 0.00 C ATOM 0 H LEU A 15 -5.740 12.112 -13.395 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.344 13.065 -10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.895 12.788 -13.201 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.747 12.447 -11.708 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.280 15.039 -12.262 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.514 16.010 -12.634 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.131 14.756 -13.837 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.237 14.390 -12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.593 15.872 -10.349 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.280 14.247 -10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.537 14.517 -9.885 1.00 0.00 H new ATOM 192 N ARG A 16 -7.293 10.166 -11.951 1.00 0.00 N ATOM 193 CA ARG A 16 -7.539 8.766 -11.626 1.00 0.00 C ATOM 194 C ARG A 16 -6.294 8.122 -11.024 1.00 0.00 C ATOM 195 O ARG A 16 -5.238 8.072 -11.657 1.00 0.00 O ATOM 196 CB ARG A 16 -7.970 7.998 -12.877 1.00 0.00 C ATOM 197 CG ARG A 16 -9.444 8.156 -13.211 1.00 0.00 C ATOM 198 CD ARG A 16 -10.323 7.414 -12.216 1.00 0.00 C ATOM 199 NE ARG A 16 -11.698 7.905 -12.228 1.00 0.00 N ATOM 200 CZ ARG A 16 -12.498 7.877 -11.167 1.00 0.00 C ATOM 201 NH1 ARG A 16 -12.061 7.383 -10.017 1.00 0.00 N ATOM 202 NH2 ARG A 16 -13.737 8.343 -11.256 1.00 0.00 N ATOM 0 H ARG A 16 -7.508 10.419 -12.915 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.341 8.725 -10.889 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.376 8.339 -13.725 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.749 6.940 -12.737 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.707 9.214 -13.212 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.633 7.780 -14.216 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.316 6.349 -12.450 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.908 7.523 -11.214 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.065 8.291 -13.098 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.109 7.023 -9.945 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.677 7.362 -9.204 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.077 8.723 -12.139 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.350 8.321 -10.441 1.00 0.00 H new ATOM 216 N THR A 17 -6.423 7.628 -9.797 1.00 0.00 N ATOM 217 CA THR A 17 -5.310 6.988 -9.108 1.00 0.00 C ATOM 218 C THR A 17 -5.541 5.489 -8.964 1.00 0.00 C ATOM 219 O THR A 17 -5.162 4.887 -7.959 1.00 0.00 O ATOM 220 CB THR A 17 -5.087 7.599 -7.712 1.00 0.00 C ATOM 221 OG1 THR A 17 -3.934 7.011 -7.098 1.00 0.00 O ATOM 222 CG2 THR A 17 -6.305 7.383 -6.826 1.00 0.00 C ATOM 0 H THR A 17 -7.289 7.659 -9.259 1.00 0.00 H new ATOM 0 HA THR A 17 -4.422 7.158 -9.717 1.00 0.00 H new ATOM 0 HB THR A 17 -4.928 8.671 -7.830 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.020 6.035 -7.108 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.124 7.823 -5.845 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.175 7.857 -7.281 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.490 6.314 -6.716 1.00 0.00 H new ATOM 230 N ASP A 18 -6.165 4.891 -9.973 1.00 0.00 N ATOM 231 CA ASP A 18 -6.446 3.460 -9.958 1.00 0.00 C ATOM 232 C ASP A 18 -5.371 2.688 -10.718 1.00 0.00 C ATOM 233 O ASP A 18 -5.671 1.751 -11.457 1.00 0.00 O ATOM 234 CB ASP A 18 -7.820 3.182 -10.570 1.00 0.00 C ATOM 235 CG ASP A 18 -8.118 4.080 -11.755 1.00 0.00 C ATOM 236 OD1 ASP A 18 -7.191 4.344 -12.548 1.00 0.00 O ATOM 237 OD2 ASP A 18 -9.280 4.517 -11.889 1.00 0.00 O ATOM 0 H ASP A 18 -6.486 5.375 -10.812 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.445 3.125 -8.921 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.870 2.140 -10.886 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.588 3.322 -9.810 1.00 0.00 H new ATOM 242 N LYS A 19 -4.119 3.089 -10.531 1.00 0.00 N ATOM 243 CA LYS A 19 -2.998 2.436 -11.197 1.00 0.00 C ATOM 244 C LYS A 19 -1.788 2.353 -10.272 1.00 0.00 C ATOM 245 O LYS A 19 -1.286 3.372 -9.797 1.00 0.00 O ATOM 246 CB LYS A 19 -2.626 3.193 -12.474 1.00 0.00 C ATOM 247 CG LYS A 19 -3.545 2.896 -13.647 1.00 0.00 C ATOM 248 CD LYS A 19 -3.353 3.898 -14.773 1.00 0.00 C ATOM 249 CE LYS A 19 -2.238 3.471 -15.715 1.00 0.00 C ATOM 250 NZ LYS A 19 -2.732 2.553 -16.779 1.00 0.00 N ATOM 0 H LYS A 19 -3.854 3.864 -9.923 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.303 1.423 -11.458 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.645 4.264 -12.270 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.603 2.940 -12.752 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.350 1.889 -14.017 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.582 2.917 -13.312 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.283 4.002 -15.332 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.122 4.878 -14.354 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.793 4.353 -16.175 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.451 2.977 -15.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.942 2.285 -17.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.134 1.699 -16.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.465 3.033 -17.339 1.00 0.00 H new ATOM 264 N LEU A 20 -1.324 1.134 -10.022 1.00 0.00 N ATOM 265 CA LEU A 20 -0.171 0.918 -9.155 1.00 0.00 C ATOM 266 C LEU A 20 1.077 0.603 -9.975 1.00 0.00 C ATOM 267 O LEU A 20 1.017 -0.147 -10.948 1.00 0.00 O ATOM 268 CB LEU A 20 -0.451 -0.223 -8.175 1.00 0.00 C ATOM 269 CG LEU A 20 -1.085 0.177 -6.842 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.886 -0.979 -6.263 1.00 0.00 C ATOM 271 CD2 LEU A 20 -0.016 0.633 -5.859 1.00 0.00 C ATOM 0 H LEU A 20 -1.728 0.280 -10.407 1.00 0.00 H new ATOM 0 HA LEU A 20 0.007 1.836 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.107 -0.943 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.488 -0.736 -7.968 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.766 1.010 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.329 -0.675 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.676 -1.259 -6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.227 -1.832 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.485 0.914 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.689 -0.180 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.514 1.492 -6.271 1.00 0.00 H new ATOM 283 N GLU A 21 2.204 1.181 -9.573 1.00 0.00 N ATOM 284 CA GLU A 21 3.466 0.961 -10.270 1.00 0.00 C ATOM 285 C GLU A 21 4.134 -0.325 -9.793 1.00 0.00 C ATOM 286 O GLU A 21 4.510 -0.447 -8.627 1.00 0.00 O ATOM 287 CB GLU A 21 4.407 2.148 -10.055 1.00 0.00 C ATOM 288 CG GLU A 21 4.094 3.342 -10.941 1.00 0.00 C ATOM 289 CD GLU A 21 4.792 4.607 -10.483 1.00 0.00 C ATOM 290 OE1 GLU A 21 4.890 4.821 -9.257 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.240 5.384 -11.352 1.00 0.00 O ATOM 0 H GLU A 21 2.269 1.805 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 21 3.252 0.865 -11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.355 2.457 -9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.432 1.827 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.392 3.118 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.017 3.509 -10.952 1.00 0.00 H new ATOM 298 N VAL A 22 4.278 -1.283 -10.704 1.00 0.00 N ATOM 299 CA VAL A 22 4.901 -2.560 -10.377 1.00 0.00 C ATOM 300 C VAL A 22 6.395 -2.394 -10.123 1.00 0.00 C ATOM 301 O VAL A 22 7.102 -1.759 -10.905 1.00 0.00 O ATOM 302 CB VAL A 22 4.695 -3.589 -11.505 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.575 -4.809 -11.282 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.230 -3.989 -11.600 1.00 0.00 C ATOM 0 H VAL A 22 3.972 -1.199 -11.673 1.00 0.00 H new ATOM 0 HA VAL A 22 4.420 -2.924 -9.469 1.00 0.00 H new ATOM 0 HB VAL A 22 4.985 -3.129 -12.450 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.416 -5.525 -12.089 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.622 -4.505 -11.268 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.319 -5.273 -10.329 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.103 -4.716 -12.402 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.911 -4.430 -10.656 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.625 -3.107 -11.811 1.00 0.00 H new ATOM 314 N CYS A 23 6.869 -2.969 -9.023 1.00 0.00 N ATOM 315 CA CYS A 23 8.280 -2.886 -8.663 1.00 0.00 C ATOM 316 C CYS A 23 9.150 -3.566 -9.716 1.00 0.00 C ATOM 317 O CYS A 23 8.734 -4.536 -10.349 1.00 0.00 O ATOM 318 CB CYS A 23 8.518 -3.529 -7.296 1.00 0.00 C ATOM 319 SG CYS A 23 9.843 -2.741 -6.325 1.00 0.00 S ATOM 0 H CYS A 23 6.297 -3.498 -8.365 1.00 0.00 H new ATOM 0 HA CYS A 23 8.556 -1.833 -8.614 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.591 -3.493 -6.723 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.763 -4.581 -7.439 1.00 0.00 H new ATOM 324 N ARG A 24 10.362 -3.050 -9.897 1.00 0.00 N ATOM 325 CA ARG A 24 11.291 -3.606 -10.873 1.00 0.00 C ATOM 326 C ARG A 24 12.194 -4.654 -10.228 1.00 0.00 C ATOM 327 O ARG A 24 12.547 -5.652 -10.855 1.00 0.00 O ATOM 328 CB ARG A 24 12.142 -2.495 -11.490 1.00 0.00 C ATOM 329 CG ARG A 24 11.454 -1.764 -12.632 1.00 0.00 C ATOM 330 CD ARG A 24 11.640 -2.495 -13.953 1.00 0.00 C ATOM 331 NE ARG A 24 12.970 -2.281 -14.515 1.00 0.00 N ATOM 332 CZ ARG A 24 13.381 -2.820 -15.658 1.00 0.00 C ATOM 333 NH1 ARG A 24 12.568 -3.601 -16.356 1.00 0.00 N ATOM 334 NH2 ARG A 24 14.607 -2.577 -16.104 1.00 0.00 N ATOM 0 H ARG A 24 10.723 -2.248 -9.380 1.00 0.00 H new ATOM 0 HA ARG A 24 10.708 -4.087 -11.659 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.403 -1.775 -10.714 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.076 -2.924 -11.854 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.390 -1.667 -12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.856 -0.754 -12.714 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.478 -3.562 -13.802 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.887 -2.155 -14.664 1.00 0.00 H new ATOM 0 HE ARG A 24 13.620 -1.685 -14.002 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.625 -3.789 -16.016 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.886 -4.014 -17.233 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.234 -1.976 -15.569 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.922 -2.991 -16.981 1.00 0.00 H new ATOM 348 N GLU A 25 12.563 -4.418 -8.973 1.00 0.00 N ATOM 349 CA GLU A 25 13.426 -5.341 -8.245 1.00 0.00 C ATOM 350 C GLU A 25 12.712 -6.665 -7.989 1.00 0.00 C ATOM 351 O GLU A 25 13.193 -7.728 -8.382 1.00 0.00 O ATOM 352 CB GLU A 25 13.867 -4.721 -6.917 1.00 0.00 C ATOM 353 CG GLU A 25 14.918 -3.635 -7.072 1.00 0.00 C ATOM 354 CD GLU A 25 15.249 -2.951 -5.760 1.00 0.00 C ATOM 355 OE1 GLU A 25 15.427 -3.663 -4.749 1.00 0.00 O ATOM 356 OE2 GLU A 25 15.328 -1.705 -5.742 1.00 0.00 O ATOM 0 H GLU A 25 12.278 -3.596 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 25 14.307 -5.535 -8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.995 -4.302 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.261 -5.506 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.826 -4.070 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.564 -2.891 -7.786 1.00 0.00 H new ATOM 363 N PHE A 26 11.563 -6.592 -7.326 1.00 0.00 N ATOM 364 CA PHE A 26 10.783 -7.784 -7.015 1.00 0.00 C ATOM 365 C PHE A 26 10.774 -8.752 -8.195 1.00 0.00 C ATOM 366 O PHE A 26 10.929 -9.960 -8.021 1.00 0.00 O ATOM 367 CB PHE A 26 9.349 -7.399 -6.646 1.00 0.00 C ATOM 368 CG PHE A 26 8.343 -8.473 -6.947 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.732 -8.540 -8.189 1.00 0.00 C ATOM 370 CD2 PHE A 26 8.008 -9.416 -5.989 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.807 -9.528 -8.471 1.00 0.00 C ATOM 372 CE2 PHE A 26 7.083 -10.406 -6.264 1.00 0.00 C ATOM 373 CZ PHE A 26 6.481 -10.461 -7.506 1.00 0.00 C ATOM 0 H PHE A 26 11.151 -5.720 -6.994 1.00 0.00 H new ATOM 0 HA PHE A 26 11.249 -8.281 -6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.307 -7.161 -5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.074 -6.493 -7.186 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.982 -7.811 -8.946 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.475 -9.377 -5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.340 -9.570 -9.444 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.831 -11.136 -5.509 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.757 -11.232 -7.722 1.00 0.00 H new ATOM 383 N GLN A 27 10.590 -8.210 -9.395 1.00 0.00 N ATOM 384 CA GLN A 27 10.559 -9.025 -10.604 1.00 0.00 C ATOM 385 C GLN A 27 11.680 -10.059 -10.592 1.00 0.00 C ATOM 386 O GLN A 27 11.444 -11.247 -10.810 1.00 0.00 O ATOM 387 CB GLN A 27 10.680 -8.139 -11.845 1.00 0.00 C ATOM 388 CG GLN A 27 9.482 -7.227 -12.060 1.00 0.00 C ATOM 389 CD GLN A 27 9.474 -6.590 -13.436 1.00 0.00 C ATOM 390 OE1 GLN A 27 10.378 -6.813 -14.242 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.450 -5.790 -13.712 1.00 0.00 N ATOM 0 H GLN A 27 10.460 -7.211 -9.556 1.00 0.00 H new ATOM 0 HA GLN A 27 9.605 -9.551 -10.633 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.580 -7.529 -11.760 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.806 -8.773 -12.723 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.565 -7.800 -11.923 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.485 -6.444 -11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.723 -5.633 -13.014 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.391 -5.332 -14.622 1.00 0.00 H new ATOM 400 N ARG A 28 12.901 -9.598 -10.336 1.00 0.00 N ATOM 401 CA ARG A 28 14.058 -10.483 -10.298 1.00 0.00 C ATOM 402 C ARG A 28 14.259 -11.055 -8.897 1.00 0.00 C ATOM 403 O ARG A 28 14.937 -12.066 -8.720 1.00 0.00 O ATOM 404 CB ARG A 28 15.316 -9.732 -10.739 1.00 0.00 C ATOM 405 CG ARG A 28 15.620 -8.505 -9.894 1.00 0.00 C ATOM 406 CD ARG A 28 15.126 -7.232 -10.563 1.00 0.00 C ATOM 407 NE ARG A 28 15.964 -6.081 -10.235 1.00 0.00 N ATOM 408 CZ ARG A 28 16.173 -5.065 -11.065 1.00 0.00 C ATOM 409 NH1 ARG A 28 15.608 -5.057 -12.264 1.00 0.00 N ATOM 410 NH2 ARG A 28 16.948 -4.054 -10.695 1.00 0.00 N ATOM 0 H ARG A 28 13.113 -8.617 -10.152 1.00 0.00 H new ATOM 0 HA ARG A 28 13.876 -11.308 -10.986 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.168 -10.411 -10.698 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.201 -9.427 -11.779 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.150 -8.610 -8.916 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.695 -8.435 -9.725 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.110 -7.373 -11.644 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.100 -7.034 -10.253 1.00 0.00 H new ATOM 0 HE ARG A 28 16.413 -6.056 -9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.011 -5.832 -12.552 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.770 -4.276 -12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.384 -4.056 -9.773 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.108 -3.274 -11.333 1.00 0.00 H new ATOM 424 N GLY A 29 13.665 -10.399 -7.905 1.00 0.00 N ATOM 425 CA GLY A 29 13.792 -10.856 -6.533 1.00 0.00 C ATOM 426 C GLY A 29 14.908 -10.152 -5.788 1.00 0.00 C ATOM 427 O GLY A 29 15.795 -10.797 -5.232 1.00 0.00 O ATOM 0 H GLY A 29 13.098 -9.560 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.850 -10.691 -6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.977 -11.930 -6.527 1.00 0.00 H new ATOM 431 N ASN A 30 14.864 -8.824 -5.777 1.00 0.00 N ATOM 432 CA ASN A 30 15.881 -8.031 -5.096 1.00 0.00 C ATOM 433 C ASN A 30 15.247 -7.108 -4.060 1.00 0.00 C ATOM 434 O ASN A 30 15.839 -6.828 -3.017 1.00 0.00 O ATOM 435 CB ASN A 30 16.678 -7.207 -6.109 1.00 0.00 C ATOM 436 CG ASN A 30 17.726 -6.332 -5.447 1.00 0.00 C ATOM 437 OD1 ASN A 30 17.842 -6.304 -4.222 1.00 0.00 O ATOM 438 ND2 ASN A 30 18.494 -5.613 -6.257 1.00 0.00 N ATOM 0 H ASN A 30 14.135 -8.274 -6.232 1.00 0.00 H new ATOM 0 HA ASN A 30 16.556 -8.715 -4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 30 17.164 -7.878 -6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.994 -6.580 -6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.216 -5.006 -5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.362 -5.668 -7.267 1.00 0.00 H new ATOM 445 N CYS A 31 14.040 -6.638 -4.354 1.00 0.00 N ATOM 446 CA CYS A 31 13.324 -5.747 -3.448 1.00 0.00 C ATOM 447 C CYS A 31 13.257 -6.338 -2.043 1.00 0.00 C ATOM 448 O CYS A 31 12.452 -7.229 -1.772 1.00 0.00 O ATOM 449 CB CYS A 31 11.911 -5.482 -3.971 1.00 0.00 C ATOM 450 SG CYS A 31 11.064 -4.092 -3.153 1.00 0.00 S ATOM 0 H CYS A 31 13.536 -6.859 -5.213 1.00 0.00 H new ATOM 0 HA CYS A 31 13.869 -4.804 -3.400 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.963 -5.283 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.313 -6.384 -3.843 1.00 0.00 H new ATOM 455 N ALA A 32 14.107 -5.835 -1.154 1.00 0.00 N ATOM 456 CA ALA A 32 14.142 -6.312 0.223 1.00 0.00 C ATOM 457 C ALA A 32 13.102 -5.596 1.078 1.00 0.00 C ATOM 458 O ALA A 32 13.203 -5.572 2.305 1.00 0.00 O ATOM 459 CB ALA A 32 15.532 -6.122 0.811 1.00 0.00 C ATOM 0 H ALA A 32 14.780 -5.098 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 32 13.902 -7.375 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.544 -6.482 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.256 -6.684 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.793 -5.064 0.794 1.00 0.00 H new ATOM 465 N ARG A 33 12.103 -5.014 0.423 1.00 0.00 N ATOM 466 CA ARG A 33 11.045 -4.296 1.124 1.00 0.00 C ATOM 467 C ARG A 33 9.711 -5.024 0.987 1.00 0.00 C ATOM 468 O ARG A 33 8.818 -4.867 1.818 1.00 0.00 O ATOM 469 CB ARG A 33 10.919 -2.872 0.580 1.00 0.00 C ATOM 470 CG ARG A 33 12.006 -1.932 1.076 1.00 0.00 C ATOM 471 CD ARG A 33 11.622 -0.476 0.867 1.00 0.00 C ATOM 472 NE ARG A 33 12.743 0.427 1.117 1.00 0.00 N ATOM 473 CZ ARG A 33 12.829 1.650 0.607 1.00 0.00 C ATOM 474 NH1 ARG A 33 11.866 2.115 -0.177 1.00 0.00 N ATOM 475 NH2 ARG A 33 13.880 2.412 0.881 1.00 0.00 N ATOM 0 H ARG A 33 12.004 -5.025 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 33 11.309 -4.252 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.948 -2.904 -0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.946 -2.469 0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.189 -2.113 2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.938 -2.143 0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.266 -0.338 -0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.796 -0.220 1.530 1.00 0.00 H new ATOM 0 HE ARG A 33 13.501 0.100 1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.056 1.533 -0.390 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.935 3.055 -0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.623 2.058 1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.945 3.351 0.489 1.00 0.00 H new ATOM 489 N GLY A 34 9.583 -5.821 -0.070 1.00 0.00 N ATOM 490 CA GLY A 34 8.355 -6.561 -0.297 1.00 0.00 C ATOM 491 C GLY A 34 7.146 -5.654 -0.412 1.00 0.00 C ATOM 492 O GLY A 34 7.220 -4.467 -0.099 1.00 0.00 O ATOM 0 H GLY A 34 10.308 -5.967 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.452 -7.150 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.201 -7.264 0.521 1.00 0.00 H new ATOM 496 N GLU A 35 6.029 -6.215 -0.865 1.00 0.00 N ATOM 497 CA GLU A 35 4.799 -5.448 -1.023 1.00 0.00 C ATOM 498 C GLU A 35 4.291 -4.951 0.327 1.00 0.00 C ATOM 499 O GLU A 35 3.321 -4.194 0.399 1.00 0.00 O ATOM 500 CB GLU A 35 3.724 -6.299 -1.703 1.00 0.00 C ATOM 501 CG GLU A 35 3.526 -7.660 -1.057 1.00 0.00 C ATOM 502 CD GLU A 35 2.106 -8.171 -1.198 1.00 0.00 C ATOM 503 OE1 GLU A 35 1.236 -7.725 -0.422 1.00 0.00 O ATOM 504 OE2 GLU A 35 1.865 -9.018 -2.084 1.00 0.00 O ATOM 0 H GLU A 35 5.951 -7.197 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 35 5.018 -4.584 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.779 -5.757 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.992 -6.439 -2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.212 -8.376 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.782 -7.597 0.001 1.00 0.00 H new ATOM 511 N THR A 36 4.952 -5.382 1.397 1.00 0.00 N ATOM 512 CA THR A 36 4.567 -4.983 2.745 1.00 0.00 C ATOM 513 C THR A 36 5.235 -3.672 3.142 1.00 0.00 C ATOM 514 O THR A 36 4.581 -2.758 3.645 1.00 0.00 O ATOM 515 CB THR A 36 4.933 -6.066 3.777 1.00 0.00 C ATOM 516 OG1 THR A 36 6.353 -6.248 3.814 1.00 0.00 O ATOM 517 CG2 THR A 36 4.256 -7.386 3.440 1.00 0.00 C ATOM 0 H THR A 36 5.757 -6.008 1.356 1.00 0.00 H new ATOM 0 HA THR A 36 3.485 -4.849 2.738 1.00 0.00 H new ATOM 0 HB THR A 36 4.584 -5.736 4.756 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.577 -6.937 4.474 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.530 -8.135 4.183 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.174 -7.251 3.442 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.578 -7.719 2.453 1.00 0.00 H new ATOM 525 N ASP A 37 6.541 -3.586 2.913 1.00 0.00 N ATOM 526 CA ASP A 37 7.298 -2.385 3.246 1.00 0.00 C ATOM 527 C ASP A 37 7.594 -1.565 1.994 1.00 0.00 C ATOM 528 O ASP A 37 8.291 -0.552 2.053 1.00 0.00 O ATOM 529 CB ASP A 37 8.605 -2.758 3.947 1.00 0.00 C ATOM 530 CG ASP A 37 9.319 -1.551 4.522 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.742 -0.888 5.409 1.00 0.00 O ATOM 532 OD2 ASP A 37 10.454 -1.268 4.085 1.00 0.00 O ATOM 0 H ASP A 37 7.097 -4.334 2.498 1.00 0.00 H new ATOM 0 HA ASP A 37 6.693 -1.779 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.395 -3.467 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.263 -3.262 3.239 1.00 0.00 H new ATOM 537 N CYS A 38 7.061 -2.011 0.861 1.00 0.00 N ATOM 538 CA CYS A 38 7.269 -1.320 -0.406 1.00 0.00 C ATOM 539 C CYS A 38 5.977 -0.666 -0.887 1.00 0.00 C ATOM 540 O CYS A 38 4.897 -1.248 -0.780 1.00 0.00 O ATOM 541 CB CYS A 38 7.784 -2.297 -1.464 1.00 0.00 C ATOM 542 SG CYS A 38 8.386 -1.496 -2.986 1.00 0.00 S ATOM 0 H CYS A 38 6.482 -2.848 0.795 1.00 0.00 H new ATOM 0 HA CYS A 38 8.013 -0.540 -0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.592 -2.889 -1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.984 -2.990 -1.723 1.00 0.00 H new ATOM 547 N ARG A 39 6.096 0.547 -1.417 1.00 0.00 N ATOM 548 CA ARG A 39 4.939 1.281 -1.914 1.00 0.00 C ATOM 549 C ARG A 39 4.476 0.723 -3.256 1.00 0.00 C ATOM 550 O ARG A 39 3.309 0.853 -3.626 1.00 0.00 O ATOM 551 CB ARG A 39 5.273 2.767 -2.055 1.00 0.00 C ATOM 552 CG ARG A 39 5.550 3.458 -0.730 1.00 0.00 C ATOM 553 CD ARG A 39 5.633 4.967 -0.895 1.00 0.00 C ATOM 554 NE ARG A 39 4.387 5.531 -1.407 1.00 0.00 N ATOM 555 CZ ARG A 39 4.030 6.799 -1.237 1.00 0.00 C ATOM 556 NH1 ARG A 39 4.820 7.631 -0.572 1.00 0.00 N ATOM 557 NH2 ARG A 39 2.880 7.238 -1.732 1.00 0.00 N ATOM 0 H ARG A 39 6.983 1.042 -1.513 1.00 0.00 H new ATOM 0 HA ARG A 39 4.130 1.164 -1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.145 2.875 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.444 3.271 -2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.762 3.212 -0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.485 3.085 -0.312 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.870 5.424 0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.449 5.213 -1.575 1.00 0.00 H new ATOM 0 HE ARG A 39 3.756 4.918 -1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.705 7.298 -0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.543 8.604 -0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.269 6.602 -2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.607 8.212 -1.601 1.00 0.00 H new ATOM 571 N PHE A 40 5.399 0.101 -3.982 1.00 0.00 N ATOM 572 CA PHE A 40 5.087 -0.476 -5.285 1.00 0.00 C ATOM 573 C PHE A 40 4.508 -1.880 -5.133 1.00 0.00 C ATOM 574 O PHE A 40 5.003 -2.685 -4.345 1.00 0.00 O ATOM 575 CB PHE A 40 6.340 -0.521 -6.160 1.00 0.00 C ATOM 576 CG PHE A 40 6.991 0.820 -6.344 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.540 1.696 -7.318 1.00 0.00 C ATOM 578 CD2 PHE A 40 8.055 1.204 -5.544 1.00 0.00 C ATOM 579 CE1 PHE A 40 7.136 2.931 -7.490 1.00 0.00 C ATOM 580 CE2 PHE A 40 8.656 2.437 -5.711 1.00 0.00 C ATOM 581 CZ PHE A 40 8.196 3.302 -6.686 1.00 0.00 C ATOM 0 H PHE A 40 6.369 -0.017 -3.690 1.00 0.00 H new ATOM 0 HA PHE A 40 4.340 0.156 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.060 -1.207 -5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.077 -0.925 -7.137 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.713 1.410 -7.951 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.419 0.532 -4.781 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.773 3.605 -8.252 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.484 2.725 -5.080 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.664 4.266 -6.819 1.00 0.00 H new ATOM 591 N ALA A 41 3.456 -2.165 -5.893 1.00 0.00 N ATOM 592 CA ALA A 41 2.810 -3.471 -5.844 1.00 0.00 C ATOM 593 C ALA A 41 3.698 -4.546 -6.461 1.00 0.00 C ATOM 594 O ALA A 41 4.361 -4.313 -7.472 1.00 0.00 O ATOM 595 CB ALA A 41 1.466 -3.422 -6.556 1.00 0.00 C ATOM 0 H ALA A 41 3.033 -1.509 -6.550 1.00 0.00 H new ATOM 0 HA ALA A 41 2.646 -3.728 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.995 -4.404 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.823 -2.689 -6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.616 -3.138 -7.598 1.00 0.00 H new ATOM 601 N HIS A 42 3.708 -5.724 -5.845 1.00 0.00 N ATOM 602 CA HIS A 42 4.516 -6.836 -6.334 1.00 0.00 C ATOM 603 C HIS A 42 3.634 -7.923 -6.941 1.00 0.00 C ATOM 604 O HIS A 42 3.034 -8.734 -6.236 1.00 0.00 O ATOM 605 CB HIS A 42 5.358 -7.420 -5.199 1.00 0.00 C ATOM 606 CG HIS A 42 6.423 -6.491 -4.704 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.528 -6.920 -4.001 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.548 -5.148 -4.816 1.00 0.00 C ATOM 609 CE1 HIS A 42 8.287 -5.881 -3.699 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.714 -4.793 -4.183 1.00 0.00 N ATOM 0 H HIS A 42 3.166 -5.933 -5.007 1.00 0.00 H new ATOM 0 HA HIS A 42 5.180 -6.456 -7.111 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.702 -7.683 -4.369 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.824 -8.344 -5.542 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.729 -7.889 -3.752 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.859 -4.480 -5.311 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.217 -5.915 -3.150 1.00 0.00 H new ATOM 618 N PRO A 43 3.552 -7.940 -8.280 1.00 0.00 N ATOM 619 CA PRO A 43 2.746 -8.923 -9.011 1.00 0.00 C ATOM 620 C PRO A 43 3.331 -10.328 -8.930 1.00 0.00 C ATOM 621 O PRO A 43 4.068 -10.755 -9.818 1.00 0.00 O ATOM 622 CB PRO A 43 2.783 -8.410 -10.452 1.00 0.00 C ATOM 623 CG PRO A 43 4.042 -7.618 -10.541 1.00 0.00 C ATOM 624 CD PRO A 43 4.241 -7.003 -9.183 1.00 0.00 C ATOM 0 HA PRO A 43 1.740 -9.011 -8.601 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.783 -9.234 -11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.912 -7.794 -10.675 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.885 -8.255 -10.809 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.966 -6.849 -11.310 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.298 -6.910 -8.935 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.812 -6.003 -9.128 1.00 0.00 H new ATOM 632 N ALA A 44 2.997 -11.043 -7.861 1.00 0.00 N ATOM 633 CA ALA A 44 3.488 -12.402 -7.666 1.00 0.00 C ATOM 634 C ALA A 44 2.376 -13.423 -7.878 1.00 0.00 C ATOM 635 O ALA A 44 2.587 -14.465 -8.498 1.00 0.00 O ATOM 636 CB ALA A 44 4.087 -12.552 -6.276 1.00 0.00 C ATOM 0 H ALA A 44 2.388 -10.704 -7.116 1.00 0.00 H new ATOM 0 HA ALA A 44 4.265 -12.591 -8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.450 -13.571 -6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.916 -11.854 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.325 -12.338 -5.526 1.00 0.00 H new ATOM 642 N ASP A 45 1.191 -13.117 -7.360 1.00 0.00 N ATOM 643 CA ASP A 45 0.045 -14.009 -7.493 1.00 0.00 C ATOM 644 C ASP A 45 -0.051 -14.562 -8.912 1.00 0.00 C ATOM 645 O ASP A 45 -0.202 -15.768 -9.109 1.00 0.00 O ATOM 646 CB ASP A 45 -1.246 -13.272 -7.132 1.00 0.00 C ATOM 647 CG ASP A 45 -2.387 -14.221 -6.823 1.00 0.00 C ATOM 648 OD1 ASP A 45 -2.115 -15.337 -6.332 1.00 0.00 O ATOM 649 OD2 ASP A 45 -3.552 -13.848 -7.071 1.00 0.00 O ATOM 0 H ASP A 45 0.999 -12.258 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 45 0.183 -14.843 -6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.066 -12.631 -6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.532 -12.621 -7.958 1.00 0.00 H new ATOM 654 N SER A 46 0.037 -13.673 -9.896 1.00 0.00 N ATOM 655 CA SER A 46 -0.045 -14.072 -11.296 1.00 0.00 C ATOM 656 C SER A 46 0.741 -13.109 -12.182 1.00 0.00 C ATOM 657 O SER A 46 1.255 -12.093 -11.713 1.00 0.00 O ATOM 658 CB SER A 46 -1.505 -14.124 -11.749 1.00 0.00 C ATOM 659 OG SER A 46 -2.266 -14.983 -10.918 1.00 0.00 O ATOM 0 H SER A 46 0.165 -12.672 -9.750 1.00 0.00 H new ATOM 0 HA SER A 46 0.393 -15.066 -11.391 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.931 -13.121 -11.728 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.557 -14.471 -12.781 1.00 0.00 H new ATOM 0 HG SER A 46 -3.196 -14.998 -11.227 1.00 0.00 H new ATOM 665 N THR A 47 0.830 -13.437 -13.467 1.00 0.00 N ATOM 666 CA THR A 47 1.553 -12.604 -14.420 1.00 0.00 C ATOM 667 C THR A 47 0.721 -11.396 -14.836 1.00 0.00 C ATOM 668 O THR A 47 0.624 -11.076 -16.020 1.00 0.00 O ATOM 669 CB THR A 47 1.945 -13.401 -15.678 1.00 0.00 C ATOM 670 OG1 THR A 47 2.324 -14.733 -15.316 1.00 0.00 O ATOM 671 CG2 THR A 47 3.094 -12.724 -16.411 1.00 0.00 C ATOM 0 H THR A 47 0.410 -14.274 -13.872 1.00 0.00 H new ATOM 0 HA THR A 47 2.459 -12.263 -13.918 1.00 0.00 H new ATOM 0 HB THR A 47 1.081 -13.437 -16.342 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.570 -15.234 -16.122 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.354 -13.305 -17.296 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.793 -11.720 -16.711 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.960 -12.661 -15.752 1.00 0.00 H new ATOM 679 N MET A 48 0.123 -10.729 -13.855 1.00 0.00 N ATOM 680 CA MET A 48 -0.700 -9.554 -14.121 1.00 0.00 C ATOM 681 C MET A 48 0.158 -8.295 -14.192 1.00 0.00 C ATOM 682 O MET A 48 0.244 -7.537 -13.226 1.00 0.00 O ATOM 683 CB MET A 48 -1.768 -9.397 -13.036 1.00 0.00 C ATOM 684 CG MET A 48 -3.022 -10.216 -13.296 1.00 0.00 C ATOM 685 SD MET A 48 -4.223 -9.341 -14.318 1.00 0.00 S ATOM 686 CE MET A 48 -4.703 -8.013 -13.216 1.00 0.00 C ATOM 0 H MET A 48 0.192 -10.981 -12.869 1.00 0.00 H new ATOM 0 HA MET A 48 -1.189 -9.694 -15.085 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.345 -9.691 -12.075 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.041 -8.345 -12.956 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.746 -11.150 -13.785 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.484 -10.479 -12.344 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.787 -8.007 -13.104 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.239 -8.163 -12.241 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.375 -7.060 -13.631 1.00 0.00 H new ATOM 696 N ILE A 49 0.789 -8.079 -15.341 1.00 0.00 N ATOM 697 CA ILE A 49 1.639 -6.911 -15.537 1.00 0.00 C ATOM 698 C ILE A 49 1.407 -6.286 -16.908 1.00 0.00 C ATOM 699 O ILE A 49 1.239 -6.992 -17.903 1.00 0.00 O ATOM 700 CB ILE A 49 3.130 -7.269 -15.394 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.431 -7.737 -13.969 1.00 0.00 C ATOM 702 CG2 ILE A 49 3.999 -6.075 -15.760 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.783 -8.399 -13.823 1.00 0.00 C ATOM 0 H ILE A 49 0.728 -8.697 -16.150 1.00 0.00 H new ATOM 0 HA ILE A 49 1.371 -6.192 -14.763 1.00 0.00 H new ATOM 0 HB ILE A 49 3.360 -8.085 -16.080 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.380 -6.881 -13.296 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.657 -8.437 -13.654 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.050 -6.344 -15.654 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.801 -5.784 -16.792 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.769 -5.241 -15.097 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.928 -8.705 -12.787 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.831 -9.275 -14.470 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.565 -7.695 -14.106 1.00 0.00 H new ATOM 715 N ASP A 50 1.400 -4.959 -16.954 1.00 0.00 N ATOM 716 CA ASP A 50 1.191 -4.237 -18.204 1.00 0.00 C ATOM 717 C ASP A 50 2.513 -4.021 -18.934 1.00 0.00 C ATOM 718 O ASP A 50 3.368 -3.259 -18.481 1.00 0.00 O ATOM 719 CB ASP A 50 0.517 -2.891 -17.935 1.00 0.00 C ATOM 720 CG ASP A 50 -0.932 -3.044 -17.516 1.00 0.00 C ATOM 721 OD1 ASP A 50 -1.282 -4.108 -16.965 1.00 0.00 O ATOM 722 OD2 ASP A 50 -1.716 -2.098 -17.740 1.00 0.00 O ATOM 0 H ASP A 50 1.537 -4.360 -16.140 1.00 0.00 H new ATOM 0 HA ASP A 50 0.540 -4.839 -18.838 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.064 -2.363 -17.154 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.570 -2.275 -18.833 1.00 0.00 H new ATOM 727 N THR A 51 2.676 -4.698 -20.067 1.00 0.00 N ATOM 728 CA THR A 51 3.894 -4.581 -20.858 1.00 0.00 C ATOM 729 C THR A 51 3.993 -3.210 -21.517 1.00 0.00 C ATOM 730 O THR A 51 4.955 -2.921 -22.228 1.00 0.00 O ATOM 731 CB THR A 51 3.962 -5.668 -21.948 1.00 0.00 C ATOM 732 OG1 THR A 51 2.780 -5.627 -22.755 1.00 0.00 O ATOM 733 CG2 THR A 51 4.110 -7.049 -21.327 1.00 0.00 C ATOM 0 H THR A 51 1.979 -5.333 -20.457 1.00 0.00 H new ATOM 0 HA THR A 51 4.730 -4.712 -20.171 1.00 0.00 H new ATOM 0 HB THR A 51 4.834 -5.472 -22.571 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.832 -6.320 -23.446 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.156 -7.800 -22.116 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.026 -7.086 -20.737 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.255 -7.252 -20.683 1.00 0.00 H new ATOM 741 N SER A 52 2.993 -2.369 -21.275 1.00 0.00 N ATOM 742 CA SER A 52 2.967 -1.028 -21.848 1.00 0.00 C ATOM 743 C SER A 52 3.584 -0.015 -20.888 1.00 0.00 C ATOM 744 O SER A 52 4.466 0.756 -21.266 1.00 0.00 O ATOM 745 CB SER A 52 1.530 -0.622 -22.181 1.00 0.00 C ATOM 746 OG SER A 52 1.447 0.762 -22.475 1.00 0.00 O ATOM 0 H SER A 52 2.190 -2.592 -20.686 1.00 0.00 H new ATOM 0 HA SER A 52 3.556 -1.039 -22.765 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.173 -1.200 -23.033 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.878 -0.858 -21.340 1.00 0.00 H new ATOM 0 HG SER A 52 0.519 0.997 -22.686 1.00 0.00 H new ATOM 752 N ASP A 53 3.113 -0.024 -19.646 1.00 0.00 N ATOM 753 CA ASP A 53 3.619 0.893 -18.631 1.00 0.00 C ATOM 754 C ASP A 53 4.054 0.133 -17.381 1.00 0.00 C ATOM 755 O ASP A 53 4.077 0.688 -16.283 1.00 0.00 O ATOM 756 CB ASP A 53 2.551 1.926 -18.269 1.00 0.00 C ATOM 757 CG ASP A 53 2.577 3.132 -19.187 1.00 0.00 C ATOM 758 OD1 ASP A 53 2.051 3.030 -20.316 1.00 0.00 O ATOM 759 OD2 ASP A 53 3.123 4.177 -18.778 1.00 0.00 O ATOM 0 H ASP A 53 2.382 -0.655 -19.318 1.00 0.00 H new ATOM 0 HA ASP A 53 4.487 1.408 -19.042 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.567 1.459 -18.316 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.700 2.253 -17.240 1.00 0.00 H new ATOM 764 N ASN A 54 4.396 -1.139 -17.557 1.00 0.00 N ATOM 765 CA ASN A 54 4.828 -1.975 -16.443 1.00 0.00 C ATOM 766 C ASN A 54 4.042 -1.645 -15.178 1.00 0.00 C ATOM 767 O ASN A 54 4.578 -1.689 -14.070 1.00 0.00 O ATOM 768 CB ASN A 54 6.325 -1.789 -16.189 1.00 0.00 C ATOM 769 CG ASN A 54 6.610 -0.676 -15.198 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.320 0.492 -15.460 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.180 -1.035 -14.054 1.00 0.00 N ATOM 0 H ASN A 54 4.382 -1.613 -18.460 1.00 0.00 H new ATOM 0 HA ASN A 54 4.637 -3.015 -16.707 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.746 -2.722 -15.814 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.826 -1.569 -17.132 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.396 -0.331 -13.348 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.402 -2.015 -13.881 1.00 0.00 H new ATOM 778 N THR A 55 2.765 -1.315 -15.350 1.00 0.00 N ATOM 779 CA THR A 55 1.904 -0.977 -14.224 1.00 0.00 C ATOM 780 C THR A 55 0.701 -1.910 -14.152 1.00 0.00 C ATOM 781 O THR A 55 0.486 -2.732 -15.044 1.00 0.00 O ATOM 782 CB THR A 55 1.407 0.478 -14.313 1.00 0.00 C ATOM 783 OG1 THR A 55 0.956 0.761 -15.642 1.00 0.00 O ATOM 784 CG2 THR A 55 2.511 1.451 -13.929 1.00 0.00 C ATOM 0 H THR A 55 2.305 -1.275 -16.259 1.00 0.00 H new ATOM 0 HA THR A 55 2.504 -1.093 -13.322 1.00 0.00 H new ATOM 0 HB THR A 55 0.579 0.599 -13.615 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.640 1.687 -15.690 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.137 2.472 -13.999 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.832 1.252 -12.907 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.357 1.327 -14.605 1.00 0.00 H new ATOM 792 N VAL A 56 -0.082 -1.778 -13.086 1.00 0.00 N ATOM 793 CA VAL A 56 -1.266 -2.609 -12.900 1.00 0.00 C ATOM 794 C VAL A 56 -2.476 -1.763 -12.518 1.00 0.00 C ATOM 795 O VAL A 56 -2.343 -0.729 -11.862 1.00 0.00 O ATOM 796 CB VAL A 56 -1.037 -3.677 -11.814 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.036 -4.662 -12.252 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.663 -3.022 -10.493 1.00 0.00 C ATOM 0 H VAL A 56 0.082 -1.104 -12.338 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.458 -3.105 -13.852 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.966 -4.228 -11.670 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.184 -5.409 -11.472 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.277 -5.155 -13.172 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.971 -4.129 -12.426 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.505 -3.791 -9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.253 -2.444 -10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.468 -2.360 -10.174 1.00 0.00 H new ATOM 808 N THR A 57 -3.657 -2.209 -12.932 1.00 0.00 N ATOM 809 CA THR A 57 -4.892 -1.494 -12.635 1.00 0.00 C ATOM 810 C THR A 57 -5.343 -1.748 -11.201 1.00 0.00 C ATOM 811 O THR A 57 -4.978 -2.756 -10.595 1.00 0.00 O ATOM 812 CB THR A 57 -6.023 -1.901 -13.597 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.534 -1.935 -14.943 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.191 -0.931 -13.502 1.00 0.00 C ATOM 0 H THR A 57 -3.785 -3.063 -13.475 1.00 0.00 H new ATOM 0 HA THR A 57 -4.681 -0.432 -12.764 1.00 0.00 H new ATOM 0 HB THR A 57 -6.371 -2.894 -13.312 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.259 -2.196 -15.548 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.977 -1.240 -14.191 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.581 -0.929 -12.484 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.853 0.072 -13.763 1.00 0.00 H new ATOM 822 N VAL A 58 -6.139 -0.830 -10.664 1.00 0.00 N ATOM 823 CA VAL A 58 -6.642 -0.956 -9.302 1.00 0.00 C ATOM 824 C VAL A 58 -8.163 -1.056 -9.284 1.00 0.00 C ATOM 825 O VAL A 58 -8.852 -0.341 -10.013 1.00 0.00 O ATOM 826 CB VAL A 58 -6.207 0.237 -8.430 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.772 0.105 -7.024 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.690 0.347 -8.396 1.00 0.00 C ATOM 0 H VAL A 58 -6.450 0.010 -11.152 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.216 -1.871 -8.891 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.605 1.151 -8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.454 0.957 -6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.861 0.080 -7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.407 -0.816 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.401 1.195 -7.776 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.268 -0.568 -7.980 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.313 0.493 -9.408 1.00 0.00 H new ATOM 838 N CYS A 59 -8.683 -1.948 -8.447 1.00 0.00 N ATOM 839 CA CYS A 59 -10.123 -2.143 -8.333 1.00 0.00 C ATOM 840 C CYS A 59 -10.748 -1.074 -7.441 1.00 0.00 C ATOM 841 O CYS A 59 -10.716 -1.178 -6.215 1.00 0.00 O ATOM 842 CB CYS A 59 -10.427 -3.533 -7.772 1.00 0.00 C ATOM 843 SG CYS A 59 -12.196 -3.969 -7.786 1.00 0.00 S ATOM 0 H CYS A 59 -8.127 -2.548 -7.837 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.556 -2.058 -9.330 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.876 -4.275 -8.350 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.058 -3.589 -6.748 1.00 0.00 H new ATOM 848 N MET A 60 -11.315 -0.047 -8.066 1.00 0.00 N ATOM 849 CA MET A 60 -11.948 1.040 -7.328 1.00 0.00 C ATOM 850 C MET A 60 -12.917 0.496 -6.283 1.00 0.00 C ATOM 851 O MET A 60 -12.811 0.816 -5.099 1.00 0.00 O ATOM 852 CB MET A 60 -12.688 1.973 -8.289 1.00 0.00 C ATOM 853 CG MET A 60 -13.274 3.202 -7.612 1.00 0.00 C ATOM 854 SD MET A 60 -12.129 4.594 -7.588 1.00 0.00 S ATOM 855 CE MET A 60 -10.971 4.059 -6.330 1.00 0.00 C ATOM 0 H MET A 60 -11.349 0.055 -9.080 1.00 0.00 H new ATOM 0 HA MET A 60 -11.167 1.602 -6.816 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.001 2.293 -9.073 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.491 1.418 -8.775 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.187 3.496 -8.130 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.555 2.950 -6.589 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.544 4.931 -5.834 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.490 3.443 -5.596 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.174 3.478 -6.793 1.00 0.00 H new ATOM 865 N ASP A 61 -13.859 -0.328 -6.728 1.00 0.00 N ATOM 866 CA ASP A 61 -14.846 -0.917 -5.830 1.00 0.00 C ATOM 867 C ASP A 61 -14.170 -1.536 -4.611 1.00 0.00 C ATOM 868 O ASP A 61 -14.414 -1.123 -3.477 1.00 0.00 O ATOM 869 CB ASP A 61 -15.668 -1.976 -6.566 1.00 0.00 C ATOM 870 CG ASP A 61 -16.863 -1.384 -7.287 1.00 0.00 C ATOM 871 OD1 ASP A 61 -17.397 -0.362 -6.809 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.265 -1.943 -8.329 1.00 0.00 O ATOM 0 H ASP A 61 -13.960 -0.603 -7.705 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.511 -0.124 -5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.031 -2.490 -7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.012 -2.725 -5.853 1.00 0.00 H new ATOM 877 N TYR A 62 -13.321 -2.528 -4.852 1.00 0.00 N ATOM 878 CA TYR A 62 -12.613 -3.207 -3.773 1.00 0.00 C ATOM 879 C TYR A 62 -12.173 -2.215 -2.701 1.00 0.00 C ATOM 880 O TYR A 62 -12.389 -2.436 -1.509 1.00 0.00 O ATOM 881 CB TYR A 62 -11.396 -3.952 -4.324 1.00 0.00 C ATOM 882 CG TYR A 62 -10.514 -4.549 -3.250 1.00 0.00 C ATOM 883 CD1 TYR A 62 -11.047 -5.359 -2.256 1.00 0.00 C ATOM 884 CD2 TYR A 62 -9.146 -4.302 -3.230 1.00 0.00 C ATOM 885 CE1 TYR A 62 -10.245 -5.906 -1.273 1.00 0.00 C ATOM 886 CE2 TYR A 62 -8.337 -4.845 -2.252 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.891 -5.646 -1.275 1.00 0.00 C ATOM 888 OH TYR A 62 -8.088 -6.189 -0.298 1.00 0.00 O ATOM 0 H TYR A 62 -13.106 -2.880 -5.785 1.00 0.00 H new ATOM 0 HA TYR A 62 -13.296 -3.925 -3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.737 -4.748 -4.986 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.804 -3.266 -4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -12.107 -5.565 -2.251 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.709 -3.675 -3.993 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.676 -6.534 -0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.276 -4.644 -2.252 1.00 0.00 H new ATOM 0 HH TYR A 62 -7.149 -6.115 -0.568 1.00 0.00 H new ATOM 898 N ILE A 63 -11.556 -1.121 -3.134 1.00 0.00 N ATOM 899 CA ILE A 63 -11.087 -0.093 -2.213 1.00 0.00 C ATOM 900 C ILE A 63 -12.219 0.402 -1.320 1.00 0.00 C ATOM 901 O ILE A 63 -12.021 0.662 -0.133 1.00 0.00 O ATOM 902 CB ILE A 63 -10.481 1.105 -2.967 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.279 0.657 -3.801 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.076 2.197 -1.988 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.177 0.024 -2.980 1.00 0.00 C ATOM 0 H ILE A 63 -11.369 -0.924 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.314 -0.551 -1.596 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.236 1.510 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.615 -0.055 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.875 1.518 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.649 3.037 -2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.953 2.533 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.335 1.805 -1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.357 -0.269 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.814 0.741 -2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.565 -0.857 -2.468 1.00 0.00 H new ATOM 917 N LYS A 64 -13.409 0.529 -1.898 1.00 0.00 N ATOM 918 CA LYS A 64 -14.576 0.990 -1.155 1.00 0.00 C ATOM 919 C LYS A 64 -14.942 0.004 -0.050 1.00 0.00 C ATOM 920 O LYS A 64 -15.539 0.380 0.958 1.00 0.00 O ATOM 921 CB LYS A 64 -15.765 1.179 -2.099 1.00 0.00 C ATOM 922 CG LYS A 64 -15.557 2.279 -3.126 1.00 0.00 C ATOM 923 CD LYS A 64 -15.530 3.652 -2.475 1.00 0.00 C ATOM 924 CE LYS A 64 -16.921 4.094 -2.048 1.00 0.00 C ATOM 925 NZ LYS A 64 -17.703 4.646 -3.189 1.00 0.00 N ATOM 0 H LYS A 64 -13.591 0.319 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.329 1.947 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.959 0.240 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.653 1.407 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.621 2.109 -3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.356 2.242 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.871 3.631 -1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.115 4.379 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.455 3.247 -1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.838 4.849 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.645 4.936 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.206 5.470 -3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.804 3.918 -3.925 1.00 0.00 H new ATOM 939 N GLY A 65 -14.579 -1.260 -0.247 1.00 0.00 N ATOM 940 CA GLY A 65 -14.877 -2.280 0.741 1.00 0.00 C ATOM 941 C GLY A 65 -15.715 -3.409 0.175 1.00 0.00 C ATOM 942 O GLY A 65 -15.751 -4.505 0.735 1.00 0.00 O ATOM 0 H GLY A 65 -14.084 -1.595 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.944 -2.685 1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.404 -1.826 1.580 1.00 0.00 H new ATOM 946 N ARG A 66 -16.392 -3.141 -0.937 1.00 0.00 N ATOM 947 CA ARG A 66 -17.236 -4.143 -1.577 1.00 0.00 C ATOM 948 C ARG A 66 -16.889 -4.281 -3.057 1.00 0.00 C ATOM 949 O ARG A 66 -17.202 -3.404 -3.863 1.00 0.00 O ATOM 950 CB ARG A 66 -18.712 -3.772 -1.421 1.00 0.00 C ATOM 951 CG ARG A 66 -19.054 -2.393 -1.961 1.00 0.00 C ATOM 952 CD ARG A 66 -20.461 -1.973 -1.566 1.00 0.00 C ATOM 953 NE ARG A 66 -20.611 -0.521 -1.536 1.00 0.00 N ATOM 954 CZ ARG A 66 -21.778 0.100 -1.666 1.00 0.00 C ATOM 955 NH1 ARG A 66 -22.891 -0.602 -1.832 1.00 0.00 N ATOM 956 NH2 ARG A 66 -21.834 1.425 -1.629 1.00 0.00 N ATOM 0 H ARG A 66 -16.373 -2.239 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.055 -5.100 -1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.321 -4.515 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.979 -3.816 -0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.336 -1.665 -1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.965 -2.394 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -21.177 -2.397 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.699 -2.382 -0.584 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.774 0.048 -1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -22.852 -1.621 -1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -23.786 -0.123 -1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.980 1.968 -1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -22.731 1.901 -1.729 1.00 0.00 H new ATOM 970 N CYS A 67 -16.240 -5.386 -3.407 1.00 0.00 N ATOM 971 CA CYS A 67 -15.849 -5.640 -4.788 1.00 0.00 C ATOM 972 C CYS A 67 -16.703 -6.746 -5.401 1.00 0.00 C ATOM 973 O CYS A 67 -16.425 -7.931 -5.219 1.00 0.00 O ATOM 974 CB CYS A 67 -14.370 -6.024 -4.859 1.00 0.00 C ATOM 975 SG CYS A 67 -13.923 -6.991 -6.337 1.00 0.00 S ATOM 0 H CYS A 67 -15.973 -6.121 -2.752 1.00 0.00 H new ATOM 0 HA CYS A 67 -16.008 -4.725 -5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.768 -5.115 -4.837 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -14.112 -6.599 -3.970 1.00 0.00 H new ATOM 980 N MET A 68 -17.743 -6.350 -6.128 1.00 0.00 N ATOM 981 CA MET A 68 -18.636 -7.308 -6.769 1.00 0.00 C ATOM 982 C MET A 68 -18.762 -7.019 -8.261 1.00 0.00 C ATOM 983 O MET A 68 -19.783 -7.324 -8.878 1.00 0.00 O ATOM 984 CB MET A 68 -20.017 -7.268 -6.111 1.00 0.00 C ATOM 985 CG MET A 68 -20.834 -8.530 -6.339 1.00 0.00 C ATOM 986 SD MET A 68 -22.467 -8.445 -5.579 1.00 0.00 S ATOM 987 CE MET A 68 -23.242 -7.179 -6.581 1.00 0.00 C ATOM 0 H MET A 68 -17.988 -5.373 -6.288 1.00 0.00 H new ATOM 0 HA MET A 68 -18.211 -8.304 -6.645 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.896 -7.112 -5.039 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.570 -6.412 -6.497 1.00 0.00 H new ATOM 0 HG2 MET A 68 -20.944 -8.699 -7.410 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.294 -9.386 -5.935 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.323 -7.219 -6.446 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.875 -6.199 -6.277 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.001 -7.347 -7.631 1.00 0.00 H new ATOM 997 N ARG A 69 -17.719 -6.430 -8.836 1.00 0.00 N ATOM 998 CA ARG A 69 -17.714 -6.099 -10.256 1.00 0.00 C ATOM 999 C ARG A 69 -17.932 -7.347 -11.106 1.00 0.00 C ATOM 1000 O ARG A 69 -17.297 -8.378 -10.885 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.393 -5.431 -10.641 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.416 -3.916 -10.512 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.257 -3.276 -11.258 1.00 0.00 C ATOM 1004 NE ARG A 69 -15.563 -3.069 -12.671 1.00 0.00 N ATOM 1005 CZ ARG A 69 -16.237 -2.021 -13.132 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -16.672 -1.089 -12.296 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -16.476 -1.904 -14.432 1.00 0.00 N ATOM 0 H ARG A 69 -16.866 -6.172 -8.340 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.533 -5.405 -10.444 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.597 -5.829 -10.011 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -16.148 -5.696 -11.669 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.358 -3.531 -10.902 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.370 -3.639 -9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.013 -2.319 -10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.374 -3.909 -11.167 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.241 -3.768 -13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.490 -1.175 -11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.189 -0.285 -12.652 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -16.142 -2.619 -15.078 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.994 -1.099 -14.785 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.834 -7.246 -12.077 1.00 0.00 N ATOM 1022 CA GLU A 70 -19.136 -8.367 -12.958 1.00 0.00 C ATOM 1023 C GLU A 70 -17.863 -8.915 -13.598 1.00 0.00 C ATOM 1024 O GLU A 70 -17.436 -8.450 -14.655 1.00 0.00 O ATOM 1025 CB GLU A 70 -20.123 -7.939 -14.046 1.00 0.00 C ATOM 1026 CG GLU A 70 -20.294 -8.967 -15.152 1.00 0.00 C ATOM 1027 CD GLU A 70 -20.939 -8.385 -16.395 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -22.186 -8.369 -16.463 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -20.198 -7.946 -17.298 1.00 0.00 O ATOM 0 H GLU A 70 -19.368 -6.399 -12.273 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.589 -9.156 -12.357 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -21.093 -7.745 -13.589 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -19.784 -7.000 -14.484 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -19.320 -9.380 -15.412 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -20.903 -9.793 -14.784 1.00 0.00 H new ATOM 1036 N LYS A 71 -17.260 -9.905 -12.949 1.00 0.00 N ATOM 1037 CA LYS A 71 -16.037 -10.518 -13.452 1.00 0.00 C ATOM 1038 C LYS A 71 -14.838 -9.602 -13.227 1.00 0.00 C ATOM 1039 O LYS A 71 -14.055 -9.351 -14.144 1.00 0.00 O ATOM 1040 CB LYS A 71 -16.177 -10.836 -14.942 1.00 0.00 C ATOM 1041 CG LYS A 71 -15.376 -12.049 -15.383 1.00 0.00 C ATOM 1042 CD LYS A 71 -15.224 -12.097 -16.894 1.00 0.00 C ATOM 1043 CE LYS A 71 -16.361 -12.872 -17.544 1.00 0.00 C ATOM 1044 NZ LYS A 71 -16.440 -12.616 -19.009 1.00 0.00 N ATOM 0 H LYS A 71 -17.599 -10.300 -12.072 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.872 -11.445 -12.903 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.229 -11.003 -15.172 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.857 -9.970 -15.521 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.391 -12.024 -14.918 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.869 -12.957 -15.037 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.200 -11.082 -17.291 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.272 -12.562 -17.151 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.220 -13.939 -17.369 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.305 -12.594 -17.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.227 -13.162 -19.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.600 -11.602 -19.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.549 -12.905 -19.460 1.00 0.00 H new ATOM 1058 N CYS A 72 -14.698 -9.107 -12.002 1.00 0.00 N ATOM 1059 CA CYS A 72 -13.594 -8.220 -11.657 1.00 0.00 C ATOM 1060 C CYS A 72 -12.287 -8.715 -12.268 1.00 0.00 C ATOM 1061 O CYS A 72 -11.932 -9.887 -12.140 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.452 -8.117 -10.137 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.953 -7.240 -9.588 1.00 0.00 S ATOM 0 H CYS A 72 -15.336 -9.305 -11.231 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.813 -7.233 -12.063 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.327 -7.606 -9.735 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.448 -9.122 -9.714 1.00 0.00 H new ATOM 1068 N LYS A 73 -11.573 -7.814 -12.935 1.00 0.00 N ATOM 1069 CA LYS A 73 -10.304 -8.156 -13.566 1.00 0.00 C ATOM 1070 C LYS A 73 -9.238 -7.114 -13.244 1.00 0.00 C ATOM 1071 O LYS A 73 -8.476 -6.701 -14.119 1.00 0.00 O ATOM 1072 CB LYS A 73 -10.480 -8.271 -15.082 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.813 -6.952 -15.757 1.00 0.00 C ATOM 1074 CD LYS A 73 -11.310 -7.163 -17.177 1.00 0.00 C ATOM 1075 CE LYS A 73 -10.157 -7.370 -18.147 1.00 0.00 C ATOM 1076 NZ LYS A 73 -10.637 -7.676 -19.523 1.00 0.00 N ATOM 0 H LYS A 73 -11.852 -6.840 -13.052 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.977 -9.118 -13.170 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.564 -8.671 -15.516 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.273 -8.988 -15.294 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.574 -6.428 -15.178 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.928 -6.316 -15.771 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.972 -8.029 -17.207 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.899 -6.301 -17.489 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.537 -6.474 -18.170 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.526 -8.185 -17.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.821 -7.810 -20.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.208 -8.545 -19.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.218 -6.887 -19.872 1.00 0.00 H new ATOM 1090 N TYR A 74 -9.188 -6.694 -11.985 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.216 -5.699 -11.549 1.00 0.00 C ATOM 1092 C TYR A 74 -7.405 -6.214 -10.364 1.00 0.00 C ATOM 1093 O TYR A 74 -7.832 -7.123 -9.651 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.922 -4.397 -11.170 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.781 -3.829 -12.278 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -9.279 -3.679 -13.565 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -11.094 -3.445 -12.038 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -10.060 -3.160 -14.580 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -11.883 -2.927 -13.047 1.00 0.00 C ATOM 1100 CZ TYR A 74 -11.361 -2.786 -14.316 1.00 0.00 C ATOM 1101 OH TYR A 74 -12.143 -2.271 -15.325 1.00 0.00 O ATOM 0 H TYR A 74 -9.810 -7.027 -11.248 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.534 -5.507 -12.378 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.545 -4.573 -10.293 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.174 -3.657 -10.886 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.261 -3.973 -13.776 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.505 -3.553 -11.045 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.654 -3.048 -15.574 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -12.902 -2.634 -12.843 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.033 -2.059 -14.973 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.231 -5.625 -10.158 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.358 -6.023 -9.060 1.00 0.00 C ATOM 1113 C PHE A 75 -5.871 -5.475 -7.732 1.00 0.00 C ATOM 1114 O PHE A 75 -6.396 -4.363 -7.667 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.931 -5.531 -9.311 1.00 0.00 C ATOM 1116 CG PHE A 75 -3.043 -5.626 -8.103 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.312 -6.776 -7.853 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.940 -4.565 -7.217 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.494 -6.866 -6.742 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -2.124 -4.649 -6.106 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.400 -5.802 -5.867 1.00 0.00 C ATOM 0 H PHE A 75 -5.863 -4.871 -10.737 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.355 -7.112 -9.007 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.492 -6.113 -10.121 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.966 -4.494 -9.646 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.382 -7.612 -8.534 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.504 -3.662 -7.398 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.929 -7.768 -6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.052 -3.814 -5.424 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.762 -5.870 -4.998 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.715 -6.263 -6.673 1.00 0.00 N ATOM 1132 CA HIS A 76 -6.162 -5.858 -5.345 1.00 0.00 C ATOM 1133 C HIS A 76 -4.972 -5.618 -4.421 1.00 0.00 C ATOM 1134 O HIS A 76 -4.286 -6.549 -3.998 1.00 0.00 O ATOM 1135 CB HIS A 76 -7.081 -6.923 -4.746 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.465 -6.911 -5.319 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.544 -7.498 -4.693 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.943 -6.376 -6.467 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.626 -7.327 -5.432 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.288 -6.649 -6.514 1.00 0.00 N ATOM 0 H HIS A 76 -5.282 -7.186 -6.709 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.716 -4.925 -5.444 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.638 -7.906 -4.908 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.142 -6.774 -3.668 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.512 -7.988 -3.799 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.373 -5.835 -7.208 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.618 -7.681 -5.192 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.720 -4.340 -4.099 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.612 -3.948 -3.222 1.00 0.00 C ATOM 1150 C PRO A 77 -3.842 -4.370 -1.775 1.00 0.00 C ATOM 1151 O PRO A 77 -4.955 -4.707 -1.370 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.591 -2.422 -3.338 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.984 -2.052 -3.715 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.497 -3.180 -4.567 1.00 0.00 C ATOM 0 HA PRO A 77 -2.675 -4.424 -3.511 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.299 -1.957 -2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.876 -2.092 -4.092 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.605 -1.918 -2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.003 -1.110 -4.263 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.568 -3.332 -4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.335 -2.989 -5.628 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.766 -4.351 -0.975 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.826 -4.727 0.441 1.00 0.00 C ATOM 1164 C PRO A 78 -3.589 -3.709 1.280 1.00 0.00 C ATOM 1165 O PRO A 78 -4.084 -2.709 0.761 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.354 -4.769 0.859 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.665 -3.848 -0.087 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.408 -3.960 -1.390 1.00 0.00 C ATOM 0 HA PRO A 78 -3.353 -5.669 0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.226 -4.444 1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.952 -5.780 0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.681 -2.823 0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.382 -4.126 -0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.410 -3.015 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.958 -4.705 -2.047 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.681 -3.969 2.580 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.382 -3.073 3.491 1.00 0.00 C ATOM 1178 C ALA A 79 -3.751 -1.685 3.491 1.00 0.00 C ATOM 1179 O ALA A 79 -4.379 -0.707 3.086 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.390 -3.652 4.898 1.00 0.00 C ATOM 0 H ALA A 79 -3.279 -4.793 3.026 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.411 -2.975 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.917 -2.973 5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.894 -4.618 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.365 -3.781 5.244 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.505 -1.607 3.947 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.788 -0.338 4.000 1.00 0.00 C ATOM 1188 C HIS A 80 -2.030 0.475 2.732 1.00 0.00 C ATOM 1189 O HIS A 80 -2.493 1.615 2.792 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.290 -0.582 4.185 1.00 0.00 C ATOM 1191 CG HIS A 80 0.303 -1.485 3.149 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.214 -2.860 3.209 1.00 0.00 N ATOM 1193 CD2 HIS A 80 0.995 -1.203 2.020 1.00 0.00 C ATOM 1194 CE1 HIS A 80 0.827 -3.385 2.163 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.310 -2.401 1.426 1.00 0.00 N ATOM 0 H HIS A 80 -1.971 -2.408 4.285 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.164 0.229 4.852 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.231 0.375 4.162 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.120 -1.014 5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.252 -0.220 1.655 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.918 -4.439 1.947 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.832 -2.513 0.557 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.713 -0.117 1.586 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.895 0.553 0.303 1.00 0.00 C ATOM 1205 C LEU A 81 -3.356 0.935 0.090 1.00 0.00 C ATOM 1206 O LEU A 81 -3.677 2.104 -0.120 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.421 -0.350 -0.838 1.00 0.00 C ATOM 1208 CG LEU A 81 0.081 -0.335 -1.125 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.444 -1.423 -2.124 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.512 1.030 -1.642 1.00 0.00 C ATOM 0 H LEU A 81 -1.329 -1.059 1.519 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.298 1.465 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.717 -1.374 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.947 -0.060 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 81 0.611 -0.533 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.517 -1.397 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.172 -2.397 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.096 -1.256 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.584 1.022 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.026 1.257 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.287 1.790 -0.894 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.237 -0.059 0.148 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.664 0.174 -0.036 1.00 0.00 C ATOM 1224 C GLN A 82 -6.074 1.526 0.538 1.00 0.00 C ATOM 1225 O GLN A 82 -6.887 2.239 -0.048 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.474 -0.942 0.626 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.769 -2.112 -0.299 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.583 -3.198 0.375 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.808 -3.235 0.257 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -6.905 -4.091 1.087 1.00 0.00 N ATOM 0 H GLN A 82 -3.987 -1.033 0.321 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.871 0.177 -1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.930 -1.307 1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.416 -0.530 0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.307 -1.751 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.829 -2.535 -0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.890 -4.022 1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.400 -4.846 1.563 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.505 1.871 1.689 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.810 3.138 2.342 1.00 0.00 C ATOM 1241 C ALA A 83 -5.180 4.307 1.593 1.00 0.00 C ATOM 1242 O ALA A 83 -5.851 5.290 1.276 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.333 3.116 3.786 1.00 0.00 C ATOM 0 H ALA A 83 -4.831 1.291 2.188 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.892 3.273 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.567 4.069 4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.834 2.310 4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.255 2.954 3.811 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.886 4.196 1.312 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.164 5.243 0.600 1.00 0.00 C ATOM 1251 C LYS A 84 -4.017 5.825 -0.523 1.00 0.00 C ATOM 1252 O LYS A 84 -4.035 7.037 -0.736 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.856 4.691 0.028 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.759 4.529 1.066 1.00 0.00 C ATOM 1255 CD LYS A 84 0.620 4.679 0.447 1.00 0.00 C ATOM 1256 CE LYS A 84 1.686 4.902 1.508 1.00 0.00 C ATOM 1257 NZ LYS A 84 3.058 4.674 0.974 1.00 0.00 N ATOM 0 H LYS A 84 -3.315 3.390 1.567 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.936 6.039 1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.051 3.724 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.504 5.357 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.889 5.272 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.843 3.549 1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.860 3.786 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.618 5.517 -0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.610 5.920 1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.508 4.231 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.559 3.996 1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.996 4.292 0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.578 5.574 0.957 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.722 4.953 -1.236 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.579 5.381 -2.335 1.00 0.00 C ATOM 1273 C ILE A 85 -6.820 6.100 -1.816 1.00 0.00 C ATOM 1274 O ILE A 85 -7.160 7.189 -2.281 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.017 4.189 -3.205 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -4.793 3.474 -3.781 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -6.937 4.658 -4.322 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.233 2.404 -2.870 1.00 0.00 C ATOM 0 H ILE A 85 -4.717 3.946 -1.072 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.991 6.068 -2.944 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.566 3.484 -2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.062 3.022 -4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.015 4.210 -3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.238 3.804 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.822 5.127 -3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.411 5.380 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.368 1.940 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.932 2.853 -1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.995 1.647 -2.686 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.492 5.486 -0.849 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.694 6.067 -0.263 1.00 0.00 C ATOM 1292 C LYS A 86 -8.484 7.543 0.058 1.00 0.00 C ATOM 1293 O LYS A 86 -9.331 8.382 -0.248 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.086 5.309 1.007 1.00 0.00 C ATOM 1295 CG LYS A 86 -10.042 4.156 0.756 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.565 3.572 2.058 1.00 0.00 C ATOM 1297 CE LYS A 86 -9.677 2.444 2.560 1.00 0.00 C ATOM 1298 NZ LYS A 86 -10.447 1.438 3.343 1.00 0.00 N ATOM 0 H LYS A 86 -7.224 4.585 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.500 5.983 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.184 4.925 1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.546 6.005 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.879 4.502 0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.534 3.378 0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.621 4.356 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.579 3.200 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.197 1.955 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.882 2.857 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.806 0.686 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.884 1.899 4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.189 1.025 2.743 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.348 7.854 0.675 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.025 9.229 1.034 1.00 0.00 C ATOM 1314 C ALA A 87 -7.407 10.193 -0.085 1.00 0.00 C ATOM 1315 O ALA A 87 -8.141 11.155 0.136 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.544 9.356 1.360 1.00 0.00 C ATOM 0 H ALA A 87 -6.636 7.172 0.936 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.604 9.493 1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.317 10.388 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.298 8.703 2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.954 9.068 0.490 1.00 0.00 H new ATOM 1322 N ALA A 88 -6.903 9.927 -1.285 1.00 0.00 N ATOM 1323 CA ALA A 88 -7.193 10.771 -2.439 1.00 0.00 C ATOM 1324 C ALA A 88 -8.696 10.907 -2.655 1.00 0.00 C ATOM 1325 O ALA A 88 -9.238 12.011 -2.624 1.00 0.00 O ATOM 1326 CB ALA A 88 -6.527 10.207 -3.685 1.00 0.00 C ATOM 0 H ALA A 88 -6.292 9.135 -1.484 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.790 11.764 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.752 10.846 -4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.448 10.168 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.903 9.202 -3.876 1.00 0.00 H new ATOM 1332 N GLN A 89 -9.362 9.778 -2.875 1.00 0.00 N ATOM 1333 CA GLN A 89 -10.803 9.773 -3.098 1.00 0.00 C ATOM 1334 C GLN A 89 -11.521 10.605 -2.040 1.00 0.00 C ATOM 1335 O GLN A 89 -12.423 11.383 -2.354 1.00 0.00 O ATOM 1336 CB GLN A 89 -11.338 8.340 -3.086 1.00 0.00 C ATOM 1337 CG GLN A 89 -10.776 7.472 -4.201 1.00 0.00 C ATOM 1338 CD GLN A 89 -10.681 8.208 -5.523 1.00 0.00 C ATOM 1339 OE1 GLN A 89 -11.669 8.338 -6.246 1.00 0.00 O ATOM 1340 NE2 GLN A 89 -9.489 8.696 -5.845 1.00 0.00 N ATOM 0 H GLN A 89 -8.927 8.856 -2.904 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.995 10.217 -4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.103 7.881 -2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.425 8.366 -3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.786 7.117 -3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.407 6.592 -4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.697 8.565 -5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.365 9.202 -6.722 1.00 0.00 H new ATOM 1349 N HIS A 90 -11.115 10.436 -0.786 1.00 0.00 N ATOM 1350 CA HIS A 90 -11.720 11.171 0.319 1.00 0.00 C ATOM 1351 C HIS A 90 -11.207 12.608 0.360 1.00 0.00 C ATOM 1352 O HIS A 90 -10.118 12.901 -0.133 1.00 0.00 O ATOM 1353 CB HIS A 90 -11.424 10.473 1.647 1.00 0.00 C ATOM 1354 CG HIS A 90 -12.139 9.167 1.809 1.00 0.00 C ATOM 1355 ND1 HIS A 90 -12.510 8.660 3.036 1.00 0.00 N ATOM 1356 CD2 HIS A 90 -12.552 8.264 0.889 1.00 0.00 C ATOM 1357 CE1 HIS A 90 -13.119 7.500 2.865 1.00 0.00 C ATOM 1358 NE2 HIS A 90 -13.158 7.237 1.571 1.00 0.00 N ATOM 0 H HIS A 90 -10.370 9.797 -0.510 1.00 0.00 H new ATOM 0 HA HIS A 90 -12.798 11.193 0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -10.350 10.303 1.727 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -11.704 11.135 2.466 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.428 8.337 -0.181 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -13.517 6.874 3.650 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -13.571 6.406 1.147 1.00 0.00 H new ATOM 1366 N GLN A 91 -11.998 13.497 0.951 1.00 0.00 N ATOM 1367 CA GLN A 91 -11.624 14.902 1.055 1.00 0.00 C ATOM 1368 C GLN A 91 -10.883 15.173 2.360 1.00 0.00 C ATOM 1369 O GLN A 91 -11.500 15.436 3.392 1.00 0.00 O ATOM 1370 CB GLN A 91 -12.866 15.791 0.965 1.00 0.00 C ATOM 1371 CG GLN A 91 -13.605 15.672 -0.358 1.00 0.00 C ATOM 1372 CD GLN A 91 -15.028 16.190 -0.280 1.00 0.00 C ATOM 1373 OE1 GLN A 91 -15.258 17.397 -0.207 1.00 0.00 O ATOM 1374 NE2 GLN A 91 -15.992 15.277 -0.296 1.00 0.00 N ATOM 0 H GLN A 91 -12.902 13.269 1.365 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.958 15.137 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -13.547 15.533 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.571 16.830 1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.062 16.226 -1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.619 14.628 -0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -15.756 14.287 -0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -16.969 15.566 -0.247 1.00 0.00 H new ATOM 1383 N ALA A 92 -9.557 15.107 2.307 1.00 0.00 N ATOM 1384 CA ALA A 92 -8.732 15.347 3.485 1.00 0.00 C ATOM 1385 C ALA A 92 -7.500 16.172 3.133 1.00 0.00 C ATOM 1386 O ALA A 92 -7.263 16.486 1.967 1.00 0.00 O ATOM 1387 CB ALA A 92 -8.322 14.026 4.119 1.00 0.00 C ATOM 0 H ALA A 92 -9.031 14.889 1.461 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.323 15.915 4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.706 14.220 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.213 13.472 4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.752 13.438 3.399 1.00 0.00 H new ATOM 1393 N ASN A 93 -6.718 16.522 4.149 1.00 0.00 N ATOM 1394 CA ASN A 93 -5.509 17.313 3.946 1.00 0.00 C ATOM 1395 C ASN A 93 -4.714 16.795 2.752 1.00 0.00 C ATOM 1396 O ASN A 93 -4.039 15.769 2.842 1.00 0.00 O ATOM 1397 CB ASN A 93 -4.639 17.285 5.205 1.00 0.00 C ATOM 1398 CG ASN A 93 -5.156 18.214 6.286 1.00 0.00 C ATOM 1399 OD1 ASN A 93 -6.334 18.176 6.641 1.00 0.00 O ATOM 1400 ND2 ASN A 93 -4.275 19.054 6.815 1.00 0.00 N ATOM 0 H ASN A 93 -6.899 16.271 5.121 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.807 18.341 3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.599 16.267 5.593 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.619 17.567 4.945 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.565 19.703 7.547 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.308 19.051 6.490 1.00 0.00 H new ATOM 1407 N GLN A 94 -4.797 17.511 1.636 1.00 0.00 N ATOM 1408 CA GLN A 94 -4.085 17.123 0.425 1.00 0.00 C ATOM 1409 C GLN A 94 -2.589 16.994 0.690 1.00 0.00 C ATOM 1410 O GLN A 94 -1.943 17.944 1.134 1.00 0.00 O ATOM 1411 CB GLN A 94 -4.331 18.146 -0.687 1.00 0.00 C ATOM 1412 CG GLN A 94 -5.790 18.255 -1.100 1.00 0.00 C ATOM 1413 CD GLN A 94 -6.011 19.278 -2.197 1.00 0.00 C ATOM 1414 OE1 GLN A 94 -5.085 19.986 -2.597 1.00 0.00 O ATOM 1415 NE2 GLN A 94 -7.241 19.362 -2.690 1.00 0.00 N ATOM 0 H GLN A 94 -5.350 18.363 1.545 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.464 16.152 0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.982 19.123 -0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.735 17.874 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.141 17.281 -1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.391 18.524 -0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.978 18.756 -2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.449 20.033 -3.430 1.00 0.00 H new ATOM 1424 N ALA A 95 -2.044 15.813 0.417 1.00 0.00 N ATOM 1425 CA ALA A 95 -0.624 15.561 0.625 1.00 0.00 C ATOM 1426 C ALA A 95 0.222 16.719 0.107 1.00 0.00 C ATOM 1427 O ALA A 95 -0.225 17.498 -0.734 1.00 0.00 O ATOM 1428 CB ALA A 95 -0.214 14.261 -0.052 1.00 0.00 C ATOM 0 H ALA A 95 -2.565 15.016 0.051 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.450 15.471 1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.849 14.085 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.787 13.435 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.410 14.330 -1.122 1.00 0.00 H new ATOM 1434 N ALA A 96 1.445 16.827 0.615 1.00 0.00 N ATOM 1435 CA ALA A 96 2.353 17.890 0.202 1.00 0.00 C ATOM 1436 C ALA A 96 3.522 17.331 -0.601 1.00 0.00 C ATOM 1437 O ALA A 96 4.014 17.973 -1.530 1.00 0.00 O ATOM 1438 CB ALA A 96 2.861 18.651 1.417 1.00 0.00 C ATOM 0 H ALA A 96 1.830 16.191 1.313 1.00 0.00 H new ATOM 0 HA ALA A 96 1.801 18.578 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.538 19.442 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.018 19.090 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.392 17.967 2.079 1.00 0.00 H new ATOM 1444 N VAL A 97 3.964 16.131 -0.239 1.00 0.00 N ATOM 1445 CA VAL A 97 5.076 15.486 -0.926 1.00 0.00 C ATOM 1446 C VAL A 97 4.577 14.440 -1.917 1.00 0.00 C ATOM 1447 O VAL A 97 3.684 13.653 -1.607 1.00 0.00 O ATOM 1448 CB VAL A 97 6.039 14.814 0.071 1.00 0.00 C ATOM 1449 CG1 VAL A 97 5.312 13.754 0.884 1.00 0.00 C ATOM 1450 CG2 VAL A 97 7.229 14.212 -0.661 1.00 0.00 C ATOM 0 H VAL A 97 3.568 15.586 0.527 1.00 0.00 H new ATOM 0 HA VAL A 97 5.611 16.268 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 97 6.411 15.574 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.008 13.290 1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.496 14.217 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.910 12.994 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.899 13.742 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.878 13.465 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.764 14.998 -1.194 1.00 0.00 H new ATOM 1460 N ALA A 98 5.161 14.438 -3.111 1.00 0.00 N ATOM 1461 CA ALA A 98 4.778 13.488 -4.148 1.00 0.00 C ATOM 1462 C ALA A 98 5.094 12.057 -3.725 1.00 0.00 C ATOM 1463 O ALA A 98 4.336 11.149 -4.061 1.00 0.00 O ATOM 1464 CB ALA A 98 5.480 13.821 -5.456 1.00 0.00 C ATOM 0 H ALA A 98 5.902 15.084 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 98 3.701 13.566 -4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.184 13.103 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.200 14.825 -5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.559 13.774 -5.312 1.00 0.00 H new TER 1470 ALA A 98 HETATM 1471 ZN ZN A 201 9.188 -3.363 -4.156 1.00 0.00 ZN HETATM 1472 ZN ZN A 401 -12.061 -6.291 -7.476 1.00 0.00 ZN