USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 30:sc= -0.27 USER MOD Set 1.2: A 80 MET CE :methyl -179:sc= -0.283 (180deg=-0.0108) USER MOD Set 2.1: A 40 SER OG : rot 144:sc= 1.05 USER MOD Set 2.2: A 52 ASN : amide:sc= -2.64! C(o=-1.6!,f=-12!) USER MOD Set 3.1: A 39 HIS : no HD1:sc= -4.68! C(o=-10!,f=-13!) USER MOD Set 3.2: A 56 ASN :FLIP amide:sc= -5.28! C(o=-25!,f=-10!) USER MOD Set 4.1: A 19 THR OG1 : rot -16:sc= 0.607 USER MOD Set 4.2: A 27 LYS NZ :NH3+ 169:sc= 0.0456 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -62:sc= 0.706 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -161:sc= -0.346 (180deg=-1.37) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -74:sc= 0.304 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.05 K(o=-1,f=-7!) USER MOD Single : A 31 ASN : amide:sc= -1.3 K(o=-1.3,f=-4!) USER MOD Single : A 33 HIS : no HD1:sc= -10.9! C(o=-11!,f=-11!) USER MOD Single : A 42 GLN :FLIP amide:sc= -7.26! C(o=-14!,f=-7.3!) USER MOD Single : A 46 TYR OH : rot 177:sc= -0.693 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 150:sc= -0.628 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= -0.243 (180deg=-1.04) USER MOD Single : A 62 ASN : amide:sc= -0.0651 K(o=-0.065,f=-2.3!) USER MOD Single : A 63 ASN : amide:sc= -2.91! C(o=-2.9!,f=-2.8!) USER MOD Single : A 64 MET CE :methyl -141:sc= -0.197 (180deg=-2.85!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -86:sc= -0.691 USER MOD Single : A 70 ASN : amide:sc= -0.0999 K(o=-0.1,f=-3!) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -3.14 F(o=-6.1!,f=-3.1) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.0764 (180deg=-0.512) USER MOD Single : A 74 TYR OH : rot 180:sc= -2.94! USER MOD Single : A 78 THR OG1 : rot 60:sc= -1.45 USER MOD Single : A 79 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 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -160:sc= -0.27 (180deg=-0.854) USER MOD Single : A 92 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.1) USER MOD Single : A 96 THR OG1 : rot 160:sc= -0.864 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= -0.422 (180deg=-0.531) USER MOD Single : A 102 THR OG1 : rot -129:sc= -0.772 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 14.050 -5.309 -8.016 1.00 0.00 N ATOM 2 CA THR A -5 15.062 -5.945 -7.125 1.00 0.00 C ATOM 3 C THR A -5 15.229 -5.103 -5.859 1.00 0.00 C ATOM 4 O THR A -5 15.624 -5.595 -4.822 1.00 0.00 O ATOM 5 CB THR A -5 16.403 -6.034 -7.859 1.00 0.00 C ATOM 6 OG1 THR A -5 17.020 -4.754 -7.872 1.00 0.00 O ATOM 7 CG2 THR A -5 16.172 -6.507 -9.295 1.00 0.00 C ATOM 0 H1 THR A -5 13.699 -6.011 -8.699 1.00 0.00 H new ATOM 0 H2 THR A -5 13.257 -4.956 -7.444 1.00 0.00 H new ATOM 0 H3 THR A -5 14.487 -4.516 -8.528 1.00 0.00 H new ATOM 0 HA THR A -5 14.728 -6.947 -6.853 1.00 0.00 H new ATOM 0 HB THR A -5 17.051 -6.745 -7.346 1.00 0.00 H new ATOM 0 HG1 THR A -5 17.879 -4.810 -8.340 1.00 0.00 H new ATOM 0 HG21 THR A -5 17.128 -6.570 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A -5 15.700 -7.490 -9.283 1.00 0.00 H new ATOM 0 HG23 THR A -5 15.523 -5.799 -9.811 1.00 0.00 H new ATOM 17 N GLU A -4 14.930 -3.835 -5.935 1.00 0.00 N ATOM 18 CA GLU A -4 15.071 -2.962 -4.736 1.00 0.00 C ATOM 19 C GLU A -4 14.218 -3.521 -3.596 1.00 0.00 C ATOM 20 O GLU A -4 14.574 -3.430 -2.439 1.00 0.00 O ATOM 21 CB GLU A -4 14.602 -1.546 -5.077 1.00 0.00 C ATOM 22 CG GLU A -4 14.877 -0.617 -3.893 1.00 0.00 C ATOM 23 CD GLU A -4 14.313 0.774 -4.193 1.00 0.00 C ATOM 24 OE1 GLU A -4 13.730 0.939 -5.252 1.00 0.00 O ATOM 25 OE2 GLU A -4 14.474 1.648 -3.359 1.00 0.00 O ATOM 0 H GLU A -4 14.594 -3.366 -6.776 1.00 0.00 H new ATOM 0 HA GLU A -4 16.116 -2.934 -4.428 1.00 0.00 H new ATOM 0 HB2 GLU A -4 15.120 -1.184 -5.965 1.00 0.00 H new ATOM 0 HB3 GLU A -4 13.537 -1.551 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A -4 14.421 -1.019 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A -4 15.949 -0.554 -3.708 1.00 0.00 H new ATOM 32 N PHE A -3 13.092 -4.100 -3.915 1.00 0.00 N ATOM 33 CA PHE A -3 12.216 -4.667 -2.852 1.00 0.00 C ATOM 34 C PHE A -3 12.383 -6.185 -2.799 1.00 0.00 C ATOM 35 O PHE A -3 12.339 -6.858 -3.810 1.00 0.00 O ATOM 36 CB PHE A -3 10.755 -4.324 -3.157 1.00 0.00 C ATOM 37 CG PHE A -3 9.840 -5.267 -2.408 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.063 -5.546 -1.054 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.763 -5.864 -3.074 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.211 -6.420 -0.368 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.911 -6.737 -2.389 1.00 0.00 C ATOM 42 CZ PHE A -3 8.135 -7.015 -1.035 1.00 0.00 C ATOM 0 H PHE A -3 12.741 -4.205 -4.867 1.00 0.00 H new ATOM 0 HA PHE A -3 12.497 -4.241 -1.889 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.546 -3.294 -2.868 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.571 -4.398 -4.229 1.00 0.00 H new ATOM 0 HD1 PHE A -3 10.893 -5.086 -0.538 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.590 -5.650 -4.118 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.385 -6.635 0.676 1.00 0.00 H new ATOM 0 HE2 PHE A -3 7.081 -7.196 -2.904 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.477 -7.689 -0.506 1.00 0.00 H new ATOM 52 N LYS A -2 12.569 -6.727 -1.626 1.00 0.00 N ATOM 53 CA LYS A -2 12.732 -8.200 -1.495 1.00 0.00 C ATOM 54 C LYS A -2 11.717 -8.726 -0.480 1.00 0.00 C ATOM 55 O LYS A -2 11.594 -8.210 0.613 1.00 0.00 O ATOM 56 CB LYS A -2 14.150 -8.519 -1.013 1.00 0.00 C ATOM 57 CG LYS A -2 14.366 -10.033 -1.033 1.00 0.00 C ATOM 58 CD LYS A -2 15.760 -10.357 -0.493 1.00 0.00 C ATOM 59 CE LYS A -2 16.042 -11.851 -0.672 1.00 0.00 C ATOM 60 NZ LYS A -2 17.312 -12.203 0.026 1.00 0.00 N ATOM 0 H LYS A -2 12.615 -6.208 -0.749 1.00 0.00 H new ATOM 0 HA LYS A -2 12.566 -8.675 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A -2 14.883 -8.028 -1.653 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.298 -8.133 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A -2 13.606 -10.527 -0.428 1.00 0.00 H new ATOM 0 HG3 LYS A -2 14.261 -10.413 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.511 -9.769 -1.019 1.00 0.00 H new ATOM 0 HD3 LYS A -2 15.825 -10.087 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A -2 15.218 -12.439 -0.268 1.00 0.00 H new ATOM 0 HE3 LYS A -2 16.118 -12.094 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 17.505 -13.218 -0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 18.095 -11.651 -0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 17.223 -11.986 1.039 1.00 0.00 H new ATOM 74 N ALA A -1 10.984 -9.745 -0.832 1.00 0.00 N ATOM 75 CA ALA A -1 9.974 -10.294 0.111 1.00 0.00 C ATOM 76 C ALA A -1 10.672 -10.798 1.376 1.00 0.00 C ATOM 77 O ALA A -1 11.186 -11.899 1.417 1.00 0.00 O ATOM 78 CB ALA A -1 9.227 -11.447 -0.557 1.00 0.00 C ATOM 0 H ALA A -1 11.042 -10.221 -1.732 1.00 0.00 H new ATOM 0 HA ALA A -1 9.265 -9.510 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.487 -11.850 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A -1 8.726 -11.085 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A -1 9.935 -12.231 -0.828 1.00 0.00 H new ATOM 84 N GLY A 1 10.690 -10.003 2.409 1.00 0.00 N ATOM 85 CA GLY A 1 11.349 -10.434 3.674 1.00 0.00 C ATOM 86 C GLY A 1 10.375 -11.289 4.484 1.00 0.00 C ATOM 87 O GLY A 1 10.026 -12.386 4.091 1.00 0.00 O ATOM 0 H GLY A 1 10.276 -9.071 2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.252 -11.002 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.655 -9.563 4.253 1.00 0.00 H new ATOM 91 N SER A 2 9.929 -10.796 5.610 1.00 0.00 N ATOM 92 CA SER A 2 8.971 -11.578 6.443 1.00 0.00 C ATOM 93 C SER A 2 7.683 -10.771 6.622 1.00 0.00 C ATOM 94 O SER A 2 7.707 -9.623 7.016 1.00 0.00 O ATOM 95 CB SER A 2 9.594 -11.852 7.812 1.00 0.00 C ATOM 96 OG SER A 2 8.726 -12.689 8.565 1.00 0.00 O ATOM 0 H SER A 2 10.188 -9.885 5.988 1.00 0.00 H new ATOM 0 HA SER A 2 8.745 -12.524 5.951 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.566 -12.331 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.763 -10.914 8.341 1.00 0.00 H new ATOM 0 HG SER A 2 9.124 -12.868 9.443 1.00 0.00 H new ATOM 102 N ALA A 3 6.558 -11.366 6.337 1.00 0.00 N ATOM 103 CA ALA A 3 5.268 -10.635 6.491 1.00 0.00 C ATOM 104 C ALA A 3 4.972 -10.418 7.976 1.00 0.00 C ATOM 105 O ALA A 3 4.387 -9.426 8.365 1.00 0.00 O ATOM 106 CB ALA A 3 4.140 -11.454 5.861 1.00 0.00 C ATOM 0 H ALA A 3 6.476 -12.327 6.004 1.00 0.00 H new ATOM 0 HA ALA A 3 5.340 -9.668 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.196 -10.920 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.348 -11.605 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.071 -12.421 6.359 1.00 0.00 H new ATOM 112 N LYS A 4 5.362 -11.345 8.808 1.00 0.00 N ATOM 113 CA LYS A 4 5.095 -11.200 10.265 1.00 0.00 C ATOM 114 C LYS A 4 5.759 -9.929 10.779 1.00 0.00 C ATOM 115 O LYS A 4 5.161 -9.136 11.479 1.00 0.00 O ATOM 116 CB LYS A 4 5.700 -12.396 10.996 1.00 0.00 C ATOM 117 CG LYS A 4 5.166 -13.681 10.377 1.00 0.00 C ATOM 118 CD LYS A 4 5.735 -14.888 11.128 1.00 0.00 C ATOM 119 CE LYS A 4 5.195 -14.904 12.559 1.00 0.00 C ATOM 120 NZ LYS A 4 5.189 -16.303 13.073 1.00 0.00 N ATOM 0 H LYS A 4 5.855 -12.197 8.540 1.00 0.00 H new ATOM 0 HA LYS A 4 4.020 -11.151 10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.787 -12.369 10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.448 -12.356 12.056 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.077 -13.693 10.421 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.443 -13.732 9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.461 -15.810 10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.824 -14.841 11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.812 -14.273 13.199 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.186 -14.492 12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.822 -16.314 14.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.583 -16.893 12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.158 -16.680 13.065 1.00 0.00 H new ATOM 134 N LYS A 5 6.997 -9.739 10.435 1.00 0.00 N ATOM 135 CA LYS A 5 7.721 -8.525 10.899 1.00 0.00 C ATOM 136 C LYS A 5 7.013 -7.272 10.380 1.00 0.00 C ATOM 137 O LYS A 5 6.796 -6.325 11.110 1.00 0.00 O ATOM 138 CB LYS A 5 9.153 -8.560 10.366 1.00 0.00 C ATOM 139 CG LYS A 5 9.899 -9.747 10.978 1.00 0.00 C ATOM 140 CD LYS A 5 11.362 -9.714 10.535 1.00 0.00 C ATOM 141 CE LYS A 5 12.080 -10.964 11.048 1.00 0.00 C ATOM 142 NZ LYS A 5 13.308 -10.563 11.790 1.00 0.00 N ATOM 0 H LYS A 5 7.542 -10.373 9.851 1.00 0.00 H new ATOM 0 HA LYS A 5 7.735 -8.503 11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.145 -8.643 9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.666 -7.630 10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.836 -9.708 12.065 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.434 -10.682 10.666 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.423 -9.668 9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.849 -8.818 10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.418 -11.534 11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.343 -11.614 10.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.796 -11.413 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.941 -10.036 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.045 -9.960 12.595 1.00 0.00 H new ATOM 156 N GLY A 6 6.645 -7.258 9.128 1.00 0.00 N ATOM 157 CA GLY A 6 5.946 -6.063 8.579 1.00 0.00 C ATOM 158 C GLY A 6 4.551 -5.962 9.197 1.00 0.00 C ATOM 159 O GLY A 6 4.031 -4.885 9.406 1.00 0.00 O ATOM 0 H GLY A 6 6.797 -8.018 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.518 -5.161 8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.871 -6.139 7.494 1.00 0.00 H new ATOM 163 N ALA A 7 3.939 -7.080 9.489 1.00 0.00 N ATOM 164 CA ALA A 7 2.578 -7.044 10.092 1.00 0.00 C ATOM 165 C ALA A 7 2.629 -6.240 11.388 1.00 0.00 C ATOM 166 O ALA A 7 1.756 -5.443 11.672 1.00 0.00 O ATOM 167 CB ALA A 7 2.112 -8.471 10.394 1.00 0.00 C ATOM 0 H ALA A 7 4.323 -8.012 9.336 1.00 0.00 H new ATOM 0 HA ALA A 7 1.880 -6.578 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.116 -8.443 10.835 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.083 -9.048 9.469 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.805 -8.940 11.093 1.00 0.00 H new ATOM 173 N THR A 8 3.657 -6.424 12.167 1.00 0.00 N ATOM 174 CA THR A 8 3.776 -5.654 13.431 1.00 0.00 C ATOM 175 C THR A 8 3.929 -4.181 13.078 1.00 0.00 C ATOM 176 O THR A 8 3.299 -3.314 13.650 1.00 0.00 O ATOM 177 CB THR A 8 5.021 -6.124 14.180 1.00 0.00 C ATOM 178 OG1 THR A 8 6.177 -5.769 13.436 1.00 0.00 O ATOM 179 CG2 THR A 8 4.971 -7.641 14.353 1.00 0.00 C ATOM 0 H THR A 8 4.420 -7.075 11.981 1.00 0.00 H new ATOM 0 HA THR A 8 2.895 -5.803 14.056 1.00 0.00 H new ATOM 0 HB THR A 8 5.058 -5.650 15.161 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.155 -6.217 12.565 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.860 -7.976 14.888 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.082 -7.913 14.921 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.936 -8.118 13.374 1.00 0.00 H new ATOM 187 N LEU A 9 4.763 -3.907 12.119 1.00 0.00 N ATOM 188 CA LEU A 9 4.982 -2.504 11.679 1.00 0.00 C ATOM 189 C LEU A 9 3.675 -1.932 11.127 1.00 0.00 C ATOM 190 O LEU A 9 3.282 -0.827 11.445 1.00 0.00 O ATOM 191 CB LEU A 9 6.043 -2.508 10.587 1.00 0.00 C ATOM 192 CG LEU A 9 7.418 -2.663 11.233 1.00 0.00 C ATOM 193 CD1 LEU A 9 8.370 -3.314 10.238 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.956 -1.284 11.624 1.00 0.00 C ATOM 0 H LEU A 9 5.310 -4.604 11.614 1.00 0.00 H new ATOM 0 HA LEU A 9 5.309 -1.890 12.518 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.861 -3.324 9.888 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.998 -1.582 10.014 1.00 0.00 H new ATOM 0 HG LEU A 9 7.336 -3.286 12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.353 -3.427 10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.987 -4.295 9.956 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.452 -2.687 9.350 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.937 -1.394 12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.041 -0.661 10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.273 -0.814 12.332 1.00 0.00 H new ATOM 206 N PHE A 10 2.996 -2.686 10.307 1.00 0.00 N ATOM 207 CA PHE A 10 1.707 -2.208 9.731 1.00 0.00 C ATOM 208 C PHE A 10 0.678 -2.085 10.856 1.00 0.00 C ATOM 209 O PHE A 10 -0.078 -1.136 10.926 1.00 0.00 O ATOM 210 CB PHE A 10 1.216 -3.230 8.699 1.00 0.00 C ATOM 211 CG PHE A 10 0.038 -2.674 7.931 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.261 -2.806 8.439 1.00 0.00 C ATOM 213 CD2 PHE A 10 0.246 -2.033 6.704 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.351 -2.293 7.720 1.00 0.00 C ATOM 215 CE2 PHE A 10 -0.842 -1.524 5.985 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.140 -1.653 6.492 1.00 0.00 C ATOM 0 H PHE A 10 3.281 -3.619 10.009 1.00 0.00 H new ATOM 0 HA PHE A 10 1.844 -1.239 9.251 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.023 -3.479 8.010 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.929 -4.154 9.200 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.423 -3.303 9.384 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.247 -1.931 6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.352 -2.391 8.113 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.679 -1.031 5.038 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.979 -1.259 5.937 1.00 0.00 H new ATOM 226 N LYS A 11 0.642 -3.058 11.726 1.00 0.00 N ATOM 227 CA LYS A 11 -0.337 -3.046 12.851 1.00 0.00 C ATOM 228 C LYS A 11 -0.165 -1.798 13.721 1.00 0.00 C ATOM 229 O LYS A 11 -1.125 -1.269 14.245 1.00 0.00 O ATOM 230 CB LYS A 11 -0.121 -4.290 13.714 1.00 0.00 C ATOM 231 CG LYS A 11 -1.203 -4.355 14.794 1.00 0.00 C ATOM 232 CD LYS A 11 -0.950 -5.562 15.699 1.00 0.00 C ATOM 233 CE LYS A 11 -2.110 -5.713 16.686 1.00 0.00 C ATOM 234 NZ LYS A 11 -2.915 -6.915 16.324 1.00 0.00 N ATOM 0 H LYS A 11 1.257 -3.871 11.705 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.344 -3.039 12.433 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.156 -5.186 13.094 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.866 -4.259 14.175 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.199 -3.438 15.383 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.188 -4.433 14.333 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.850 -6.466 15.098 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.013 -5.434 16.240 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.727 -5.811 17.702 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.737 -4.822 16.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.704 -7.019 16.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.291 -6.804 15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.312 -7.762 16.365 1.00 0.00 H new ATOM 248 N THR A 12 1.041 -1.341 13.908 1.00 0.00 N ATOM 249 CA THR A 12 1.251 -0.148 14.783 1.00 0.00 C ATOM 250 C THR A 12 1.565 1.105 13.959 1.00 0.00 C ATOM 251 O THR A 12 1.903 2.133 14.512 1.00 0.00 O ATOM 252 CB THR A 12 2.418 -0.426 15.733 1.00 0.00 C ATOM 253 OG1 THR A 12 3.615 -0.567 14.981 1.00 0.00 O ATOM 254 CG2 THR A 12 2.148 -1.714 16.512 1.00 0.00 C ATOM 0 H THR A 12 1.887 -1.736 13.497 1.00 0.00 H new ATOM 0 HA THR A 12 0.332 0.032 15.341 1.00 0.00 H new ATOM 0 HB THR A 12 2.523 0.403 16.432 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.615 -1.435 14.526 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.980 -1.911 17.188 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.229 -1.605 17.089 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.042 -2.545 15.815 1.00 0.00 H new ATOM 262 N ARG A 13 1.475 1.055 12.657 1.00 0.00 N ATOM 263 CA ARG A 13 1.796 2.286 11.876 1.00 0.00 C ATOM 264 C ARG A 13 1.007 2.348 10.564 1.00 0.00 C ATOM 265 O ARG A 13 1.472 2.906 9.591 1.00 0.00 O ATOM 266 CB ARG A 13 3.293 2.316 11.555 1.00 0.00 C ATOM 267 CG ARG A 13 4.101 2.405 12.851 1.00 0.00 C ATOM 268 CD ARG A 13 5.576 2.636 12.517 1.00 0.00 C ATOM 269 NE ARG A 13 6.387 2.553 13.763 1.00 0.00 N ATOM 270 CZ ARG A 13 6.481 3.589 14.550 1.00 0.00 C ATOM 271 NH1 ARG A 13 5.864 4.698 14.244 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.192 3.518 15.642 1.00 0.00 N ATOM 0 H ARG A 13 1.201 0.238 12.111 1.00 0.00 H new ATOM 0 HA ARG A 13 1.518 3.145 12.486 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.573 1.419 11.002 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.520 3.169 10.915 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.726 3.219 13.471 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.987 1.487 13.427 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.918 1.892 11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.706 3.613 12.051 1.00 0.00 H new ATOM 0 HE ARG A 13 6.869 1.686 14.001 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.309 4.754 13.390 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.937 5.509 14.859 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.675 2.652 15.881 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.265 4.329 16.257 1.00 0.00 H new ATOM 286 N CYS A 14 -0.174 1.800 10.509 1.00 0.00 N ATOM 287 CA CYS A 14 -0.937 1.870 9.229 1.00 0.00 C ATOM 288 C CYS A 14 -2.432 1.672 9.482 1.00 0.00 C ATOM 289 O CYS A 14 -3.210 1.527 8.560 1.00 0.00 O ATOM 290 CB CYS A 14 -0.424 0.788 8.279 1.00 0.00 C ATOM 291 SG CYS A 14 -0.745 1.272 6.560 1.00 0.00 S ATOM 0 H CYS A 14 -0.638 1.315 11.277 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.792 2.853 8.782 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.645 0.637 8.430 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.914 -0.161 8.496 1.00 0.00 H new ATOM 296 N LEU A 15 -2.844 1.660 10.717 1.00 0.00 N ATOM 297 CA LEU A 15 -4.291 1.468 11.013 1.00 0.00 C ATOM 298 C LEU A 15 -4.980 2.817 11.203 1.00 0.00 C ATOM 299 O LEU A 15 -6.166 2.885 11.459 1.00 0.00 O ATOM 300 CB LEU A 15 -4.439 0.628 12.277 1.00 0.00 C ATOM 301 CG LEU A 15 -4.230 -0.848 11.932 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.983 -1.012 11.066 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.058 -1.651 13.222 1.00 0.00 C ATOM 0 H LEU A 15 -2.244 1.774 11.534 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.761 0.955 10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.712 0.945 13.025 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.428 0.775 12.711 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.098 -1.212 11.382 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.843 -2.066 10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.103 -0.443 10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.112 -0.645 11.609 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.909 -2.703 12.979 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.192 -1.279 13.769 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.950 -1.544 13.839 1.00 0.00 H new ATOM 315 N GLN A 16 -4.258 3.893 11.075 1.00 0.00 N ATOM 316 CA GLN A 16 -4.892 5.227 11.244 1.00 0.00 C ATOM 317 C GLN A 16 -5.614 5.606 9.950 1.00 0.00 C ATOM 318 O GLN A 16 -6.125 6.699 9.808 1.00 0.00 O ATOM 319 CB GLN A 16 -3.818 6.271 11.562 1.00 0.00 C ATOM 320 CG GLN A 16 -2.883 6.434 10.361 1.00 0.00 C ATOM 321 CD GLN A 16 -1.764 7.415 10.714 1.00 0.00 C ATOM 322 OE1 GLN A 16 -0.790 7.044 11.340 1.00 0.00 O ATOM 323 NE2 GLN A 16 -1.862 8.662 10.339 1.00 0.00 N ATOM 0 H GLN A 16 -3.261 3.907 10.862 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.608 5.192 12.065 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.286 7.226 11.803 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.248 5.965 12.439 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.460 5.469 10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.442 6.798 9.499 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.679 8.974 9.814 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.122 9.324 10.571 1.00 0.00 H new ATOM 332 N CYS A 17 -5.654 4.710 8.999 1.00 0.00 N ATOM 333 CA CYS A 17 -6.334 5.022 7.711 1.00 0.00 C ATOM 334 C CYS A 17 -6.853 3.734 7.066 1.00 0.00 C ATOM 335 O CYS A 17 -8.013 3.393 7.179 1.00 0.00 O ATOM 336 CB CYS A 17 -5.335 5.685 6.765 1.00 0.00 C ATOM 337 SG CYS A 17 -5.060 7.400 7.274 1.00 0.00 S ATOM 0 H CYS A 17 -5.245 3.777 9.060 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.172 5.692 7.902 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.393 5.137 6.773 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.712 5.655 5.743 1.00 0.00 H new ATOM 342 N HIS A 18 -6.001 3.023 6.377 1.00 0.00 N ATOM 343 CA HIS A 18 -6.441 1.765 5.707 1.00 0.00 C ATOM 344 C HIS A 18 -7.128 0.839 6.713 1.00 0.00 C ATOM 345 O HIS A 18 -8.118 0.208 6.404 1.00 0.00 O ATOM 346 CB HIS A 18 -5.228 1.056 5.101 1.00 0.00 C ATOM 347 CG HIS A 18 -4.691 1.872 3.959 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.131 1.695 2.656 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.760 2.880 3.908 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.472 2.576 1.879 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.630 3.317 2.596 1.00 0.00 N ATOM 0 H HIS A 18 -5.017 3.260 6.249 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.150 2.015 4.918 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.457 0.920 5.859 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.511 0.063 4.751 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.828 1.019 2.342 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.215 3.271 4.754 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.609 2.669 0.812 1.00 0.00 H new ATOM 359 N THR A 19 -6.614 0.750 7.908 1.00 0.00 N ATOM 360 CA THR A 19 -7.247 -0.144 8.921 1.00 0.00 C ATOM 361 C THR A 19 -7.637 -1.464 8.257 1.00 0.00 C ATOM 362 O THR A 19 -8.786 -1.861 8.268 1.00 0.00 O ATOM 363 CB THR A 19 -8.498 0.527 9.490 1.00 0.00 C ATOM 364 OG1 THR A 19 -8.117 1.651 10.272 1.00 0.00 O ATOM 365 CG2 THR A 19 -9.261 -0.472 10.363 1.00 0.00 C ATOM 0 H THR A 19 -5.787 1.254 8.227 1.00 0.00 H new ATOM 0 HA THR A 19 -6.540 -0.334 9.729 1.00 0.00 H new ATOM 0 HB THR A 19 -9.140 0.855 8.672 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.161 1.595 10.482 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.153 0.006 10.769 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.553 -1.333 9.761 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.622 -0.802 11.182 1.00 0.00 H new ATOM 373 N VAL A 20 -6.693 -2.145 7.670 1.00 0.00 N ATOM 374 CA VAL A 20 -7.018 -3.431 6.999 1.00 0.00 C ATOM 375 C VAL A 20 -7.729 -4.364 7.982 1.00 0.00 C ATOM 376 O VAL A 20 -8.772 -4.907 7.676 1.00 0.00 O ATOM 377 CB VAL A 20 -5.725 -4.090 6.525 1.00 0.00 C ATOM 378 CG1 VAL A 20 -6.000 -5.539 6.123 1.00 0.00 C ATOM 379 CG2 VAL A 20 -5.178 -3.331 5.317 1.00 0.00 C ATOM 0 H VAL A 20 -5.713 -1.866 7.627 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.671 -3.240 6.148 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.996 -4.069 7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.074 -6.005 5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.390 -6.087 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.732 -5.560 5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.255 -3.802 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.912 -3.352 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.976 -2.297 5.598 1.00 0.00 H new ATOM 389 N GLU A 21 -7.175 -4.539 9.157 1.00 0.00 N ATOM 390 CA GLU A 21 -7.805 -5.435 10.178 1.00 0.00 C ATOM 391 C GLU A 21 -8.505 -6.612 9.492 1.00 0.00 C ATOM 392 O GLU A 21 -9.458 -7.160 10.007 1.00 0.00 O ATOM 393 CB GLU A 21 -8.822 -4.639 10.998 1.00 0.00 C ATOM 394 CG GLU A 21 -8.084 -3.671 11.926 1.00 0.00 C ATOM 395 CD GLU A 21 -7.293 -4.463 12.969 1.00 0.00 C ATOM 396 OE1 GLU A 21 -7.581 -5.637 13.135 1.00 0.00 O ATOM 397 OE2 GLU A 21 -6.412 -3.883 13.582 1.00 0.00 O ATOM 0 H GLU A 21 -6.306 -4.096 9.455 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.028 -5.823 10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.488 -4.087 10.335 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.444 -5.317 11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.411 -3.039 11.347 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.796 -3.010 12.420 1.00 0.00 H new ATOM 404 N LYS A 22 -8.039 -6.994 8.329 1.00 0.00 N ATOM 405 CA LYS A 22 -8.665 -8.129 7.581 1.00 0.00 C ATOM 406 C LYS A 22 -10.130 -7.807 7.251 1.00 0.00 C ATOM 407 O LYS A 22 -10.680 -8.311 6.293 1.00 0.00 O ATOM 408 CB LYS A 22 -8.597 -9.407 8.419 1.00 0.00 C ATOM 409 CG LYS A 22 -7.138 -9.710 8.754 1.00 0.00 C ATOM 410 CD LYS A 22 -7.051 -11.049 9.482 1.00 0.00 C ATOM 411 CE LYS A 22 -5.624 -11.262 9.982 1.00 0.00 C ATOM 412 NZ LYS A 22 -5.514 -12.607 10.616 1.00 0.00 N ATOM 0 H LYS A 22 -7.242 -6.563 7.860 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.116 -8.277 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.176 -9.287 9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.037 -10.240 7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.543 -9.741 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.725 -8.917 9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.748 -11.066 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.338 -11.859 8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.921 -11.181 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.360 -10.487 10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.542 -12.752 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.174 -12.668 11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.749 -13.340 9.917 1.00 0.00 H new ATOM 426 N GLY A 23 -10.764 -6.973 8.030 1.00 0.00 N ATOM 427 CA GLY A 23 -12.186 -6.626 7.752 1.00 0.00 C ATOM 428 C GLY A 23 -12.583 -5.401 8.579 1.00 0.00 C ATOM 429 O GLY A 23 -13.346 -5.499 9.519 1.00 0.00 O ATOM 0 H GLY A 23 -10.358 -6.517 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.320 -6.420 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.832 -7.469 7.998 1.00 0.00 H new ATOM 433 N GLY A 24 -12.067 -4.250 8.237 1.00 0.00 N ATOM 434 CA GLY A 24 -12.408 -3.014 9.004 1.00 0.00 C ATOM 435 C GLY A 24 -12.896 -1.931 8.040 1.00 0.00 C ATOM 436 O GLY A 24 -12.733 -2.036 6.840 1.00 0.00 O ATOM 0 H GLY A 24 -11.423 -4.111 7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.180 -3.233 9.742 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.534 -2.661 9.552 1.00 0.00 H new ATOM 440 N PRO A 25 -13.492 -0.896 8.569 1.00 0.00 N ATOM 441 CA PRO A 25 -14.021 0.237 7.754 1.00 0.00 C ATOM 442 C PRO A 25 -12.936 0.878 6.883 1.00 0.00 C ATOM 443 O PRO A 25 -11.807 1.045 7.299 1.00 0.00 O ATOM 444 CB PRO A 25 -14.543 1.243 8.789 1.00 0.00 C ATOM 445 CG PRO A 25 -14.002 0.802 10.111 1.00 0.00 C ATOM 446 CD PRO A 25 -13.726 -0.695 10.001 1.00 0.00 C ATOM 0 HA PRO A 25 -14.791 -0.098 7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.212 2.254 8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.633 1.259 8.800 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.090 1.346 10.355 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.717 1.005 10.908 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.860 -0.988 10.594 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.570 -1.286 10.356 1.00 0.00 H new ATOM 454 N HIS A 26 -13.273 1.231 5.673 1.00 0.00 N ATOM 455 CA HIS A 26 -12.268 1.854 4.765 1.00 0.00 C ATOM 456 C HIS A 26 -11.694 3.127 5.389 1.00 0.00 C ATOM 457 O HIS A 26 -10.527 3.414 5.255 1.00 0.00 O ATOM 458 CB HIS A 26 -12.932 2.216 3.436 1.00 0.00 C ATOM 459 CG HIS A 26 -13.306 0.964 2.693 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.386 0.248 1.939 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.496 0.290 2.570 1.00 0.00 C ATOM 462 CE1 HIS A 26 -13.031 -0.802 1.401 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.317 -0.822 1.755 1.00 0.00 N ATOM 0 H HIS A 26 -14.204 1.115 5.273 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.462 1.138 4.602 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.820 2.821 3.616 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.253 2.818 2.832 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.427 0.579 3.035 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.566 -1.538 0.762 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -15.021 -1.509 1.485 1.00 0.00 H new ATOM 472 N LYS A 27 -12.507 3.907 6.044 1.00 0.00 N ATOM 473 CA LYS A 27 -12.002 5.177 6.642 1.00 0.00 C ATOM 474 C LYS A 27 -11.441 6.064 5.520 1.00 0.00 C ATOM 475 O LYS A 27 -11.939 6.060 4.412 1.00 0.00 O ATOM 476 CB LYS A 27 -10.909 4.890 7.681 1.00 0.00 C ATOM 477 CG LYS A 27 -11.485 4.032 8.809 1.00 0.00 C ATOM 478 CD LYS A 27 -10.430 3.860 9.904 1.00 0.00 C ATOM 479 CE LYS A 27 -10.953 2.898 10.974 1.00 0.00 C ATOM 480 NZ LYS A 27 -10.128 3.033 12.208 1.00 0.00 N ATOM 0 H LYS A 27 -13.499 3.722 6.192 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.822 5.689 7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.072 4.375 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.522 5.826 8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.378 4.503 9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.787 3.058 8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.505 3.475 9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.195 4.826 10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.997 3.117 11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.913 1.872 10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.588 2.525 12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.184 2.629 12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.035 4.039 12.455 1.00 0.00 H new ATOM 494 N VAL A 28 -10.428 6.838 5.798 1.00 0.00 N ATOM 495 CA VAL A 28 -9.862 7.739 4.746 1.00 0.00 C ATOM 496 C VAL A 28 -9.253 6.941 3.586 1.00 0.00 C ATOM 497 O VAL A 28 -9.432 7.284 2.435 1.00 0.00 O ATOM 498 CB VAL A 28 -8.772 8.617 5.361 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.056 9.387 4.252 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.403 9.608 6.339 1.00 0.00 C ATOM 0 H VAL A 28 -9.966 6.888 6.706 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.677 8.349 4.357 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.057 7.988 5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.278 10.014 4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.605 8.683 3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.773 10.014 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.625 10.233 6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.118 10.237 5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.917 9.062 7.130 1.00 0.00 H new ATOM 510 N GLY A 29 -8.513 5.900 3.869 1.00 0.00 N ATOM 511 CA GLY A 29 -7.876 5.120 2.762 1.00 0.00 C ATOM 512 C GLY A 29 -8.618 3.801 2.534 1.00 0.00 C ATOM 513 O GLY A 29 -9.321 3.318 3.391 1.00 0.00 O ATOM 0 H GLY A 29 -8.322 5.557 4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.881 5.709 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.833 4.919 3.005 1.00 0.00 H new ATOM 517 N PRO A 30 -8.454 3.222 1.375 1.00 0.00 N ATOM 518 CA PRO A 30 -9.113 1.934 1.014 1.00 0.00 C ATOM 519 C PRO A 30 -8.726 0.797 1.964 1.00 0.00 C ATOM 520 O PRO A 30 -7.679 0.817 2.578 1.00 0.00 O ATOM 521 CB PRO A 30 -8.617 1.632 -0.405 1.00 0.00 C ATOM 522 CG PRO A 30 -7.436 2.521 -0.628 1.00 0.00 C ATOM 523 CD PRO A 30 -7.618 3.733 0.282 1.00 0.00 C ATOM 0 HA PRO A 30 -10.198 2.015 1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.340 0.583 -0.506 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.397 1.828 -1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.509 1.998 -0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.375 2.827 -1.672 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.662 4.106 0.649 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.102 4.558 -0.241 1.00 0.00 H new ATOM 531 N ASN A 31 -9.563 -0.196 2.084 1.00 0.00 N ATOM 532 CA ASN A 31 -9.244 -1.336 2.986 1.00 0.00 C ATOM 533 C ASN A 31 -7.842 -1.854 2.660 1.00 0.00 C ATOM 534 O ASN A 31 -7.172 -2.424 3.497 1.00 0.00 O ATOM 535 CB ASN A 31 -10.265 -2.456 2.777 1.00 0.00 C ATOM 536 CG ASN A 31 -10.177 -3.453 3.934 1.00 0.00 C ATOM 537 OD1 ASN A 31 -9.621 -3.150 4.970 1.00 0.00 O ATOM 538 ND2 ASN A 31 -10.707 -4.639 3.800 1.00 0.00 N ATOM 0 H ASN A 31 -10.455 -0.267 1.595 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.282 -1.005 4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.270 -2.039 2.719 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.075 -2.963 1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.654 -5.311 4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.174 -4.893 2.930 1.00 0.00 H new ATOM 545 N LEU A 32 -7.406 -1.663 1.444 1.00 0.00 N ATOM 546 CA LEU A 32 -6.052 -2.139 1.035 1.00 0.00 C ATOM 547 C LEU A 32 -6.049 -3.665 0.998 1.00 0.00 C ATOM 548 O LEU A 32 -5.016 -4.300 1.055 1.00 0.00 O ATOM 549 CB LEU A 32 -4.995 -1.635 2.031 1.00 0.00 C ATOM 550 CG LEU A 32 -3.600 -1.683 1.397 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.556 -0.758 0.188 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.563 -1.201 2.406 1.00 0.00 C ATOM 0 H LEU A 32 -7.935 -1.193 0.709 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.812 -1.750 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.229 -0.615 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.013 -2.248 2.932 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.384 -2.708 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.564 -0.793 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.297 -1.080 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.776 0.262 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.572 -1.236 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.791 -0.177 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.584 -1.845 3.285 1.00 0.00 H new ATOM 564 N HIS A 33 -7.207 -4.252 0.894 1.00 0.00 N ATOM 565 CA HIS A 33 -7.297 -5.735 0.844 1.00 0.00 C ATOM 566 C HIS A 33 -7.638 -6.174 -0.582 1.00 0.00 C ATOM 567 O HIS A 33 -7.820 -7.345 -0.852 1.00 0.00 O ATOM 568 CB HIS A 33 -8.392 -6.207 1.802 1.00 0.00 C ATOM 569 CG HIS A 33 -7.819 -7.208 2.766 1.00 0.00 C ATOM 570 ND1 HIS A 33 -6.948 -6.846 3.784 1.00 0.00 N ATOM 571 CD2 HIS A 33 -7.986 -8.565 2.878 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.625 -7.965 4.459 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.232 -9.037 3.947 1.00 0.00 N ATOM 0 H HIS A 33 -8.101 -3.764 0.841 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.343 -6.172 1.139 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.805 -5.357 2.346 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.212 -6.655 1.241 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.607 -9.172 2.236 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.958 -7.992 5.308 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.158 -10.001 4.272 1.00 0.00 H new ATOM 582 N GLY A 34 -7.738 -5.245 -1.497 1.00 0.00 N ATOM 583 CA GLY A 34 -8.080 -5.625 -2.898 1.00 0.00 C ATOM 584 C GLY A 34 -7.305 -4.764 -3.906 1.00 0.00 C ATOM 585 O GLY A 34 -7.571 -4.807 -5.091 1.00 0.00 O ATOM 0 H GLY A 34 -7.599 -4.247 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.849 -6.678 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.151 -5.505 -3.060 1.00 0.00 H new ATOM 589 N ILE A 35 -6.349 -3.987 -3.465 1.00 0.00 N ATOM 590 CA ILE A 35 -5.582 -3.151 -4.441 1.00 0.00 C ATOM 591 C ILE A 35 -4.917 -4.059 -5.476 1.00 0.00 C ATOM 592 O ILE A 35 -4.687 -3.664 -6.602 1.00 0.00 O ATOM 593 CB ILE A 35 -4.515 -2.307 -3.710 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.156 -0.976 -3.249 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.325 -2.045 -4.652 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.086 0.036 -2.825 1.00 0.00 C ATOM 0 H ILE A 35 -6.068 -3.894 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.270 -2.471 -4.944 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.146 -2.844 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.755 -0.558 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.833 -1.165 -2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.574 -1.449 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.887 -2.995 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.671 -1.505 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.566 0.961 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.504 -0.374 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.426 0.242 -3.667 1.00 0.00 H new ATOM 608 N PHE A 36 -4.602 -5.268 -5.109 1.00 0.00 N ATOM 609 CA PHE A 36 -3.949 -6.188 -6.082 1.00 0.00 C ATOM 610 C PHE A 36 -5.010 -7.091 -6.714 1.00 0.00 C ATOM 611 O PHE A 36 -5.791 -7.721 -6.029 1.00 0.00 O ATOM 612 CB PHE A 36 -2.919 -7.046 -5.346 1.00 0.00 C ATOM 613 CG PHE A 36 -1.874 -6.152 -4.727 1.00 0.00 C ATOM 614 CD1 PHE A 36 -2.108 -5.564 -3.478 1.00 0.00 C ATOM 615 CD2 PHE A 36 -0.674 -5.906 -5.403 1.00 0.00 C ATOM 616 CE1 PHE A 36 -1.141 -4.732 -2.903 1.00 0.00 C ATOM 617 CE2 PHE A 36 0.294 -5.073 -4.828 1.00 0.00 C ATOM 618 CZ PHE A 36 0.061 -4.486 -3.579 1.00 0.00 C ATOM 0 H PHE A 36 -4.767 -5.659 -4.181 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.453 -5.611 -6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.409 -7.640 -4.574 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.451 -7.746 -6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.036 -5.753 -2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.494 -6.358 -6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.321 -4.280 -1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.221 -4.883 -5.349 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.808 -3.843 -3.136 1.00 0.00 H new ATOM 628 N GLY A 37 -5.046 -7.158 -8.018 1.00 0.00 N ATOM 629 CA GLY A 37 -6.060 -8.019 -8.690 1.00 0.00 C ATOM 630 C GLY A 37 -6.256 -7.557 -10.136 1.00 0.00 C ATOM 631 O GLY A 37 -5.568 -7.997 -11.035 1.00 0.00 O ATOM 0 H GLY A 37 -4.418 -6.655 -8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.736 -9.060 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.006 -7.970 -8.151 1.00 0.00 H new ATOM 635 N ARG A 38 -7.199 -6.679 -10.366 1.00 0.00 N ATOM 636 CA ARG A 38 -7.455 -6.190 -11.752 1.00 0.00 C ATOM 637 C ARG A 38 -7.212 -4.681 -11.824 1.00 0.00 C ATOM 638 O ARG A 38 -7.819 -3.911 -11.110 1.00 0.00 O ATOM 639 CB ARG A 38 -8.913 -6.499 -12.118 1.00 0.00 C ATOM 640 CG ARG A 38 -9.271 -5.909 -13.488 1.00 0.00 C ATOM 641 CD ARG A 38 -8.466 -6.611 -14.586 1.00 0.00 C ATOM 642 NE ARG A 38 -9.035 -6.263 -15.917 1.00 0.00 N ATOM 643 CZ ARG A 38 -10.038 -6.946 -16.397 1.00 0.00 C ATOM 644 NH1 ARG A 38 -10.546 -7.932 -15.709 1.00 0.00 N ATOM 645 NH2 ARG A 38 -10.535 -6.643 -17.566 1.00 0.00 N ATOM 0 H ARG A 38 -7.805 -6.279 -9.649 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.782 -6.686 -12.451 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.068 -7.578 -12.131 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.578 -6.090 -11.357 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.338 -6.026 -13.676 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.061 -4.839 -13.499 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.420 -6.308 -14.535 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.493 -7.691 -14.438 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.641 -5.491 -16.454 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.159 -8.169 -14.796 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.330 -8.465 -16.085 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.139 -5.872 -18.104 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.319 -7.177 -17.941 1.00 0.00 H new ATOM 659 N HIS A 39 -6.337 -4.256 -12.699 1.00 0.00 N ATOM 660 CA HIS A 39 -6.056 -2.797 -12.833 1.00 0.00 C ATOM 661 C HIS A 39 -5.987 -2.158 -11.448 1.00 0.00 C ATOM 662 O HIS A 39 -5.923 -2.839 -10.445 1.00 0.00 O ATOM 663 CB HIS A 39 -7.175 -2.136 -13.642 1.00 0.00 C ATOM 664 CG HIS A 39 -7.345 -2.861 -14.948 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.408 -2.606 -15.804 1.00 0.00 N ATOM 666 CD2 HIS A 39 -6.596 -3.836 -15.560 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.270 -3.413 -16.873 1.00 0.00 C ATOM 668 NE2 HIS A 39 -7.184 -4.179 -16.771 1.00 0.00 N ATOM 0 H HIS A 39 -5.805 -4.858 -13.327 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.103 -2.658 -13.344 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.107 -2.157 -13.078 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.936 -1.088 -13.824 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.690 -4.269 -15.162 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.954 -3.437 -17.709 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.854 -4.872 -17.442 1.00 0.00 H new ATOM 677 N SER A 40 -5.993 -0.854 -11.385 1.00 0.00 N ATOM 678 CA SER A 40 -5.923 -0.178 -10.067 1.00 0.00 C ATOM 679 C SER A 40 -7.293 0.390 -9.696 1.00 0.00 C ATOM 680 O SER A 40 -8.114 0.673 -10.547 1.00 0.00 O ATOM 681 CB SER A 40 -4.903 0.953 -10.130 1.00 0.00 C ATOM 682 OG SER A 40 -5.241 1.835 -11.193 1.00 0.00 O ATOM 0 H SER A 40 -6.043 -0.231 -12.191 1.00 0.00 H new ATOM 0 HA SER A 40 -5.621 -0.902 -9.310 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.886 1.495 -9.185 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.903 0.548 -10.283 1.00 0.00 H new ATOM 0 HG SER A 40 -5.038 2.757 -10.930 1.00 0.00 H new ATOM 688 N GLY A 41 -7.544 0.553 -8.425 1.00 0.00 N ATOM 689 CA GLY A 41 -8.859 1.099 -7.985 1.00 0.00 C ATOM 690 C GLY A 41 -9.951 0.049 -8.201 1.00 0.00 C ATOM 691 O GLY A 41 -10.621 0.037 -9.214 1.00 0.00 O ATOM 0 H GLY A 41 -6.893 0.331 -7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.814 1.379 -6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.094 2.003 -8.546 1.00 0.00 H new ATOM 695 N GLN A 42 -10.134 -0.834 -7.255 1.00 0.00 N ATOM 696 CA GLN A 42 -11.182 -1.888 -7.407 1.00 0.00 C ATOM 697 C GLN A 42 -11.983 -2.012 -6.108 1.00 0.00 C ATOM 698 O GLN A 42 -12.669 -2.989 -5.885 1.00 0.00 O ATOM 699 CB GLN A 42 -10.518 -3.235 -7.717 1.00 0.00 C ATOM 700 CG GLN A 42 -9.692 -3.124 -9.002 1.00 0.00 C ATOM 701 CD GLN A 42 -8.212 -3.307 -8.667 1.00 0.00 C ATOM 702 OE1 GLN A 42 -7.420 -2.272 -8.696 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -7.775 -4.400 -8.369 1.00 0.00 N flip ATOM 0 H GLN A 42 -9.604 -0.872 -6.384 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.849 -1.611 -8.223 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.878 -3.534 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.278 -4.008 -7.828 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.011 -3.880 -9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.854 -2.153 -9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.396 -5.209 -8.347 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.787 -4.509 -8.141 1.00 0.00 H new ATOM 712 N ALA A 43 -11.896 -1.037 -5.244 1.00 0.00 N ATOM 713 CA ALA A 43 -12.647 -1.118 -3.958 1.00 0.00 C ATOM 714 C ALA A 43 -14.139 -0.884 -4.208 1.00 0.00 C ATOM 715 O ALA A 43 -14.543 0.152 -4.697 1.00 0.00 O ATOM 716 CB ALA A 43 -12.120 -0.052 -2.996 1.00 0.00 C ATOM 0 H ALA A 43 -11.340 -0.191 -5.372 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.508 -2.108 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.667 -0.109 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.060 -0.222 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.257 0.936 -3.437 1.00 0.00 H new ATOM 722 N GLU A 44 -14.961 -1.842 -3.869 1.00 0.00 N ATOM 723 CA GLU A 44 -16.429 -1.680 -4.078 1.00 0.00 C ATOM 724 C GLU A 44 -16.967 -0.599 -3.137 1.00 0.00 C ATOM 725 O GLU A 44 -17.856 0.153 -3.483 1.00 0.00 O ATOM 726 CB GLU A 44 -17.133 -3.007 -3.784 1.00 0.00 C ATOM 727 CG GLU A 44 -16.696 -4.058 -4.807 1.00 0.00 C ATOM 728 CD GLU A 44 -17.129 -3.623 -6.209 1.00 0.00 C ATOM 729 OE1 GLU A 44 -17.999 -2.774 -6.302 1.00 0.00 O ATOM 730 OE2 GLU A 44 -16.585 -4.150 -7.165 1.00 0.00 O ATOM 0 H GLU A 44 -14.678 -2.731 -3.456 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.617 -1.386 -5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.891 -3.343 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -18.214 -2.873 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.614 -4.185 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.138 -5.024 -4.562 1.00 0.00 H new ATOM 737 N GLY A 45 -16.435 -0.514 -1.946 1.00 0.00 N ATOM 738 CA GLY A 45 -16.917 0.518 -0.983 1.00 0.00 C ATOM 739 C GLY A 45 -16.087 1.790 -1.150 1.00 0.00 C ATOM 740 O GLY A 45 -16.556 2.786 -1.666 1.00 0.00 O ATOM 0 H GLY A 45 -15.687 -1.115 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.971 0.732 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.833 0.147 0.038 1.00 0.00 H new ATOM 744 N TYR A 46 -14.853 1.763 -0.731 1.00 0.00 N ATOM 745 CA TYR A 46 -13.990 2.966 -0.879 1.00 0.00 C ATOM 746 C TYR A 46 -13.999 3.412 -2.342 1.00 0.00 C ATOM 747 O TYR A 46 -14.074 2.603 -3.245 1.00 0.00 O ATOM 748 CB TYR A 46 -12.563 2.620 -0.450 1.00 0.00 C ATOM 749 CG TYR A 46 -11.628 3.731 -0.849 1.00 0.00 C ATOM 750 CD1 TYR A 46 -11.449 4.842 -0.015 1.00 0.00 C ATOM 751 CD2 TYR A 46 -10.936 3.642 -2.058 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.573 5.865 -0.398 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.063 4.661 -2.442 1.00 0.00 C ATOM 754 CZ TYR A 46 -9.879 5.776 -1.612 1.00 0.00 C ATOM 755 OH TYR A 46 -9.016 6.783 -1.990 1.00 0.00 O ATOM 0 H TYR A 46 -14.405 0.959 -0.292 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.367 3.774 -0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.524 2.469 0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.250 1.685 -0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -11.985 4.909 0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.076 2.783 -2.697 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.432 6.723 0.243 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.529 4.591 -3.378 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.581 6.541 -2.834 1.00 0.00 H new ATOM 765 N SER A 47 -13.936 4.695 -2.580 1.00 0.00 N ATOM 766 CA SER A 47 -13.956 5.201 -3.984 1.00 0.00 C ATOM 767 C SER A 47 -12.633 5.895 -4.308 1.00 0.00 C ATOM 768 O SER A 47 -11.978 6.444 -3.445 1.00 0.00 O ATOM 769 CB SER A 47 -15.104 6.197 -4.146 1.00 0.00 C ATOM 770 OG SER A 47 -16.331 5.557 -3.824 1.00 0.00 O ATOM 0 H SER A 47 -13.871 5.416 -1.861 1.00 0.00 H new ATOM 0 HA SER A 47 -14.096 4.362 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.948 7.058 -3.496 1.00 0.00 H new ATOM 0 HB3 SER A 47 -15.134 6.572 -5.169 1.00 0.00 H new ATOM 0 HG SER A 47 -17.069 6.194 -3.925 1.00 0.00 H new ATOM 776 N TYR A 48 -12.237 5.869 -5.550 1.00 0.00 N ATOM 777 CA TYR A 48 -10.958 6.521 -5.948 1.00 0.00 C ATOM 778 C TYR A 48 -11.255 7.829 -6.687 1.00 0.00 C ATOM 779 O TYR A 48 -12.332 8.028 -7.213 1.00 0.00 O ATOM 780 CB TYR A 48 -10.171 5.579 -6.861 1.00 0.00 C ATOM 781 CG TYR A 48 -9.710 4.384 -6.062 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.610 3.356 -5.759 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.386 4.313 -5.612 1.00 0.00 C ATOM 784 CE1 TYR A 48 -10.185 2.253 -5.008 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.961 3.211 -4.858 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.861 2.182 -4.556 1.00 0.00 C ATOM 787 OH TYR A 48 -8.442 1.097 -3.813 1.00 0.00 O ATOM 0 H TYR A 48 -12.748 5.421 -6.311 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.368 6.739 -5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.795 5.256 -7.694 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.313 6.099 -7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.632 3.413 -6.104 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.693 5.107 -5.846 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.878 1.457 -4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.940 3.155 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.496 1.205 -3.581 1.00 0.00 H new ATOM 797 N THR A 49 -10.307 8.724 -6.721 1.00 0.00 N ATOM 798 CA THR A 49 -10.525 10.028 -7.414 1.00 0.00 C ATOM 799 C THR A 49 -10.800 9.785 -8.899 1.00 0.00 C ATOM 800 O THR A 49 -10.887 10.712 -9.679 1.00 0.00 O ATOM 801 CB THR A 49 -9.277 10.906 -7.275 1.00 0.00 C ATOM 802 OG1 THR A 49 -8.610 10.969 -8.528 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.335 10.310 -6.227 1.00 0.00 C ATOM 0 H THR A 49 -9.386 8.609 -6.297 1.00 0.00 H new ATOM 0 HA THR A 49 -11.379 10.530 -6.959 1.00 0.00 H new ATOM 0 HB THR A 49 -9.572 11.907 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.147 11.829 -8.609 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.450 10.939 -6.133 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.846 10.258 -5.266 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.037 9.308 -6.534 1.00 0.00 H new ATOM 811 N ASP A 50 -10.926 8.548 -9.294 1.00 0.00 N ATOM 812 CA ASP A 50 -11.187 8.238 -10.729 1.00 0.00 C ATOM 813 C ASP A 50 -9.871 8.308 -11.504 1.00 0.00 C ATOM 814 O ASP A 50 -9.686 7.626 -12.491 1.00 0.00 O ATOM 815 CB ASP A 50 -12.180 9.250 -11.310 1.00 0.00 C ATOM 816 CG ASP A 50 -13.019 8.579 -12.399 1.00 0.00 C ATOM 817 OD1 ASP A 50 -12.644 7.501 -12.831 1.00 0.00 O ATOM 818 OD2 ASP A 50 -14.023 9.154 -12.783 1.00 0.00 O ATOM 0 H ASP A 50 -10.859 7.735 -8.682 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.611 7.237 -10.812 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.828 9.632 -10.521 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.644 10.104 -11.724 1.00 0.00 H new ATOM 823 N ALA A 51 -8.948 9.119 -11.059 1.00 0.00 N ATOM 824 CA ALA A 51 -7.644 9.215 -11.772 1.00 0.00 C ATOM 825 C ALA A 51 -6.980 7.840 -11.759 1.00 0.00 C ATOM 826 O ALA A 51 -6.470 7.372 -12.758 1.00 0.00 O ATOM 827 CB ALA A 51 -6.747 10.230 -11.062 1.00 0.00 C ATOM 0 H ALA A 51 -9.041 9.716 -10.237 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.802 9.541 -12.800 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.793 10.300 -11.584 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.232 11.206 -11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.576 9.908 -10.035 1.00 0.00 H new ATOM 833 N ASN A 52 -7.006 7.178 -10.636 1.00 0.00 N ATOM 834 CA ASN A 52 -6.403 5.818 -10.552 1.00 0.00 C ATOM 835 C ASN A 52 -7.069 4.918 -11.600 1.00 0.00 C ATOM 836 O ASN A 52 -6.436 4.079 -12.208 1.00 0.00 O ATOM 837 CB ASN A 52 -6.646 5.255 -9.150 1.00 0.00 C ATOM 838 CG ASN A 52 -5.838 3.973 -8.959 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.884 3.730 -9.670 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.184 3.138 -8.017 1.00 0.00 N ATOM 0 H ASN A 52 -7.420 7.521 -9.770 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.331 5.863 -10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.360 5.991 -8.398 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.707 5.051 -9.009 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.653 2.279 -7.877 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.986 3.345 -7.421 1.00 0.00 H new ATOM 847 N ILE A 53 -8.349 5.092 -11.808 1.00 0.00 N ATOM 848 CA ILE A 53 -9.078 4.255 -12.808 1.00 0.00 C ATOM 849 C ILE A 53 -8.663 4.635 -14.235 1.00 0.00 C ATOM 850 O ILE A 53 -8.468 3.782 -15.079 1.00 0.00 O ATOM 851 CB ILE A 53 -10.586 4.485 -12.661 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.999 4.314 -11.197 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.342 3.471 -13.521 1.00 0.00 C ATOM 854 CD1 ILE A 53 -10.381 3.037 -10.631 1.00 0.00 C ATOM 0 H ILE A 53 -8.924 5.782 -11.325 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.832 3.209 -12.628 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.827 5.497 -12.987 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.673 5.176 -10.615 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.085 4.269 -11.119 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.415 3.634 -13.417 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.056 3.595 -14.565 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.095 2.461 -13.194 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.678 2.920 -9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.729 2.179 -11.206 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -9.295 3.100 -10.694 1.00 0.00 H new ATOM 866 N LYS A 54 -8.549 5.904 -14.520 1.00 0.00 N ATOM 867 CA LYS A 54 -8.174 6.326 -15.899 1.00 0.00 C ATOM 868 C LYS A 54 -6.837 5.702 -16.299 1.00 0.00 C ATOM 869 O LYS A 54 -6.659 5.260 -17.416 1.00 0.00 O ATOM 870 CB LYS A 54 -8.058 7.850 -15.943 1.00 0.00 C ATOM 871 CG LYS A 54 -9.434 8.474 -15.697 1.00 0.00 C ATOM 872 CD LYS A 54 -9.341 9.994 -15.854 1.00 0.00 C ATOM 873 CE LYS A 54 -10.684 10.629 -15.491 1.00 0.00 C ATOM 874 NZ LYS A 54 -11.604 10.547 -16.660 1.00 0.00 N ATOM 0 H LYS A 54 -8.699 6.665 -13.858 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.942 5.991 -16.596 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.351 8.193 -15.188 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.670 8.168 -16.911 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.160 8.069 -16.402 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.786 8.222 -14.697 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.555 10.389 -15.211 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.072 10.248 -16.879 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.121 10.116 -14.634 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.540 11.670 -15.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.518 10.979 -16.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.187 11.055 -17.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.750 9.550 -16.917 1.00 0.00 H new ATOM 888 N LYS A 55 -5.897 5.661 -15.401 1.00 0.00 N ATOM 889 CA LYS A 55 -4.576 5.064 -15.738 1.00 0.00 C ATOM 890 C LYS A 55 -4.758 3.586 -16.089 1.00 0.00 C ATOM 891 O LYS A 55 -4.038 3.039 -16.900 1.00 0.00 O ATOM 892 CB LYS A 55 -3.633 5.194 -14.538 1.00 0.00 C ATOM 893 CG LYS A 55 -3.525 6.663 -14.111 1.00 0.00 C ATOM 894 CD LYS A 55 -2.872 7.488 -15.223 1.00 0.00 C ATOM 895 CE LYS A 55 -2.412 8.833 -14.655 1.00 0.00 C ATOM 896 NZ LYS A 55 -3.332 9.252 -13.561 1.00 0.00 N ATOM 0 H LYS A 55 -5.985 6.014 -14.448 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.148 5.589 -16.592 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.003 4.592 -13.708 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.647 4.809 -14.797 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.516 7.059 -13.888 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.937 6.742 -13.196 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.023 6.948 -15.641 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.580 7.647 -16.036 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.393 8.750 -14.276 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.399 9.587 -15.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.231 10.274 -13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.313 9.041 -13.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.095 8.735 -12.691 1.00 0.00 H new ATOM 910 N ASN A 56 -5.707 2.931 -15.477 1.00 0.00 N ATOM 911 CA ASN A 56 -5.921 1.486 -15.770 1.00 0.00 C ATOM 912 C ASN A 56 -4.612 0.736 -15.549 1.00 0.00 C ATOM 913 O ASN A 56 -4.177 -0.032 -16.383 1.00 0.00 O ATOM 914 CB ASN A 56 -6.370 1.297 -17.218 1.00 0.00 C ATOM 915 CG ASN A 56 -6.692 -0.182 -17.461 1.00 0.00 C ATOM 916 OD1 ASN A 56 -6.343 -1.077 -16.568 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -7.266 -0.531 -18.473 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.342 3.334 -14.788 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.695 1.099 -15.107 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.248 1.910 -17.421 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.586 1.627 -17.900 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.539 0.162 -19.170 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.475 -1.517 -18.626 1.00 0.00 H new ATOM 924 N VAL A 57 -3.986 0.950 -14.428 1.00 0.00 N ATOM 925 CA VAL A 57 -2.708 0.251 -14.145 1.00 0.00 C ATOM 926 C VAL A 57 -2.955 -0.812 -13.083 1.00 0.00 C ATOM 927 O VAL A 57 -3.775 -0.648 -12.205 1.00 0.00 O ATOM 928 CB VAL A 57 -1.672 1.249 -13.628 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.082 1.739 -12.240 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.314 0.555 -13.535 1.00 0.00 C ATOM 0 H VAL A 57 -4.307 1.581 -13.694 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.334 -0.210 -15.059 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.610 2.098 -14.309 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.343 2.451 -11.872 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.056 2.225 -12.299 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.140 0.891 -11.557 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.431 1.261 -13.167 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.383 -0.290 -12.850 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.019 0.198 -14.522 1.00 0.00 H new ATOM 940 N LEU A 58 -2.260 -1.906 -13.159 1.00 0.00 N ATOM 941 CA LEU A 58 -2.465 -2.977 -12.153 1.00 0.00 C ATOM 942 C LEU A 58 -1.467 -2.774 -11.013 1.00 0.00 C ATOM 943 O LEU A 58 -0.282 -2.642 -11.238 1.00 0.00 O ATOM 944 CB LEU A 58 -2.214 -4.331 -12.816 1.00 0.00 C ATOM 945 CG LEU A 58 -3.025 -5.422 -12.119 1.00 0.00 C ATOM 946 CD1 LEU A 58 -2.580 -6.781 -12.648 1.00 0.00 C ATOM 947 CD2 LEU A 58 -2.791 -5.367 -10.607 1.00 0.00 C ATOM 0 H LEU A 58 -1.559 -2.105 -13.873 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.482 -2.944 -11.763 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.487 -4.283 -13.870 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.152 -4.574 -12.772 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.085 -5.268 -12.319 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.153 -7.568 -12.157 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.750 -6.826 -13.724 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.519 -6.922 -12.442 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.374 -6.149 -10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.732 -5.519 -10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.100 -4.394 -10.226 1.00 0.00 H new ATOM 959 N TRP A 59 -1.927 -2.747 -9.793 1.00 0.00 N ATOM 960 CA TRP A 59 -0.983 -2.552 -8.658 1.00 0.00 C ATOM 961 C TRP A 59 -0.225 -3.854 -8.395 1.00 0.00 C ATOM 962 O TRP A 59 -0.810 -4.902 -8.208 1.00 0.00 O ATOM 963 CB TRP A 59 -1.762 -2.142 -7.405 1.00 0.00 C ATOM 964 CG TRP A 59 -2.070 -0.681 -7.466 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.305 -0.158 -7.596 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.154 0.447 -7.397 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.210 1.224 -7.624 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.904 1.643 -7.501 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.240 0.548 -7.259 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.294 2.892 -7.468 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.860 1.807 -7.224 1.00 0.00 C ATOM 972 CH2 TRP A 59 0.094 2.978 -7.328 1.00 0.00 C ATOM 0 H TRP A 59 -2.908 -2.851 -9.534 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.271 -1.766 -8.909 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.686 -2.717 -7.334 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.178 -2.365 -6.512 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.222 -0.725 -7.667 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.007 1.852 -7.723 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.838 -0.348 -7.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.889 3.790 -7.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.932 1.875 -7.116 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.576 3.944 -7.300 1.00 0.00 H new ATOM 983 N ASP A 60 1.078 -3.788 -8.380 1.00 0.00 N ATOM 984 CA ASP A 60 1.896 -5.007 -8.133 1.00 0.00 C ATOM 985 C ASP A 60 3.072 -4.640 -7.230 1.00 0.00 C ATOM 986 O ASP A 60 3.300 -3.483 -6.939 1.00 0.00 O ATOM 987 CB ASP A 60 2.428 -5.550 -9.461 1.00 0.00 C ATOM 988 CG ASP A 60 1.263 -6.051 -10.318 1.00 0.00 C ATOM 989 OD1 ASP A 60 0.197 -6.264 -9.767 1.00 0.00 O ATOM 990 OD2 ASP A 60 1.459 -6.212 -11.512 1.00 0.00 O ATOM 0 H ASP A 60 1.615 -2.934 -8.530 1.00 0.00 H new ATOM 0 HA ASP A 60 1.281 -5.769 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.973 -4.769 -9.992 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.132 -6.362 -9.277 1.00 0.00 H new ATOM 995 N GLU A 61 3.824 -5.606 -6.786 1.00 0.00 N ATOM 996 CA GLU A 61 4.980 -5.290 -5.905 1.00 0.00 C ATOM 997 C GLU A 61 5.942 -4.363 -6.652 1.00 0.00 C ATOM 998 O GLU A 61 6.508 -3.451 -6.084 1.00 0.00 O ATOM 999 CB GLU A 61 5.706 -6.582 -5.531 1.00 0.00 C ATOM 1000 CG GLU A 61 4.786 -7.459 -4.680 1.00 0.00 C ATOM 1001 CD GLU A 61 5.540 -8.718 -4.249 1.00 0.00 C ATOM 1002 OE1 GLU A 61 6.620 -8.945 -4.768 1.00 0.00 O ATOM 1003 OE2 GLU A 61 5.024 -9.434 -3.406 1.00 0.00 O ATOM 0 H GLU A 61 3.689 -6.596 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 61 4.626 -4.799 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.004 -7.118 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.618 -6.352 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.447 -6.907 -3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.897 -7.731 -5.248 1.00 0.00 H new ATOM 1010 N ASN A 62 6.124 -4.587 -7.924 1.00 0.00 N ATOM 1011 CA ASN A 62 7.042 -3.714 -8.709 1.00 0.00 C ATOM 1012 C ASN A 62 6.467 -2.300 -8.767 1.00 0.00 C ATOM 1013 O ASN A 62 7.154 -1.324 -8.541 1.00 0.00 O ATOM 1014 CB ASN A 62 7.171 -4.264 -10.128 1.00 0.00 C ATOM 1015 CG ASN A 62 8.402 -3.657 -10.804 1.00 0.00 C ATOM 1016 OD1 ASN A 62 9.278 -3.135 -10.141 1.00 0.00 O ATOM 1017 ND2 ASN A 62 8.507 -3.703 -12.104 1.00 0.00 N ATOM 0 H ASN A 62 5.677 -5.336 -8.453 1.00 0.00 H new ATOM 0 HA ASN A 62 8.023 -3.692 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.257 -5.350 -10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.275 -4.029 -10.703 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.324 -3.301 -12.564 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.772 -4.141 -12.660 1.00 0.00 H new ATOM 1024 N ASN A 63 5.205 -2.190 -9.072 1.00 0.00 N ATOM 1025 CA ASN A 63 4.569 -0.844 -9.150 1.00 0.00 C ATOM 1026 C ASN A 63 4.661 -0.156 -7.788 1.00 0.00 C ATOM 1027 O ASN A 63 4.871 1.038 -7.698 1.00 0.00 O ATOM 1028 CB ASN A 63 3.098 -0.996 -9.542 1.00 0.00 C ATOM 1029 CG ASN A 63 2.997 -1.645 -10.924 1.00 0.00 C ATOM 1030 OD1 ASN A 63 3.791 -1.361 -11.799 1.00 0.00 O ATOM 1031 ND2 ASN A 63 2.051 -2.514 -11.161 1.00 0.00 N ATOM 0 H ASN A 63 4.585 -2.975 -9.271 1.00 0.00 H new ATOM 0 HA ASN A 63 5.086 -0.243 -9.898 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.576 -1.606 -8.804 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.611 -0.021 -9.551 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.980 -2.953 -12.079 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.383 -2.754 -10.428 1.00 0.00 H new ATOM 1038 N MET A 64 4.505 -0.898 -6.726 1.00 0.00 N ATOM 1039 CA MET A 64 4.583 -0.284 -5.372 1.00 0.00 C ATOM 1040 C MET A 64 5.963 0.344 -5.172 1.00 0.00 C ATOM 1041 O MET A 64 6.094 1.392 -4.574 1.00 0.00 O ATOM 1042 CB MET A 64 4.349 -1.359 -4.310 1.00 0.00 C ATOM 1043 CG MET A 64 2.874 -1.766 -4.312 1.00 0.00 C ATOM 1044 SD MET A 64 1.869 -0.379 -3.725 1.00 0.00 S ATOM 1045 CE MET A 64 0.249 -1.091 -4.101 1.00 0.00 C ATOM 0 H MET A 64 4.327 -1.902 -6.738 1.00 0.00 H new ATOM 0 HA MET A 64 3.819 0.488 -5.280 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.977 -2.227 -4.511 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.632 -0.982 -3.327 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.566 -2.054 -5.317 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.724 -2.635 -3.672 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.411 -0.312 -4.484 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.361 -1.873 -4.852 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.181 -1.517 -3.194 1.00 0.00 H new ATOM 1055 N SER A 65 6.993 -0.281 -5.672 1.00 0.00 N ATOM 1056 CA SER A 65 8.355 0.298 -5.509 1.00 0.00 C ATOM 1057 C SER A 65 8.383 1.683 -6.152 1.00 0.00 C ATOM 1058 O SER A 65 8.934 2.621 -5.612 1.00 0.00 O ATOM 1059 CB SER A 65 9.383 -0.606 -6.190 1.00 0.00 C ATOM 1060 OG SER A 65 10.692 -0.151 -5.872 1.00 0.00 O ATOM 0 H SER A 65 6.951 -1.162 -6.183 1.00 0.00 H new ATOM 0 HA SER A 65 8.598 0.378 -4.449 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.253 -1.637 -5.860 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.234 -0.596 -7.270 1.00 0.00 H new ATOM 0 HG SER A 65 11.354 -0.729 -6.306 1.00 0.00 H new ATOM 1066 N GLU A 66 7.781 1.817 -7.300 1.00 0.00 N ATOM 1067 CA GLU A 66 7.755 3.138 -7.981 1.00 0.00 C ATOM 1068 C GLU A 66 6.897 4.109 -7.168 1.00 0.00 C ATOM 1069 O GLU A 66 7.161 5.293 -7.117 1.00 0.00 O ATOM 1070 CB GLU A 66 7.158 2.972 -9.379 1.00 0.00 C ATOM 1071 CG GLU A 66 8.082 2.095 -10.227 1.00 0.00 C ATOM 1072 CD GLU A 66 7.522 1.984 -11.646 1.00 0.00 C ATOM 1073 OE1 GLU A 66 6.407 2.431 -11.858 1.00 0.00 O ATOM 1074 OE2 GLU A 66 8.217 1.454 -12.497 1.00 0.00 O ATOM 0 H GLU A 66 7.304 1.065 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 66 8.768 3.531 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.169 2.519 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.031 3.947 -9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.084 2.523 -10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.170 1.104 -9.781 1.00 0.00 H new ATOM 1081 N TYR A 67 5.870 3.614 -6.534 1.00 0.00 N ATOM 1082 CA TYR A 67 4.990 4.502 -5.723 1.00 0.00 C ATOM 1083 C TYR A 67 5.789 5.139 -4.585 1.00 0.00 C ATOM 1084 O TYR A 67 5.720 6.331 -4.361 1.00 0.00 O ATOM 1085 CB TYR A 67 3.845 3.672 -5.138 1.00 0.00 C ATOM 1086 CG TYR A 67 3.062 4.510 -4.158 1.00 0.00 C ATOM 1087 CD1 TYR A 67 2.088 5.405 -4.611 1.00 0.00 C ATOM 1088 CD2 TYR A 67 3.315 4.388 -2.788 1.00 0.00 C ATOM 1089 CE1 TYR A 67 1.368 6.179 -3.692 1.00 0.00 C ATOM 1090 CE2 TYR A 67 2.598 5.160 -1.871 1.00 0.00 C ATOM 1091 CZ TYR A 67 1.624 6.057 -2.321 1.00 0.00 C ATOM 1092 OH TYR A 67 0.916 6.820 -1.416 1.00 0.00 O ATOM 0 H TYR A 67 5.602 2.630 -6.543 1.00 0.00 H new ATOM 0 HA TYR A 67 4.591 5.292 -6.360 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.191 3.322 -5.937 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.241 2.787 -4.640 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.891 5.499 -5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.066 3.695 -2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.615 6.870 -4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.796 5.064 -0.814 1.00 0.00 H new ATOM 0 HH TYR A 67 0.023 7.006 -1.773 1.00 0.00 H new ATOM 1102 N LEU A 68 6.544 4.361 -3.860 1.00 0.00 N ATOM 1103 CA LEU A 68 7.339 4.929 -2.738 1.00 0.00 C ATOM 1104 C LEU A 68 8.482 5.786 -3.284 1.00 0.00 C ATOM 1105 O LEU A 68 8.777 6.846 -2.768 1.00 0.00 O ATOM 1106 CB LEU A 68 7.907 3.782 -1.904 1.00 0.00 C ATOM 1107 CG LEU A 68 6.760 3.033 -1.218 1.00 0.00 C ATOM 1108 CD1 LEU A 68 7.307 1.810 -0.482 1.00 0.00 C ATOM 1109 CD2 LEU A 68 6.074 3.959 -0.210 1.00 0.00 C ATOM 0 H LEU A 68 6.644 3.355 -3.997 1.00 0.00 H new ATOM 0 HA LEU A 68 6.698 5.556 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.472 3.100 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.600 4.169 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 68 6.042 2.713 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.487 1.281 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.796 1.145 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.028 2.130 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.258 3.425 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.797 4.280 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.678 4.832 -0.729 1.00 0.00 H new ATOM 1121 N THR A 69 9.133 5.331 -4.315 1.00 0.00 N ATOM 1122 CA THR A 69 10.266 6.115 -4.888 1.00 0.00 C ATOM 1123 C THR A 69 9.735 7.314 -5.682 1.00 0.00 C ATOM 1124 O THR A 69 10.324 8.377 -5.679 1.00 0.00 O ATOM 1125 CB THR A 69 11.087 5.216 -5.815 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.282 4.806 -6.910 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.570 3.986 -5.044 1.00 0.00 C ATOM 0 H THR A 69 8.932 4.450 -4.788 1.00 0.00 H new ATOM 0 HA THR A 69 10.892 6.479 -4.074 1.00 0.00 H new ATOM 0 HB THR A 69 11.950 5.769 -6.186 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.780 4.001 -6.664 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.154 3.348 -5.707 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.190 4.303 -4.205 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.710 3.430 -4.670 1.00 0.00 H new ATOM 1135 N ASN A 70 8.638 7.154 -6.370 1.00 0.00 N ATOM 1136 CA ASN A 70 8.089 8.289 -7.168 1.00 0.00 C ATOM 1137 C ASN A 70 6.560 8.212 -7.212 1.00 0.00 C ATOM 1138 O ASN A 70 5.991 7.328 -7.822 1.00 0.00 O ATOM 1139 CB ASN A 70 8.643 8.221 -8.594 1.00 0.00 C ATOM 1140 CG ASN A 70 8.372 9.545 -9.309 1.00 0.00 C ATOM 1141 OD1 ASN A 70 7.712 10.415 -8.775 1.00 0.00 O ATOM 1142 ND2 ASN A 70 8.859 9.738 -10.505 1.00 0.00 N ATOM 0 H ASN A 70 8.099 6.289 -6.415 1.00 0.00 H new ATOM 0 HA ASN A 70 8.384 9.229 -6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.714 8.021 -8.570 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.177 7.399 -9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.686 10.618 -10.990 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.413 9.009 -10.954 1.00 0.00 H new ATOM 1149 N HIS A 71 5.890 9.136 -6.580 1.00 0.00 N ATOM 1150 CA HIS A 71 4.401 9.121 -6.596 1.00 0.00 C ATOM 1151 C HIS A 71 3.886 10.557 -6.716 1.00 0.00 C ATOM 1152 O HIS A 71 4.358 11.451 -6.044 1.00 0.00 O ATOM 1153 CB HIS A 71 3.878 8.499 -5.299 1.00 0.00 C ATOM 1154 CG HIS A 71 4.740 8.936 -4.145 1.00 0.00 C ATOM 1155 ND1 HIS A 71 6.089 8.818 -3.907 1.00 0.00 N flip ATOM 1156 CD2 HIS A 71 4.217 9.595 -3.041 1.00 0.00 C flip ATOM 1157 CE1 HIS A 71 6.394 9.393 -2.679 1.00 0.00 C flip ATOM 1158 NE2 HIS A 71 5.235 9.846 -2.197 1.00 0.00 N flip ATOM 0 H HIS A 71 6.310 9.901 -6.053 1.00 0.00 H new ATOM 0 HA HIS A 71 4.051 8.532 -7.444 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.845 8.802 -5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.882 7.412 -5.378 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.181 9.859 -2.887 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.366 9.459 -2.212 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.133 10.323 -1.301 1.00 0.00 H new ATOM 1167 N ALA A 72 2.920 10.786 -7.564 1.00 0.00 N ATOM 1168 CA ALA A 72 2.379 12.167 -7.720 1.00 0.00 C ATOM 1169 C ALA A 72 1.566 12.258 -9.015 1.00 0.00 C ATOM 1170 O ALA A 72 0.424 11.854 -9.066 1.00 0.00 O ATOM 1171 CB ALA A 72 3.536 13.169 -7.768 1.00 0.00 C ATOM 0 H ALA A 72 2.483 10.078 -8.154 1.00 0.00 H new ATOM 0 HA ALA A 72 1.734 12.400 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.139 14.178 -7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.110 13.107 -6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.184 12.936 -8.613 1.00 0.00 H new ATOM 1177 N LYS A 73 2.137 12.792 -10.058 1.00 0.00 N ATOM 1178 CA LYS A 73 1.386 12.912 -11.343 1.00 0.00 C ATOM 1179 C LYS A 73 0.954 11.524 -11.826 1.00 0.00 C ATOM 1180 O LYS A 73 -0.087 11.361 -12.431 1.00 0.00 O ATOM 1181 CB LYS A 73 2.280 13.563 -12.399 1.00 0.00 C ATOM 1182 CG LYS A 73 2.596 15.001 -11.984 1.00 0.00 C ATOM 1183 CD LYS A 73 3.391 15.691 -13.094 1.00 0.00 C ATOM 1184 CE LYS A 73 3.793 17.095 -12.637 1.00 0.00 C ATOM 1185 NZ LYS A 73 2.568 17.897 -12.363 1.00 0.00 N ATOM 0 H LYS A 73 3.091 13.151 -10.078 1.00 0.00 H new ATOM 0 HA LYS A 73 0.501 13.528 -11.183 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.203 12.994 -12.510 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.782 13.554 -13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.672 15.546 -11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.168 15.005 -11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.279 15.108 -13.336 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.791 15.750 -14.002 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.409 17.035 -11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.395 17.581 -13.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.810 18.908 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.862 17.718 -13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.175 17.626 -11.439 1.00 0.00 H new ATOM 1199 N TYR A 74 1.751 10.527 -11.566 1.00 0.00 N ATOM 1200 CA TYR A 74 1.404 9.146 -12.011 1.00 0.00 C ATOM 1201 C TYR A 74 0.035 8.732 -11.456 1.00 0.00 C ATOM 1202 O TYR A 74 -0.764 8.130 -12.146 1.00 0.00 O ATOM 1203 CB TYR A 74 2.481 8.188 -11.503 1.00 0.00 C ATOM 1204 CG TYR A 74 1.921 6.793 -11.393 1.00 0.00 C ATOM 1205 CD1 TYR A 74 1.185 6.241 -12.446 1.00 0.00 C ATOM 1206 CD2 TYR A 74 2.143 6.054 -10.229 1.00 0.00 C ATOM 1207 CE1 TYR A 74 0.669 4.944 -12.332 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.630 4.758 -10.113 1.00 0.00 C ATOM 1209 CZ TYR A 74 0.893 4.202 -11.164 1.00 0.00 C ATOM 1210 OH TYR A 74 0.384 2.924 -11.051 1.00 0.00 O ATOM 0 H TYR A 74 2.634 10.608 -11.061 1.00 0.00 H new ATOM 0 HA TYR A 74 1.355 9.114 -13.099 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.334 8.194 -12.182 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.845 8.520 -10.531 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.015 6.814 -13.346 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.711 6.484 -9.417 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.099 4.516 -13.143 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.803 4.187 -9.213 1.00 0.00 H new ATOM 0 HH TYR A 74 0.631 2.549 -10.180 1.00 0.00 H new ATOM 1220 N ILE A 75 -0.238 9.044 -10.220 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.553 8.662 -9.615 1.00 0.00 C ATOM 1222 C ILE A 75 -2.257 9.914 -9.085 1.00 0.00 C ATOM 1223 O ILE A 75 -1.642 10.940 -8.893 1.00 0.00 O ATOM 1224 CB ILE A 75 -1.303 7.704 -8.448 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.113 7.923 -7.921 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.455 6.254 -8.918 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.188 7.457 -6.471 1.00 0.00 C ATOM 0 H ILE A 75 0.393 9.549 -9.597 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.177 8.183 -10.370 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.029 7.897 -7.658 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.829 7.372 -8.530 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.380 8.977 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.275 5.579 -8.081 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.464 6.099 -9.299 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.734 6.050 -9.709 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.198 7.612 -6.091 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.518 8.028 -5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.062 6.397 -6.416 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.537 9.829 -8.830 1.00 0.00 N ATOM 1240 CA PRO A 76 -4.323 10.965 -8.295 1.00 0.00 C ATOM 1241 C PRO A 76 -3.508 11.813 -7.315 1.00 0.00 C ATOM 1242 O PRO A 76 -2.587 11.334 -6.682 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.492 10.287 -7.564 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.448 8.827 -7.930 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.393 8.658 -9.021 1.00 0.00 C ATOM 0 HA PRO A 76 -4.639 11.648 -9.083 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.401 10.418 -6.486 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.442 10.731 -7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.199 8.221 -7.059 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.423 8.491 -8.284 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.837 7.728 -8.905 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.839 8.641 -10.015 1.00 0.00 H new ATOM 1253 N GLY A 77 -3.840 13.067 -7.180 1.00 0.00 N ATOM 1254 CA GLY A 77 -3.085 13.940 -6.237 1.00 0.00 C ATOM 1255 C GLY A 77 -3.334 13.471 -4.802 1.00 0.00 C ATOM 1256 O GLY A 77 -3.028 14.162 -3.849 1.00 0.00 O ATOM 0 H GLY A 77 -4.601 13.525 -7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.019 13.903 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.400 14.977 -6.352 1.00 0.00 H new ATOM 1260 N THR A 78 -3.891 12.303 -4.643 1.00 0.00 N ATOM 1261 CA THR A 78 -4.170 11.781 -3.276 1.00 0.00 C ATOM 1262 C THR A 78 -2.997 12.090 -2.344 1.00 0.00 C ATOM 1263 O THR A 78 -1.852 11.846 -2.667 1.00 0.00 O ATOM 1264 CB THR A 78 -4.365 10.265 -3.344 1.00 0.00 C ATOM 1265 OG1 THR A 78 -4.914 9.805 -2.118 1.00 0.00 O ATOM 1266 CG2 THR A 78 -3.014 9.585 -3.587 1.00 0.00 C ATOM 0 H THR A 78 -4.167 11.684 -5.406 1.00 0.00 H new ATOM 0 HA THR A 78 -5.071 12.259 -2.891 1.00 0.00 H new ATOM 0 HB THR A 78 -5.044 10.022 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.778 10.241 -1.963 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.154 8.505 -3.635 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.593 9.939 -4.528 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.333 9.827 -2.771 1.00 0.00 H new ATOM 1274 N LYS A 79 -3.278 12.612 -1.181 1.00 0.00 N ATOM 1275 CA LYS A 79 -2.186 12.920 -0.219 1.00 0.00 C ATOM 1276 C LYS A 79 -2.131 11.810 0.831 1.00 0.00 C ATOM 1277 O LYS A 79 -3.148 11.388 1.346 1.00 0.00 O ATOM 1278 CB LYS A 79 -2.465 14.259 0.465 1.00 0.00 C ATOM 1279 CG LYS A 79 -2.431 15.382 -0.572 1.00 0.00 C ATOM 1280 CD LYS A 79 -2.592 16.732 0.130 1.00 0.00 C ATOM 1281 CE LYS A 79 -2.675 17.846 -0.915 1.00 0.00 C ATOM 1282 NZ LYS A 79 -2.854 19.157 -0.230 1.00 0.00 N ATOM 0 H LYS A 79 -4.218 12.838 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.234 12.982 -0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.438 14.233 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.722 14.444 1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.490 15.356 -1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.229 15.242 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.492 16.729 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.749 16.909 0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.768 17.860 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.508 17.661 -1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.910 19.915 -0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.731 19.140 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.046 19.333 0.400 1.00 0.00 H new ATOM 1296 N MET A 80 -0.958 11.327 1.146 1.00 0.00 N ATOM 1297 CA MET A 80 -0.846 10.235 2.156 1.00 0.00 C ATOM 1298 C MET A 80 -0.061 10.737 3.371 1.00 0.00 C ATOM 1299 O MET A 80 0.930 11.429 3.242 1.00 0.00 O ATOM 1300 CB MET A 80 -0.118 9.042 1.527 1.00 0.00 C ATOM 1301 CG MET A 80 -0.236 7.810 2.433 1.00 0.00 C ATOM 1302 SD MET A 80 -0.472 6.336 1.407 1.00 0.00 S ATOM 1303 CE MET A 80 1.259 5.814 1.339 1.00 0.00 C ATOM 0 H MET A 80 -0.073 11.642 0.747 1.00 0.00 H new ATOM 0 HA MET A 80 -1.841 9.928 2.477 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.542 8.823 0.547 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.932 9.289 1.372 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.662 7.704 3.042 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.074 7.928 3.120 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.344 4.915 0.729 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.862 6.609 0.900 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.615 5.603 2.347 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.500 10.392 4.551 1.00 0.00 N ATOM 1314 CA ALA A 81 0.214 10.846 5.779 1.00 0.00 C ATOM 1315 C ALA A 81 1.616 10.235 5.815 1.00 0.00 C ATOM 1316 O ALA A 81 2.511 10.752 6.453 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.569 10.402 7.016 1.00 0.00 C ATOM 0 H ALA A 81 -1.324 9.814 4.718 1.00 0.00 H new ATOM 0 HA ALA A 81 0.295 11.933 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.048 10.733 7.914 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.566 10.841 6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.651 9.315 7.024 1.00 0.00 H new ATOM 1323 N PHE A 82 1.815 9.135 5.142 1.00 0.00 N ATOM 1324 CA PHE A 82 3.159 8.493 5.147 1.00 0.00 C ATOM 1325 C PHE A 82 4.087 9.277 4.215 1.00 0.00 C ATOM 1326 O PHE A 82 3.761 9.526 3.071 1.00 0.00 O ATOM 1327 CB PHE A 82 3.027 7.049 4.650 1.00 0.00 C ATOM 1328 CG PHE A 82 4.054 6.173 5.330 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.885 5.815 6.674 1.00 0.00 C ATOM 1330 CD2 PHE A 82 5.168 5.708 4.617 1.00 0.00 C ATOM 1331 CE1 PHE A 82 4.828 4.995 7.305 1.00 0.00 C ATOM 1332 CE2 PHE A 82 6.111 4.888 5.251 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.939 4.531 6.593 1.00 0.00 C ATOM 0 H PHE A 82 1.105 8.654 4.589 1.00 0.00 H new ATOM 0 HA PHE A 82 3.571 8.492 6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.024 6.675 4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.165 7.013 3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.027 6.172 7.224 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.299 5.981 3.580 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.698 4.721 8.341 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.971 4.531 4.704 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.665 3.896 7.080 1.00 0.00 H new ATOM 1343 N GLY A 83 5.236 9.671 4.698 1.00 0.00 N ATOM 1344 CA GLY A 83 6.186 10.446 3.844 1.00 0.00 C ATOM 1345 C GLY A 83 7.544 9.745 3.823 1.00 0.00 C ATOM 1346 O GLY A 83 8.574 10.360 4.015 1.00 0.00 O ATOM 0 H GLY A 83 5.559 9.490 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.794 10.531 2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.294 11.460 4.230 1.00 0.00 H new ATOM 1350 N GLY A 84 7.554 8.462 3.592 1.00 0.00 N ATOM 1351 CA GLY A 84 8.845 7.721 3.560 1.00 0.00 C ATOM 1352 C GLY A 84 9.117 7.118 4.937 1.00 0.00 C ATOM 1353 O GLY A 84 8.617 7.587 5.939 1.00 0.00 O ATOM 0 H GLY A 84 6.723 7.894 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.807 6.934 2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.656 8.393 3.278 1.00 0.00 H new ATOM 1357 N LEU A 85 9.904 6.077 4.992 1.00 0.00 N ATOM 1358 CA LEU A 85 10.213 5.432 6.300 1.00 0.00 C ATOM 1359 C LEU A 85 11.716 5.510 6.574 1.00 0.00 C ATOM 1360 O LEU A 85 12.528 5.193 5.727 1.00 0.00 O ATOM 1361 CB LEU A 85 9.763 3.970 6.251 1.00 0.00 C ATOM 1362 CG LEU A 85 10.057 3.285 7.587 1.00 0.00 C ATOM 1363 CD1 LEU A 85 9.365 4.040 8.722 1.00 0.00 C ATOM 1364 CD2 LEU A 85 9.529 1.851 7.541 1.00 0.00 C ATOM 0 H LEU A 85 10.348 5.644 4.182 1.00 0.00 H new ATOM 0 HA LEU A 85 9.685 5.949 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.696 3.917 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.280 3.449 5.445 1.00 0.00 H new ATOM 0 HG LEU A 85 11.133 3.281 7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.579 3.547 9.670 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.734 5.065 8.755 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.289 4.047 8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.735 1.357 8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.453 1.865 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.021 1.308 6.735 1.00 0.00 H new ATOM 1376 N LYS A 86 12.094 5.930 7.752 1.00 0.00 N ATOM 1377 CA LYS A 86 13.545 6.030 8.077 1.00 0.00 C ATOM 1378 C LYS A 86 14.204 4.660 7.904 1.00 0.00 C ATOM 1379 O LYS A 86 15.329 4.556 7.458 1.00 0.00 O ATOM 1380 CB LYS A 86 13.713 6.494 9.527 1.00 0.00 C ATOM 1381 CG LYS A 86 13.162 7.913 9.678 1.00 0.00 C ATOM 1382 CD LYS A 86 13.436 8.419 11.095 1.00 0.00 C ATOM 1383 CE LYS A 86 12.790 9.793 11.282 1.00 0.00 C ATOM 1384 NZ LYS A 86 13.808 10.753 11.793 1.00 0.00 N ATOM 0 H LYS A 86 11.461 6.208 8.502 1.00 0.00 H new ATOM 0 HA LYS A 86 14.017 6.748 7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.188 5.816 10.200 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.766 6.470 9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.628 8.575 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.090 7.922 9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.038 7.716 11.827 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.510 8.484 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.383 10.148 10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.957 9.723 11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.370 11.688 11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.176 10.416 12.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.589 10.827 11.110 1.00 0.00 H new ATOM 1398 N LYS A 87 13.513 3.607 8.247 1.00 0.00 N ATOM 1399 CA LYS A 87 14.105 2.249 8.096 1.00 0.00 C ATOM 1400 C LYS A 87 13.653 1.649 6.764 1.00 0.00 C ATOM 1401 O LYS A 87 12.533 1.200 6.620 1.00 0.00 O ATOM 1402 CB LYS A 87 13.636 1.359 9.248 1.00 0.00 C ATOM 1403 CG LYS A 87 14.180 1.905 10.568 1.00 0.00 C ATOM 1404 CD LYS A 87 13.792 0.965 11.710 1.00 0.00 C ATOM 1405 CE LYS A 87 14.252 1.560 13.043 1.00 0.00 C ATOM 1406 NZ LYS A 87 15.457 0.826 13.525 1.00 0.00 N ATOM 0 H LYS A 87 12.566 3.629 8.625 1.00 0.00 H new ATOM 0 HA LYS A 87 15.193 2.317 8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.547 1.327 9.277 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.981 0.336 9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.264 2.000 10.514 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.781 2.902 10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.712 0.815 11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.248 -0.013 11.560 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.482 2.618 12.921 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.452 1.491 13.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.770 1.230 14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.222 -0.179 13.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.220 0.914 12.824 1.00 0.00 H new ATOM 1420 N GLU A 88 14.516 1.644 5.785 1.00 0.00 N ATOM 1421 CA GLU A 88 14.139 1.079 4.459 1.00 0.00 C ATOM 1422 C GLU A 88 13.906 -0.430 4.575 1.00 0.00 C ATOM 1423 O GLU A 88 13.030 -0.980 3.938 1.00 0.00 O ATOM 1424 CB GLU A 88 15.265 1.343 3.456 1.00 0.00 C ATOM 1425 CG GLU A 88 15.413 2.851 3.240 1.00 0.00 C ATOM 1426 CD GLU A 88 16.495 3.112 2.190 1.00 0.00 C ATOM 1427 OE1 GLU A 88 17.175 2.170 1.822 1.00 0.00 O ATOM 1428 OE2 GLU A 88 16.623 4.251 1.773 1.00 0.00 O ATOM 0 H GLU A 88 15.467 2.007 5.847 1.00 0.00 H new ATOM 0 HA GLU A 88 13.220 1.556 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.201 0.924 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.046 0.849 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.464 3.277 2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.676 3.339 4.178 1.00 0.00 H new ATOM 1435 N LYS A 89 14.682 -1.106 5.378 1.00 0.00 N ATOM 1436 CA LYS A 89 14.500 -2.575 5.521 1.00 0.00 C ATOM 1437 C LYS A 89 13.096 -2.873 6.047 1.00 0.00 C ATOM 1438 O LYS A 89 12.410 -3.748 5.555 1.00 0.00 O ATOM 1439 CB LYS A 89 15.539 -3.117 6.502 1.00 0.00 C ATOM 1440 CG LYS A 89 16.941 -2.932 5.918 1.00 0.00 C ATOM 1441 CD LYS A 89 17.971 -3.579 6.847 1.00 0.00 C ATOM 1442 CE LYS A 89 19.379 -3.292 6.326 1.00 0.00 C ATOM 1443 NZ LYS A 89 19.382 -3.360 4.837 1.00 0.00 N ATOM 0 H LYS A 89 15.432 -0.704 5.940 1.00 0.00 H new ATOM 0 HA LYS A 89 14.627 -3.053 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.460 -2.596 7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.352 -4.173 6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.996 -3.382 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.159 -1.871 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.860 -3.189 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.804 -4.655 6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.706 -2.306 6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 89 20.084 -4.016 6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 20.355 -3.505 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.785 -4.152 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.009 -2.471 4.448 1.00 0.00 H new ATOM 1457 N ASP A 90 12.664 -2.151 7.042 1.00 0.00 N ATOM 1458 CA ASP A 90 11.305 -2.388 7.598 1.00 0.00 C ATOM 1459 C ASP A 90 10.254 -2.081 6.530 1.00 0.00 C ATOM 1460 O ASP A 90 9.264 -2.773 6.401 1.00 0.00 O ATOM 1461 CB ASP A 90 11.093 -1.475 8.805 1.00 0.00 C ATOM 1462 CG ASP A 90 11.996 -1.932 9.952 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.589 -2.990 9.827 1.00 0.00 O ATOM 1464 OD2 ASP A 90 12.078 -1.217 10.936 1.00 0.00 O ATOM 0 H ASP A 90 13.194 -1.406 7.494 1.00 0.00 H new ATOM 0 HA ASP A 90 11.209 -3.429 7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.319 -0.443 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.049 -1.502 9.117 1.00 0.00 H new ATOM 1469 N ARG A 91 10.463 -1.046 5.765 1.00 0.00 N ATOM 1470 CA ARG A 91 9.478 -0.688 4.708 1.00 0.00 C ATOM 1471 C ARG A 91 9.311 -1.864 3.743 1.00 0.00 C ATOM 1472 O ARG A 91 8.222 -2.165 3.299 1.00 0.00 O ATOM 1473 CB ARG A 91 9.982 0.537 3.942 1.00 0.00 C ATOM 1474 CG ARG A 91 8.905 1.011 2.966 1.00 0.00 C ATOM 1475 CD ARG A 91 9.377 2.289 2.269 1.00 0.00 C ATOM 1476 NE ARG A 91 10.488 1.963 1.332 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.354 2.881 1.000 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.247 4.087 1.488 1.00 0.00 N ATOM 1479 NH2 ARG A 91 12.326 2.594 0.179 1.00 0.00 N ATOM 0 H ARG A 91 11.275 -0.432 5.827 1.00 0.00 H new ATOM 0 HA ARG A 91 8.516 -0.461 5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.232 1.337 4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.895 0.289 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.701 0.235 2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.973 1.197 3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.550 2.746 1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.712 3.016 3.008 1.00 0.00 H new ATOM 0 HE ARG A 91 10.572 1.021 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.486 4.312 2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.924 4.804 1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.409 1.652 -0.203 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.003 3.311 -0.081 1.00 0.00 H new ATOM 1493 N ASN A 92 10.385 -2.526 3.414 1.00 0.00 N ATOM 1494 CA ASN A 92 10.292 -3.678 2.477 1.00 0.00 C ATOM 1495 C ASN A 92 9.363 -4.746 3.056 1.00 0.00 C ATOM 1496 O ASN A 92 8.558 -5.330 2.357 1.00 0.00 O ATOM 1497 CB ASN A 92 11.687 -4.270 2.277 1.00 0.00 C ATOM 1498 CG ASN A 92 12.604 -3.218 1.652 1.00 0.00 C ATOM 1499 OD1 ASN A 92 13.719 -3.025 2.097 1.00 0.00 O ATOM 1500 ND2 ASN A 92 12.181 -2.524 0.631 1.00 0.00 N ATOM 0 H ASN A 92 11.324 -2.318 3.754 1.00 0.00 H new ATOM 0 HA ASN A 92 9.892 -3.339 1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.094 -4.600 3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.632 -5.148 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 92 12.786 -1.820 0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 92 11.246 -2.685 0.257 1.00 0.00 H new ATOM 1507 N ASP A 93 9.466 -5.005 4.329 1.00 0.00 N ATOM 1508 CA ASP A 93 8.591 -6.034 4.952 1.00 0.00 C ATOM 1509 C ASP A 93 7.126 -5.629 4.787 1.00 0.00 C ATOM 1510 O ASP A 93 6.263 -6.456 4.571 1.00 0.00 O ATOM 1511 CB ASP A 93 8.929 -6.148 6.438 1.00 0.00 C ATOM 1512 CG ASP A 93 10.334 -6.730 6.598 1.00 0.00 C ATOM 1513 OD1 ASP A 93 10.869 -7.215 5.616 1.00 0.00 O ATOM 1514 OD2 ASP A 93 10.851 -6.681 7.702 1.00 0.00 O ATOM 0 H ASP A 93 10.119 -4.548 4.965 1.00 0.00 H new ATOM 0 HA ASP A 93 8.753 -6.996 4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.874 -5.167 6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.201 -6.785 6.940 1.00 0.00 H new ATOM 1519 N LEU A 94 6.839 -4.362 4.891 1.00 0.00 N ATOM 1520 CA LEU A 94 5.434 -3.900 4.745 1.00 0.00 C ATOM 1521 C LEU A 94 4.897 -4.274 3.363 1.00 0.00 C ATOM 1522 O LEU A 94 3.776 -4.718 3.224 1.00 0.00 O ATOM 1523 CB LEU A 94 5.391 -2.381 4.907 1.00 0.00 C ATOM 1524 CG LEU A 94 5.832 -1.997 6.320 1.00 0.00 C ATOM 1525 CD1 LEU A 94 5.826 -0.474 6.461 1.00 0.00 C ATOM 1526 CD2 LEU A 94 4.862 -2.601 7.338 1.00 0.00 C ATOM 0 H LEU A 94 7.521 -3.625 5.072 1.00 0.00 H new ATOM 0 HA LEU A 94 4.818 -4.377 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.043 -1.909 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.382 -2.015 4.719 1.00 0.00 H new ATOM 0 HG LEU A 94 6.837 -2.377 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.140 -0.201 7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.513 -0.039 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.820 -0.096 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.175 -2.328 8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.858 -2.219 7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.861 -3.687 7.240 1.00 0.00 H new ATOM 1538 N ILE A 95 5.684 -4.095 2.340 1.00 0.00 N ATOM 1539 CA ILE A 95 5.214 -4.431 0.972 1.00 0.00 C ATOM 1540 C ILE A 95 4.747 -5.886 0.929 1.00 0.00 C ATOM 1541 O ILE A 95 3.686 -6.193 0.422 1.00 0.00 O ATOM 1542 CB ILE A 95 6.367 -4.235 -0.010 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.821 -2.774 0.022 1.00 0.00 C ATOM 1544 CG2 ILE A 95 5.897 -4.590 -1.415 1.00 0.00 C ATOM 1545 CD1 ILE A 95 8.060 -2.606 -0.860 1.00 0.00 C ATOM 0 H ILE A 95 6.635 -3.729 2.394 1.00 0.00 H new ATOM 0 HA ILE A 95 4.382 -3.782 0.700 1.00 0.00 H new ATOM 0 HB ILE A 95 7.200 -4.880 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.019 -2.125 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.047 -2.474 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.717 -4.451 -2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.571 -5.630 -1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.066 -3.943 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.384 -1.566 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.861 -3.244 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.818 -2.889 -1.885 1.00 0.00 H new ATOM 1557 N THR A 96 5.529 -6.783 1.454 1.00 0.00 N ATOM 1558 CA THR A 96 5.132 -8.220 1.441 1.00 0.00 C ATOM 1559 C THR A 96 3.819 -8.399 2.210 1.00 0.00 C ATOM 1560 O THR A 96 2.950 -9.152 1.810 1.00 0.00 O ATOM 1561 CB THR A 96 6.227 -9.053 2.109 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.486 -8.712 1.548 1.00 0.00 O ATOM 1563 CG2 THR A 96 5.954 -10.539 1.879 1.00 0.00 C ATOM 0 H THR A 96 6.428 -6.585 1.893 1.00 0.00 H new ATOM 0 HA THR A 96 4.996 -8.549 0.411 1.00 0.00 H new ATOM 0 HB THR A 96 6.236 -8.849 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.201 -8.982 2.161 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.736 -11.131 2.356 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.987 -10.802 2.308 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.944 -10.746 0.809 1.00 0.00 H new ATOM 1571 N TYR A 97 3.672 -7.722 3.316 1.00 0.00 N ATOM 1572 CA TYR A 97 2.423 -7.863 4.117 1.00 0.00 C ATOM 1573 C TYR A 97 1.206 -7.446 3.285 1.00 0.00 C ATOM 1574 O TYR A 97 0.171 -8.080 3.332 1.00 0.00 O ATOM 1575 CB TYR A 97 2.511 -6.982 5.365 1.00 0.00 C ATOM 1576 CG TYR A 97 1.284 -7.200 6.216 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.249 -8.254 7.136 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.180 -6.350 6.083 1.00 0.00 C ATOM 1579 CE1 TYR A 97 0.111 -8.458 7.924 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -0.959 -6.555 6.870 1.00 0.00 C ATOM 1581 CZ TYR A 97 -0.995 -7.608 7.791 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.117 -7.809 8.566 1.00 0.00 O ATOM 0 H TYR A 97 4.363 -7.077 3.700 1.00 0.00 H new ATOM 0 HA TYR A 97 2.311 -8.907 4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.409 -7.224 5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.588 -5.933 5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.101 -8.910 7.238 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.207 -5.536 5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.085 -9.271 8.635 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.811 -5.900 6.766 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.790 -7.131 8.349 1.00 0.00 H new ATOM 1592 N LEU A 98 1.312 -6.385 2.531 1.00 0.00 N ATOM 1593 CA LEU A 98 0.149 -5.943 1.715 1.00 0.00 C ATOM 1594 C LEU A 98 -0.263 -7.062 0.764 1.00 0.00 C ATOM 1595 O LEU A 98 -1.434 -7.282 0.522 1.00 0.00 O ATOM 1596 CB LEU A 98 0.526 -4.696 0.915 1.00 0.00 C ATOM 1597 CG LEU A 98 0.945 -3.575 1.868 1.00 0.00 C ATOM 1598 CD1 LEU A 98 1.212 -2.299 1.068 1.00 0.00 C ATOM 1599 CD2 LEU A 98 -0.174 -3.313 2.880 1.00 0.00 C ATOM 0 H LEU A 98 2.150 -5.809 2.446 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.686 -5.706 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.341 -4.926 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.320 -4.373 0.308 1.00 0.00 H new ATOM 0 HG LEU A 98 1.850 -3.872 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.511 -1.500 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.010 -2.481 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.306 -2.005 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.128 -2.514 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.081 -3.018 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.367 -4.220 3.452 1.00 0.00 H new ATOM 1611 N LYS A 99 0.680 -7.785 0.230 1.00 0.00 N ATOM 1612 CA LYS A 99 0.312 -8.895 -0.687 1.00 0.00 C ATOM 1613 C LYS A 99 -0.619 -9.841 0.065 1.00 0.00 C ATOM 1614 O LYS A 99 -1.583 -10.346 -0.474 1.00 0.00 O ATOM 1615 CB LYS A 99 1.570 -9.649 -1.123 1.00 0.00 C ATOM 1616 CG LYS A 99 1.189 -10.726 -2.141 1.00 0.00 C ATOM 1617 CD LYS A 99 2.452 -11.433 -2.639 1.00 0.00 C ATOM 1618 CE LYS A 99 3.095 -12.210 -1.487 1.00 0.00 C ATOM 1619 NZ LYS A 99 3.534 -13.549 -1.976 1.00 0.00 N ATOM 0 H LYS A 99 1.680 -7.657 0.387 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.183 -8.501 -1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.289 -8.957 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.052 -10.105 -0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.512 -11.448 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.657 -10.276 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.203 -12.112 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.157 -10.703 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.948 -11.657 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.383 -12.325 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.971 -14.078 -1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.711 -14.075 -2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.227 -13.429 -2.742 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.339 -10.075 1.318 1.00 0.00 N ATOM 1634 CA LYS A 100 -1.207 -10.974 2.123 1.00 0.00 C ATOM 1635 C LYS A 100 -2.616 -10.386 2.206 1.00 0.00 C ATOM 1636 O LYS A 100 -3.597 -11.102 2.252 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.629 -11.112 3.534 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.449 -12.134 4.323 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.823 -12.336 5.705 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.966 -11.051 6.524 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.880 -11.376 7.977 1.00 0.00 N ATOM 0 H LYS A 100 0.457 -9.680 1.819 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.251 -11.955 1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.413 -11.428 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.645 -10.147 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.478 -11.789 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.483 -13.082 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.311 -13.164 6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.230 -12.600 5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.182 -10.344 6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.919 -10.571 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.177 -10.550 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.504 -12.181 8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.100 -11.624 8.220 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.726 -9.084 2.238 1.00 0.00 N ATOM 1656 CA ALA A 101 -4.073 -8.454 2.333 1.00 0.00 C ATOM 1657 C ALA A 101 -4.922 -8.852 1.123 1.00 0.00 C ATOM 1658 O ALA A 101 -6.108 -9.088 1.241 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.918 -6.932 2.373 1.00 0.00 C ATOM 0 H ALA A 101 -1.942 -8.432 2.202 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.568 -8.796 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.902 -6.468 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.321 -6.650 3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.420 -6.593 1.465 1.00 0.00 H new ATOM 1665 N THR A 102 -4.334 -8.933 -0.038 1.00 0.00 N ATOM 1666 CA THR A 102 -5.129 -9.319 -1.239 1.00 0.00 C ATOM 1667 C THR A 102 -5.507 -10.799 -1.147 1.00 0.00 C ATOM 1668 O THR A 102 -6.536 -11.218 -1.639 1.00 0.00 O ATOM 1669 CB THR A 102 -4.310 -9.065 -2.509 1.00 0.00 C ATOM 1670 OG1 THR A 102 -5.180 -8.629 -3.544 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.604 -10.351 -2.946 1.00 0.00 C ATOM 0 H THR A 102 -3.345 -8.750 -0.208 1.00 0.00 H new ATOM 0 HA THR A 102 -6.038 -8.718 -1.280 1.00 0.00 H new ATOM 0 HB THR A 102 -3.560 -8.300 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.028 -9.169 -4.348 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.025 -10.159 -3.849 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.937 -10.688 -2.152 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.346 -11.123 -3.148 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.684 -11.595 -0.521 1.00 0.00 N ATOM 1680 CA GLU A 103 -4.998 -13.047 -0.401 1.00 0.00 C ATOM 1681 C GLU A 103 -4.085 -13.681 0.650 1.00 0.00 C ATOM 1682 O GLU A 103 -2.973 -14.075 0.364 1.00 0.00 O ATOM 1683 CB GLU A 103 -4.772 -13.731 -1.752 1.00 0.00 C ATOM 1684 CG GLU A 103 -5.230 -15.188 -1.668 1.00 0.00 C ATOM 1685 CD GLU A 103 -4.912 -15.899 -2.985 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -4.349 -15.261 -3.860 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -5.236 -17.070 -3.097 1.00 0.00 O ATOM 0 H GLU A 103 -3.808 -11.303 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.038 -13.170 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.325 -13.209 -2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.717 -13.685 -2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.729 -15.691 -0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.300 -15.233 -1.467 1.00 0.00 H new TER 1694 GLU A 103 HETATM 1695 FE HEC A 104 -2.166 4.712 2.038 1.00 0.00 FE HETATM 1696 CHA HEC A 104 -3.260 4.566 -1.162 1.00 0.00 C HETATM 1697 CHB HEC A 104 -0.002 2.195 1.402 1.00 0.00 C HETATM 1698 CHC HEC A 104 -1.120 4.833 5.246 1.00 0.00 C HETATM 1699 CHD HEC A 104 -4.355 7.217 2.660 1.00 0.00 C HETATM 1700 NA HEC A 104 -1.724 3.628 0.471 1.00 0.00 N HETATM 1701 C1A HEC A 104 -2.265 3.700 -0.795 1.00 0.00 C HETATM 1702 C2A HEC A 104 -1.645 2.761 -1.694 1.00 0.00 C HETATM 1703 C3A HEC A 104 -0.796 2.026 -0.942 1.00 0.00 C HETATM 1704 C4A HEC A 104 -0.802 2.614 0.374 1.00 0.00 C HETATM 1705 CMA HEC A 104 -0.189 0.718 -1.322 1.00 0.00 C HETATM 1706 CAA HEC A 104 -1.646 2.847 -3.183 1.00 0.00 C HETATM 1707 CBA HEC A 104 -0.890 4.075 -3.694 1.00 0.00 C HETATM 1708 CGA HEC A 104 -1.862 5.005 -4.423 1.00 0.00 C HETATM 1709 O1A HEC A 104 -2.590 4.522 -5.273 1.00 0.00 O HETATM 1710 O2A HEC A 104 -1.860 6.187 -4.118 1.00 0.00 O HETATM 1711 NB HEC A 104 -0.836 3.732 3.096 1.00 0.00 N HETATM 1712 C1B HEC A 104 -0.003 2.714 2.681 1.00 0.00 C HETATM 1713 C2B HEC A 104 0.860 2.256 3.755 1.00 0.00 C HETATM 1714 C3B HEC A 104 0.443 2.914 4.882 1.00 0.00 C HETATM 1715 C4B HEC A 104 -0.538 3.885 4.433 1.00 0.00 C HETATM 1716 CMB HEC A 104 2.178 1.560 3.578 1.00 0.00 C HETATM 1717 CAB HEC A 104 0.614 2.453 6.306 1.00 0.00 C HETATM 1718 CBB HEC A 104 1.963 1.790 6.610 1.00 0.00 C HETATM 1719 NC HEC A 104 -2.622 5.796 3.600 1.00 0.00 N HETATM 1720 C1C HEC A 104 -2.081 5.729 4.860 1.00 0.00 C HETATM 1721 C2C HEC A 104 -2.651 6.718 5.738 1.00 0.00 C HETATM 1722 C3C HEC A 104 -3.647 7.312 5.041 1.00 0.00 C HETATM 1723 C4C HEC A 104 -3.568 6.791 3.699 1.00 0.00 C HETATM 1724 CMC HEC A 104 -2.016 7.245 6.979 1.00 0.00 C HETATM 1725 CAC HEC A 104 -4.785 8.084 5.620 1.00 0.00 C HETATM 1726 CBC HEC A 104 -4.498 9.583 5.728 1.00 0.00 C HETATM 1727 ND HEC A 104 -3.503 5.681 0.982 1.00 0.00 N HETATM 1728 C1D HEC A 104 -4.326 6.707 1.389 1.00 0.00 C HETATM 1729 C2D HEC A 104 -5.154 7.185 0.311 1.00 0.00 C HETATM 1730 C3D HEC A 104 -4.917 6.364 -0.740 1.00 0.00 C HETATM 1731 C4D HEC A 104 -3.846 5.489 -0.336 1.00 0.00 C HETATM 1732 CMD HEC A 104 -5.825 8.516 0.252 1.00 0.00 C HETATM 1733 CAD HEC A 104 -5.770 6.206 -1.951 1.00 0.00 C HETATM 1734 CBD HEC A 104 -5.136 6.831 -3.194 1.00 0.00 C HETATM 1735 CGD HEC A 104 -5.577 6.056 -4.437 1.00 0.00 C HETATM 1736 O1D HEC A 104 -5.391 4.851 -4.455 1.00 0.00 O HETATM 1737 O2D HEC A 104 -6.092 6.682 -5.349 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -6.509 8.617 1.095 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 -5.074 9.305 0.298 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 -6.383 8.601 -0.680 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.844 6.425 7.676 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -1.065 7.715 6.730 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.674 7.981 7.440 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 2.029 0.634 3.023 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.860 2.207 3.026 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.604 1.333 4.555 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.979 -0.011 -1.501 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 0.403 0.842 -2.229 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.453 0.366 -0.514 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -5.433 7.876 -3.280 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -4.049 6.814 -3.109 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -3.631 9.742 6.369 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -4.295 9.987 4.736 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -5.363 10.089 6.156 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 2.087 0.910 5.978 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 2.769 2.496 6.410 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 1.994 1.492 7.658 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -0.423 4.600 -2.861 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.089 3.768 -4.367 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 -5.948 5.146 -2.131 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 -6.741 6.667 -1.771 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 -1.193 1.946 -3.597 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -2.675 2.881 -3.542 1.00 0.00 H new HETATM 0 HHD HEC A 104 -5.059 8.025 2.861 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.788 4.873 6.283 1.00 0.00 H new HETATM 0 HHB HEC A 104 0.695 1.383 1.193 1.00 0.00 H new HETATM 0 HHA HEC A 104 -3.614 4.517 -2.192 1.00 0.00 H new