USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 72 M3L H2 : A 72 M3L N : A 71 PRO C :(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 Set 1.1: A 48 TYR OH : rot 30:sc= -2.07! USER MOD Set 1.2: A 52 ASN : amide:sc= -1.77 K(o=-2.3,f=-3.8!) USER MOD Set 1.3: A 104 HEC O2A : rot 143:sc= 1.54 USER MOD Set 2.1: A 67 TYR OH : rot -165:sc= 1 USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 63 ASN : amide:sc= -1.34! C(o=-1.3!,f=-4.2!) USER MOD Set 3.2: A 74 TYR OH : rot -168:sc= 0.0405 USER MOD Set 4.1: A 46 TYR OH : rot 110:sc= -0.596 USER MOD Set 4.2: A 104 HEC O2D : rot 170:sc= 0 USER MOD Set 5.1: A 39 HIS : no HD1:sc= -9.12! C(o=-12!,f=-11!) USER MOD Set 5.2: A 56 ASN : amide:sc= -2.45 K(o=-12,f=-17!) USER MOD Set 6.1: A 22 LYS NZ :NH3+ -146:sc= 0.737 (180deg=0) USER MOD Set 6.2: A 33 HIS : no HE2:sc= -5.42! C(o=-4.7!,f=-22!) USER MOD Set 7.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 31 ASN : amide:sc= -7.41! C(o=-7.4!,f=-7.7!) USER MOD Set 8.1: A -5 THR OG1 : rot 176:sc= 0.928 USER MOD Set 8.2: A 62 ASN : amide:sc= 1.17 K(o=2.1,f=-3.1!) USER MOD Set 9.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 9.2: 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 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -149:sc= 0.167 (180deg=-0.833) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.973 K(o=-0.97,f=-3.6!) USER MOD Single : A 26 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-2.8) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 20:sc= 0.557 USER MOD Single : A 42 GLN : amide:sc= -9.98! C(o=-10!,f=-12!) USER MOD Single : A 47 SER OG : rot 40:sc= 0.0702 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= 0.552 (180deg=-1.1!) USER MOD Single : A 64 MET CE :methyl -113:sc= -10.2! (180deg=-18.1!) USER MOD Single : A 65 SER OG : rot -36:sc= 0.637 USER MOD Single : A 69 THR OG1 : rot 95:sc= 0.207 USER MOD Single : A 70 ASN : amide:sc= -0.386 K(o=-0.39,f=-1.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 163:sc= -2.09 (180deg=-3.01!) USER MOD Single : A 86 LYS NZ :NH3+ -114:sc= -1.2 (180deg=-1.76) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -2.58! C(o=-2.6!,f=-4.1!) USER MOD Single : A 96 THR OG1 : rot -150:sc= 0 USER MOD Single : A 97 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0372) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -94:sc= -0.883 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 10.790 -15.434 -3.927 1.00 0.00 N ATOM 2 CA THR A -5 9.492 -15.749 -3.353 1.00 0.00 C ATOM 3 C THR A -5 8.752 -16.759 -4.232 1.00 0.00 C ATOM 4 O THR A -5 8.532 -17.898 -3.823 1.00 0.00 O ATOM 5 CB THR A -5 8.729 -14.436 -3.162 1.00 0.00 C ATOM 6 OG1 THR A -5 8.774 -13.818 -4.445 1.00 0.00 O ATOM 7 CG2 THR A -5 9.470 -13.456 -2.250 1.00 0.00 C ATOM 0 H1 THR A -5 11.462 -15.214 -3.165 1.00 0.00 H new ATOM 0 H2 THR A -5 11.137 -16.251 -4.470 1.00 0.00 H new ATOM 0 H3 THR A -5 10.700 -14.612 -4.558 1.00 0.00 H new ATOM 0 HA THR A -5 9.595 -16.227 -2.379 1.00 0.00 H new ATOM 0 HB THR A -5 7.744 -14.646 -2.745 1.00 0.00 H new ATOM 0 HG1 THR A -5 8.253 -12.988 -4.427 1.00 0.00 H new ATOM 0 HG21 THR A -5 8.886 -12.541 -2.148 1.00 0.00 H new ATOM 0 HG22 THR A -5 9.611 -13.908 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A -5 10.442 -13.219 -2.683 1.00 0.00 H new ATOM 15 N GLU A -4 8.388 -16.305 -5.422 1.00 0.00 N ATOM 16 CA GLU A -4 7.677 -17.156 -6.361 1.00 0.00 C ATOM 17 C GLU A -4 6.171 -17.102 -6.092 1.00 0.00 C ATOM 18 O GLU A -4 5.374 -17.560 -6.909 1.00 0.00 O ATOM 19 CB GLU A -4 8.193 -18.594 -6.299 1.00 0.00 C ATOM 20 CG GLU A -4 8.190 -19.239 -7.686 1.00 0.00 C ATOM 21 CD GLU A -4 7.649 -20.669 -7.625 1.00 0.00 C ATOM 22 OE1 GLU A -4 8.444 -21.562 -7.262 1.00 0.00 O ATOM 23 OE2 GLU A -4 6.451 -20.837 -7.941 1.00 0.00 O ATOM 0 H GLU A -4 8.572 -15.359 -5.757 1.00 0.00 H new ATOM 0 HA GLU A -4 7.860 -16.783 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A -4 9.204 -18.604 -5.892 1.00 0.00 H new ATOM 0 HB3 GLU A -4 7.571 -19.178 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A -4 7.580 -18.644 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU A -4 9.202 -19.246 -8.090 1.00 0.00 H new ATOM 30 N PHE A -3 5.828 -16.537 -4.943 1.00 0.00 N ATOM 31 CA PHE A -3 4.433 -16.418 -4.556 1.00 0.00 C ATOM 32 C PHE A -3 3.748 -17.786 -4.542 1.00 0.00 C ATOM 33 O PHE A -3 3.491 -18.366 -5.596 1.00 0.00 O ATOM 34 CB PHE A -3 3.753 -15.531 -5.602 1.00 0.00 C ATOM 35 CG PHE A -3 2.313 -15.148 -5.252 1.00 0.00 C ATOM 36 CD1 PHE A -3 2.025 -14.636 -4.026 1.00 0.00 C ATOM 37 CD2 PHE A -3 1.322 -15.320 -6.167 1.00 0.00 C ATOM 38 CE1 PHE A -3 0.689 -14.281 -3.701 1.00 0.00 C ATOM 39 CE2 PHE A -3 -0.013 -14.965 -5.843 1.00 0.00 C ATOM 40 CZ PHE A -3 -0.302 -14.453 -4.616 1.00 0.00 C ATOM 0 H PHE A -3 6.492 -16.157 -4.268 1.00 0.00 H new ATOM 0 HA PHE A -3 4.360 -15.995 -3.554 1.00 0.00 H new ATOM 0 HB2 PHE A -3 4.340 -14.621 -5.728 1.00 0.00 H new ATOM 0 HB3 PHE A -3 3.757 -16.049 -6.561 1.00 0.00 H new ATOM 0 HD1 PHE A -3 2.812 -14.499 -3.299 1.00 0.00 H new ATOM 0 HD2 PHE A -3 1.551 -15.727 -7.141 1.00 0.00 H new ATOM 0 HE1 PHE A -3 0.460 -13.874 -2.727 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -0.800 -15.101 -6.570 1.00 0.00 H new ATOM 0 HZ PHE A -3 -1.318 -14.183 -4.369 1.00 0.00 H new ATOM 50 N LYS A -2 3.473 -18.262 -3.337 1.00 0.00 N ATOM 51 CA LYS A -2 2.823 -19.551 -3.172 1.00 0.00 C ATOM 52 C LYS A -2 1.341 -19.334 -2.857 1.00 0.00 C ATOM 53 O LYS A -2 0.679 -20.225 -2.328 1.00 0.00 O ATOM 54 CB LYS A -2 3.557 -20.391 -2.125 1.00 0.00 C ATOM 55 CG LYS A -2 4.196 -21.627 -2.764 1.00 0.00 C ATOM 56 CD LYS A -2 5.679 -21.389 -3.055 1.00 0.00 C ATOM 57 CE LYS A -2 6.226 -22.448 -4.014 1.00 0.00 C ATOM 58 NZ LYS A -2 6.719 -23.623 -3.263 1.00 0.00 N ATOM 0 H LYS A -2 3.688 -17.778 -2.465 1.00 0.00 H new ATOM 0 HA LYS A -2 2.872 -20.123 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A -2 4.326 -19.787 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A -2 2.859 -20.699 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A -2 4.085 -22.483 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A -2 3.675 -21.873 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A -2 5.814 -20.397 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A -2 6.244 -21.410 -2.123 1.00 0.00 H new ATOM 0 HE2 LYS A -2 5.445 -22.755 -4.709 1.00 0.00 H new ATOM 0 HE3 LYS A -2 7.035 -22.024 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 7.087 -24.332 -3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 7.479 -23.328 -2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 5.939 -24.036 -2.714 1.00 0.00 H new ATOM 72 N ALA A -1 0.865 -18.145 -3.195 1.00 0.00 N ATOM 73 CA ALA A -1 -0.525 -17.799 -2.955 1.00 0.00 C ATOM 74 C ALA A -1 -0.827 -17.926 -1.460 1.00 0.00 C ATOM 75 O ALA A -1 -0.112 -18.616 -0.735 1.00 0.00 O ATOM 76 CB ALA A -1 -1.428 -18.691 -3.809 1.00 0.00 C ATOM 0 H ALA A -1 1.418 -17.409 -3.634 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.719 -16.766 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -2.471 -18.431 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -1.194 -18.543 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -1.263 -19.735 -3.544 1.00 0.00 H new ATOM 82 N GLY A 1 -1.887 -17.249 -1.043 1.00 0.00 N ATOM 83 CA GLY A 1 -2.292 -17.277 0.352 1.00 0.00 C ATOM 84 C GLY A 1 -3.748 -17.724 0.491 1.00 0.00 C ATOM 85 O GLY A 1 -4.084 -18.485 1.397 1.00 0.00 O ATOM 0 H GLY A 1 -2.478 -16.678 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.645 -17.955 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.168 -16.287 0.790 1.00 0.00 H new ATOM 89 N SER A 2 -4.575 -17.231 -0.420 1.00 0.00 N ATOM 90 CA SER A 2 -5.988 -17.570 -0.410 1.00 0.00 C ATOM 91 C SER A 2 -6.743 -16.637 0.538 1.00 0.00 C ATOM 92 O SER A 2 -6.203 -16.214 1.559 1.00 0.00 O ATOM 93 CB SER A 2 -6.201 -19.029 -0.001 1.00 0.00 C ATOM 94 OG SER A 2 -7.283 -19.629 -0.708 1.00 0.00 O ATOM 0 H SER A 2 -4.293 -16.599 -1.170 1.00 0.00 H new ATOM 0 HA SER A 2 -6.378 -17.444 -1.420 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.288 -19.595 -0.187 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.395 -19.081 1.070 1.00 0.00 H new ATOM 0 HG SER A 2 -7.386 -20.560 -0.420 1.00 0.00 H new ATOM 100 N ALA A 3 -7.980 -16.343 0.166 1.00 0.00 N ATOM 101 CA ALA A 3 -8.815 -15.467 0.971 1.00 0.00 C ATOM 102 C ALA A 3 -9.238 -16.202 2.245 1.00 0.00 C ATOM 103 O ALA A 3 -10.426 -16.424 2.472 1.00 0.00 O ATOM 104 CB ALA A 3 -10.014 -15.001 0.142 1.00 0.00 C ATOM 0 H ALA A 3 -8.424 -16.696 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.261 -14.578 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -10.640 -14.344 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.661 -14.460 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.596 -15.867 -0.175 1.00 0.00 H new ATOM 110 N LYS A 4 -8.242 -16.559 3.042 1.00 0.00 N ATOM 111 CA LYS A 4 -8.496 -17.264 4.287 1.00 0.00 C ATOM 112 C LYS A 4 -7.749 -16.565 5.425 1.00 0.00 C ATOM 113 O LYS A 4 -7.667 -17.091 6.534 1.00 0.00 O ATOM 114 CB LYS A 4 -8.149 -18.747 4.143 1.00 0.00 C ATOM 115 CG LYS A 4 -9.118 -19.446 3.187 1.00 0.00 C ATOM 116 CD LYS A 4 -9.273 -20.925 3.548 1.00 0.00 C ATOM 117 CE LYS A 4 -8.475 -21.810 2.589 1.00 0.00 C ATOM 118 NZ LYS A 4 -9.279 -22.129 1.388 1.00 0.00 N ATOM 0 H LYS A 4 -7.258 -16.373 2.850 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.557 -17.231 4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.129 -18.851 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.185 -19.229 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.090 -18.955 3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.755 -19.354 2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.933 -21.091 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.326 -21.203 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.557 -21.302 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.182 -22.731 3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.723 -22.730 0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.143 -22.633 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.537 -21.248 0.899 1.00 0.00 H new ATOM 132 N LYS A 5 -7.223 -15.390 5.112 1.00 0.00 N ATOM 133 CA LYS A 5 -6.485 -14.614 6.094 1.00 0.00 C ATOM 134 C LYS A 5 -6.062 -13.282 5.472 1.00 0.00 C ATOM 135 O LYS A 5 -4.937 -12.827 5.675 1.00 0.00 O ATOM 136 CB LYS A 5 -5.318 -15.429 6.654 1.00 0.00 C ATOM 137 CG LYS A 5 -4.502 -14.605 7.651 1.00 0.00 C ATOM 138 CD LYS A 5 -4.201 -15.412 8.915 1.00 0.00 C ATOM 139 CE LYS A 5 -2.699 -15.437 9.206 1.00 0.00 C ATOM 140 NZ LYS A 5 -2.386 -16.463 10.226 1.00 0.00 N ATOM 0 H LYS A 5 -7.293 -14.956 4.192 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.119 -14.380 6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.698 -16.326 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.675 -15.759 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.568 -14.288 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.050 -13.701 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.732 -14.978 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.569 -16.431 8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.148 -15.647 8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.374 -14.457 9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.363 -16.467 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.897 -16.245 11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.678 -17.399 9.878 1.00 0.00 H new ATOM 154 N GLY A 6 -6.986 -12.693 4.727 1.00 0.00 N ATOM 155 CA GLY A 6 -6.723 -11.422 4.074 1.00 0.00 C ATOM 156 C GLY A 6 -7.623 -10.320 4.635 1.00 0.00 C ATOM 157 O GLY A 6 -7.134 -9.310 5.139 1.00 0.00 O ATOM 0 H GLY A 6 -7.918 -13.073 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.677 -11.148 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.888 -11.520 3.001 1.00 0.00 H new ATOM 161 N ALA A 7 -8.923 -10.552 4.530 1.00 0.00 N ATOM 162 CA ALA A 7 -9.897 -9.592 5.022 1.00 0.00 C ATOM 163 C ALA A 7 -9.474 -9.108 6.411 1.00 0.00 C ATOM 164 O ALA A 7 -9.114 -7.945 6.584 1.00 0.00 O ATOM 165 CB ALA A 7 -11.287 -10.230 5.025 1.00 0.00 C ATOM 0 H ALA A 7 -9.325 -11.391 4.111 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.940 -8.721 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.017 -9.510 5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.552 -10.529 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.283 -11.107 5.672 1.00 0.00 H new ATOM 171 N THR A 8 -9.531 -10.027 7.364 1.00 0.00 N ATOM 172 CA THR A 8 -9.158 -9.709 8.732 1.00 0.00 C ATOM 173 C THR A 8 -7.843 -8.928 8.759 1.00 0.00 C ATOM 174 O THR A 8 -7.621 -8.108 9.649 1.00 0.00 O ATOM 175 CB THR A 8 -9.104 -11.017 9.524 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.227 -10.940 10.398 1.00 0.00 O ATOM 177 CG2 THR A 8 -7.901 -11.081 10.467 1.00 0.00 C ATOM 0 H THR A 8 -9.830 -10.991 7.216 1.00 0.00 H new ATOM 0 HA THR A 8 -9.896 -9.058 9.201 1.00 0.00 H new ATOM 0 HB THR A 8 -9.068 -11.859 8.833 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.269 -11.750 10.948 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.910 -12.029 11.005 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.981 -11.001 9.889 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.954 -10.259 11.181 1.00 0.00 H new ATOM 185 N LEU A 9 -7.004 -9.209 7.772 1.00 0.00 N ATOM 186 CA LEU A 9 -5.717 -8.543 7.671 1.00 0.00 C ATOM 187 C LEU A 9 -5.936 -7.068 7.329 1.00 0.00 C ATOM 188 O LEU A 9 -5.809 -6.201 8.192 1.00 0.00 O ATOM 189 CB LEU A 9 -4.811 -9.276 6.680 1.00 0.00 C ATOM 190 CG LEU A 9 -3.326 -9.334 7.045 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.773 -10.750 6.870 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.525 -8.303 6.249 1.00 0.00 C ATOM 0 H LEU A 9 -7.191 -9.889 7.035 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.196 -8.575 8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.178 -10.296 6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.907 -8.795 5.706 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.223 -9.077 8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.716 -10.763 7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.319 -11.436 7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.890 -11.060 5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.473 -8.366 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.631 -8.504 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.900 -7.303 6.468 1.00 0.00 H new ATOM 204 N PHE A 10 -6.262 -6.828 6.067 1.00 0.00 N ATOM 205 CA PHE A 10 -6.500 -5.473 5.600 1.00 0.00 C ATOM 206 C PHE A 10 -7.349 -4.689 6.602 1.00 0.00 C ATOM 207 O PHE A 10 -7.293 -3.461 6.642 1.00 0.00 O ATOM 208 CB PHE A 10 -7.263 -5.583 4.279 1.00 0.00 C ATOM 209 CG PHE A 10 -7.448 -4.248 3.554 1.00 0.00 C ATOM 210 CD1 PHE A 10 -6.393 -3.663 2.926 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.668 -3.647 3.537 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.564 -2.425 2.254 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.839 -2.408 2.865 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.784 -1.823 2.237 1.00 0.00 C ATOM 0 H PHE A 10 -6.367 -7.549 5.354 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.552 -4.949 5.480 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.733 -6.272 3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.243 -6.018 4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.425 -4.141 2.939 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.506 -4.112 4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.726 -1.961 1.756 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.807 -1.930 2.853 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.915 -0.881 1.725 1.00 0.00 H new ATOM 224 N LYS A 11 -8.116 -5.431 7.388 1.00 0.00 N ATOM 225 CA LYS A 11 -8.976 -4.821 8.387 1.00 0.00 C ATOM 226 C LYS A 11 -8.119 -4.304 9.544 1.00 0.00 C ATOM 227 O LYS A 11 -8.314 -3.184 10.014 1.00 0.00 O ATOM 228 CB LYS A 11 -10.071 -5.798 8.821 1.00 0.00 C ATOM 229 CG LYS A 11 -11.375 -5.059 9.129 1.00 0.00 C ATOM 230 CD LYS A 11 -12.430 -6.018 9.684 1.00 0.00 C ATOM 231 CE LYS A 11 -12.208 -6.274 11.176 1.00 0.00 C ATOM 232 NZ LYS A 11 -12.154 -7.727 11.451 1.00 0.00 N ATOM 0 H LYS A 11 -8.159 -6.449 7.353 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.497 -3.961 7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.242 -6.532 8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.744 -6.348 9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.185 -4.264 9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.751 -4.584 8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.425 -5.600 9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.391 -6.962 9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.279 -5.802 11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.013 -5.819 11.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.003 -7.882 12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.050 -8.168 11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.371 -8.153 10.916 1.00 0.00 H new ATOM 246 N THR A 12 -7.188 -5.145 9.970 1.00 0.00 N ATOM 247 CA THR A 12 -6.300 -4.787 11.064 1.00 0.00 C ATOM 248 C THR A 12 -4.865 -4.632 10.556 1.00 0.00 C ATOM 249 O THR A 12 -4.333 -5.529 9.905 1.00 0.00 O ATOM 250 CB THR A 12 -6.447 -5.847 12.158 1.00 0.00 C ATOM 251 OG1 THR A 12 -7.245 -5.211 13.152 1.00 0.00 O ATOM 252 CG2 THR A 12 -5.125 -6.138 12.871 1.00 0.00 C ATOM 0 H THR A 12 -7.029 -6.073 9.578 1.00 0.00 H new ATOM 0 HA THR A 12 -6.567 -3.820 11.491 1.00 0.00 H new ATOM 0 HB THR A 12 -6.835 -6.768 11.722 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.391 -5.829 13.899 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.284 -6.896 13.637 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.394 -6.500 12.148 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.754 -5.225 13.336 1.00 0.00 H new ATOM 260 N ARG A 13 -4.280 -3.486 10.874 1.00 0.00 N ATOM 261 CA ARG A 13 -2.917 -3.201 10.458 1.00 0.00 C ATOM 262 C ARG A 13 -2.899 -2.674 9.022 1.00 0.00 C ATOM 263 O ARG A 13 -1.884 -2.770 8.335 1.00 0.00 O ATOM 264 CB ARG A 13 -2.042 -4.453 10.545 1.00 0.00 C ATOM 265 CG ARG A 13 -2.238 -5.167 11.884 1.00 0.00 C ATOM 266 CD ARG A 13 -1.086 -4.861 12.843 1.00 0.00 C ATOM 267 NE ARG A 13 -0.638 -6.103 13.510 1.00 0.00 N ATOM 268 CZ ARG A 13 -0.065 -7.134 12.873 1.00 0.00 C ATOM 269 NH1 ARG A 13 0.133 -7.076 11.549 1.00 0.00 N ATOM 270 NH2 ARG A 13 0.309 -8.222 13.560 1.00 0.00 N ATOM 0 H ARG A 13 -4.725 -2.744 11.415 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.516 -2.443 11.132 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.289 -5.131 9.728 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.994 -4.178 10.426 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.181 -4.855 12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.304 -6.243 11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.256 -4.413 12.296 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.406 -4.133 13.589 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.774 -6.180 14.518 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.152 -6.248 11.026 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.569 -7.860 11.064 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.158 -8.266 14.568 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.745 -9.006 13.075 1.00 0.00 H new ATOM 284 N CYS A 14 -4.035 -2.128 8.612 1.00 0.00 N ATOM 285 CA CYS A 14 -4.162 -1.585 7.270 1.00 0.00 C ATOM 286 C CYS A 14 -5.332 -0.598 7.261 1.00 0.00 C ATOM 287 O CYS A 14 -5.131 0.606 7.109 1.00 0.00 O ATOM 288 CB CYS A 14 -4.340 -2.690 6.227 1.00 0.00 C ATOM 289 SG CYS A 14 -2.830 -3.662 5.874 1.00 0.00 S ATOM 0 H CYS A 14 -4.875 -2.050 9.185 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.245 -1.063 6.997 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.121 -3.369 6.568 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.691 -2.241 5.298 1.00 0.00 H new ATOM 294 N LEU A 15 -6.527 -1.145 7.425 1.00 0.00 N ATOM 295 CA LEU A 15 -7.729 -0.328 7.437 1.00 0.00 C ATOM 296 C LEU A 15 -7.492 0.907 8.309 1.00 0.00 C ATOM 297 O LEU A 15 -8.000 1.987 8.014 1.00 0.00 O ATOM 298 CB LEU A 15 -8.939 -1.160 7.865 1.00 0.00 C ATOM 299 CG LEU A 15 -10.102 -1.213 6.872 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.635 -1.727 5.508 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.262 -2.039 7.430 1.00 0.00 C ATOM 0 H LEU A 15 -6.689 -2.144 7.551 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.957 0.029 6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.604 -2.179 8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.312 -0.764 8.810 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.472 -0.198 6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.481 -1.755 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.867 -1.062 5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.224 -2.730 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.075 -2.061 6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.923 -3.056 7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.615 -1.590 8.358 1.00 0.00 H new ATOM 313 N GLN A 16 -6.719 0.705 9.367 1.00 0.00 N ATOM 314 CA GLN A 16 -6.409 1.789 10.284 1.00 0.00 C ATOM 315 C GLN A 16 -6.012 3.045 9.507 1.00 0.00 C ATOM 316 O GLN A 16 -6.163 4.160 10.003 1.00 0.00 O ATOM 317 CB GLN A 16 -5.308 1.379 11.264 1.00 0.00 C ATOM 318 CG GLN A 16 -3.966 1.222 10.546 1.00 0.00 C ATOM 319 CD GLN A 16 -2.859 0.836 11.530 1.00 0.00 C ATOM 320 OE1 GLN A 16 -2.287 -0.240 11.470 1.00 0.00 O ATOM 321 NE2 GLN A 16 -2.591 1.772 12.435 1.00 0.00 N ATOM 0 H GLN A 16 -6.299 -0.192 9.609 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.303 2.014 10.866 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.218 2.129 12.050 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.578 0.440 11.748 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.051 0.460 9.771 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.705 2.155 10.047 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.108 2.651 12.428 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.868 1.611 13.136 1.00 0.00 H new ATOM 330 N CYS A 17 -5.512 2.822 8.300 1.00 0.00 N ATOM 331 CA CYS A 17 -5.092 3.923 7.449 1.00 0.00 C ATOM 332 C CYS A 17 -6.002 3.954 6.220 1.00 0.00 C ATOM 333 O CYS A 17 -6.725 4.886 5.857 1.00 0.00 O ATOM 334 CB CYS A 17 -3.616 3.809 7.064 1.00 0.00 C ATOM 335 SG CYS A 17 -2.444 3.972 8.460 1.00 0.00 S ATOM 0 H CYS A 17 -5.388 1.896 7.891 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.186 4.863 7.993 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.454 2.845 6.583 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.388 4.577 6.325 1.00 0.00 H new ATOM 340 N HIS A 18 -5.990 2.803 5.456 1.00 0.00 N ATOM 341 CA HIS A 18 -6.492 2.742 4.069 1.00 0.00 C ATOM 342 C HIS A 18 -7.861 2.098 3.906 1.00 0.00 C ATOM 343 O HIS A 18 -8.370 1.329 4.721 1.00 0.00 O ATOM 344 CB HIS A 18 -5.578 1.859 3.208 1.00 0.00 C ATOM 345 CG HIS A 18 -4.128 2.200 2.994 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.706 3.038 2.025 1.00 0.00 N ATOM 347 CD2 HIS A 18 -2.996 1.725 3.628 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.460 3.128 2.076 1.00 0.00 C ATOM 349 NE2 HIS A 18 -1.929 2.304 3.030 1.00 0.00 N ATOM 0 H HIS A 18 -5.632 1.912 5.799 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.531 3.790 3.772 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.608 0.858 3.639 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.037 1.795 2.221 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.307 3.521 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.968 1.023 4.448 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.874 3.778 1.443 1.00 0.00 H new ATOM 357 N THR A 19 -8.438 2.483 2.777 1.00 0.00 N ATOM 358 CA THR A 19 -9.761 2.007 2.411 1.00 0.00 C ATOM 359 C THR A 19 -9.728 1.348 1.031 1.00 0.00 C ATOM 360 O THR A 19 -9.248 1.942 0.067 1.00 0.00 O ATOM 361 CB THR A 19 -10.730 3.187 2.498 1.00 0.00 C ATOM 362 OG1 THR A 19 -11.850 2.775 1.719 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.207 4.428 1.771 1.00 0.00 C ATOM 0 H THR A 19 -8.013 3.120 2.103 1.00 0.00 H new ATOM 0 HA THR A 19 -10.106 1.234 3.097 1.00 0.00 H new ATOM 0 HB THR A 19 -10.914 3.429 3.545 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.529 3.482 1.723 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.932 5.236 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.260 4.737 2.214 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.055 4.195 0.717 1.00 0.00 H new ATOM 371 N VAL A 20 -10.244 0.128 0.980 1.00 0.00 N ATOM 372 CA VAL A 20 -10.279 -0.618 -0.266 1.00 0.00 C ATOM 373 C VAL A 20 -11.484 -0.165 -1.093 1.00 0.00 C ATOM 374 O VAL A 20 -11.455 -0.221 -2.321 1.00 0.00 O ATOM 375 CB VAL A 20 -10.284 -2.120 0.023 1.00 0.00 C ATOM 376 CG1 VAL A 20 -11.484 -2.508 0.890 1.00 0.00 C ATOM 377 CG2 VAL A 20 -10.261 -2.929 -1.275 1.00 0.00 C ATOM 0 H VAL A 20 -10.641 -0.362 1.782 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.385 -0.417 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.378 -2.356 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.463 -3.581 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.438 -1.970 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.407 -2.249 0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.265 -3.993 -1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.140 -2.685 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.361 -2.685 -1.840 1.00 0.00 H new ATOM 387 N GLU A 21 -12.515 0.274 -0.386 1.00 0.00 N ATOM 388 CA GLU A 21 -13.728 0.737 -1.039 1.00 0.00 C ATOM 389 C GLU A 21 -13.384 1.711 -2.168 1.00 0.00 C ATOM 390 O GLU A 21 -12.219 2.050 -2.366 1.00 0.00 O ATOM 391 CB GLU A 21 -14.682 1.380 -0.031 1.00 0.00 C ATOM 392 CG GLU A 21 -14.812 0.520 1.227 1.00 0.00 C ATOM 393 CD GLU A 21 -16.110 0.834 1.974 1.00 0.00 C ATOM 394 OE1 GLU A 21 -17.127 1.050 1.279 1.00 0.00 O ATOM 395 OE2 GLU A 21 -16.057 0.850 3.223 1.00 0.00 O ATOM 0 H GLU A 21 -12.535 0.319 0.633 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.237 -0.125 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.318 2.372 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.663 1.514 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.791 -0.535 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.959 0.697 1.882 1.00 0.00 H new ATOM 402 N LYS A 22 -14.420 2.133 -2.878 1.00 0.00 N ATOM 403 CA LYS A 22 -14.243 3.061 -3.981 1.00 0.00 C ATOM 404 C LYS A 22 -14.521 4.484 -3.495 1.00 0.00 C ATOM 405 O LYS A 22 -13.623 5.325 -3.477 1.00 0.00 O ATOM 406 CB LYS A 22 -15.100 2.641 -5.177 1.00 0.00 C ATOM 407 CG LYS A 22 -14.462 3.091 -6.494 1.00 0.00 C ATOM 408 CD LYS A 22 -15.344 2.716 -7.686 1.00 0.00 C ATOM 409 CE LYS A 22 -15.364 1.202 -7.899 1.00 0.00 C ATOM 410 NZ LYS A 22 -14.422 0.817 -8.974 1.00 0.00 N ATOM 0 H LYS A 22 -15.385 1.849 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.212 3.041 -4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.222 1.558 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.096 3.074 -5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.307 4.170 -6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.481 2.629 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.359 3.077 -7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.974 3.208 -8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.095 0.695 -6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.372 0.879 -8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.806 0.004 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.292 1.618 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.505 0.558 -8.556 1.00 0.00 H new ATOM 424 N GLY A 23 -15.769 4.711 -3.112 1.00 0.00 N ATOM 425 CA GLY A 23 -16.177 6.019 -2.626 1.00 0.00 C ATOM 426 C GLY A 23 -15.679 6.253 -1.198 1.00 0.00 C ATOM 427 O GLY A 23 -16.474 6.507 -0.294 1.00 0.00 O ATOM 0 H GLY A 23 -16.511 4.012 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.784 6.794 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.264 6.099 -2.654 1.00 0.00 H new ATOM 431 N GLY A 24 -14.367 6.159 -1.040 1.00 0.00 N ATOM 432 CA GLY A 24 -13.755 6.358 0.262 1.00 0.00 C ATOM 433 C GLY A 24 -12.771 7.529 0.233 1.00 0.00 C ATOM 434 O GLY A 24 -11.957 7.638 -0.683 1.00 0.00 O ATOM 0 H GLY A 24 -13.711 5.948 -1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.529 6.547 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.235 5.449 0.566 1.00 0.00 H new ATOM 438 N PRO A 25 -12.880 8.398 1.273 1.00 0.00 N ATOM 439 CA PRO A 25 -12.010 9.557 1.374 1.00 0.00 C ATOM 440 C PRO A 25 -10.603 9.149 1.818 1.00 0.00 C ATOM 441 O PRO A 25 -10.363 7.987 2.140 1.00 0.00 O ATOM 442 CB PRO A 25 -12.700 10.482 2.364 1.00 0.00 C ATOM 443 CG PRO A 25 -13.685 9.613 3.129 1.00 0.00 C ATOM 444 CD PRO A 25 -13.832 8.301 2.376 1.00 0.00 C ATOM 0 HA PRO A 25 -11.863 10.058 0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.977 10.941 3.039 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.214 11.293 1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.328 9.433 4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.649 10.114 3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.609 7.449 3.018 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.850 8.166 2.010 1.00 0.00 H new ATOM 452 N HIS A 26 -9.711 10.129 1.820 1.00 0.00 N ATOM 453 CA HIS A 26 -8.335 9.887 2.219 1.00 0.00 C ATOM 454 C HIS A 26 -8.187 10.122 3.723 1.00 0.00 C ATOM 455 O HIS A 26 -8.867 10.976 4.291 1.00 0.00 O ATOM 456 CB HIS A 26 -7.371 10.737 1.388 1.00 0.00 C ATOM 457 CG HIS A 26 -7.607 10.655 -0.101 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.765 9.454 -0.770 1.00 0.00 N ATOM 459 CD2 HIS A 26 -7.711 11.636 -1.042 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.954 9.712 -2.055 1.00 0.00 C ATOM 461 NE2 HIS A 26 -7.920 11.066 -2.222 1.00 0.00 N ATOM 0 H HIS A 26 -9.914 11.092 1.552 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.073 8.847 2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.457 11.777 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.349 10.423 1.601 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.636 12.698 -0.858 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -8.108 8.980 -2.834 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.036 11.559 -3.108 1.00 0.00 H new ATOM 469 N LYS A 27 -7.295 9.350 4.326 1.00 0.00 N ATOM 470 CA LYS A 27 -7.050 9.464 5.754 1.00 0.00 C ATOM 471 C LYS A 27 -5.542 9.443 6.011 1.00 0.00 C ATOM 472 O LYS A 27 -4.885 10.482 5.959 1.00 0.00 O ATOM 473 CB LYS A 27 -7.819 8.384 6.517 1.00 0.00 C ATOM 474 CG LYS A 27 -9.076 8.964 7.169 1.00 0.00 C ATOM 475 CD LYS A 27 -10.065 7.855 7.535 1.00 0.00 C ATOM 476 CE LYS A 27 -10.321 7.825 9.043 1.00 0.00 C ATOM 477 NZ LYS A 27 -11.764 7.655 9.321 1.00 0.00 N ATOM 0 H LYS A 27 -6.733 8.643 3.852 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.425 10.416 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.096 7.580 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.177 7.947 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.801 9.521 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.551 9.670 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.005 8.012 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.673 6.891 7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.759 7.009 9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.964 8.749 9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.920 7.637 10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.293 8.447 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.095 6.761 8.905 1.00 0.00 H new ATOM 491 N VAL A 28 -5.037 8.249 6.282 1.00 0.00 N ATOM 492 CA VAL A 28 -3.618 8.079 6.547 1.00 0.00 C ATOM 493 C VAL A 28 -2.920 7.597 5.274 1.00 0.00 C ATOM 494 O VAL A 28 -1.739 7.875 5.066 1.00 0.00 O ATOM 495 CB VAL A 28 -3.417 7.133 7.733 1.00 0.00 C ATOM 496 CG1 VAL A 28 -1.929 6.933 8.029 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.159 7.641 8.971 1.00 0.00 C ATOM 0 H VAL A 28 -5.585 7.390 6.324 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.165 9.030 6.826 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.838 6.164 7.464 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.814 6.257 8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.438 6.506 7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.473 7.894 8.268 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.000 6.951 9.799 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.781 8.627 9.242 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.225 7.708 8.754 1.00 0.00 H new ATOM 507 N GLY A 29 -3.678 6.884 4.454 1.00 0.00 N ATOM 508 CA GLY A 29 -3.147 6.362 3.207 1.00 0.00 C ATOM 509 C GLY A 29 -4.148 6.546 2.065 1.00 0.00 C ATOM 510 O GLY A 29 -5.355 6.603 2.295 1.00 0.00 O ATOM 0 H GLY A 29 -4.657 6.656 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.214 6.871 2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.912 5.304 3.322 1.00 0.00 H new ATOM 514 N PRO A 30 -3.595 6.637 0.825 1.00 0.00 N ATOM 515 CA PRO A 30 -4.426 6.814 -0.354 1.00 0.00 C ATOM 516 C PRO A 30 -5.133 5.509 -0.727 1.00 0.00 C ATOM 517 O PRO A 30 -4.551 4.431 -0.620 1.00 0.00 O ATOM 518 CB PRO A 30 -3.477 7.305 -1.434 1.00 0.00 C ATOM 519 CG PRO A 30 -2.080 6.943 -0.957 1.00 0.00 C ATOM 520 CD PRO A 30 -2.170 6.574 0.514 1.00 0.00 C ATOM 0 HA PRO A 30 -5.233 7.530 -0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.697 6.833 -2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.574 8.381 -1.579 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.683 6.109 -1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.399 7.782 -1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.768 5.578 0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.599 7.267 1.132 1.00 0.00 H new ATOM 528 N ASN A 31 -6.379 5.650 -1.156 1.00 0.00 N ATOM 529 CA ASN A 31 -7.171 4.497 -1.546 1.00 0.00 C ATOM 530 C ASN A 31 -6.362 3.631 -2.514 1.00 0.00 C ATOM 531 O ASN A 31 -5.710 4.150 -3.419 1.00 0.00 O ATOM 532 CB ASN A 31 -8.457 4.926 -2.256 1.00 0.00 C ATOM 533 CG ASN A 31 -9.652 4.103 -1.770 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.779 2.922 -2.046 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.519 4.792 -1.033 1.00 0.00 N ATOM 0 H ASN A 31 -6.859 6.546 -1.242 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.426 3.942 -0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.642 5.985 -2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.340 4.804 -3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.351 4.333 -0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.352 5.779 -0.839 1.00 0.00 H new ATOM 542 N LEU A 32 -6.432 2.327 -2.292 1.00 0.00 N ATOM 543 CA LEU A 32 -5.714 1.385 -3.133 1.00 0.00 C ATOM 544 C LEU A 32 -6.695 0.725 -4.104 1.00 0.00 C ATOM 545 O LEU A 32 -6.411 -0.340 -4.651 1.00 0.00 O ATOM 546 CB LEU A 32 -4.932 0.388 -2.275 1.00 0.00 C ATOM 547 CG LEU A 32 -4.091 0.988 -1.148 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.814 -0.049 -0.058 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.801 1.603 -1.694 1.00 0.00 C ATOM 0 H LEU A 32 -6.975 1.900 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.969 1.904 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.639 -0.317 -1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.273 -0.184 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.663 1.794 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.214 0.404 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.758 -0.399 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.272 -0.892 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.222 2.023 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.215 0.833 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.047 2.392 -2.405 1.00 0.00 H new ATOM 561 N HIS A 33 -7.830 1.384 -4.287 1.00 0.00 N ATOM 562 CA HIS A 33 -8.855 0.874 -5.183 1.00 0.00 C ATOM 563 C HIS A 33 -8.522 1.271 -6.622 1.00 0.00 C ATOM 564 O HIS A 33 -9.293 1.978 -7.269 1.00 0.00 O ATOM 565 CB HIS A 33 -10.243 1.344 -4.743 1.00 0.00 C ATOM 566 CG HIS A 33 -11.378 0.713 -5.514 1.00 0.00 C ATOM 567 ND1 HIS A 33 -12.168 -0.296 -4.992 1.00 0.00 N ATOM 568 CD2 HIS A 33 -11.847 0.958 -6.771 1.00 0.00 C ATOM 569 CE1 HIS A 33 -13.068 -0.636 -5.902 1.00 0.00 C ATOM 570 NE2 HIS A 33 -12.867 0.142 -7.005 1.00 0.00 N ATOM 0 H HIS A 33 -8.063 2.266 -3.831 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.874 -0.215 -5.139 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.371 1.124 -3.683 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -10.300 2.427 -4.853 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -12.073 -0.708 -4.064 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.455 1.692 -7.459 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.828 -1.396 -5.791 1.00 0.00 H new ATOM 578 N GLY A 34 -7.373 0.798 -7.082 1.00 0.00 N ATOM 579 CA GLY A 34 -6.929 1.095 -8.433 1.00 0.00 C ATOM 580 C GLY A 34 -5.401 1.108 -8.518 1.00 0.00 C ATOM 581 O GLY A 34 -4.814 2.040 -9.064 1.00 0.00 O ATOM 0 H GLY A 34 -6.736 0.211 -6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.329 0.352 -9.123 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.322 2.063 -8.744 1.00 0.00 H new ATOM 585 N ILE A 35 -4.801 0.061 -7.970 1.00 0.00 N ATOM 586 CA ILE A 35 -3.353 -0.059 -7.976 1.00 0.00 C ATOM 587 C ILE A 35 -2.953 -1.298 -8.779 1.00 0.00 C ATOM 588 O ILE A 35 -3.750 -1.824 -9.555 1.00 0.00 O ATOM 589 CB ILE A 35 -2.808 -0.050 -6.547 1.00 0.00 C ATOM 590 CG1 ILE A 35 -3.361 -1.228 -5.742 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.084 1.291 -5.863 1.00 0.00 C ATOM 592 CD1 ILE A 35 -2.581 -2.510 -6.041 1.00 0.00 C ATOM 0 H ILE A 35 -5.291 -0.711 -7.519 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.901 0.802 -8.469 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.726 -0.171 -6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.305 -1.004 -4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.414 -1.374 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.686 1.271 -4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.603 2.092 -6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.159 1.467 -5.828 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.994 -3.332 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.660 -2.745 -7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.533 -2.368 -5.778 1.00 0.00 H new ATOM 604 N PHE A 36 -1.718 -1.729 -8.566 1.00 0.00 N ATOM 605 CA PHE A 36 -1.203 -2.897 -9.260 1.00 0.00 C ATOM 606 C PHE A 36 -1.266 -2.705 -10.776 1.00 0.00 C ATOM 607 O PHE A 36 -2.349 -2.680 -11.358 1.00 0.00 O ATOM 608 CB PHE A 36 -2.092 -4.079 -8.870 1.00 0.00 C ATOM 609 CG PHE A 36 -1.647 -4.799 -7.595 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.325 -5.019 -7.365 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.573 -5.220 -6.693 1.00 0.00 C ATOM 612 CE1 PHE A 36 0.089 -5.688 -6.183 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.160 -5.888 -5.510 1.00 0.00 C ATOM 614 CZ PHE A 36 -0.837 -6.108 -5.280 1.00 0.00 C ATOM 0 H PHE A 36 -1.059 -1.290 -7.923 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.162 -3.064 -8.984 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.114 -3.723 -8.736 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.109 -4.795 -9.692 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.410 -4.685 -8.082 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.623 -5.046 -6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.139 -5.863 -6.001 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.896 -6.221 -4.793 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.522 -6.616 -4.380 1.00 0.00 H new ATOM 624 N GLY A 37 -0.090 -2.575 -11.374 1.00 0.00 N ATOM 625 CA GLY A 37 0.002 -2.387 -12.811 1.00 0.00 C ATOM 626 C GLY A 37 0.242 -0.916 -13.157 1.00 0.00 C ATOM 627 O GLY A 37 0.312 -0.554 -14.331 1.00 0.00 O ATOM 0 H GLY A 37 0.807 -2.596 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.814 -2.995 -13.210 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.917 -2.731 -13.286 1.00 0.00 H new ATOM 631 N ARG A 38 0.362 -0.108 -12.114 1.00 0.00 N ATOM 632 CA ARG A 38 0.593 1.316 -12.293 1.00 0.00 C ATOM 633 C ARG A 38 1.925 1.721 -11.657 1.00 0.00 C ATOM 634 O ARG A 38 2.709 0.865 -11.252 1.00 0.00 O ATOM 635 CB ARG A 38 -0.534 2.139 -11.667 1.00 0.00 C ATOM 636 CG ARG A 38 -1.505 2.642 -12.737 1.00 0.00 C ATOM 637 CD ARG A 38 -0.832 3.669 -13.650 1.00 0.00 C ATOM 638 NE ARG A 38 -1.740 4.032 -14.761 1.00 0.00 N ATOM 639 CZ ARG A 38 -2.680 4.984 -14.683 1.00 0.00 C ATOM 640 NH1 ARG A 38 -2.840 5.675 -13.546 1.00 0.00 N ATOM 641 NH2 ARG A 38 -3.459 5.245 -15.741 1.00 0.00 N ATOM 0 H ARG A 38 0.304 -0.412 -11.142 1.00 0.00 H new ATOM 0 HA ARG A 38 0.622 1.516 -13.364 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.072 1.531 -10.939 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.113 2.986 -11.126 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.864 1.802 -13.331 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.377 3.090 -12.260 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.570 4.559 -13.078 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.097 3.260 -14.048 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.644 3.526 -15.641 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.247 5.476 -12.741 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.555 6.400 -13.486 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.337 4.719 -16.606 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.174 5.970 -15.681 1.00 0.00 H new ATOM 655 N HIS A 39 2.139 3.027 -11.591 1.00 0.00 N ATOM 656 CA HIS A 39 3.362 3.556 -11.012 1.00 0.00 C ATOM 657 C HIS A 39 3.027 4.373 -9.763 1.00 0.00 C ATOM 658 O HIS A 39 1.961 4.981 -9.681 1.00 0.00 O ATOM 659 CB HIS A 39 4.152 4.357 -12.050 1.00 0.00 C ATOM 660 CG HIS A 39 5.268 3.580 -12.706 1.00 0.00 C ATOM 661 ND1 HIS A 39 5.559 3.681 -14.055 1.00 0.00 N ATOM 662 CD2 HIS A 39 6.161 2.691 -12.184 1.00 0.00 C ATOM 663 CE1 HIS A 39 6.582 2.883 -14.323 1.00 0.00 C ATOM 664 NE2 HIS A 39 6.953 2.270 -13.162 1.00 0.00 N ATOM 0 H HIS A 39 1.486 3.734 -11.929 1.00 0.00 H new ATOM 0 HA HIS A 39 4.008 2.734 -10.704 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.466 4.709 -12.821 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.572 5.240 -11.569 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.214 2.382 -11.150 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.041 2.742 -15.290 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.714 1.598 -13.062 1.00 0.00 H new ATOM 672 N SER A 40 3.957 4.360 -8.819 1.00 0.00 N ATOM 673 CA SER A 40 3.774 5.091 -7.577 1.00 0.00 C ATOM 674 C SER A 40 2.998 6.383 -7.841 1.00 0.00 C ATOM 675 O SER A 40 3.354 7.155 -8.730 1.00 0.00 O ATOM 676 CB SER A 40 5.119 5.405 -6.919 1.00 0.00 C ATOM 677 OG SER A 40 5.889 6.323 -7.690 1.00 0.00 O ATOM 0 H SER A 40 4.840 3.854 -8.890 1.00 0.00 H new ATOM 0 HA SER A 40 3.203 4.464 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.949 5.820 -5.926 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.682 4.481 -6.786 1.00 0.00 H new ATOM 0 HG SER A 40 5.301 6.803 -8.310 1.00 0.00 H new ATOM 683 N GLY A 41 1.951 6.578 -7.052 1.00 0.00 N ATOM 684 CA GLY A 41 1.122 7.763 -7.189 1.00 0.00 C ATOM 685 C GLY A 41 -0.052 7.504 -8.135 1.00 0.00 C ATOM 686 O GLY A 41 0.103 7.566 -9.353 1.00 0.00 O ATOM 0 H GLY A 41 1.658 5.935 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.746 8.063 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.723 8.590 -7.567 1.00 0.00 H new ATOM 690 N GLN A 42 -1.201 7.220 -7.538 1.00 0.00 N ATOM 691 CA GLN A 42 -2.400 6.952 -8.312 1.00 0.00 C ATOM 692 C GLN A 42 -3.614 7.615 -7.658 1.00 0.00 C ATOM 693 O GLN A 42 -4.743 7.160 -7.831 1.00 0.00 O ATOM 694 CB GLN A 42 -2.621 5.447 -8.477 1.00 0.00 C ATOM 695 CG GLN A 42 -1.427 4.791 -9.174 1.00 0.00 C ATOM 696 CD GLN A 42 -1.650 3.287 -9.343 1.00 0.00 C ATOM 697 OE1 GLN A 42 -2.681 2.834 -9.813 1.00 0.00 O ATOM 698 NE2 GLN A 42 -0.628 2.540 -8.934 1.00 0.00 N ATOM 0 H GLN A 42 -1.326 7.170 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.269 7.379 -9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.773 4.989 -7.500 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.527 5.270 -9.056 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.273 5.251 -10.150 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.521 4.965 -8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.206 2.984 -8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.679 1.524 -9.004 1.00 0.00 H new ATOM 707 N ALA A 43 -3.339 8.681 -6.920 1.00 0.00 N ATOM 708 CA ALA A 43 -4.395 9.411 -6.238 1.00 0.00 C ATOM 709 C ALA A 43 -4.524 10.806 -6.855 1.00 0.00 C ATOM 710 O ALA A 43 -3.526 11.502 -7.039 1.00 0.00 O ATOM 711 CB ALA A 43 -4.095 9.463 -4.739 1.00 0.00 C ATOM 0 H ALA A 43 -2.401 9.056 -6.779 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.352 8.905 -6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.887 10.010 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.041 8.449 -4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.142 9.967 -4.576 1.00 0.00 H new ATOM 717 N GLU A 44 -5.760 11.172 -7.158 1.00 0.00 N ATOM 718 CA GLU A 44 -6.033 12.470 -7.750 1.00 0.00 C ATOM 719 C GLU A 44 -6.685 13.397 -6.722 1.00 0.00 C ATOM 720 O GLU A 44 -7.871 13.706 -6.823 1.00 0.00 O ATOM 721 CB GLU A 44 -6.909 12.332 -8.996 1.00 0.00 C ATOM 722 CG GLU A 44 -6.070 12.439 -10.271 1.00 0.00 C ATOM 723 CD GLU A 44 -5.721 13.897 -10.578 1.00 0.00 C ATOM 724 OE1 GLU A 44 -4.952 14.476 -9.780 1.00 0.00 O ATOM 725 OE2 GLU A 44 -6.232 14.399 -11.602 1.00 0.00 O ATOM 0 H GLU A 44 -6.585 10.592 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.086 12.912 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.427 11.373 -8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.675 13.108 -8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.154 11.858 -10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.619 12.009 -11.109 1.00 0.00 H new ATOM 732 N GLY A 45 -5.881 13.814 -5.755 1.00 0.00 N ATOM 733 CA GLY A 45 -6.365 14.698 -4.708 1.00 0.00 C ATOM 734 C GLY A 45 -5.530 14.549 -3.435 1.00 0.00 C ATOM 735 O GLY A 45 -5.275 15.529 -2.737 1.00 0.00 O ATOM 0 H GLY A 45 -4.897 13.556 -5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.327 15.731 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.409 14.473 -4.491 1.00 0.00 H new ATOM 739 N TYR A 46 -5.129 13.314 -3.170 1.00 0.00 N ATOM 740 CA TYR A 46 -4.329 13.024 -1.992 1.00 0.00 C ATOM 741 C TYR A 46 -2.919 13.599 -2.132 1.00 0.00 C ATOM 742 O TYR A 46 -2.253 13.381 -3.143 1.00 0.00 O ATOM 743 CB TYR A 46 -4.239 11.499 -1.909 1.00 0.00 C ATOM 744 CG TYR A 46 -3.805 10.975 -0.539 1.00 0.00 C ATOM 745 CD1 TYR A 46 -2.638 11.432 0.037 1.00 0.00 C ATOM 746 CD2 TYR A 46 -4.582 10.044 0.122 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.230 10.939 1.327 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.173 9.550 1.411 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.017 10.022 1.950 1.00 0.00 C ATOM 750 OH TYR A 46 -2.632 9.556 3.169 1.00 0.00 O ATOM 0 H TYR A 46 -5.343 12.503 -3.751 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.780 13.465 -1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.211 11.074 -2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.534 11.145 -2.662 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.030 12.160 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.496 9.687 -0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.319 11.290 1.789 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.771 8.821 1.938 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.238 9.901 3.857 1.00 0.00 H new ATOM 760 N SER A 47 -2.505 14.323 -1.102 1.00 0.00 N ATOM 761 CA SER A 47 -1.186 14.932 -1.097 1.00 0.00 C ATOM 762 C SER A 47 -0.118 13.866 -0.839 1.00 0.00 C ATOM 763 O SER A 47 -0.132 13.209 0.201 1.00 0.00 O ATOM 764 CB SER A 47 -1.094 16.040 -0.047 1.00 0.00 C ATOM 765 OG SER A 47 -1.619 15.628 1.212 1.00 0.00 O ATOM 0 H SER A 47 -3.060 14.501 -0.265 1.00 0.00 H new ATOM 0 HA SER A 47 -1.014 15.381 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.053 16.338 0.075 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.638 16.917 -0.397 1.00 0.00 H new ATOM 0 HG SER A 47 -1.357 14.700 1.388 1.00 0.00 H new ATOM 771 N TYR A 48 0.780 13.729 -1.803 1.00 0.00 N ATOM 772 CA TYR A 48 1.852 12.754 -1.692 1.00 0.00 C ATOM 773 C TYR A 48 3.159 13.423 -1.261 1.00 0.00 C ATOM 774 O TYR A 48 3.206 14.637 -1.073 1.00 0.00 O ATOM 775 CB TYR A 48 2.033 12.165 -3.093 1.00 0.00 C ATOM 776 CG TYR A 48 1.208 10.903 -3.349 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.167 10.943 -3.239 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.838 9.723 -3.690 1.00 0.00 C ATOM 779 CE1 TYR A 48 -0.944 9.755 -3.479 1.00 0.00 C ATOM 780 CE2 TYR A 48 1.061 8.535 -3.930 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.292 8.609 -3.813 1.00 0.00 C ATOM 782 OH TYR A 48 -1.025 7.487 -4.040 1.00 0.00 O ATOM 0 H TYR A 48 0.788 14.276 -2.664 1.00 0.00 H new ATOM 0 HA TYR A 48 1.606 11.996 -0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.762 12.920 -3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.087 11.934 -3.246 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.661 11.866 -2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.914 9.691 -3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.021 9.773 -3.396 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.542 7.606 -4.197 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.906 7.737 -4.390 1.00 0.00 H new ATOM 792 N THR A 49 4.188 12.600 -1.116 1.00 0.00 N ATOM 793 CA THR A 49 5.491 13.097 -0.710 1.00 0.00 C ATOM 794 C THR A 49 6.503 12.928 -1.845 1.00 0.00 C ATOM 795 O THR A 49 6.167 12.412 -2.910 1.00 0.00 O ATOM 796 CB THR A 49 5.894 12.372 0.575 1.00 0.00 C ATOM 797 OG1 THR A 49 6.240 11.060 0.140 1.00 0.00 O ATOM 798 CG2 THR A 49 4.710 12.151 1.519 1.00 0.00 C ATOM 0 H THR A 49 4.145 11.593 -1.273 1.00 0.00 H new ATOM 0 HA THR A 49 5.459 14.166 -0.501 1.00 0.00 H new ATOM 0 HB THR A 49 6.665 12.946 1.088 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.516 10.522 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.051 11.633 2.415 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.282 13.114 1.797 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.952 11.549 1.018 1.00 0.00 H new ATOM 806 N ASP A 50 7.723 13.373 -1.579 1.00 0.00 N ATOM 807 CA ASP A 50 8.786 13.278 -2.565 1.00 0.00 C ATOM 808 C ASP A 50 9.556 11.973 -2.354 1.00 0.00 C ATOM 809 O ASP A 50 10.720 11.866 -2.737 1.00 0.00 O ATOM 810 CB ASP A 50 9.773 14.438 -2.423 1.00 0.00 C ATOM 811 CG ASP A 50 9.773 15.433 -3.586 1.00 0.00 C ATOM 812 OD1 ASP A 50 9.685 14.958 -4.739 1.00 0.00 O ATOM 813 OD2 ASP A 50 9.861 16.645 -3.295 1.00 0.00 O ATOM 0 H ASP A 50 7.999 13.800 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 50 8.332 13.310 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.547 14.977 -1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.778 14.029 -2.314 1.00 0.00 H new ATOM 818 N ALA A 51 8.876 11.014 -1.744 1.00 0.00 N ATOM 819 CA ALA A 51 9.482 9.720 -1.477 1.00 0.00 C ATOM 820 C ALA A 51 8.898 8.681 -2.436 1.00 0.00 C ATOM 821 O ALA A 51 9.615 8.129 -3.270 1.00 0.00 O ATOM 822 CB ALA A 51 9.263 9.347 -0.009 1.00 0.00 C ATOM 0 H ALA A 51 7.911 11.107 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 51 10.558 9.757 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.717 8.377 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.721 10.101 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.194 9.297 0.198 1.00 0.00 H new ATOM 828 N ASN A 52 7.603 8.446 -2.287 1.00 0.00 N ATOM 829 CA ASN A 52 6.915 7.482 -3.129 1.00 0.00 C ATOM 830 C ASN A 52 6.984 7.945 -4.586 1.00 0.00 C ATOM 831 O ASN A 52 7.639 7.310 -5.412 1.00 0.00 O ATOM 832 CB ASN A 52 5.440 7.365 -2.740 1.00 0.00 C ATOM 833 CG ASN A 52 4.808 6.115 -3.358 1.00 0.00 C ATOM 834 OD1 ASN A 52 5.482 5.182 -3.761 1.00 0.00 O ATOM 835 ND2 ASN A 52 3.480 6.151 -3.410 1.00 0.00 N ATOM 0 H ASN A 52 7.012 8.907 -1.595 1.00 0.00 H new ATOM 0 HA ASN A 52 7.400 6.514 -3.000 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.348 7.325 -1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.901 8.252 -3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.964 5.365 -3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.978 6.964 -3.054 1.00 0.00 H new ATOM 842 N ILE A 53 6.300 9.046 -4.857 1.00 0.00 N ATOM 843 CA ILE A 53 6.275 9.601 -6.200 1.00 0.00 C ATOM 844 C ILE A 53 7.685 9.550 -6.794 1.00 0.00 C ATOM 845 O ILE A 53 7.854 9.259 -7.977 1.00 0.00 O ATOM 846 CB ILE A 53 5.662 11.003 -6.190 1.00 0.00 C ATOM 847 CG1 ILE A 53 4.134 10.933 -6.207 1.00 0.00 C ATOM 848 CG2 ILE A 53 6.211 11.849 -7.340 1.00 0.00 C ATOM 849 CD1 ILE A 53 3.519 12.282 -5.831 1.00 0.00 C ATOM 0 H ILE A 53 5.758 9.569 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 53 5.633 9.003 -6.847 1.00 0.00 H new ATOM 0 HB ILE A 53 5.951 11.496 -5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.791 10.637 -7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.794 10.167 -5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.759 12.841 -7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.293 11.940 -7.241 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.973 11.370 -8.290 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.432 12.204 -5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.844 12.564 -4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.842 13.040 -6.544 1.00 0.00 H new ATOM 861 N LYS A 54 8.661 9.838 -5.945 1.00 0.00 N ATOM 862 CA LYS A 54 10.050 9.829 -6.371 1.00 0.00 C ATOM 863 C LYS A 54 10.618 8.417 -6.214 1.00 0.00 C ATOM 864 O LYS A 54 11.723 8.241 -5.703 1.00 0.00 O ATOM 865 CB LYS A 54 10.847 10.899 -5.622 1.00 0.00 C ATOM 866 CG LYS A 54 10.216 12.281 -5.806 1.00 0.00 C ATOM 867 CD LYS A 54 10.732 12.954 -7.079 1.00 0.00 C ATOM 868 CE LYS A 54 10.156 14.364 -7.225 1.00 0.00 C ATOM 869 NZ LYS A 54 10.123 14.765 -8.649 1.00 0.00 N ATOM 0 H LYS A 54 8.517 10.079 -4.964 1.00 0.00 H new ATOM 0 HA LYS A 54 10.126 10.088 -7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.887 10.652 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.875 10.913 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.131 12.186 -5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.443 12.906 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.821 13.003 -7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.460 12.354 -7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.149 14.397 -6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.760 15.071 -6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.729 15.724 -8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.088 14.753 -9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.528 14.100 -9.183 1.00 0.00 H new ATOM 883 N LYS A 55 9.836 7.446 -6.662 1.00 0.00 N ATOM 884 CA LYS A 55 10.247 6.054 -6.577 1.00 0.00 C ATOM 885 C LYS A 55 9.841 5.328 -7.861 1.00 0.00 C ATOM 886 O LYS A 55 10.679 4.722 -8.528 1.00 0.00 O ATOM 887 CB LYS A 55 9.695 5.409 -5.305 1.00 0.00 C ATOM 888 CG LYS A 55 10.675 4.377 -4.744 1.00 0.00 C ATOM 889 CD LYS A 55 10.804 3.176 -5.682 1.00 0.00 C ATOM 890 CE LYS A 55 12.262 2.948 -6.085 1.00 0.00 C ATOM 891 NZ LYS A 55 12.683 3.947 -7.093 1.00 0.00 N ATOM 0 H LYS A 55 8.920 7.595 -7.085 1.00 0.00 H new ATOM 0 HA LYS A 55 11.332 5.981 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.503 6.178 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.740 4.929 -5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.652 4.838 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.335 4.042 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.415 2.284 -5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.198 3.340 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.903 3.017 -5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.381 1.943 -6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.511 3.590 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.904 4.117 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.931 4.838 -6.617 1.00 0.00 H new ATOM 905 N ASN A 56 8.555 5.413 -8.170 1.00 0.00 N ATOM 906 CA ASN A 56 8.028 4.772 -9.362 1.00 0.00 C ATOM 907 C ASN A 56 7.890 3.269 -9.109 1.00 0.00 C ATOM 908 O ASN A 56 8.097 2.462 -10.014 1.00 0.00 O ATOM 909 CB ASN A 56 8.967 4.966 -10.554 1.00 0.00 C ATOM 910 CG ASN A 56 8.183 5.328 -11.817 1.00 0.00 C ATOM 911 OD1 ASN A 56 8.162 4.600 -12.796 1.00 0.00 O ATOM 912 ND2 ASN A 56 7.542 6.491 -11.741 1.00 0.00 N ATOM 0 H ASN A 56 7.863 5.916 -7.615 1.00 0.00 H new ATOM 0 HA ASN A 56 7.062 5.223 -9.587 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.686 5.754 -10.330 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.537 4.053 -10.725 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.991 6.822 -12.533 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.602 7.052 -10.891 1.00 0.00 H new ATOM 919 N VAL A 57 7.541 2.939 -7.874 1.00 0.00 N ATOM 920 CA VAL A 57 7.374 1.547 -7.491 1.00 0.00 C ATOM 921 C VAL A 57 6.149 0.971 -8.203 1.00 0.00 C ATOM 922 O VAL A 57 5.023 1.118 -7.729 1.00 0.00 O ATOM 923 CB VAL A 57 7.289 1.431 -5.968 1.00 0.00 C ATOM 924 CG1 VAL A 57 5.969 2.003 -5.447 1.00 0.00 C ATOM 925 CG2 VAL A 57 7.474 -0.020 -5.517 1.00 0.00 C ATOM 0 H VAL A 57 7.369 3.611 -7.126 1.00 0.00 H new ATOM 0 HA VAL A 57 8.237 0.959 -7.801 1.00 0.00 H new ATOM 0 HB VAL A 57 8.101 2.020 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.934 1.908 -4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.895 3.055 -5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.136 1.454 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.409 -0.074 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.694 -0.640 -5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.451 -0.380 -5.841 1.00 0.00 H new ATOM 935 N LEU A 58 6.409 0.325 -9.331 1.00 0.00 N ATOM 936 CA LEU A 58 5.342 -0.275 -10.113 1.00 0.00 C ATOM 937 C LEU A 58 4.690 -1.397 -9.303 1.00 0.00 C ATOM 938 O LEU A 58 5.214 -2.509 -9.244 1.00 0.00 O ATOM 939 CB LEU A 58 5.867 -0.726 -11.478 1.00 0.00 C ATOM 940 CG LEU A 58 4.817 -0.897 -12.577 1.00 0.00 C ATOM 941 CD1 LEU A 58 4.598 0.414 -13.336 1.00 0.00 C ATOM 942 CD2 LEU A 58 5.188 -2.047 -13.516 1.00 0.00 C ATOM 0 H LEU A 58 7.344 0.204 -9.722 1.00 0.00 H new ATOM 0 HA LEU A 58 4.564 0.459 -10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.606 -0.001 -11.819 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.388 -1.675 -11.349 1.00 0.00 H new ATOM 0 HG LEU A 58 3.870 -1.158 -12.106 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.847 0.264 -14.112 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.256 1.183 -12.643 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.535 0.730 -13.795 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.425 -2.147 -14.288 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.151 -1.840 -13.982 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.253 -2.975 -12.947 1.00 0.00 H new ATOM 954 N TRP A 59 3.558 -1.068 -8.700 1.00 0.00 N ATOM 955 CA TRP A 59 2.829 -2.034 -7.897 1.00 0.00 C ATOM 956 C TRP A 59 2.424 -3.196 -8.806 1.00 0.00 C ATOM 957 O TRP A 59 1.865 -2.982 -9.881 1.00 0.00 O ATOM 958 CB TRP A 59 1.637 -1.378 -7.198 1.00 0.00 C ATOM 959 CG TRP A 59 1.964 -0.041 -6.531 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.594 1.187 -6.920 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.749 0.155 -5.336 1.00 0.00 C ATOM 962 NE1 TRP A 59 2.081 2.156 -6.066 1.00 0.00 N ATOM 963 CE2 TRP A 59 2.805 1.508 -5.072 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.389 -0.781 -4.505 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.491 2.048 -3.977 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.071 -0.225 -3.415 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.137 1.135 -3.136 1.00 0.00 C ATOM 0 H TRP A 59 3.127 -0.145 -8.751 1.00 0.00 H new ATOM 0 HA TRP A 59 3.458 -2.422 -7.096 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.842 -1.223 -7.927 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.249 -2.063 -6.444 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.991 1.393 -7.792 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.936 3.162 -6.149 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.357 -1.844 -4.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.520 3.112 -3.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.581 -0.900 -2.744 1.00 0.00 H new ATOM 0 HH2 TRP A 59 4.685 1.486 -2.274 1.00 0.00 H new ATOM 978 N ASP A 60 2.721 -4.401 -8.342 1.00 0.00 N ATOM 979 CA ASP A 60 2.395 -5.597 -9.100 1.00 0.00 C ATOM 980 C ASP A 60 1.998 -6.715 -8.134 1.00 0.00 C ATOM 981 O ASP A 60 0.848 -7.153 -8.126 1.00 0.00 O ATOM 982 CB ASP A 60 3.599 -6.079 -9.912 1.00 0.00 C ATOM 983 CG ASP A 60 3.344 -7.321 -10.769 1.00 0.00 C ATOM 984 OD1 ASP A 60 3.423 -8.430 -10.199 1.00 0.00 O ATOM 985 OD2 ASP A 60 3.077 -7.132 -11.976 1.00 0.00 O ATOM 0 H ASP A 60 3.184 -4.575 -7.450 1.00 0.00 H new ATOM 0 HA ASP A 60 1.576 -5.355 -9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.928 -5.268 -10.562 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.420 -6.291 -9.227 1.00 0.00 H new ATOM 990 N GLU A 61 2.970 -7.145 -7.344 1.00 0.00 N ATOM 991 CA GLU A 61 2.736 -8.203 -6.377 1.00 0.00 C ATOM 992 C GLU A 61 3.948 -8.358 -5.455 1.00 0.00 C ATOM 993 O GLU A 61 3.912 -7.935 -4.301 1.00 0.00 O ATOM 994 CB GLU A 61 2.408 -9.523 -7.077 1.00 0.00 C ATOM 995 CG GLU A 61 2.417 -10.688 -6.085 1.00 0.00 C ATOM 996 CD GLU A 61 2.266 -12.027 -6.809 1.00 0.00 C ATOM 997 OE1 GLU A 61 1.315 -12.133 -7.613 1.00 0.00 O ATOM 998 OE2 GLU A 61 3.105 -12.914 -6.543 1.00 0.00 O ATOM 0 H GLU A 61 3.922 -6.779 -7.354 1.00 0.00 H new ATOM 0 HA GLU A 61 1.874 -7.928 -5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.430 -9.453 -7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.134 -9.709 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.348 -10.680 -5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.606 -10.565 -5.367 1.00 0.00 H new ATOM 1005 N ASN A 62 4.992 -8.964 -6.000 1.00 0.00 N ATOM 1006 CA ASN A 62 6.212 -9.180 -5.241 1.00 0.00 C ATOM 1007 C ASN A 62 6.844 -7.828 -4.905 1.00 0.00 C ATOM 1008 O ASN A 62 7.283 -7.607 -3.777 1.00 0.00 O ATOM 1009 CB ASN A 62 7.229 -9.988 -6.051 1.00 0.00 C ATOM 1010 CG ASN A 62 7.106 -11.483 -5.749 1.00 0.00 C ATOM 1011 OD1 ASN A 62 7.299 -11.935 -4.633 1.00 0.00 O ATOM 1012 ND2 ASN A 62 6.773 -12.222 -6.804 1.00 0.00 N ATOM 0 H ASN A 62 5.018 -9.312 -6.958 1.00 0.00 H new ATOM 0 HA ASN A 62 5.953 -9.729 -4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.072 -9.814 -7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.238 -9.648 -5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.665 -13.231 -6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.626 -11.779 -7.711 1.00 0.00 H new ATOM 1019 N ASN A 63 6.869 -6.957 -5.903 1.00 0.00 N ATOM 1020 CA ASN A 63 7.440 -5.632 -5.727 1.00 0.00 C ATOM 1021 C ASN A 63 6.722 -4.922 -4.578 1.00 0.00 C ATOM 1022 O ASN A 63 7.360 -4.466 -3.630 1.00 0.00 O ATOM 1023 CB ASN A 63 7.266 -4.786 -6.989 1.00 0.00 C ATOM 1024 CG ASN A 63 7.642 -3.326 -6.727 1.00 0.00 C ATOM 1025 OD1 ASN A 63 8.521 -3.017 -5.939 1.00 0.00 O ATOM 1026 ND2 ASN A 63 6.929 -2.449 -7.428 1.00 0.00 N ATOM 0 H ASN A 63 6.503 -7.143 -6.837 1.00 0.00 H new ATOM 0 HA ASN A 63 8.503 -5.747 -5.514 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.888 -5.188 -7.789 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.232 -4.843 -7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.104 -1.450 -7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.208 -2.776 -8.071 1.00 0.00 H new ATOM 1033 N MET A 64 5.405 -4.848 -4.700 1.00 0.00 N ATOM 1034 CA MET A 64 4.594 -4.201 -3.684 1.00 0.00 C ATOM 1035 C MET A 64 4.835 -4.827 -2.309 1.00 0.00 C ATOM 1036 O MET A 64 5.130 -4.122 -1.345 1.00 0.00 O ATOM 1037 CB MET A 64 3.114 -4.330 -4.051 1.00 0.00 C ATOM 1038 CG MET A 64 2.222 -3.799 -2.928 1.00 0.00 C ATOM 1039 SD MET A 64 1.123 -2.544 -3.564 1.00 0.00 S ATOM 1040 CE MET A 64 -0.273 -3.557 -4.023 1.00 0.00 C ATOM 0 H MET A 64 4.879 -5.226 -5.488 1.00 0.00 H new ATOM 0 HA MET A 64 4.875 -3.149 -3.638 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.914 -3.779 -4.970 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.874 -5.375 -4.247 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.644 -4.615 -2.495 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.837 -3.385 -2.129 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.385 -3.552 -5.107 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.110 -4.579 -3.680 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.178 -3.160 -3.563 1.00 0.00 H new ATOM 1050 N SER A 65 4.701 -6.144 -2.262 1.00 0.00 N ATOM 1051 CA SER A 65 4.900 -6.873 -1.021 1.00 0.00 C ATOM 1052 C SER A 65 6.277 -6.547 -0.438 1.00 0.00 C ATOM 1053 O SER A 65 6.410 -6.327 0.764 1.00 0.00 O ATOM 1054 CB SER A 65 4.759 -8.381 -1.239 1.00 0.00 C ATOM 1055 OG SER A 65 5.843 -8.915 -1.994 1.00 0.00 O ATOM 0 H SER A 65 4.457 -6.726 -3.064 1.00 0.00 H new ATOM 0 HA SER A 65 4.130 -6.562 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.708 -8.884 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.821 -8.587 -1.756 1.00 0.00 H new ATOM 0 HG SER A 65 6.121 -8.265 -2.672 1.00 0.00 H new ATOM 1061 N GLU A 66 7.267 -6.528 -1.319 1.00 0.00 N ATOM 1062 CA GLU A 66 8.629 -6.233 -0.907 1.00 0.00 C ATOM 1063 C GLU A 66 8.673 -4.921 -0.121 1.00 0.00 C ATOM 1064 O GLU A 66 9.496 -4.760 0.779 1.00 0.00 O ATOM 1065 CB GLU A 66 9.568 -6.182 -2.114 1.00 0.00 C ATOM 1066 CG GLU A 66 10.832 -7.005 -1.860 1.00 0.00 C ATOM 1067 CD GLU A 66 11.878 -6.754 -2.948 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.452 -6.493 -4.094 1.00 0.00 O ATOM 1069 OE2 GLU A 66 13.079 -6.829 -2.610 1.00 0.00 O ATOM 0 H GLU A 66 7.153 -6.712 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 66 8.973 -7.036 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.053 -6.562 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.839 -5.148 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.247 -6.749 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.580 -8.065 -1.830 1.00 0.00 H new ATOM 1076 N TYR A 67 7.779 -4.016 -0.491 1.00 0.00 N ATOM 1077 CA TYR A 67 7.705 -2.723 0.168 1.00 0.00 C ATOM 1078 C TYR A 67 6.798 -2.785 1.398 1.00 0.00 C ATOM 1079 O TYR A 67 7.192 -2.369 2.486 1.00 0.00 O ATOM 1080 CB TYR A 67 7.094 -1.763 -0.855 1.00 0.00 C ATOM 1081 CG TYR A 67 6.422 -0.537 -0.233 1.00 0.00 C ATOM 1082 CD1 TYR A 67 7.181 0.559 0.124 1.00 0.00 C ATOM 1083 CD2 TYR A 67 5.057 -0.527 -0.029 1.00 0.00 C ATOM 1084 CE1 TYR A 67 6.549 1.713 0.709 1.00 0.00 C ATOM 1085 CE2 TYR A 67 4.425 0.627 0.556 1.00 0.00 C ATOM 1086 CZ TYR A 67 5.202 1.690 0.897 1.00 0.00 C ATOM 1087 OH TYR A 67 4.605 2.779 1.449 1.00 0.00 O ATOM 0 H TYR A 67 7.099 -4.153 -1.239 1.00 0.00 H new ATOM 0 HA TYR A 67 8.693 -2.405 0.502 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.876 -1.429 -1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.360 -2.304 -1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.249 0.551 -0.035 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.463 -1.385 -0.308 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.131 2.577 0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.358 0.648 0.720 1.00 0.00 H new ATOM 0 HH TYR A 67 3.700 2.543 1.743 1.00 0.00 H new ATOM 1097 N LEU A 68 5.599 -3.307 1.183 1.00 0.00 N ATOM 1098 CA LEU A 68 4.632 -3.429 2.261 1.00 0.00 C ATOM 1099 C LEU A 68 5.344 -3.907 3.528 1.00 0.00 C ATOM 1100 O LEU A 68 5.102 -3.385 4.615 1.00 0.00 O ATOM 1101 CB LEU A 68 3.466 -4.324 1.836 1.00 0.00 C ATOM 1102 CG LEU A 68 2.632 -3.823 0.656 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.524 -4.818 0.305 1.00 0.00 C ATOM 1104 CD2 LEU A 68 2.078 -2.423 0.930 1.00 0.00 C ATOM 0 H LEU A 68 5.275 -3.650 0.279 1.00 0.00 H new ATOM 0 HA LEU A 68 4.192 -2.458 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.862 -5.308 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.805 -4.457 2.692 1.00 0.00 H new ATOM 0 HG LEU A 68 3.284 -3.747 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.946 -4.437 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.968 -5.777 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.868 -4.950 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.489 -2.091 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.446 -2.449 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.904 -1.730 1.093 1.00 0.00 H new ATOM 1116 N THR A 69 6.208 -4.895 3.346 1.00 0.00 N ATOM 1117 CA THR A 69 6.957 -5.449 4.460 1.00 0.00 C ATOM 1118 C THR A 69 7.937 -4.412 5.013 1.00 0.00 C ATOM 1119 O THR A 69 7.988 -4.182 6.220 1.00 0.00 O ATOM 1120 CB THR A 69 7.637 -6.733 3.981 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.421 -7.149 5.097 1.00 0.00 O ATOM 1122 CG2 THR A 69 8.667 -6.475 2.879 1.00 0.00 C ATOM 0 H THR A 69 6.406 -5.326 2.443 1.00 0.00 H new ATOM 0 HA THR A 69 6.299 -5.703 5.291 1.00 0.00 H new ATOM 0 HB THR A 69 6.881 -7.428 3.616 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.915 -7.799 5.628 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.119 -7.419 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.175 -6.016 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.441 -5.806 3.254 1.00 0.00 H new ATOM 1130 N ASN A 70 8.692 -3.814 4.102 1.00 0.00 N ATOM 1131 CA ASN A 70 9.668 -2.808 4.483 1.00 0.00 C ATOM 1132 C ASN A 70 9.424 -1.534 3.671 1.00 0.00 C ATOM 1133 O ASN A 70 10.176 -1.230 2.747 1.00 0.00 O ATOM 1134 CB ASN A 70 11.093 -3.285 4.197 1.00 0.00 C ATOM 1135 CG ASN A 70 12.089 -2.654 5.171 1.00 0.00 C ATOM 1136 OD1 ASN A 70 11.777 -1.734 5.910 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.302 -3.197 5.132 1.00 0.00 N ATOM 0 H ASN A 70 8.647 -4.007 3.102 1.00 0.00 H new ATOM 0 HA ASN A 70 9.559 -2.621 5.551 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.139 -4.371 4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.368 -3.029 3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.038 -2.846 5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.497 -3.965 4.490 1.00 0.00 H new ATOM 1144 N PRO A 71 8.342 -0.806 4.056 1.00 0.00 N ATOM 1145 CA PRO A 71 7.989 0.428 3.373 1.00 0.00 C ATOM 1146 C PRO A 71 8.937 1.563 3.768 1.00 0.00 C ATOM 1147 O PRO A 71 9.140 2.435 2.941 1.00 0.00 O ATOM 1148 CB PRO A 71 6.546 0.696 3.766 1.00 0.00 C ATOM 1149 CG PRO A 71 6.291 -0.136 5.013 1.00 0.00 C ATOM 1150 CD PRO A 71 7.429 -1.135 5.146 1.00 0.00 C ATOM 0 HA PRO A 71 8.085 0.352 2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.386 1.756 3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.864 0.415 2.963 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.239 0.503 5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.335 -0.654 4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.921 -1.047 6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.067 -2.160 5.064 1.00 0.00 H new HETATM 1158 N M3L A 72 9.442 1.471 4.988 1.00 0.00 N HETATM 1159 CA M3L A 72 10.342 2.504 5.543 1.00 0.00 C HETATM 1160 CB M3L A 72 10.414 2.325 7.073 1.00 0.00 C HETATM 1161 CG M3L A 72 9.082 2.892 7.567 1.00 0.00 C HETATM 1162 CD M3L A 72 8.710 2.374 8.969 1.00 0.00 C HETATM 1163 CE M3L A 72 9.350 3.359 9.967 1.00 0.00 C HETATM 1164 NZ M3L A 72 8.358 4.268 10.560 1.00 0.00 N HETATM 1165 C M3L A 72 11.755 2.516 5.024 1.00 0.00 C HETATM 1166 O M3L A 72 12.408 3.557 4.972 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.903 5.034 9.375 1.00 0.00 C HETATM 1168 CM2 M3L A 72 7.263 3.468 11.146 1.00 0.00 C HETATM 1169 CM3 M3L A 72 8.964 5.137 11.582 1.00 0.00 C HETATM 0 HM33 M3L A 72 9.387 4.523 12.377 1.00 0.00 H new HETATM 0 HM32 M3L A 72 9.753 5.737 11.128 1.00 0.00 H new HETATM 0 HM31 M3L A 72 8.202 5.795 11.998 1.00 0.00 H new HETATM 0 HM23 M3L A 72 6.793 2.869 10.366 1.00 0.00 H new HETATM 0 HM22 M3L A 72 7.665 2.810 11.916 1.00 0.00 H new HETATM 0 HM21 M3L A 72 6.522 4.134 11.588 1.00 0.00 H new HETATM 0 HM13 M3L A 72 8.751 5.556 8.931 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.474 4.350 8.643 1.00 0.00 H new HETATM 0 HM11 M3L A 72 7.149 5.760 9.679 1.00 0.00 H new HETATM 0 HG3 M3L A 72 9.138 3.980 7.587 1.00 0.00 H new HETATM 0 HG2 M3L A 72 8.293 2.627 6.863 1.00 0.00 H new HETATM 0 HE3 M3L A 72 9.848 2.800 10.759 1.00 0.00 H new HETATM 0 HE2 M3L A 72 10.117 3.943 9.458 1.00 0.00 H new HETATM 0 HD3 M3L A 72 7.628 2.336 9.097 1.00 0.00 H new HETATM 0 HD2 M3L A 72 9.085 1.362 9.124 1.00 0.00 H new HETATM 0 HB3 M3L A 72 10.530 1.277 7.349 1.00 0.00 H new HETATM 0 HB2 M3L A 72 11.261 2.862 7.500 1.00 0.00 H new HETATM 0 HA M3L A 72 9.901 3.449 5.225 1.00 0.00 H new HETATM 0 H M3L A 72 8.993 0.798 5.610 1.00 0.00 H new ATOM 1189 N LYS A 73 12.167 1.348 4.552 1.00 0.00 N ATOM 1190 CA LYS A 73 13.466 1.213 3.916 1.00 0.00 C ATOM 1191 C LYS A 73 13.349 1.598 2.440 1.00 0.00 C ATOM 1192 O LYS A 73 13.953 2.575 2.000 1.00 0.00 O ATOM 1193 CB LYS A 73 14.031 -0.190 4.143 1.00 0.00 C ATOM 1194 CG LYS A 73 15.496 -0.269 3.709 1.00 0.00 C ATOM 1195 CD LYS A 73 16.407 -0.556 4.903 1.00 0.00 C ATOM 1196 CE LYS A 73 17.585 -1.443 4.494 1.00 0.00 C ATOM 1197 NZ LYS A 73 17.427 -2.805 5.052 1.00 0.00 N ATOM 0 H LYS A 73 11.623 0.486 4.598 1.00 0.00 H new ATOM 0 HA LYS A 73 14.184 1.897 4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.946 -0.454 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.443 -0.918 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.615 -1.052 2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.791 0.669 3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.779 0.382 5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.835 -1.045 5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.649 -1.494 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.518 -1.005 4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.235 -3.394 4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.388 -2.753 6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.547 -3.227 4.694 1.00 0.00 H new ATOM 1211 N TYR A 74 12.568 0.810 1.716 1.00 0.00 N ATOM 1212 CA TYR A 74 12.364 1.056 0.299 1.00 0.00 C ATOM 1213 C TYR A 74 12.208 2.552 0.019 1.00 0.00 C ATOM 1214 O TYR A 74 12.936 3.114 -0.798 1.00 0.00 O ATOM 1215 CB TYR A 74 11.062 0.342 -0.070 1.00 0.00 C ATOM 1216 CG TYR A 74 10.954 -0.029 -1.550 1.00 0.00 C ATOM 1217 CD1 TYR A 74 11.541 0.773 -2.507 1.00 0.00 C ATOM 1218 CD2 TYR A 74 10.269 -1.166 -1.928 1.00 0.00 C ATOM 1219 CE1 TYR A 74 11.439 0.424 -3.901 1.00 0.00 C ATOM 1220 CE2 TYR A 74 10.167 -1.515 -3.322 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.757 -0.703 -4.239 1.00 0.00 C ATOM 1222 OH TYR A 74 10.660 -1.033 -5.555 1.00 0.00 O ATOM 0 H TYR A 74 12.069 0.000 2.084 1.00 0.00 H new ATOM 0 HA TYR A 74 13.216 0.698 -0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 74 10.975 -0.565 0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.221 0.982 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.077 1.663 -2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.810 -1.794 -1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 74 11.894 1.043 -4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.634 -2.402 -3.632 1.00 0.00 H new ATOM 0 HH TYR A 74 9.991 -1.740 -5.666 1.00 0.00 H new ATOM 1232 N ILE A 75 11.253 3.155 0.712 1.00 0.00 N ATOM 1233 CA ILE A 75 10.992 4.575 0.548 1.00 0.00 C ATOM 1234 C ILE A 75 11.437 5.320 1.808 1.00 0.00 C ATOM 1235 O ILE A 75 10.725 5.331 2.811 1.00 0.00 O ATOM 1236 CB ILE A 75 9.526 4.811 0.180 1.00 0.00 C ATOM 1237 CG1 ILE A 75 9.142 4.026 -1.076 1.00 0.00 C ATOM 1238 CG2 ILE A 75 9.231 6.306 0.033 1.00 0.00 C ATOM 1239 CD1 ILE A 75 7.625 4.010 -1.271 1.00 0.00 C ATOM 0 H ILE A 75 10.651 2.686 1.388 1.00 0.00 H new ATOM 0 HA ILE A 75 11.574 4.976 -0.282 1.00 0.00 H new ATOM 0 HB ILE A 75 8.906 4.438 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.619 4.473 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.513 3.004 -0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.182 6.446 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.440 6.813 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.860 6.725 -0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.380 3.446 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.152 3.541 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.261 5.032 -1.373 1.00 0.00 H new ATOM 1251 N PRO A 76 12.644 5.939 1.714 1.00 0.00 N ATOM 1252 CA PRO A 76 13.193 6.684 2.834 1.00 0.00 C ATOM 1253 C PRO A 76 12.478 8.027 3.002 1.00 0.00 C ATOM 1254 O PRO A 76 13.027 9.073 2.662 1.00 0.00 O ATOM 1255 CB PRO A 76 14.672 6.834 2.520 1.00 0.00 C ATOM 1256 CG PRO A 76 14.810 6.578 1.028 1.00 0.00 C ATOM 1257 CD PRO A 76 13.515 5.947 0.542 1.00 0.00 C ATOM 0 HA PRO A 76 13.052 6.175 3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 76 15.027 7.831 2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.267 6.124 3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.003 7.510 0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.654 5.917 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.076 6.522 -0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.683 4.938 0.166 1.00 0.00 H new ATOM 1265 N GLY A 77 11.264 7.953 3.527 1.00 0.00 N ATOM 1266 CA GLY A 77 10.468 9.149 3.744 1.00 0.00 C ATOM 1267 C GLY A 77 9.015 8.926 3.321 1.00 0.00 C ATOM 1268 O GLY A 77 8.416 9.780 2.670 1.00 0.00 O ATOM 0 H GLY A 77 10.812 7.083 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.505 9.428 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.891 9.979 3.179 1.00 0.00 H new ATOM 1272 N THR A 78 8.490 7.772 3.709 1.00 0.00 N ATOM 1273 CA THR A 78 7.119 7.426 3.378 1.00 0.00 C ATOM 1274 C THR A 78 6.229 7.527 4.619 1.00 0.00 C ATOM 1275 O THR A 78 6.348 6.720 5.540 1.00 0.00 O ATOM 1276 CB THR A 78 7.122 6.033 2.745 1.00 0.00 C ATOM 1277 OG1 THR A 78 5.814 5.897 2.197 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.208 4.916 3.787 1.00 0.00 C ATOM 0 H THR A 78 8.990 7.066 4.249 1.00 0.00 H new ATOM 0 HA THR A 78 6.698 8.126 2.656 1.00 0.00 H new ATOM 0 HB THR A 78 7.962 5.951 2.055 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.730 5.021 1.765 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.207 3.949 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.128 5.025 4.362 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.351 4.977 4.458 1.00 0.00 H new ATOM 1286 N LYS A 79 5.358 8.525 4.603 1.00 0.00 N ATOM 1287 CA LYS A 79 4.448 8.742 5.716 1.00 0.00 C ATOM 1288 C LYS A 79 3.914 7.393 6.202 1.00 0.00 C ATOM 1289 O LYS A 79 3.588 7.238 7.378 1.00 0.00 O ATOM 1290 CB LYS A 79 3.351 9.734 5.325 1.00 0.00 C ATOM 1291 CG LYS A 79 2.401 9.990 6.497 1.00 0.00 C ATOM 1292 CD LYS A 79 1.904 11.437 6.494 1.00 0.00 C ATOM 1293 CE LYS A 79 2.855 12.345 7.276 1.00 0.00 C ATOM 1294 NZ LYS A 79 3.424 13.385 6.391 1.00 0.00 N ATOM 0 H LYS A 79 5.263 9.192 3.838 1.00 0.00 H new ATOM 0 HA LYS A 79 4.973 9.198 6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.802 10.674 5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.790 9.345 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.551 9.310 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.912 9.779 7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.817 11.793 5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.907 11.484 6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.321 12.815 8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.658 11.751 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.067 13.992 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.950 12.932 5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.655 13.963 5.995 1.00 0.00 H new ATOM 1308 N MET A 80 3.839 6.452 5.273 1.00 0.00 N ATOM 1309 CA MET A 80 3.350 5.122 5.592 1.00 0.00 C ATOM 1310 C MET A 80 4.184 4.483 6.704 1.00 0.00 C ATOM 1311 O MET A 80 5.181 3.816 6.432 1.00 0.00 O ATOM 1312 CB MET A 80 3.407 4.242 4.341 1.00 0.00 C ATOM 1313 CG MET A 80 3.001 2.803 4.664 1.00 0.00 C ATOM 1314 SD MET A 80 2.557 1.943 3.164 1.00 0.00 S ATOM 1315 CE MET A 80 2.442 0.274 3.786 1.00 0.00 C ATOM 0 H MET A 80 4.109 6.584 4.298 1.00 0.00 H new ATOM 0 HA MET A 80 2.320 5.208 5.939 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.745 4.648 3.576 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.416 4.255 3.928 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.823 2.287 5.159 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.160 2.801 5.357 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.891 -0.342 3.076 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.444 -0.134 3.919 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.921 0.278 4.744 1.00 0.00 H new ATOM 1325 N ALA A 81 3.745 4.709 7.934 1.00 0.00 N ATOM 1326 CA ALA A 81 4.439 4.164 9.088 1.00 0.00 C ATOM 1327 C ALA A 81 3.804 2.827 9.475 1.00 0.00 C ATOM 1328 O ALA A 81 2.956 2.773 10.364 1.00 0.00 O ATOM 1329 CB ALA A 81 4.403 5.179 10.232 1.00 0.00 C ATOM 0 H ALA A 81 2.917 5.262 8.156 1.00 0.00 H new ATOM 0 HA ALA A 81 5.486 3.976 8.852 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.924 4.770 11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.892 6.101 9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.367 5.391 10.498 1.00 0.00 H new ATOM 1335 N PHE A 82 4.238 1.781 8.787 1.00 0.00 N ATOM 1336 CA PHE A 82 3.722 0.448 9.048 1.00 0.00 C ATOM 1337 C PHE A 82 4.822 -0.471 9.584 1.00 0.00 C ATOM 1338 O PHE A 82 5.951 -0.443 9.096 1.00 0.00 O ATOM 1339 CB PHE A 82 3.218 -0.105 7.713 1.00 0.00 C ATOM 1340 CG PHE A 82 2.948 -1.611 7.726 1.00 0.00 C ATOM 1341 CD1 PHE A 82 2.153 -2.151 8.688 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.502 -2.410 6.775 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.901 -3.549 8.701 1.00 0.00 C ATOM 1344 CE2 PHE A 82 3.251 -3.808 6.787 1.00 0.00 C ATOM 1345 CZ PHE A 82 2.456 -4.347 7.749 1.00 0.00 C ATOM 0 H PHE A 82 4.941 1.830 8.049 1.00 0.00 H new ATOM 0 HA PHE A 82 2.929 0.495 9.795 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.301 0.416 7.439 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.953 0.115 6.939 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.713 -1.516 9.443 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.133 -1.981 6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.270 -3.978 9.465 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.692 -4.442 6.032 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.265 -5.410 7.758 1.00 0.00 H new ATOM 1355 N GLY A 83 4.455 -1.262 10.581 1.00 0.00 N ATOM 1356 CA GLY A 83 5.396 -2.187 11.188 1.00 0.00 C ATOM 1357 C GLY A 83 6.189 -2.943 10.120 1.00 0.00 C ATOM 1358 O GLY A 83 7.407 -2.798 10.027 1.00 0.00 O ATOM 0 H GLY A 83 3.518 -1.281 10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.081 -1.641 11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.859 -2.897 11.818 1.00 0.00 H new ATOM 1362 N GLY A 84 5.465 -3.734 9.342 1.00 0.00 N ATOM 1363 CA GLY A 84 6.085 -4.514 8.284 1.00 0.00 C ATOM 1364 C GLY A 84 5.861 -6.012 8.503 1.00 0.00 C ATOM 1365 O GLY A 84 6.406 -6.594 9.440 1.00 0.00 O ATOM 0 H GLY A 84 4.455 -3.852 9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.672 -4.218 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.154 -4.304 8.251 1.00 0.00 H new ATOM 1369 N LEU A 85 5.058 -6.592 7.623 1.00 0.00 N ATOM 1370 CA LEU A 85 4.756 -8.011 7.709 1.00 0.00 C ATOM 1371 C LEU A 85 5.917 -8.812 7.118 1.00 0.00 C ATOM 1372 O LEU A 85 6.071 -8.882 5.900 1.00 0.00 O ATOM 1373 CB LEU A 85 3.405 -8.311 7.055 1.00 0.00 C ATOM 1374 CG LEU A 85 2.167 -7.969 7.885 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.070 -7.361 7.009 1.00 0.00 C ATOM 1376 CD2 LEU A 85 1.671 -9.192 8.659 1.00 0.00 C ATOM 0 H LEU A 85 4.608 -6.106 6.848 1.00 0.00 H new ATOM 0 HA LEU A 85 4.655 -8.317 8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.350 -7.763 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.371 -9.372 6.809 1.00 0.00 H new ATOM 0 HG LEU A 85 2.446 -7.214 8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.201 -7.127 7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.441 -6.448 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.785 -8.074 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.790 -8.922 9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.413 -9.986 7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.456 -9.541 9.330 1.00 0.00 H new ATOM 1388 N LYS A 86 6.704 -9.397 8.009 1.00 0.00 N ATOM 1389 CA LYS A 86 7.847 -10.191 7.590 1.00 0.00 C ATOM 1390 C LYS A 86 7.424 -11.655 7.455 1.00 0.00 C ATOM 1391 O LYS A 86 8.190 -12.560 7.782 1.00 0.00 O ATOM 1392 CB LYS A 86 9.025 -9.977 8.543 1.00 0.00 C ATOM 1393 CG LYS A 86 8.709 -10.523 9.937 1.00 0.00 C ATOM 1394 CD LYS A 86 9.934 -11.206 10.549 1.00 0.00 C ATOM 1395 CE LYS A 86 9.533 -12.103 11.721 1.00 0.00 C ATOM 1396 NZ LYS A 86 8.824 -13.307 11.234 1.00 0.00 N ATOM 0 H LYS A 86 6.573 -9.337 9.019 1.00 0.00 H new ATOM 0 HA LYS A 86 8.196 -9.868 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.912 -10.472 8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.256 -8.914 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.380 -9.710 10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.885 -11.234 9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.441 -11.800 9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.643 -10.452 10.890 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.420 -12.398 12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.892 -11.549 12.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.837 -13.284 11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.845 -13.326 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.291 -14.159 11.605 1.00 0.00 H new ATOM 1410 N LYS A 87 6.204 -11.843 6.972 1.00 0.00 N ATOM 1411 CA LYS A 87 5.669 -13.181 6.790 1.00 0.00 C ATOM 1412 C LYS A 87 5.038 -13.288 5.400 1.00 0.00 C ATOM 1413 O LYS A 87 3.832 -13.103 5.246 1.00 0.00 O ATOM 1414 CB LYS A 87 4.712 -13.536 7.929 1.00 0.00 C ATOM 1415 CG LYS A 87 5.438 -13.535 9.276 1.00 0.00 C ATOM 1416 CD LYS A 87 6.329 -14.771 9.419 1.00 0.00 C ATOM 1417 CE LYS A 87 5.580 -15.909 10.116 1.00 0.00 C ATOM 1418 NZ LYS A 87 6.302 -16.332 11.337 1.00 0.00 N ATOM 0 H LYS A 87 5.571 -11.090 6.701 1.00 0.00 H new ATOM 0 HA LYS A 87 6.469 -13.920 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.890 -12.821 7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.274 -14.518 7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.044 -12.633 9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.709 -13.512 10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.662 -15.099 8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.222 -14.516 9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.573 -15.584 10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.476 -16.755 9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.781 -17.105 11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.254 -16.661 11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.379 -15.527 11.991 1.00 0.00 H new ATOM 1432 N GLU A 88 5.882 -13.587 4.423 1.00 0.00 N ATOM 1433 CA GLU A 88 5.421 -13.721 3.052 1.00 0.00 C ATOM 1434 C GLU A 88 4.060 -14.418 3.014 1.00 0.00 C ATOM 1435 O GLU A 88 3.212 -14.088 2.187 1.00 0.00 O ATOM 1436 CB GLU A 88 6.446 -14.474 2.200 1.00 0.00 C ATOM 1437 CG GLU A 88 7.168 -13.523 1.244 1.00 0.00 C ATOM 1438 CD GLU A 88 8.651 -13.882 1.130 1.00 0.00 C ATOM 1439 OE1 GLU A 88 8.933 -14.954 0.552 1.00 0.00 O ATOM 1440 OE2 GLU A 88 9.470 -13.076 1.623 1.00 0.00 O ATOM 0 H GLU A 88 6.882 -13.740 4.554 1.00 0.00 H new ATOM 0 HA GLU A 88 5.308 -12.723 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.172 -14.965 2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.946 -15.257 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.702 -13.568 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.065 -12.497 1.598 1.00 0.00 H new ATOM 1447 N LYS A 89 3.893 -15.370 3.921 1.00 0.00 N ATOM 1448 CA LYS A 89 2.649 -16.116 4.002 1.00 0.00 C ATOM 1449 C LYS A 89 1.473 -15.137 4.033 1.00 0.00 C ATOM 1450 O LYS A 89 0.650 -15.121 3.120 1.00 0.00 O ATOM 1451 CB LYS A 89 2.678 -17.079 5.190 1.00 0.00 C ATOM 1452 CG LYS A 89 4.007 -17.836 5.250 1.00 0.00 C ATOM 1453 CD LYS A 89 3.776 -19.348 5.272 1.00 0.00 C ATOM 1454 CE LYS A 89 4.723 -20.061 4.305 1.00 0.00 C ATOM 1455 NZ LYS A 89 5.828 -20.711 5.045 1.00 0.00 N ATOM 0 H LYS A 89 4.599 -15.641 4.606 1.00 0.00 H new ATOM 0 HA LYS A 89 2.522 -16.741 3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.529 -16.524 6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.855 -17.788 5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.620 -17.571 4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.561 -17.536 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.928 -19.728 6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.743 -19.566 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.173 -20.807 3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.128 -19.345 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.461 -21.190 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.363 -19.992 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.437 -21.408 5.710 1.00 0.00 H new ATOM 1469 N ASP A 90 1.432 -14.345 5.094 1.00 0.00 N ATOM 1470 CA ASP A 90 0.371 -13.365 5.256 1.00 0.00 C ATOM 1471 C ASP A 90 0.361 -12.426 4.049 1.00 0.00 C ATOM 1472 O ASP A 90 -0.701 -12.103 3.517 1.00 0.00 O ATOM 1473 CB ASP A 90 0.590 -12.519 6.512 1.00 0.00 C ATOM 1474 CG ASP A 90 -0.226 -12.950 7.733 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -0.629 -14.133 7.757 1.00 0.00 O ATOM 1476 OD2 ASP A 90 -0.427 -12.087 8.614 1.00 0.00 O ATOM 0 H ASP A 90 2.116 -14.362 5.850 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.574 -13.902 5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.648 -12.549 6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.348 -11.482 6.280 1.00 0.00 H new ATOM 1481 N ARG A 91 1.555 -12.013 3.650 1.00 0.00 N ATOM 1482 CA ARG A 91 1.697 -11.117 2.515 1.00 0.00 C ATOM 1483 C ARG A 91 0.980 -11.692 1.292 1.00 0.00 C ATOM 1484 O ARG A 91 0.326 -10.960 0.551 1.00 0.00 O ATOM 1485 CB ARG A 91 3.171 -10.891 2.174 1.00 0.00 C ATOM 1486 CG ARG A 91 3.953 -10.419 3.402 1.00 0.00 C ATOM 1487 CD ARG A 91 5.291 -9.798 2.995 1.00 0.00 C ATOM 1488 NE ARG A 91 6.402 -10.496 3.679 1.00 0.00 N ATOM 1489 CZ ARG A 91 7.665 -10.514 3.234 1.00 0.00 C ATOM 1490 NH1 ARG A 91 7.986 -9.872 2.102 1.00 0.00 N ATOM 1491 NH2 ARG A 91 8.609 -11.174 3.920 1.00 0.00 N ATOM 0 H ARG A 91 2.433 -12.283 4.093 1.00 0.00 H new ATOM 0 HA ARG A 91 1.248 -10.162 2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.606 -11.816 1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.254 -10.150 1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.362 -9.689 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.128 -11.261 4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.419 -9.865 1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.303 -8.739 3.252 1.00 0.00 H new ATOM 0 HE ARG A 91 6.193 -10.995 4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.268 -9.370 1.579 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.948 -9.886 1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.365 -11.663 4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.571 -11.187 3.580 1.00 0.00 H new ATOM 1505 N ASN A 92 1.127 -12.997 1.119 1.00 0.00 N ATOM 1506 CA ASN A 92 0.501 -13.679 -0.001 1.00 0.00 C ATOM 1507 C ASN A 92 -1.019 -13.563 0.122 1.00 0.00 C ATOM 1508 O ASN A 92 -1.692 -13.141 -0.817 1.00 0.00 O ATOM 1509 CB ASN A 92 0.863 -15.165 -0.014 1.00 0.00 C ATOM 1510 CG ASN A 92 2.380 -15.360 0.017 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.153 -14.469 -0.294 1.00 0.00 O ATOM 1512 ND2 ASN A 92 2.762 -16.573 0.408 1.00 0.00 N ATOM 0 H ASN A 92 1.671 -13.601 1.736 1.00 0.00 H new ATOM 0 HA ASN A 92 0.857 -13.214 -0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.411 -15.660 0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.450 -15.636 -0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.754 -16.803 0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.062 -17.273 0.655 1.00 0.00 H new ATOM 1519 N ASP A 93 -1.517 -13.946 1.289 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.946 -13.891 1.547 1.00 0.00 C ATOM 1521 C ASP A 93 -3.482 -12.519 1.133 1.00 0.00 C ATOM 1522 O ASP A 93 -4.391 -12.426 0.310 1.00 0.00 O ATOM 1523 CB ASP A 93 -3.245 -14.086 3.035 1.00 0.00 C ATOM 1524 CG ASP A 93 -3.195 -15.536 3.519 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -4.178 -16.259 3.247 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.176 -15.889 4.151 1.00 0.00 O ATOM 0 H ASP A 93 -0.956 -14.296 2.066 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.423 -14.688 0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.530 -13.501 3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.235 -13.682 3.248 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.896 -11.488 1.723 1.00 0.00 N ATOM 1532 CA LEU A 94 -3.303 -10.125 1.426 1.00 0.00 C ATOM 1533 C LEU A 94 -3.285 -9.910 -0.089 1.00 0.00 C ATOM 1534 O LEU A 94 -4.335 -9.757 -0.710 1.00 0.00 O ATOM 1535 CB LEU A 94 -2.439 -9.127 2.199 1.00 0.00 C ATOM 1536 CG LEU A 94 -3.184 -8.201 3.164 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -2.307 -7.015 3.572 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -4.519 -7.749 2.569 1.00 0.00 C ATOM 0 H LEU A 94 -2.142 -11.569 2.406 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.326 -9.952 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.693 -9.685 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.899 -8.511 1.480 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.409 -8.762 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.860 -6.373 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.406 -7.381 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.030 -6.445 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.028 -7.092 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.339 -7.212 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.142 -8.621 2.370 1.00 0.00 H new ATOM 1550 N ILE A 95 -2.079 -9.906 -0.639 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.910 -9.713 -2.069 1.00 0.00 C ATOM 1552 C ILE A 95 -3.009 -10.471 -2.815 1.00 0.00 C ATOM 1553 O ILE A 95 -3.733 -9.889 -3.621 1.00 0.00 O ATOM 1554 CB ILE A 95 -0.494 -10.102 -2.498 1.00 0.00 C ATOM 1555 CG1 ILE A 95 0.549 -9.218 -1.812 1.00 0.00 C ATOM 1556 CG2 ILE A 95 -0.356 -10.074 -4.022 1.00 0.00 C ATOM 1557 CD1 ILE A 95 1.857 -9.981 -1.594 1.00 0.00 C ATOM 0 H ILE A 95 -1.210 -10.033 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 95 -2.018 -8.659 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.309 -11.127 -2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.737 -8.333 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.163 -8.870 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.660 -10.354 -4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.061 -10.778 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.569 -9.070 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.581 -9.329 -1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.670 -10.852 -0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.253 -10.306 -2.556 1.00 0.00 H new ATOM 1569 N THR A 96 -3.100 -11.760 -2.520 1.00 0.00 N ATOM 1570 CA THR A 96 -4.098 -12.604 -3.153 1.00 0.00 C ATOM 1571 C THR A 96 -5.428 -11.857 -3.276 1.00 0.00 C ATOM 1572 O THR A 96 -6.015 -11.801 -4.355 1.00 0.00 O ATOM 1573 CB THR A 96 -4.202 -13.900 -2.347 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.602 -14.882 -3.188 1.00 0.00 O ATOM 1575 CG2 THR A 96 -5.647 -14.378 -2.188 1.00 0.00 C ATOM 0 H THR A 96 -2.498 -12.240 -1.851 1.00 0.00 H new ATOM 0 HA THR A 96 -3.809 -12.861 -4.172 1.00 0.00 H new ATOM 0 HB THR A 96 -3.759 -13.750 -1.362 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.015 -15.754 -3.018 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.663 -15.301 -1.608 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.228 -13.614 -1.671 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.080 -14.560 -3.171 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.864 -11.302 -2.155 1.00 0.00 N ATOM 1584 CA TYR A 97 -7.113 -10.561 -2.123 1.00 0.00 C ATOM 1585 C TYR A 97 -6.926 -9.147 -2.675 1.00 0.00 C ATOM 1586 O TYR A 97 -7.705 -8.695 -3.513 1.00 0.00 O ATOM 1587 CB TYR A 97 -7.514 -10.472 -0.649 1.00 0.00 C ATOM 1588 CG TYR A 97 -8.501 -9.345 -0.339 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -9.834 -9.485 -0.669 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -8.058 -8.188 0.269 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -10.762 -8.424 -0.377 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -8.987 -7.127 0.561 1.00 0.00 C ATOM 1593 CZ TYR A 97 -10.293 -7.297 0.223 1.00 0.00 C ATOM 1594 OH TYR A 97 -11.171 -6.295 0.498 1.00 0.00 O ATOM 0 H TYR A 97 -5.374 -11.351 -1.262 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.869 -11.057 -2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.955 -11.421 -0.345 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.616 -10.331 -0.047 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.180 -10.390 -1.146 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.015 -8.078 0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.808 -8.521 -0.629 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.654 -6.217 1.038 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.763 -5.667 1.129 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.888 -8.486 -2.182 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.588 -7.132 -2.615 1.00 0.00 C ATOM 1606 C LEU A 98 -5.749 -7.040 -4.134 1.00 0.00 C ATOM 1607 O LEU A 98 -6.478 -6.184 -4.634 1.00 0.00 O ATOM 1608 CB LEU A 98 -4.207 -6.703 -2.116 1.00 0.00 C ATOM 1609 CG LEU A 98 -4.125 -5.313 -1.482 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -4.547 -4.231 -2.477 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -4.940 -5.252 -0.188 1.00 0.00 C ATOM 0 H LEU A 98 -5.244 -8.864 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.293 -6.426 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.863 -7.435 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.512 -6.740 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.086 -5.119 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.480 -3.253 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.889 -4.258 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.574 -4.410 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.865 -4.253 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.984 -5.476 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.552 -5.983 0.521 1.00 0.00 H new ATOM 1623 N LYS A 99 -5.057 -7.933 -4.826 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.114 -7.963 -6.277 1.00 0.00 C ATOM 1625 C LYS A 99 -6.554 -7.713 -6.732 1.00 0.00 C ATOM 1626 O LYS A 99 -6.795 -6.901 -7.624 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.519 -9.268 -6.810 1.00 0.00 C ATOM 1628 CG LYS A 99 -4.723 -9.387 -8.322 1.00 0.00 C ATOM 1629 CD LYS A 99 -3.654 -8.601 -9.084 1.00 0.00 C ATOM 1630 CE LYS A 99 -3.365 -9.244 -10.441 1.00 0.00 C ATOM 1631 NZ LYS A 99 -4.561 -9.181 -11.310 1.00 0.00 N ATOM 0 H LYS A 99 -4.454 -8.641 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.503 -7.165 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.455 -9.307 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.986 -10.116 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.687 -10.436 -8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.712 -9.015 -8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.987 -7.573 -9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.738 -8.560 -8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.531 -8.732 -10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.064 -10.282 -10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.311 -9.497 -12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.303 -9.799 -10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.911 -8.202 -11.348 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.473 -8.427 -6.098 1.00 0.00 N ATOM 1646 CA LYS A 100 -8.882 -8.293 -6.427 1.00 0.00 C ATOM 1647 C LYS A 100 -9.439 -7.033 -5.761 1.00 0.00 C ATOM 1648 O LYS A 100 -10.074 -6.209 -6.416 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.641 -9.569 -6.060 1.00 0.00 C ATOM 1650 CG LYS A 100 -11.070 -9.533 -6.606 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.621 -10.948 -6.795 1.00 0.00 C ATOM 1652 CE LYS A 100 -11.179 -11.533 -8.138 1.00 0.00 C ATOM 1653 NZ LYS A 100 -12.068 -11.065 -9.225 1.00 0.00 N ATOM 0 H LYS A 100 -7.269 -9.100 -5.359 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.012 -8.170 -7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.116 -10.436 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.665 -9.683 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.711 -8.978 -5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.086 -9.003 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.275 -11.588 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.710 -10.928 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.151 -11.239 -8.349 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.195 -12.622 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.754 -11.471 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.044 -11.367 -9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.032 -10.027 -9.281 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.180 -6.923 -4.466 1.00 0.00 N ATOM 1668 CA ALA A 101 -9.647 -5.778 -3.704 1.00 0.00 C ATOM 1669 C ALA A 101 -9.483 -4.510 -4.544 1.00 0.00 C ATOM 1670 O ALA A 101 -10.413 -3.715 -4.663 1.00 0.00 O ATOM 1671 CB ALA A 101 -8.887 -5.702 -2.378 1.00 0.00 C ATOM 0 H ALA A 101 -8.653 -7.609 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.706 -5.881 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.238 -4.843 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.061 -6.614 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.820 -5.596 -2.576 1.00 0.00 H new ATOM 1677 N SER A 102 -8.291 -4.361 -5.105 1.00 0.00 N ATOM 1678 CA SER A 102 -7.993 -3.203 -5.930 1.00 0.00 C ATOM 1679 C SER A 102 -8.504 -3.430 -7.354 1.00 0.00 C ATOM 1680 O SER A 102 -8.848 -2.478 -8.053 1.00 0.00 O ATOM 1681 CB SER A 102 -6.491 -2.910 -5.946 1.00 0.00 C ATOM 1682 OG SER A 102 -5.895 -3.109 -4.667 1.00 0.00 O ATOM 0 H SER A 102 -7.521 -5.023 -5.004 1.00 0.00 H new ATOM 0 HA SER A 102 -8.500 -2.338 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.004 -3.555 -6.677 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.326 -1.882 -6.267 1.00 0.00 H new ATOM 0 HG SER A 102 -5.862 -2.256 -4.185 1.00 0.00 H new ATOM 1688 N GLU A 103 -8.538 -4.696 -7.742 1.00 0.00 N ATOM 1689 CA GLU A 103 -9.002 -5.060 -9.070 1.00 0.00 C ATOM 1690 C GLU A 103 -10.339 -5.797 -8.982 1.00 0.00 C ATOM 1691 O GLU A 103 -11.399 -5.180 -9.074 1.00 0.00 O ATOM 1692 CB GLU A 103 -7.958 -5.905 -9.803 1.00 0.00 C ATOM 1693 CG GLU A 103 -8.178 -5.858 -11.316 1.00 0.00 C ATOM 1694 CD GLU A 103 -6.852 -5.983 -12.068 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -5.838 -5.509 -11.512 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -6.881 -6.550 -13.182 1.00 0.00 O ATOM 0 H GLU A 103 -8.252 -5.483 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.151 -4.146 -9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.958 -5.541 -9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.012 -6.937 -9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.847 -6.665 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.667 -4.922 -11.587 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 0.004 1.934 3.297 1.00 0.00 FE HETATM 1705 CHA HEC A 104 0.974 4.177 0.827 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.605 -0.327 0.760 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.441 -0.367 5.580 1.00 0.00 C HETATM 1708 CHD HEC A 104 0.011 4.357 5.489 1.00 0.00 C HETATM 1709 NA HEC A 104 0.158 1.970 1.240 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.555 2.929 0.389 1.00 0.00 C HETATM 1711 C2A HEC A 104 0.802 2.407 -0.976 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.327 1.161 -0.962 1.00 0.00 C HETATM 1713 C4A HEC A 104 -0.048 0.813 0.337 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.324 0.168 -2.186 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.259 3.299 -2.095 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.120 4.314 -2.437 1.00 0.00 C HETATM 1717 CGA HEC A 104 0.504 5.607 -3.142 1.00 0.00 C HETATM 1718 O1A HEC A 104 0.812 6.521 -2.370 1.00 0.00 O HETATM 1719 O2A HEC A 104 0.505 5.674 -4.390 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.451 0.001 3.188 1.00 0.00 N HETATM 1721 C1B HEC A 104 -0.875 -0.706 2.069 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.202 -2.044 2.552 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.102 -2.109 3.903 1.00 0.00 C HETATM 1724 C4B HEC A 104 -0.680 -0.780 4.256 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.750 -3.151 1.580 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.408 -3.212 4.882 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.533 -4.465 4.713 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.177 2.031 5.183 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.348 1.008 6.065 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.539 1.341 7.421 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.364 2.678 7.405 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.228 3.122 6.019 1.00 0.00 C HETATM 1733 CMC HEC A 104 -0.764 0.443 8.599 1.00 0.00 C HETATM 1734 CAC HEC A 104 -0.618 3.756 8.504 1.00 0.00 C HETATM 1735 CBC HEC A 104 0.209 3.481 9.781 1.00 0.00 C HETATM 1736 ND HEC A 104 0.406 3.914 3.180 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.356 4.785 4.262 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.716 6.063 3.854 1.00 0.00 C HETATM 1739 C3D HEC A 104 1.022 6.013 2.547 1.00 0.00 C HETATM 1740 C4D HEC A 104 0.899 4.620 2.128 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.844 7.347 4.794 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.608 7.183 1.718 1.00 0.00 C HETATM 1743 CBD HEC A 104 0.602 8.282 1.464 1.00 0.00 C HETATM 1744 CGD HEC A 104 1.080 9.721 1.528 1.00 0.00 C HETATM 1745 O1D HEC A 104 1.801 10.127 0.576 1.00 0.00 O HETATM 1746 O2D HEC A 104 0.843 10.300 2.611 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.117 7.549 5.266 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.594 7.162 5.563 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 1.143 8.208 4.196 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.670 -0.142 8.443 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 0.087 -0.229 8.712 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -0.872 1.046 9.501 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.684 -2.812 1.132 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -1.018 -3.340 0.795 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -1.929 -4.070 2.139 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.253 0.600 -3.004 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.348 -0.005 -2.517 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.125 -0.779 -1.885 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 0.172 8.118 0.476 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -0.206 8.167 2.187 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.063 2.507 10.188 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 1.271 3.487 9.535 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 0.003 4.254 10.521 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -0.675 -4.876 3.714 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.515 -4.198 4.850 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -0.817 -5.210 5.456 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -0.611 3.798 -3.060 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.383 4.577 -1.507 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.469 7.598 2.242 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 1.970 6.801 0.764 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.164 3.833 -1.805 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.508 2.703 -2.973 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.101 5.165 6.212 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.312 -1.156 6.321 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.880 -1.044 -0.014 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.394 4.857 0.086 1.00 0.00 H new HETATM 0 H2D HEC A 104 1.315 11.159 2.633 1.00 0.00 H new HETATM 0 H2A HEC A 104 0.190 6.558 -4.670 1.00 0.00 H new