USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 TYR OH : rot 87:sc= -0.234 USER MOD Set 1.2: A 80 GLN : amide:sc= 1.05 K(o=-22,f=-29!) USER MOD Set 1.3: A 83 HIS : no HD1:sc= -23.2! C(o=-22!,f=-32!) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0.763 USER MOD Set 2.2: A 31 THR OG1 : rot 9:sc= -2.55! USER MOD Single : A 20 CYS SG : rot 56:sc= -0.189 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -150:sc= -3.23! (180deg=-6.07!) USER MOD Single : A 30 GLN :FLIP amide:sc= 1.07 F(o=0,f=1.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -127:sc=-0.00566 (180deg=-0.334) USER MOD Single : A 49 CYS SG : rot 140:sc= -0.357 USER MOD Single : A 52 MET CE :methyl -146:sc= -0.922! (180deg=-3.23!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 140:sc= -4.19! USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.281 USER MOD Single : A 88 LYS NZ :NH3+ 157:sc= -0.12 (180deg=-0.583) USER MOD Single : A 89 THR OG1 : rot 43:sc= 0.85 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 20 -0.548 11.069 1.523 1.00 0.00 N ATOM 2 CA CYS A 20 -1.002 12.129 0.571 1.00 0.00 C ATOM 3 C CYS A 20 -0.982 11.594 -0.863 1.00 0.00 C ATOM 4 O CYS A 20 -0.620 12.290 -1.790 1.00 0.00 O ATOM 5 CB CYS A 20 0.003 13.273 0.730 1.00 0.00 C ATOM 6 SG CYS A 20 1.631 12.730 0.156 1.00 0.00 S ATOM 0 HA CYS A 20 -2.022 12.455 0.777 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.325 14.141 0.159 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.058 13.581 1.774 1.00 0.00 H new ATOM 0 HG CYS A 20 1.540 12.306 -1.070 1.00 0.00 H new ATOM 14 N LYS A 21 -1.370 10.363 -1.051 1.00 0.00 N ATOM 15 CA LYS A 21 -1.375 9.785 -2.425 1.00 0.00 C ATOM 16 C LYS A 21 -2.092 8.434 -2.428 1.00 0.00 C ATOM 17 O LYS A 21 -2.554 7.964 -1.407 1.00 0.00 O ATOM 18 CB LYS A 21 0.100 9.612 -2.791 1.00 0.00 C ATOM 19 CG LYS A 21 0.732 8.550 -1.891 1.00 0.00 C ATOM 20 CD LYS A 21 2.013 9.107 -1.266 1.00 0.00 C ATOM 21 CE LYS A 21 2.658 8.037 -0.381 1.00 0.00 C ATOM 22 NZ LYS A 21 2.015 8.202 0.953 1.00 0.00 N ATOM 0 H LYS A 21 -1.684 9.732 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.898 10.423 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.193 9.319 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.627 10.560 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.031 8.257 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.957 7.654 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.708 9.414 -2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.786 9.994 -0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.486 7.038 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.738 8.174 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.406 7.502 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.201 9.160 1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.989 8.059 0.864 1.00 0.00 H new ATOM 36 N MET A 22 -2.188 7.805 -3.566 1.00 0.00 N ATOM 37 CA MET A 22 -2.876 6.487 -3.631 1.00 0.00 C ATOM 38 C MET A 22 -1.915 5.360 -3.243 1.00 0.00 C ATOM 39 O MET A 22 -0.755 5.582 -2.959 1.00 0.00 O ATOM 40 CB MET A 22 -3.327 6.338 -5.090 1.00 0.00 C ATOM 41 CG MET A 22 -2.176 5.799 -5.946 1.00 0.00 C ATOM 42 SD MET A 22 -2.215 6.580 -7.577 1.00 0.00 S ATOM 43 CE MET A 22 -1.837 5.099 -8.546 1.00 0.00 C ATOM 0 H MET A 22 -1.820 8.147 -4.453 1.00 0.00 H new ATOM 0 HA MET A 22 -3.717 6.432 -2.940 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.180 5.662 -5.148 1.00 0.00 H new ATOM 0 HB3 MET A 22 -3.657 7.302 -5.477 1.00 0.00 H new ATOM 0 HG2 MET A 22 -1.222 6.000 -5.458 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.261 4.717 -6.048 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.302 5.384 -9.452 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.217 4.426 -7.954 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.765 4.594 -8.816 1.00 0.00 H new ATOM 53 N PHE A 23 -2.397 4.151 -3.237 1.00 0.00 N ATOM 54 CA PHE A 23 -1.532 2.997 -2.877 1.00 0.00 C ATOM 55 C PHE A 23 -2.029 1.751 -3.613 1.00 0.00 C ATOM 56 O PHE A 23 -3.214 1.562 -3.795 1.00 0.00 O ATOM 57 CB PHE A 23 -1.689 2.868 -1.356 1.00 0.00 C ATOM 58 CG PHE A 23 -1.440 1.446 -0.886 1.00 0.00 C ATOM 59 CD1 PHE A 23 -2.324 0.413 -1.225 1.00 0.00 C ATOM 60 CD2 PHE A 23 -0.327 1.169 -0.086 1.00 0.00 C ATOM 61 CE1 PHE A 23 -2.092 -0.889 -0.769 1.00 0.00 C ATOM 62 CE2 PHE A 23 -0.097 -0.133 0.375 1.00 0.00 C ATOM 63 CZ PHE A 23 -0.980 -1.162 0.032 1.00 0.00 C ATOM 0 H PHE A 23 -3.361 3.911 -3.468 1.00 0.00 H new ATOM 0 HA PHE A 23 -0.486 3.124 -3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.992 3.543 -0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.693 3.177 -1.066 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.187 0.623 -1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.357 1.962 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.773 -1.684 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.762 -0.343 0.995 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.803 -2.167 0.386 1.00 0.00 H new ATOM 73 N ILE A 24 -1.141 0.901 -4.037 1.00 0.00 N ATOM 74 CA ILE A 24 -1.580 -0.328 -4.757 1.00 0.00 C ATOM 75 C ILE A 24 -1.404 -1.545 -3.839 1.00 0.00 C ATOM 76 O ILE A 24 -0.488 -1.603 -3.041 1.00 0.00 O ATOM 77 CB ILE A 24 -0.673 -0.395 -5.991 1.00 0.00 C ATOM 78 CG1 ILE A 24 -1.267 0.470 -7.110 1.00 0.00 C ATOM 79 CG2 ILE A 24 -0.569 -1.838 -6.480 1.00 0.00 C ATOM 80 CD1 ILE A 24 -1.749 1.808 -6.539 1.00 0.00 C ATOM 0 H ILE A 24 -0.133 1.001 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.631 -0.315 -5.047 1.00 0.00 H new ATOM 0 HB ILE A 24 0.318 -0.028 -5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.518 0.644 -7.883 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.098 -0.053 -7.583 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.077 -1.879 -7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.148 -2.460 -5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.561 -2.206 -6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.169 2.415 -7.341 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.513 1.627 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.908 2.335 -6.087 1.00 0.00 H new ATOM 92 N GLY A 25 -2.289 -2.507 -3.921 1.00 0.00 N ATOM 93 CA GLY A 25 -2.178 -3.694 -3.022 1.00 0.00 C ATOM 94 C GLY A 25 -2.307 -4.998 -3.807 1.00 0.00 C ATOM 95 O GLY A 25 -3.295 -5.241 -4.468 1.00 0.00 O ATOM 0 H GLY A 25 -3.078 -2.521 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.219 -3.672 -2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.954 -3.648 -2.258 1.00 0.00 H new ATOM 99 N GLY A 26 -1.319 -5.849 -3.719 1.00 0.00 N ATOM 100 CA GLY A 26 -1.382 -7.152 -4.442 1.00 0.00 C ATOM 101 C GLY A 26 -0.321 -7.183 -5.539 1.00 0.00 C ATOM 102 O GLY A 26 -0.516 -7.758 -6.592 1.00 0.00 O ATOM 0 H GLY A 26 -0.469 -5.697 -3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.222 -7.974 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.372 -7.291 -4.876 1.00 0.00 H new ATOM 106 N LEU A 27 0.796 -6.563 -5.296 1.00 0.00 N ATOM 107 CA LEU A 27 1.885 -6.541 -6.316 1.00 0.00 C ATOM 108 C LEU A 27 2.007 -7.901 -7.007 1.00 0.00 C ATOM 109 O LEU A 27 1.951 -8.937 -6.377 1.00 0.00 O ATOM 110 CB LEU A 27 3.158 -6.233 -5.528 1.00 0.00 C ATOM 111 CG LEU A 27 3.601 -4.799 -5.809 1.00 0.00 C ATOM 112 CD1 LEU A 27 2.425 -3.846 -5.584 1.00 0.00 C ATOM 113 CD2 LEU A 27 4.746 -4.426 -4.867 1.00 0.00 C ATOM 0 H LEU A 27 1.006 -6.066 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 27 1.694 -5.806 -7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.978 -6.366 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.948 -6.930 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 27 3.939 -4.720 -6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.742 -2.823 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.608 -4.111 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.086 -3.924 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.063 -3.402 -5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.408 -4.506 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.585 -5.103 -5.028 1.00 0.00 H new ATOM 125 N SER A 28 2.179 -7.902 -8.300 1.00 0.00 N ATOM 126 CA SER A 28 2.311 -9.194 -9.034 1.00 0.00 C ATOM 127 C SER A 28 3.463 -10.014 -8.450 1.00 0.00 C ATOM 128 O SER A 28 4.059 -9.645 -7.457 1.00 0.00 O ATOM 129 CB SER A 28 2.611 -8.801 -10.479 1.00 0.00 C ATOM 130 OG SER A 28 4.015 -8.648 -10.643 1.00 0.00 O ATOM 0 H SER A 28 2.234 -7.065 -8.881 1.00 0.00 H new ATOM 0 HA SER A 28 1.413 -9.807 -8.958 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.235 -9.564 -11.161 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.101 -7.871 -10.728 1.00 0.00 H new ATOM 0 HG SER A 28 4.211 -8.397 -11.570 1.00 0.00 H new ATOM 136 N TRP A 29 3.783 -11.122 -9.058 1.00 0.00 N ATOM 137 CA TRP A 29 4.898 -11.961 -8.534 1.00 0.00 C ATOM 138 C TRP A 29 6.247 -11.353 -8.925 1.00 0.00 C ATOM 139 O TRP A 29 7.291 -11.924 -8.677 1.00 0.00 O ATOM 140 CB TRP A 29 4.712 -13.330 -9.188 1.00 0.00 C ATOM 141 CG TRP A 29 5.070 -13.247 -10.637 1.00 0.00 C ATOM 142 CD1 TRP A 29 4.219 -12.897 -11.628 1.00 0.00 C ATOM 143 CD2 TRP A 29 6.352 -13.516 -11.274 1.00 0.00 C ATOM 144 NE1 TRP A 29 4.898 -12.932 -12.834 1.00 0.00 N ATOM 145 CE2 TRP A 29 6.216 -13.309 -12.666 1.00 0.00 C ATOM 146 CE3 TRP A 29 7.609 -13.916 -10.782 1.00 0.00 C ATOM 147 CZ2 TRP A 29 7.287 -13.492 -13.541 1.00 0.00 C ATOM 148 CZ3 TRP A 29 8.689 -14.100 -11.660 1.00 0.00 C ATOM 149 CH2 TRP A 29 8.528 -13.888 -13.037 1.00 0.00 C ATOM 0 H TRP A 29 3.322 -11.483 -9.893 1.00 0.00 H new ATOM 0 HA TRP A 29 4.886 -12.029 -7.446 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.339 -14.070 -8.690 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.679 -13.660 -9.077 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.180 -12.633 -11.500 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.477 -12.707 -13.735 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.743 -14.082 -9.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 7.157 -13.329 -14.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.649 -14.407 -11.273 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.363 -14.031 -13.707 1.00 0.00 H new ATOM 160 N GLN A 30 6.238 -10.194 -9.532 1.00 0.00 N ATOM 161 CA GLN A 30 7.522 -9.557 -9.928 1.00 0.00 C ATOM 162 C GLN A 30 7.337 -8.059 -10.196 1.00 0.00 C ATOM 163 O GLN A 30 8.174 -7.424 -10.804 1.00 0.00 O ATOM 164 CB GLN A 30 7.949 -10.278 -11.206 1.00 0.00 C ATOM 165 CG GLN A 30 7.007 -9.902 -12.354 1.00 0.00 C ATOM 166 CD GLN A 30 7.829 -9.602 -13.611 1.00 0.00 C ATOM 167 OE1 GLN A 30 8.203 -8.375 -13.854 1.00 0.00 O flip ATOM 168 NE2 GLN A 30 8.132 -10.493 -14.379 1.00 0.00 N flip ATOM 0 H GLN A 30 5.398 -9.665 -9.768 1.00 0.00 H new ATOM 0 HA GLN A 30 8.269 -9.639 -9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.974 -10.008 -11.461 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.933 -11.356 -11.049 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.310 -10.717 -12.548 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.411 -9.031 -12.080 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.840 -11.452 -14.189 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.679 -10.283 -15.214 1.00 0.00 H new ATOM 177 N THR A 31 6.252 -7.490 -9.754 1.00 0.00 N ATOM 178 CA THR A 31 6.020 -6.047 -9.987 1.00 0.00 C ATOM 179 C THR A 31 7.214 -5.230 -9.489 1.00 0.00 C ATOM 180 O THR A 31 7.972 -5.672 -8.648 1.00 0.00 O ATOM 181 CB THR A 31 4.770 -5.734 -9.173 1.00 0.00 C ATOM 182 OG1 THR A 31 3.684 -6.512 -9.657 1.00 0.00 O ATOM 183 CG2 THR A 31 4.440 -4.257 -9.306 1.00 0.00 C ATOM 0 H THR A 31 5.514 -7.969 -9.239 1.00 0.00 H new ATOM 0 HA THR A 31 5.899 -5.802 -11.042 1.00 0.00 H new ATOM 0 HB THR A 31 4.946 -5.973 -8.124 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.015 -7.168 -10.306 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.546 -4.030 -8.725 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.275 -3.663 -8.935 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.262 -4.017 -10.354 1.00 0.00 H new ATOM 191 N THR A 32 7.390 -4.040 -9.997 1.00 0.00 N ATOM 192 CA THR A 32 8.539 -3.205 -9.539 1.00 0.00 C ATOM 193 C THR A 32 8.169 -1.718 -9.591 1.00 0.00 C ATOM 194 O THR A 32 7.074 -1.353 -9.970 1.00 0.00 O ATOM 195 CB THR A 32 9.684 -3.533 -10.504 1.00 0.00 C ATOM 196 OG1 THR A 32 10.922 -3.192 -9.896 1.00 0.00 O ATOM 197 CG2 THR A 32 9.519 -2.746 -11.803 1.00 0.00 C ATOM 0 H THR A 32 6.793 -3.612 -10.704 1.00 0.00 H new ATOM 0 HA THR A 32 8.820 -3.414 -8.507 1.00 0.00 H new ATOM 0 HB THR A 32 9.666 -4.599 -10.732 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.657 -3.402 -10.510 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.338 -2.987 -12.481 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.571 -3.011 -12.271 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.530 -1.678 -11.585 1.00 0.00 H new ATOM 205 N GLN A 33 9.066 -0.859 -9.191 1.00 0.00 N ATOM 206 CA GLN A 33 8.758 0.599 -9.193 1.00 0.00 C ATOM 207 C GLN A 33 8.485 1.102 -10.606 1.00 0.00 C ATOM 208 O GLN A 33 7.358 1.378 -10.959 1.00 0.00 O ATOM 209 CB GLN A 33 9.992 1.290 -8.604 1.00 0.00 C ATOM 210 CG GLN A 33 10.507 0.497 -7.403 1.00 0.00 C ATOM 211 CD GLN A 33 11.156 1.450 -6.397 1.00 0.00 C ATOM 212 OE1 GLN A 33 11.902 2.332 -6.773 1.00 0.00 O ATOM 213 NE2 GLN A 33 10.902 1.308 -5.125 1.00 0.00 N ATOM 0 H GLN A 33 10.000 -1.104 -8.862 1.00 0.00 H new ATOM 0 HA GLN A 33 7.861 0.811 -8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.772 1.368 -9.361 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.740 2.306 -8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.685 -0.041 -6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.231 -0.249 -7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.276 0.567 -4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.330 1.938 -4.446 1.00 0.00 H new ATOM 222 N GLU A 34 9.492 1.245 -11.421 1.00 0.00 N ATOM 223 CA GLU A 34 9.235 1.746 -12.790 1.00 0.00 C ATOM 224 C GLU A 34 8.107 0.957 -13.429 1.00 0.00 C ATOM 225 O GLU A 34 7.296 1.497 -14.150 1.00 0.00 O ATOM 226 CB GLU A 34 10.530 1.556 -13.560 1.00 0.00 C ATOM 227 CG GLU A 34 10.673 2.733 -14.508 1.00 0.00 C ATOM 228 CD GLU A 34 11.428 2.297 -15.766 1.00 0.00 C ATOM 229 OE1 GLU A 34 10.958 1.387 -16.429 1.00 0.00 O ATOM 230 OE2 GLU A 34 12.462 2.880 -16.045 1.00 0.00 O ATOM 0 H GLU A 34 10.466 1.039 -11.199 1.00 0.00 H new ATOM 0 HA GLU A 34 8.933 2.793 -12.787 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.379 1.508 -12.878 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.513 0.617 -14.114 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.689 3.116 -14.778 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.207 3.546 -14.016 1.00 0.00 H new ATOM 237 N GLY A 35 8.027 -0.307 -13.158 1.00 0.00 N ATOM 238 CA GLY A 35 6.917 -1.094 -13.744 1.00 0.00 C ATOM 239 C GLY A 35 5.619 -0.491 -13.229 1.00 0.00 C ATOM 240 O GLY A 35 4.597 -0.508 -13.887 1.00 0.00 O ATOM 0 H GLY A 35 8.673 -0.826 -12.563 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.953 -1.058 -14.833 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.995 -2.143 -13.457 1.00 0.00 H new ATOM 244 N LEU A 36 5.657 0.087 -12.061 1.00 0.00 N ATOM 245 CA LEU A 36 4.448 0.724 -11.531 1.00 0.00 C ATOM 246 C LEU A 36 4.326 2.103 -12.188 1.00 0.00 C ATOM 247 O LEU A 36 3.257 2.522 -12.585 1.00 0.00 O ATOM 248 CB LEU A 36 4.704 0.806 -10.020 1.00 0.00 C ATOM 249 CG LEU A 36 4.324 2.181 -9.488 1.00 0.00 C ATOM 250 CD1 LEU A 36 2.866 2.468 -9.847 1.00 0.00 C ATOM 251 CD2 LEU A 36 4.504 2.191 -7.973 1.00 0.00 C ATOM 0 H LEU A 36 6.479 0.139 -11.460 1.00 0.00 H new ATOM 0 HA LEU A 36 3.516 0.194 -11.729 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.126 0.038 -9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.755 0.607 -9.812 1.00 0.00 H new ATOM 0 HG LEU A 36 4.959 2.949 -9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.585 3.451 -9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.747 2.448 -10.930 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.225 1.710 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.235 3.172 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.862 1.432 -7.525 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.544 1.976 -7.729 1.00 0.00 H new ATOM 263 N ARG A 37 5.424 2.804 -12.324 1.00 0.00 N ATOM 264 CA ARG A 37 5.367 4.133 -12.975 1.00 0.00 C ATOM 265 C ARG A 37 4.883 3.944 -14.395 1.00 0.00 C ATOM 266 O ARG A 37 4.272 4.807 -14.995 1.00 0.00 O ATOM 267 CB ARG A 37 6.803 4.660 -12.967 1.00 0.00 C ATOM 268 CG ARG A 37 7.431 4.415 -11.599 1.00 0.00 C ATOM 269 CD ARG A 37 8.584 5.393 -11.388 1.00 0.00 C ATOM 270 NE ARG A 37 7.946 6.635 -10.870 1.00 0.00 N ATOM 271 CZ ARG A 37 8.408 7.801 -11.226 1.00 0.00 C ATOM 272 NH1 ARG A 37 9.674 8.076 -11.078 1.00 0.00 N ATOM 273 NH2 ARG A 37 7.602 8.695 -11.733 1.00 0.00 N ATOM 0 H ARG A 37 6.349 2.509 -12.012 1.00 0.00 H new ATOM 0 HA ARG A 37 4.695 4.826 -12.469 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.388 4.163 -13.741 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.811 5.726 -13.196 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.684 4.542 -10.816 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.793 3.389 -11.531 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.312 4.998 -10.679 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.117 5.582 -12.320 1.00 0.00 H new ATOM 0 HE ARG A 37 7.148 6.573 -10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.305 7.378 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.034 8.989 -11.357 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.612 8.481 -11.850 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.963 9.607 -12.012 1.00 0.00 H new ATOM 287 N GLU A 38 5.154 2.797 -14.920 1.00 0.00 N ATOM 288 CA GLU A 38 4.729 2.479 -16.292 1.00 0.00 C ATOM 289 C GLU A 38 3.308 1.906 -16.257 1.00 0.00 C ATOM 290 O GLU A 38 2.632 1.832 -17.263 1.00 0.00 O ATOM 291 CB GLU A 38 5.771 1.460 -16.801 1.00 0.00 C ATOM 292 CG GLU A 38 5.260 0.025 -16.655 1.00 0.00 C ATOM 293 CD GLU A 38 4.615 -0.430 -17.966 1.00 0.00 C ATOM 294 OE1 GLU A 38 4.990 0.094 -19.002 1.00 0.00 O ATOM 295 OE2 GLU A 38 3.756 -1.294 -17.911 1.00 0.00 O ATOM 0 H GLU A 38 5.663 2.051 -14.445 1.00 0.00 H new ATOM 0 HA GLU A 38 4.690 3.344 -16.954 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.000 1.662 -17.847 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.700 1.576 -16.243 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.084 -0.640 -16.394 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.535 -0.032 -15.843 1.00 0.00 H new ATOM 302 N TYR A 39 2.850 1.501 -15.095 1.00 0.00 N ATOM 303 CA TYR A 39 1.482 0.937 -15.001 1.00 0.00 C ATOM 304 C TYR A 39 0.448 2.049 -14.796 1.00 0.00 C ATOM 305 O TYR A 39 -0.602 2.053 -15.408 1.00 0.00 O ATOM 306 CB TYR A 39 1.508 0.008 -13.792 1.00 0.00 C ATOM 307 CG TYR A 39 0.180 -0.704 -13.701 1.00 0.00 C ATOM 308 CD1 TYR A 39 -0.968 0.007 -13.336 1.00 0.00 C ATOM 309 CD2 TYR A 39 0.093 -2.070 -13.996 1.00 0.00 C ATOM 310 CE1 TYR A 39 -2.203 -0.645 -13.263 1.00 0.00 C ATOM 311 CE2 TYR A 39 -1.144 -2.723 -13.925 1.00 0.00 C ATOM 312 CZ TYR A 39 -2.292 -2.010 -13.558 1.00 0.00 C ATOM 313 OH TYR A 39 -3.511 -2.654 -13.489 1.00 0.00 O ATOM 0 H TYR A 39 3.368 1.540 -14.217 1.00 0.00 H new ATOM 0 HA TYR A 39 1.202 0.411 -15.914 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.318 -0.715 -13.888 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.695 0.578 -12.882 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.900 1.061 -13.110 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.979 -2.620 -14.278 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.088 -0.095 -12.979 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.212 -3.776 -14.153 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.981 -2.556 -14.343 1.00 0.00 H new ATOM 323 N PHE A 40 0.738 2.990 -13.944 1.00 0.00 N ATOM 324 CA PHE A 40 -0.223 4.104 -13.703 1.00 0.00 C ATOM 325 C PHE A 40 0.241 5.341 -14.467 1.00 0.00 C ATOM 326 O PHE A 40 -0.554 6.121 -14.954 1.00 0.00 O ATOM 327 CB PHE A 40 -0.188 4.357 -12.192 1.00 0.00 C ATOM 328 CG PHE A 40 -1.005 3.301 -11.481 1.00 0.00 C ATOM 329 CD1 PHE A 40 -2.402 3.412 -11.416 1.00 0.00 C ATOM 330 CD2 PHE A 40 -0.364 2.206 -10.889 1.00 0.00 C ATOM 331 CE1 PHE A 40 -3.151 2.431 -10.762 1.00 0.00 C ATOM 332 CE2 PHE A 40 -1.117 1.223 -10.235 1.00 0.00 C ATOM 333 CZ PHE A 40 -2.510 1.336 -10.173 1.00 0.00 C ATOM 0 H PHE A 40 1.601 3.037 -13.402 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.232 3.867 -14.039 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.841 4.337 -11.834 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.584 5.348 -11.970 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.898 4.256 -11.872 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.711 2.119 -10.937 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.226 2.518 -10.711 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.623 0.378 -9.779 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.091 0.577 -9.670 1.00 0.00 H new ATOM 343 N GLY A 41 1.528 5.518 -14.588 1.00 0.00 N ATOM 344 CA GLY A 41 2.045 6.695 -15.336 1.00 0.00 C ATOM 345 C GLY A 41 1.523 6.628 -16.770 1.00 0.00 C ATOM 346 O GLY A 41 1.533 7.602 -17.495 1.00 0.00 O ATOM 0 H GLY A 41 2.241 4.899 -14.202 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.721 7.619 -14.858 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.135 6.698 -15.330 1.00 0.00 H new ATOM 350 N GLN A 42 1.062 5.476 -17.181 1.00 0.00 N ATOM 351 CA GLN A 42 0.533 5.334 -18.561 1.00 0.00 C ATOM 352 C GLN A 42 -0.675 6.252 -18.754 1.00 0.00 C ATOM 353 O GLN A 42 -0.790 6.952 -19.740 1.00 0.00 O ATOM 354 CB GLN A 42 0.119 3.866 -18.678 1.00 0.00 C ATOM 355 CG GLN A 42 -0.590 3.641 -20.015 1.00 0.00 C ATOM 356 CD GLN A 42 -0.534 2.156 -20.378 1.00 0.00 C ATOM 357 OE1 GLN A 42 -1.430 1.404 -20.050 1.00 0.00 O ATOM 358 NE2 GLN A 42 0.489 1.699 -21.047 1.00 0.00 N ATOM 0 H GLN A 42 1.031 4.628 -16.616 1.00 0.00 H new ATOM 0 HA GLN A 42 1.267 5.609 -19.319 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.996 3.223 -18.607 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.542 3.597 -17.854 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.627 3.971 -19.949 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.115 4.235 -20.795 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.241 2.330 -21.323 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.536 0.711 -21.294 1.00 0.00 H new ATOM 367 N PHE A 43 -1.572 6.257 -17.808 1.00 0.00 N ATOM 368 CA PHE A 43 -2.772 7.133 -17.920 1.00 0.00 C ATOM 369 C PHE A 43 -2.808 8.121 -16.752 1.00 0.00 C ATOM 370 O PHE A 43 -3.671 8.971 -16.669 1.00 0.00 O ATOM 371 CB PHE A 43 -3.969 6.181 -17.861 1.00 0.00 C ATOM 372 CG PHE A 43 -3.848 5.286 -16.652 1.00 0.00 C ATOM 373 CD1 PHE A 43 -3.940 5.830 -15.366 1.00 0.00 C ATOM 374 CD2 PHE A 43 -3.644 3.911 -16.818 1.00 0.00 C ATOM 375 CE1 PHE A 43 -3.828 4.999 -14.246 1.00 0.00 C ATOM 376 CE2 PHE A 43 -3.532 3.080 -15.697 1.00 0.00 C ATOM 377 CZ PHE A 43 -3.624 3.625 -14.411 1.00 0.00 C ATOM 0 H PHE A 43 -1.526 5.691 -16.960 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.772 7.723 -18.837 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.897 6.751 -17.812 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.012 5.579 -18.768 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.097 6.891 -15.238 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.573 3.491 -17.811 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.899 5.419 -13.253 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.375 2.019 -15.824 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.537 2.984 -13.546 1.00 0.00 H new ATOM 387 N GLY A 44 -1.872 8.017 -15.847 1.00 0.00 N ATOM 388 CA GLY A 44 -1.848 8.950 -14.685 1.00 0.00 C ATOM 389 C GLY A 44 -0.410 9.396 -14.420 1.00 0.00 C ATOM 390 O GLY A 44 0.331 8.739 -13.716 1.00 0.00 O ATOM 0 H GLY A 44 -1.123 7.325 -15.863 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.477 9.817 -14.888 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.256 8.459 -13.802 1.00 0.00 H new ATOM 394 N GLU A 45 -0.009 10.506 -14.982 1.00 0.00 N ATOM 395 CA GLU A 45 1.383 10.999 -14.768 1.00 0.00 C ATOM 396 C GLU A 45 1.802 10.780 -13.312 1.00 0.00 C ATOM 397 O GLU A 45 1.360 11.475 -12.419 1.00 0.00 O ATOM 398 CB GLU A 45 1.329 12.492 -15.091 1.00 0.00 C ATOM 399 CG GLU A 45 0.919 12.685 -16.552 1.00 0.00 C ATOM 400 CD GLU A 45 1.917 13.613 -17.245 1.00 0.00 C ATOM 401 OE1 GLU A 45 2.946 13.126 -17.683 1.00 0.00 O ATOM 402 OE2 GLU A 45 1.635 14.798 -17.328 1.00 0.00 O ATOM 0 H GLU A 45 -0.588 11.094 -15.582 1.00 0.00 H new ATOM 0 HA GLU A 45 2.108 10.474 -15.390 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.617 12.991 -14.434 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.302 12.949 -14.912 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.887 11.722 -17.062 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.084 13.107 -16.606 1.00 0.00 H new ATOM 409 N VAL A 46 2.647 9.817 -13.066 1.00 0.00 N ATOM 410 CA VAL A 46 3.083 9.546 -11.667 1.00 0.00 C ATOM 411 C VAL A 46 4.315 10.387 -11.318 1.00 0.00 C ATOM 412 O VAL A 46 5.315 10.360 -12.006 1.00 0.00 O ATOM 413 CB VAL A 46 3.424 8.057 -11.648 1.00 0.00 C ATOM 414 CG1 VAL A 46 4.175 7.720 -10.359 1.00 0.00 C ATOM 415 CG2 VAL A 46 2.129 7.240 -11.714 1.00 0.00 C ATOM 0 H VAL A 46 3.055 9.206 -13.774 1.00 0.00 H new ATOM 0 HA VAL A 46 2.315 9.801 -10.937 1.00 0.00 H new ATOM 0 HB VAL A 46 4.052 7.816 -12.505 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.418 6.657 -10.347 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.095 8.303 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.548 7.959 -9.500 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.369 6.177 -11.701 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.502 7.482 -10.856 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.594 7.480 -12.633 1.00 0.00 H new ATOM 425 N LYS A 47 4.248 11.134 -10.246 1.00 0.00 N ATOM 426 CA LYS A 47 5.414 11.975 -9.851 1.00 0.00 C ATOM 427 C LYS A 47 6.217 11.275 -8.753 1.00 0.00 C ATOM 428 O LYS A 47 7.420 11.421 -8.660 1.00 0.00 O ATOM 429 CB LYS A 47 4.807 13.275 -9.322 1.00 0.00 C ATOM 430 CG LYS A 47 5.925 14.282 -9.039 1.00 0.00 C ATOM 431 CD LYS A 47 5.354 15.702 -9.067 1.00 0.00 C ATOM 432 CE LYS A 47 6.487 16.712 -8.881 1.00 0.00 C ATOM 433 NZ LYS A 47 6.836 16.635 -7.435 1.00 0.00 N ATOM 0 H LYS A 47 3.438 11.197 -9.629 1.00 0.00 H new ATOM 0 HA LYS A 47 6.095 12.154 -10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.109 13.686 -10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.240 13.080 -8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.374 14.079 -8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.716 14.182 -9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.844 15.882 -10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.612 15.823 -8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.344 16.464 -9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.169 17.717 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.808 17.588 -7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.152 16.024 -6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.792 16.239 -7.329 1.00 0.00 H new ATOM 447 N GLU A 48 5.561 10.512 -7.923 1.00 0.00 N ATOM 448 CA GLU A 48 6.288 9.799 -6.833 1.00 0.00 C ATOM 449 C GLU A 48 5.567 8.498 -6.478 1.00 0.00 C ATOM 450 O GLU A 48 4.359 8.457 -6.355 1.00 0.00 O ATOM 451 CB GLU A 48 6.275 10.756 -5.643 1.00 0.00 C ATOM 452 CG GLU A 48 7.676 10.828 -5.030 1.00 0.00 C ATOM 453 CD GLU A 48 7.950 12.252 -4.541 1.00 0.00 C ATOM 454 OE1 GLU A 48 7.041 13.064 -4.604 1.00 0.00 O ATOM 455 OE2 GLU A 48 9.063 12.506 -4.112 1.00 0.00 O ATOM 0 H GLU A 48 4.554 10.351 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 48 7.303 9.533 -7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.955 11.748 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.557 10.416 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.757 10.126 -4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.423 10.536 -5.769 1.00 0.00 H new ATOM 462 N CYS A 49 6.300 7.435 -6.313 1.00 0.00 N ATOM 463 CA CYS A 49 5.663 6.131 -5.964 1.00 0.00 C ATOM 464 C CYS A 49 6.630 5.280 -5.140 1.00 0.00 C ATOM 465 O CYS A 49 7.808 5.570 -5.057 1.00 0.00 O ATOM 466 CB CYS A 49 5.373 5.461 -7.306 1.00 0.00 C ATOM 467 SG CYS A 49 6.933 5.100 -8.149 1.00 0.00 S ATOM 0 H CYS A 49 7.316 7.410 -6.404 1.00 0.00 H new ATOM 0 HA CYS A 49 4.759 6.257 -5.368 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.810 4.541 -7.151 1.00 0.00 H new ATOM 0 HB3 CYS A 49 4.755 6.113 -7.924 1.00 0.00 H new ATOM 0 HG CYS A 49 6.857 3.935 -8.722 1.00 0.00 H new ATOM 473 N LEU A 50 6.152 4.231 -4.528 1.00 0.00 N ATOM 474 CA LEU A 50 7.065 3.377 -3.718 1.00 0.00 C ATOM 475 C LEU A 50 6.577 1.921 -3.705 1.00 0.00 C ATOM 476 O LEU A 50 5.455 1.637 -3.359 1.00 0.00 O ATOM 477 CB LEU A 50 7.057 4.019 -2.317 1.00 0.00 C ATOM 478 CG LEU A 50 6.293 3.163 -1.298 1.00 0.00 C ATOM 479 CD1 LEU A 50 7.101 1.909 -0.969 1.00 0.00 C ATOM 480 CD2 LEU A 50 6.080 3.983 -0.025 1.00 0.00 C ATOM 0 H LEU A 50 5.178 3.931 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 50 8.076 3.332 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.083 4.159 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.602 5.008 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 50 5.330 2.867 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.555 1.304 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.261 1.330 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.064 2.197 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.538 3.384 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.047 4.272 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.504 4.878 -0.261 1.00 0.00 H new ATOM 492 N VAL A 51 7.419 0.995 -4.069 1.00 0.00 N ATOM 493 CA VAL A 51 6.992 -0.436 -4.061 1.00 0.00 C ATOM 494 C VAL A 51 7.776 -1.210 -3.000 1.00 0.00 C ATOM 495 O VAL A 51 8.947 -0.971 -2.785 1.00 0.00 O ATOM 496 CB VAL A 51 7.311 -0.966 -5.458 1.00 0.00 C ATOM 497 CG1 VAL A 51 6.985 -2.460 -5.521 1.00 0.00 C ATOM 498 CG2 VAL A 51 6.462 -0.219 -6.488 1.00 0.00 C ATOM 0 H VAL A 51 8.379 1.163 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 51 5.934 -0.547 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 51 8.368 -0.813 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.212 -2.840 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.584 -2.994 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.927 -2.611 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.687 -0.595 -7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.405 -0.376 -6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.688 0.846 -6.442 1.00 0.00 H new ATOM 508 N MET A 52 7.138 -2.128 -2.329 1.00 0.00 N ATOM 509 CA MET A 52 7.850 -2.901 -1.279 1.00 0.00 C ATOM 510 C MET A 52 7.341 -4.347 -1.243 1.00 0.00 C ATOM 511 O MET A 52 6.169 -4.615 -1.429 1.00 0.00 O ATOM 512 CB MET A 52 7.528 -2.147 0.018 1.00 0.00 C ATOM 513 CG MET A 52 7.286 -3.121 1.169 1.00 0.00 C ATOM 514 SD MET A 52 7.660 -2.302 2.739 1.00 0.00 S ATOM 515 CE MET A 52 9.367 -1.838 2.352 1.00 0.00 C ATOM 0 H MET A 52 6.157 -2.374 -2.463 1.00 0.00 H new ATOM 0 HA MET A 52 8.924 -2.973 -1.449 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.352 -1.479 0.269 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.646 -1.524 -0.128 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.250 -3.460 1.161 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.912 -4.005 1.049 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.971 -1.883 3.258 1.00 0.00 H new ATOM 0 HE2 MET A 52 9.772 -2.527 1.611 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.387 -0.824 1.953 1.00 0.00 H new ATOM 525 N ARG A 53 8.224 -5.273 -0.997 1.00 0.00 N ATOM 526 CA ARG A 53 7.824 -6.699 -0.934 1.00 0.00 C ATOM 527 C ARG A 53 8.757 -7.471 0.006 1.00 0.00 C ATOM 528 O ARG A 53 9.959 -7.302 -0.022 1.00 0.00 O ATOM 529 CB ARG A 53 7.954 -7.213 -2.368 1.00 0.00 C ATOM 530 CG ARG A 53 9.415 -7.119 -2.812 1.00 0.00 C ATOM 531 CD ARG A 53 10.008 -8.525 -2.915 1.00 0.00 C ATOM 532 NE ARG A 53 10.246 -8.736 -4.370 1.00 0.00 N ATOM 533 CZ ARG A 53 11.063 -9.671 -4.768 1.00 0.00 C ATOM 534 NH1 ARG A 53 12.351 -9.476 -4.717 1.00 0.00 N ATOM 535 NH2 ARG A 53 10.590 -10.802 -5.217 1.00 0.00 N ATOM 0 H ARG A 53 9.216 -5.097 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 53 6.813 -6.827 -0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.610 -8.246 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.322 -6.627 -3.035 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.482 -6.613 -3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.985 -6.524 -2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.935 -8.605 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.323 -9.273 -2.514 1.00 0.00 H new ATOM 0 HE ARG A 53 9.770 -8.149 -5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.719 -8.592 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.990 -10.207 -5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.582 -10.954 -5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.228 -11.534 -5.529 1.00 0.00 H new ATOM 549 N ASP A 54 8.213 -8.321 0.834 1.00 0.00 N ATOM 550 CA ASP A 54 9.071 -9.108 1.771 1.00 0.00 C ATOM 551 C ASP A 54 8.188 -9.880 2.766 1.00 0.00 C ATOM 552 O ASP A 54 7.402 -9.283 3.474 1.00 0.00 O ATOM 553 CB ASP A 54 9.920 -8.067 2.507 1.00 0.00 C ATOM 554 CG ASP A 54 11.402 -8.412 2.351 1.00 0.00 C ATOM 555 OD1 ASP A 54 11.691 -9.502 1.885 1.00 0.00 O ATOM 556 OD2 ASP A 54 12.224 -7.582 2.703 1.00 0.00 O ATOM 0 H ASP A 54 7.212 -8.506 0.904 1.00 0.00 H new ATOM 0 HA ASP A 54 9.688 -9.840 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.723 -7.073 2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.651 -8.044 3.563 1.00 0.00 H new ATOM 561 N PRO A 55 8.335 -11.186 2.791 1.00 0.00 N ATOM 562 CA PRO A 55 7.526 -12.023 3.709 1.00 0.00 C ATOM 563 C PRO A 55 7.793 -11.647 5.170 1.00 0.00 C ATOM 564 O PRO A 55 8.385 -12.399 5.918 1.00 0.00 O ATOM 565 CB PRO A 55 8.022 -13.440 3.402 1.00 0.00 C ATOM 566 CG PRO A 55 9.103 -13.360 2.307 1.00 0.00 C ATOM 567 CD PRO A 55 9.303 -11.889 1.917 1.00 0.00 C ATOM 0 HA PRO A 55 6.451 -11.905 3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.429 -13.901 4.302 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.194 -14.066 3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.039 -13.785 2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.803 -13.944 1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.326 -11.558 2.097 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.094 -11.718 0.861 1.00 0.00 H new ATOM 575 N LEU A 56 7.356 -10.487 5.582 1.00 0.00 N ATOM 576 CA LEU A 56 7.574 -10.058 6.983 1.00 0.00 C ATOM 577 C LEU A 56 6.255 -9.576 7.589 1.00 0.00 C ATOM 578 O LEU A 56 5.741 -10.153 8.528 1.00 0.00 O ATOM 579 CB LEU A 56 8.575 -8.903 6.904 1.00 0.00 C ATOM 580 CG LEU A 56 9.649 -9.217 5.863 1.00 0.00 C ATOM 581 CD1 LEU A 56 10.696 -8.101 5.852 1.00 0.00 C ATOM 582 CD2 LEU A 56 10.323 -10.546 6.209 1.00 0.00 C ATOM 0 H LEU A 56 6.854 -9.817 4.999 1.00 0.00 H new ATOM 0 HA LEU A 56 7.944 -10.870 7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.059 -7.980 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.036 -8.743 7.878 1.00 0.00 H new ATOM 0 HG LEU A 56 9.187 -9.289 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.461 -8.327 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.216 -7.155 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.158 -8.025 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.089 -10.770 5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.783 -10.475 7.195 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.578 -11.342 6.213 1.00 0.00 H new ATOM 594 N THR A 57 5.703 -8.523 7.053 1.00 0.00 N ATOM 595 CA THR A 57 4.412 -8.000 7.593 1.00 0.00 C ATOM 596 C THR A 57 3.862 -6.884 6.699 1.00 0.00 C ATOM 597 O THR A 57 2.746 -6.948 6.226 1.00 0.00 O ATOM 598 CB THR A 57 4.736 -7.469 8.996 1.00 0.00 C ATOM 599 OG1 THR A 57 3.718 -6.563 9.398 1.00 0.00 O ATOM 600 CG2 THR A 57 6.089 -6.747 9.002 1.00 0.00 C ATOM 0 H THR A 57 6.088 -8.001 6.266 1.00 0.00 H new ATOM 0 HA THR A 57 3.646 -8.775 7.626 1.00 0.00 H new ATOM 0 HB THR A 57 4.786 -8.310 9.688 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.919 -6.222 10.294 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.300 -6.378 10.006 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.873 -7.441 8.698 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.057 -5.908 8.307 1.00 0.00 H new ATOM 608 N LYS A 58 4.637 -5.865 6.462 1.00 0.00 N ATOM 609 CA LYS A 58 4.166 -4.750 5.601 1.00 0.00 C ATOM 610 C LYS A 58 4.451 -5.084 4.140 1.00 0.00 C ATOM 611 O LYS A 58 3.634 -4.879 3.264 1.00 0.00 O ATOM 612 CB LYS A 58 4.979 -3.528 6.032 1.00 0.00 C ATOM 613 CG LYS A 58 5.065 -3.468 7.558 1.00 0.00 C ATOM 614 CD LYS A 58 6.150 -2.473 7.965 1.00 0.00 C ATOM 615 CE LYS A 58 6.706 -2.858 9.337 1.00 0.00 C ATOM 616 NZ LYS A 58 6.734 -1.585 10.110 1.00 0.00 N ATOM 0 H LYS A 58 5.582 -5.757 6.830 1.00 0.00 H new ATOM 0 HA LYS A 58 3.095 -4.573 5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.981 -3.578 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.515 -2.619 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.104 -3.167 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.292 -4.455 7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.950 -2.468 7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.739 -1.464 7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.076 -3.602 9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.703 -3.291 9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.104 -1.767 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.347 -0.898 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.770 -1.200 10.180 1.00 0.00 H new ATOM 630 N ARG A 59 5.609 -5.615 3.887 1.00 0.00 N ATOM 631 CA ARG A 59 5.983 -5.996 2.492 1.00 0.00 C ATOM 632 C ARG A 59 5.398 -7.368 2.209 1.00 0.00 C ATOM 633 O ARG A 59 5.076 -7.719 1.094 1.00 0.00 O ATOM 634 CB ARG A 59 7.517 -6.082 2.460 1.00 0.00 C ATOM 635 CG ARG A 59 8.145 -5.185 3.528 1.00 0.00 C ATOM 636 CD ARG A 59 8.660 -6.055 4.676 1.00 0.00 C ATOM 637 NE ARG A 59 8.466 -5.229 5.899 1.00 0.00 N ATOM 638 CZ ARG A 59 9.394 -4.397 6.278 1.00 0.00 C ATOM 639 NH1 ARG A 59 9.415 -3.183 5.800 1.00 0.00 N ATOM 640 NH2 ARG A 59 10.301 -4.778 7.135 1.00 0.00 N ATOM 0 H ARG A 59 6.323 -5.805 4.590 1.00 0.00 H new ATOM 0 HA ARG A 59 5.616 -5.282 1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.829 -7.114 2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.880 -5.788 1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.963 -4.606 3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.410 -4.471 3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.107 -6.992 4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.710 -6.313 4.536 1.00 0.00 H new ATOM 0 HE ARG A 59 7.606 -5.314 6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.705 -2.886 5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.141 -2.531 6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.283 -5.727 7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.028 -4.127 7.432 1.00 0.00 H new ATOM 654 N SER A 60 5.278 -8.143 3.240 1.00 0.00 N ATOM 655 CA SER A 60 4.723 -9.518 3.102 1.00 0.00 C ATOM 656 C SER A 60 3.550 -9.542 2.120 1.00 0.00 C ATOM 657 O SER A 60 3.263 -10.551 1.508 1.00 0.00 O ATOM 658 CB SER A 60 4.231 -9.872 4.500 1.00 0.00 C ATOM 659 OG SER A 60 3.774 -11.218 4.513 1.00 0.00 O ATOM 0 H SER A 60 5.544 -7.883 4.190 1.00 0.00 H new ATOM 0 HA SER A 60 5.466 -10.218 2.720 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.035 -9.742 5.224 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.425 -9.200 4.795 1.00 0.00 H new ATOM 0 HG SER A 60 3.459 -11.448 5.412 1.00 0.00 H new ATOM 665 N ARG A 61 2.860 -8.446 1.974 1.00 0.00 N ATOM 666 CA ARG A 61 1.697 -8.421 1.041 1.00 0.00 C ATOM 667 C ARG A 61 2.129 -7.921 -0.335 1.00 0.00 C ATOM 668 O ARG A 61 1.432 -8.093 -1.317 1.00 0.00 O ATOM 669 CB ARG A 61 0.701 -7.450 1.678 1.00 0.00 C ATOM 670 CG ARG A 61 -0.289 -8.231 2.547 1.00 0.00 C ATOM 671 CD ARG A 61 -0.425 -7.544 3.908 1.00 0.00 C ATOM 672 NE ARG A 61 -1.797 -6.967 3.909 1.00 0.00 N ATOM 673 CZ ARG A 61 -1.960 -5.673 3.855 1.00 0.00 C ATOM 674 NH1 ARG A 61 -1.709 -5.030 2.748 1.00 0.00 N ATOM 675 NH2 ARG A 61 -2.375 -5.023 4.907 1.00 0.00 N ATOM 0 H ARG A 61 3.049 -7.568 2.458 1.00 0.00 H new ATOM 0 HA ARG A 61 1.266 -9.411 0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.231 -6.714 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.166 -6.900 0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.260 -8.282 2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.056 -9.257 2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.294 -8.254 4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.330 -6.768 4.037 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.609 -7.582 3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.386 -5.538 1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.836 -4.019 2.705 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.572 -5.526 5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.502 -4.012 4.864 1.00 0.00 H new ATOM 689 N GLY A 62 3.267 -7.296 -0.417 1.00 0.00 N ATOM 690 CA GLY A 62 3.733 -6.779 -1.726 1.00 0.00 C ATOM 691 C GLY A 62 2.774 -5.688 -2.179 1.00 0.00 C ATOM 692 O GLY A 62 1.778 -5.949 -2.819 1.00 0.00 O ATOM 0 H GLY A 62 3.894 -7.121 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.745 -6.383 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.768 -7.583 -2.461 1.00 0.00 H new ATOM 696 N PHE A 63 3.052 -4.466 -1.840 1.00 0.00 N ATOM 697 CA PHE A 63 2.136 -3.367 -2.253 1.00 0.00 C ATOM 698 C PHE A 63 2.930 -2.212 -2.856 1.00 0.00 C ATOM 699 O PHE A 63 4.070 -2.366 -3.243 1.00 0.00 O ATOM 700 CB PHE A 63 1.437 -2.922 -0.974 1.00 0.00 C ATOM 701 CG PHE A 63 2.447 -2.304 -0.037 1.00 0.00 C ATOM 702 CD1 PHE A 63 2.735 -0.936 -0.122 1.00 0.00 C ATOM 703 CD2 PHE A 63 3.098 -3.098 0.915 1.00 0.00 C ATOM 704 CE1 PHE A 63 3.673 -0.364 0.745 1.00 0.00 C ATOM 705 CE2 PHE A 63 4.037 -2.525 1.782 1.00 0.00 C ATOM 706 CZ PHE A 63 4.324 -1.157 1.697 1.00 0.00 C ATOM 0 H PHE A 63 3.867 -4.178 -1.299 1.00 0.00 H new ATOM 0 HA PHE A 63 1.425 -3.694 -3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.653 -2.202 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.955 -3.774 -0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.234 -0.323 -0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.876 -4.153 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.895 0.691 0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.539 -3.138 2.516 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.047 -0.714 2.366 1.00 0.00 H new ATOM 716 N GLY A 64 2.339 -1.053 -2.940 1.00 0.00 N ATOM 717 CA GLY A 64 3.076 0.100 -3.524 1.00 0.00 C ATOM 718 C GLY A 64 2.346 1.414 -3.229 1.00 0.00 C ATOM 719 O GLY A 64 1.262 1.434 -2.682 1.00 0.00 O ATOM 0 H GLY A 64 1.387 -0.856 -2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.085 0.139 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.175 -0.033 -4.601 1.00 0.00 H new ATOM 723 N PHE A 65 2.949 2.512 -3.601 1.00 0.00 N ATOM 724 CA PHE A 65 2.335 3.849 -3.369 1.00 0.00 C ATOM 725 C PHE A 65 2.503 4.698 -4.626 1.00 0.00 C ATOM 726 O PHE A 65 3.497 4.597 -5.318 1.00 0.00 O ATOM 727 CB PHE A 65 3.140 4.455 -2.223 1.00 0.00 C ATOM 728 CG PHE A 65 2.514 4.093 -0.895 1.00 0.00 C ATOM 729 CD1 PHE A 65 1.273 4.632 -0.524 1.00 0.00 C ATOM 730 CD2 PHE A 65 3.189 3.232 -0.022 1.00 0.00 C ATOM 731 CE1 PHE A 65 0.717 4.310 0.720 1.00 0.00 C ATOM 732 CE2 PHE A 65 2.630 2.908 1.217 1.00 0.00 C ATOM 733 CZ PHE A 65 1.398 3.448 1.589 1.00 0.00 C ATOM 0 H PHE A 65 3.857 2.537 -4.064 1.00 0.00 H new ATOM 0 HA PHE A 65 1.271 3.792 -3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.167 4.093 -2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.180 5.539 -2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.748 5.294 -1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.145 2.817 -0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.237 4.726 1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.151 2.240 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.969 3.201 2.549 1.00 0.00 H new ATOM 743 N VAL A 66 1.551 5.529 -4.938 1.00 0.00 N ATOM 744 CA VAL A 66 1.682 6.364 -6.164 1.00 0.00 C ATOM 745 C VAL A 66 0.948 7.696 -5.989 1.00 0.00 C ATOM 746 O VAL A 66 -0.094 7.765 -5.371 1.00 0.00 O ATOM 747 CB VAL A 66 1.047 5.520 -7.266 1.00 0.00 C ATOM 748 CG1 VAL A 66 1.335 6.149 -8.631 1.00 0.00 C ATOM 749 CG2 VAL A 66 1.640 4.107 -7.218 1.00 0.00 C ATOM 0 H VAL A 66 0.694 5.667 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 66 2.717 6.620 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.032 5.474 -7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.880 5.543 -9.414 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.918 7.156 -8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.412 6.197 -8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.191 3.497 -8.002 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.718 4.159 -7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.433 3.658 -6.247 1.00 0.00 H new ATOM 759 N THR A 67 1.490 8.756 -6.523 1.00 0.00 N ATOM 760 CA THR A 67 0.829 10.085 -6.381 1.00 0.00 C ATOM 761 C THR A 67 0.872 10.844 -7.709 1.00 0.00 C ATOM 762 O THR A 67 1.412 11.929 -7.792 1.00 0.00 O ATOM 763 CB THR A 67 1.658 10.822 -5.327 1.00 0.00 C ATOM 764 OG1 THR A 67 2.118 9.897 -4.352 1.00 0.00 O ATOM 765 CG2 THR A 67 0.796 11.893 -4.655 1.00 0.00 C ATOM 0 H THR A 67 2.362 8.760 -7.052 1.00 0.00 H new ATOM 0 HA THR A 67 -0.220 9.996 -6.097 1.00 0.00 H new ATOM 0 HB THR A 67 2.515 11.297 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.041 10.115 -4.104 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.387 12.418 -3.904 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.448 12.604 -5.405 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.062 11.422 -4.176 1.00 0.00 H new ATOM 773 N PHE A 68 0.316 10.287 -8.750 1.00 0.00 N ATOM 774 CA PHE A 68 0.349 10.997 -10.060 1.00 0.00 C ATOM 775 C PHE A 68 -0.439 12.309 -9.981 1.00 0.00 C ATOM 776 O PHE A 68 -0.941 12.681 -8.939 1.00 0.00 O ATOM 777 CB PHE A 68 -0.275 10.034 -11.084 1.00 0.00 C ATOM 778 CG PHE A 68 -1.516 9.355 -10.535 1.00 0.00 C ATOM 779 CD1 PHE A 68 -2.243 9.920 -9.476 1.00 0.00 C ATOM 780 CD2 PHE A 68 -1.947 8.150 -11.109 1.00 0.00 C ATOM 781 CE1 PHE A 68 -3.395 9.281 -8.998 1.00 0.00 C ATOM 782 CE2 PHE A 68 -3.096 7.511 -10.627 1.00 0.00 C ATOM 783 CZ PHE A 68 -3.820 8.078 -9.572 1.00 0.00 C ATOM 0 H PHE A 68 -0.154 9.382 -8.752 1.00 0.00 H new ATOM 0 HA PHE A 68 1.367 11.263 -10.346 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.532 10.583 -11.990 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.458 9.278 -11.366 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.915 10.847 -9.029 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.391 7.714 -11.925 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.956 9.718 -8.185 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.423 6.581 -11.069 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.707 7.587 -9.201 1.00 0.00 H new ATOM 793 N MET A 69 -0.544 13.017 -11.071 1.00 0.00 N ATOM 794 CA MET A 69 -1.293 14.307 -11.051 1.00 0.00 C ATOM 795 C MET A 69 -2.194 14.416 -12.284 1.00 0.00 C ATOM 796 O MET A 69 -2.119 15.366 -13.038 1.00 0.00 O ATOM 797 CB MET A 69 -0.214 15.391 -11.076 1.00 0.00 C ATOM 798 CG MET A 69 -0.852 16.755 -10.804 1.00 0.00 C ATOM 799 SD MET A 69 -0.199 17.429 -9.256 1.00 0.00 S ATOM 800 CE MET A 69 -1.463 16.744 -8.157 1.00 0.00 C ATOM 0 H MET A 69 -0.145 12.760 -11.974 1.00 0.00 H new ATOM 0 HA MET A 69 -1.940 14.396 -10.178 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.547 15.178 -10.326 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.286 15.399 -12.044 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.642 17.437 -11.628 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.936 16.656 -10.741 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.252 17.041 -7.130 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.443 17.121 -8.450 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.456 15.656 -8.228 1.00 0.00 H new ATOM 810 N ASP A 70 -3.044 13.448 -12.494 1.00 0.00 N ATOM 811 CA ASP A 70 -3.950 13.497 -13.677 1.00 0.00 C ATOM 812 C ASP A 70 -5.394 13.731 -13.223 1.00 0.00 C ATOM 813 O ASP A 70 -5.818 13.235 -12.198 1.00 0.00 O ATOM 814 CB ASP A 70 -3.811 12.124 -14.337 1.00 0.00 C ATOM 815 CG ASP A 70 -4.909 11.950 -15.388 1.00 0.00 C ATOM 816 OD1 ASP A 70 -4.786 12.538 -16.449 1.00 0.00 O ATOM 817 OD2 ASP A 70 -5.854 11.228 -15.113 1.00 0.00 O ATOM 0 H ASP A 70 -3.150 12.627 -11.899 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.696 14.306 -14.362 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.830 12.030 -14.802 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.884 11.338 -13.585 1.00 0.00 H new ATOM 822 N GLN A 71 -6.150 14.484 -13.973 1.00 0.00 N ATOM 823 CA GLN A 71 -7.563 14.746 -13.576 1.00 0.00 C ATOM 824 C GLN A 71 -8.355 13.436 -13.534 1.00 0.00 C ATOM 825 O GLN A 71 -9.055 13.154 -12.583 1.00 0.00 O ATOM 826 CB GLN A 71 -8.115 15.673 -14.660 1.00 0.00 C ATOM 827 CG GLN A 71 -8.670 16.941 -14.010 1.00 0.00 C ATOM 828 CD GLN A 71 -10.042 16.643 -13.403 1.00 0.00 C ATOM 829 OE1 GLN A 71 -10.139 16.008 -12.372 1.00 0.00 O ATOM 830 NE2 GLN A 71 -11.115 17.079 -14.004 1.00 0.00 N ATOM 0 H GLN A 71 -5.852 14.928 -14.841 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.636 15.191 -12.584 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.328 15.929 -15.370 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.899 15.166 -15.222 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.988 17.295 -13.237 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.753 17.736 -14.751 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.034 17.612 -14.870 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.035 16.887 -13.608 1.00 0.00 H new ATOM 839 N ALA A 72 -8.247 12.633 -14.557 1.00 0.00 N ATOM 840 CA ALA A 72 -8.994 11.341 -14.574 1.00 0.00 C ATOM 841 C ALA A 72 -8.144 10.231 -13.948 1.00 0.00 C ATOM 842 O ALA A 72 -8.347 9.060 -14.203 1.00 0.00 O ATOM 843 CB ALA A 72 -9.252 11.050 -16.052 1.00 0.00 C ATOM 0 H ALA A 72 -7.675 12.814 -15.382 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.921 11.393 -14.002 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.799 10.112 -16.148 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.840 11.859 -16.485 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.301 10.971 -16.579 1.00 0.00 H new ATOM 849 N GLY A 73 -7.191 10.591 -13.134 1.00 0.00 N ATOM 850 CA GLY A 73 -6.326 9.559 -12.493 1.00 0.00 C ATOM 851 C GLY A 73 -7.203 8.499 -11.826 1.00 0.00 C ATOM 852 O GLY A 73 -7.340 7.395 -12.316 1.00 0.00 O ATOM 0 H GLY A 73 -6.973 11.556 -12.884 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.681 9.095 -13.240 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.674 10.024 -11.754 1.00 0.00 H new ATOM 856 N VAL A 74 -7.799 8.823 -10.710 1.00 0.00 N ATOM 857 CA VAL A 74 -8.666 7.831 -10.013 1.00 0.00 C ATOM 858 C VAL A 74 -9.594 7.145 -11.019 1.00 0.00 C ATOM 859 O VAL A 74 -9.940 5.991 -10.871 1.00 0.00 O ATOM 860 CB VAL A 74 -9.471 8.649 -9.000 1.00 0.00 C ATOM 861 CG1 VAL A 74 -10.693 7.849 -8.544 1.00 0.00 C ATOM 862 CG2 VAL A 74 -8.591 8.961 -7.788 1.00 0.00 C ATOM 0 H VAL A 74 -7.723 9.731 -10.252 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.089 7.043 -9.528 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.800 9.578 -9.466 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.263 8.435 -7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.321 7.622 -9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.366 6.919 -8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.161 9.544 -7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.264 8.029 -7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.720 9.533 -8.108 1.00 0.00 H new ATOM 872 N ASP A 75 -10.001 7.848 -12.042 1.00 0.00 N ATOM 873 CA ASP A 75 -10.907 7.233 -13.055 1.00 0.00 C ATOM 874 C ASP A 75 -10.210 6.056 -13.741 1.00 0.00 C ATOM 875 O ASP A 75 -10.476 4.904 -13.449 1.00 0.00 O ATOM 876 CB ASP A 75 -11.191 8.350 -14.060 1.00 0.00 C ATOM 877 CG ASP A 75 -12.566 8.954 -13.775 1.00 0.00 C ATOM 878 OD1 ASP A 75 -12.842 9.230 -12.619 1.00 0.00 O ATOM 879 OD2 ASP A 75 -13.322 9.131 -14.717 1.00 0.00 O ATOM 0 H ASP A 75 -9.746 8.819 -12.220 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.822 6.843 -12.610 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -10.422 9.120 -13.991 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -11.158 7.957 -15.076 1.00 0.00 H new ATOM 884 N LYS A 76 -9.318 6.335 -14.648 1.00 0.00 N ATOM 885 CA LYS A 76 -8.601 5.233 -15.351 1.00 0.00 C ATOM 886 C LYS A 76 -8.061 4.233 -14.330 1.00 0.00 C ATOM 887 O LYS A 76 -8.158 3.036 -14.511 1.00 0.00 O ATOM 888 CB LYS A 76 -7.455 5.913 -16.100 1.00 0.00 C ATOM 889 CG LYS A 76 -7.855 6.124 -17.561 1.00 0.00 C ATOM 890 CD LYS A 76 -8.503 7.500 -17.720 1.00 0.00 C ATOM 891 CE LYS A 76 -10.022 7.343 -17.816 1.00 0.00 C ATOM 892 NZ LYS A 76 -10.461 8.417 -18.750 1.00 0.00 N ATOM 0 H LYS A 76 -9.053 7.278 -14.934 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.251 4.680 -16.030 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.219 6.870 -15.634 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.555 5.301 -16.043 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.978 6.047 -18.204 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.550 5.345 -17.875 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.246 8.135 -16.872 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.121 7.992 -18.614 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.294 6.357 -18.192 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.493 7.452 -16.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.493 8.374 -18.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.194 9.345 -18.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.002 8.283 -19.674 1.00 0.00 H new ATOM 906 N VAL A 77 -7.503 4.709 -13.249 1.00 0.00 N ATOM 907 CA VAL A 77 -6.980 3.781 -12.223 1.00 0.00 C ATOM 908 C VAL A 77 -8.095 2.819 -11.810 1.00 0.00 C ATOM 909 O VAL A 77 -7.944 1.614 -11.870 1.00 0.00 O ATOM 910 CB VAL A 77 -6.568 4.684 -11.066 1.00 0.00 C ATOM 911 CG1 VAL A 77 -5.976 3.835 -9.957 1.00 0.00 C ATOM 912 CG2 VAL A 77 -5.500 5.663 -11.548 1.00 0.00 C ATOM 0 H VAL A 77 -7.390 5.701 -13.038 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.144 3.173 -12.568 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.439 5.227 -10.701 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.680 4.476 -9.127 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.719 3.116 -9.613 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.103 3.302 -10.333 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.202 6.311 -10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.632 5.108 -11.905 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.902 6.270 -12.360 1.00 0.00 H new ATOM 922 N LEU A 78 -9.224 3.345 -11.414 1.00 0.00 N ATOM 923 CA LEU A 78 -10.362 2.472 -11.025 1.00 0.00 C ATOM 924 C LEU A 78 -10.493 1.323 -12.020 1.00 0.00 C ATOM 925 O LEU A 78 -10.532 0.169 -11.651 1.00 0.00 O ATOM 926 CB LEU A 78 -11.590 3.377 -11.093 1.00 0.00 C ATOM 927 CG LEU A 78 -12.396 3.206 -9.815 1.00 0.00 C ATOM 928 CD1 LEU A 78 -12.852 1.753 -9.712 1.00 0.00 C ATOM 929 CD2 LEU A 78 -11.508 3.557 -8.622 1.00 0.00 C ATOM 0 H LEU A 78 -9.404 4.347 -11.344 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.234 2.032 -10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.286 4.417 -11.211 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.199 3.122 -11.960 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.268 3.860 -9.823 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -13.432 1.617 -8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.470 1.504 -10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.980 1.099 -9.689 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.075 3.438 -7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.643 2.894 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.171 4.590 -8.711 1.00 0.00 H new ATOM 941 N ALA A 79 -10.561 1.633 -13.283 1.00 0.00 N ATOM 942 CA ALA A 79 -10.680 0.557 -14.304 1.00 0.00 C ATOM 943 C ALA A 79 -9.691 -0.567 -13.981 1.00 0.00 C ATOM 944 O ALA A 79 -9.917 -1.718 -14.296 1.00 0.00 O ATOM 945 CB ALA A 79 -10.324 1.225 -15.632 1.00 0.00 C ATOM 0 H ALA A 79 -10.539 2.584 -13.652 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.676 0.114 -14.333 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.389 0.493 -16.437 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.020 2.041 -15.827 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.309 1.618 -15.581 1.00 0.00 H new ATOM 951 N GLN A 80 -8.597 -0.235 -13.349 1.00 0.00 N ATOM 952 CA GLN A 80 -7.588 -1.275 -12.993 1.00 0.00 C ATOM 953 C GLN A 80 -7.782 -1.717 -11.552 1.00 0.00 C ATOM 954 O GLN A 80 -6.894 -2.272 -10.936 1.00 0.00 O ATOM 955 CB GLN A 80 -6.230 -0.598 -13.178 1.00 0.00 C ATOM 956 CG GLN A 80 -6.108 -0.092 -14.617 1.00 0.00 C ATOM 957 CD GLN A 80 -5.741 -1.255 -15.540 1.00 0.00 C ATOM 958 OE1 GLN A 80 -5.457 -2.344 -15.082 1.00 0.00 O ATOM 959 NE2 GLN A 80 -5.738 -1.070 -16.831 1.00 0.00 N ATOM 0 H GLN A 80 -8.358 0.714 -13.063 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.677 -2.168 -13.612 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.126 0.232 -12.479 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.427 -1.302 -12.959 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.049 0.356 -14.937 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.347 0.687 -14.676 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.976 -0.156 -17.216 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.497 -1.839 -17.456 1.00 0.00 H new ATOM 968 N SER A 81 -8.949 -1.507 -11.020 1.00 0.00 N ATOM 969 CA SER A 81 -9.219 -1.941 -9.635 1.00 0.00 C ATOM 970 C SER A 81 -8.955 -3.443 -9.521 1.00 0.00 C ATOM 971 O SER A 81 -8.867 -3.989 -8.439 1.00 0.00 O ATOM 972 CB SER A 81 -10.693 -1.614 -9.400 1.00 0.00 C ATOM 973 OG SER A 81 -11.056 -2.001 -8.082 1.00 0.00 O ATOM 0 H SER A 81 -9.730 -1.050 -11.491 1.00 0.00 H new ATOM 0 HA SER A 81 -8.586 -1.448 -8.897 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.867 -0.547 -9.539 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.314 -2.136 -10.128 1.00 0.00 H new ATOM 0 HG SER A 81 -12.001 -1.791 -7.928 1.00 0.00 H new ATOM 979 N ARG A 82 -8.815 -4.115 -10.637 1.00 0.00 N ATOM 980 CA ARG A 82 -8.543 -5.569 -10.602 1.00 0.00 C ATOM 981 C ARG A 82 -7.063 -5.827 -10.898 1.00 0.00 C ATOM 982 O ARG A 82 -6.569 -6.922 -10.715 1.00 0.00 O ATOM 983 CB ARG A 82 -9.425 -6.168 -11.697 1.00 0.00 C ATOM 984 CG ARG A 82 -8.835 -5.836 -13.070 1.00 0.00 C ATOM 985 CD ARG A 82 -9.949 -5.367 -14.007 1.00 0.00 C ATOM 986 NE ARG A 82 -9.316 -5.298 -15.352 1.00 0.00 N ATOM 987 CZ ARG A 82 -9.891 -4.626 -16.312 1.00 0.00 C ATOM 988 NH1 ARG A 82 -11.047 -5.011 -16.777 1.00 0.00 N ATOM 989 NH2 ARG A 82 -9.310 -3.565 -16.802 1.00 0.00 N ATOM 0 H ARG A 82 -8.879 -3.709 -11.571 1.00 0.00 H new ATOM 0 HA ARG A 82 -8.757 -6.009 -9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -9.495 -7.249 -11.571 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -10.438 -5.772 -11.620 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -8.077 -5.059 -12.973 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.341 -6.714 -13.487 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -10.789 -6.062 -14.001 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.338 -4.395 -13.703 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.432 -5.776 -15.524 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -11.502 -5.838 -16.390 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.496 -4.485 -17.527 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.408 -3.262 -16.435 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.758 -3.039 -17.552 1.00 0.00 H new ATOM 1003 N HIS A 83 -6.359 -4.816 -11.347 1.00 0.00 N ATOM 1004 CA HIS A 83 -4.906 -4.961 -11.663 1.00 0.00 C ATOM 1005 C HIS A 83 -4.553 -6.377 -12.106 1.00 0.00 C ATOM 1006 O HIS A 83 -3.635 -6.979 -11.589 1.00 0.00 O ATOM 1007 CB HIS A 83 -4.186 -4.652 -10.365 1.00 0.00 C ATOM 1008 CG HIS A 83 -3.104 -3.640 -10.618 1.00 0.00 C ATOM 1009 ND1 HIS A 83 -1.821 -3.993 -11.008 1.00 0.00 N ATOM 1010 CD2 HIS A 83 -3.100 -2.282 -10.517 1.00 0.00 C ATOM 1011 CE1 HIS A 83 -1.106 -2.859 -11.120 1.00 0.00 C ATOM 1012 NE2 HIS A 83 -1.841 -1.783 -10.831 1.00 0.00 N ATOM 0 H HIS A 83 -6.737 -3.883 -11.510 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.625 -4.299 -12.482 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.892 -4.268 -9.628 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.756 -5.563 -9.950 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -3.951 -1.680 -10.234 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.066 -2.824 -11.408 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.544 -0.807 -10.839 1.00 0.00 H new ATOM 1020 N GLU A 84 -5.248 -6.920 -13.058 1.00 0.00 N ATOM 1021 CA GLU A 84 -4.890 -8.288 -13.506 1.00 0.00 C ATOM 1022 C GLU A 84 -3.881 -8.195 -14.639 1.00 0.00 C ATOM 1023 O GLU A 84 -4.090 -7.515 -15.625 1.00 0.00 O ATOM 1024 CB GLU A 84 -6.183 -8.939 -13.972 1.00 0.00 C ATOM 1025 CG GLU A 84 -6.096 -10.431 -13.663 1.00 0.00 C ATOM 1026 CD GLU A 84 -7.063 -11.200 -14.563 1.00 0.00 C ATOM 1027 OE1 GLU A 84 -7.024 -10.985 -15.763 1.00 0.00 O ATOM 1028 OE2 GLU A 84 -7.828 -11.992 -14.038 1.00 0.00 O ATOM 0 H GLU A 84 -6.036 -6.486 -13.539 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.436 -8.878 -12.710 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.039 -8.494 -13.464 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.327 -8.779 -15.040 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.077 -10.786 -13.820 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.338 -10.610 -12.615 1.00 0.00 H new ATOM 1035 N LEU A 85 -2.779 -8.862 -14.493 1.00 0.00 N ATOM 1036 CA LEU A 85 -1.734 -8.810 -15.543 1.00 0.00 C ATOM 1037 C LEU A 85 -1.001 -10.149 -15.602 1.00 0.00 C ATOM 1038 O LEU A 85 -1.288 -10.986 -16.433 1.00 0.00 O ATOM 1039 CB LEU A 85 -0.788 -7.670 -15.131 1.00 0.00 C ATOM 1040 CG LEU A 85 -0.696 -7.575 -13.601 1.00 0.00 C ATOM 1041 CD1 LEU A 85 0.742 -7.254 -13.195 1.00 0.00 C ATOM 1042 CD2 LEU A 85 -1.622 -6.464 -13.094 1.00 0.00 C ATOM 0 H LEU A 85 -2.555 -9.445 -13.687 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.147 -8.630 -16.536 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.203 -7.842 -15.551 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.148 -6.725 -15.539 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.998 -8.527 -13.165 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.807 -7.187 -12.109 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.405 -8.043 -13.550 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.041 -6.303 -13.636 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.553 -6.400 -12.008 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.323 -5.512 -13.533 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.650 -6.688 -13.380 1.00 0.00 H new ATOM 1054 N ASP A 86 -0.080 -10.376 -14.710 1.00 0.00 N ATOM 1055 CA ASP A 86 0.631 -11.666 -14.697 1.00 0.00 C ATOM 1056 C ASP A 86 -0.205 -12.652 -13.893 1.00 0.00 C ATOM 1057 O ASP A 86 0.277 -13.307 -12.992 1.00 0.00 O ATOM 1058 CB ASP A 86 1.967 -11.389 -14.005 1.00 0.00 C ATOM 1059 CG ASP A 86 3.017 -11.008 -15.051 1.00 0.00 C ATOM 1060 OD1 ASP A 86 2.625 -10.651 -16.151 1.00 0.00 O ATOM 1061 OD2 ASP A 86 4.193 -11.080 -14.736 1.00 0.00 O ATOM 0 H ASP A 86 0.207 -9.715 -13.988 1.00 0.00 H new ATOM 0 HA ASP A 86 0.793 -12.084 -15.690 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.852 -10.583 -13.280 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.292 -12.271 -13.453 1.00 0.00 H new ATOM 1066 N SER A 87 -1.473 -12.741 -14.207 1.00 0.00 N ATOM 1067 CA SER A 87 -2.374 -13.660 -13.458 1.00 0.00 C ATOM 1068 C SER A 87 -2.596 -13.120 -12.045 1.00 0.00 C ATOM 1069 O SER A 87 -3.190 -13.766 -11.205 1.00 0.00 O ATOM 1070 CB SER A 87 -1.641 -14.998 -13.429 1.00 0.00 C ATOM 1071 OG SER A 87 -1.432 -15.399 -12.080 1.00 0.00 O ATOM 0 H SER A 87 -1.922 -12.212 -14.955 1.00 0.00 H new ATOM 0 HA SER A 87 -3.357 -13.758 -13.918 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.222 -15.754 -13.958 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.685 -14.912 -13.946 1.00 0.00 H new ATOM 0 HG SER A 87 -0.962 -16.259 -12.063 1.00 0.00 H new ATOM 1077 N LYS A 88 -2.113 -11.935 -11.776 1.00 0.00 N ATOM 1078 CA LYS A 88 -2.274 -11.341 -10.434 1.00 0.00 C ATOM 1079 C LYS A 88 -3.244 -10.167 -10.503 1.00 0.00 C ATOM 1080 O LYS A 88 -3.058 -9.249 -11.280 1.00 0.00 O ATOM 1081 CB LYS A 88 -0.886 -10.827 -10.024 1.00 0.00 C ATOM 1082 CG LYS A 88 0.222 -11.552 -10.794 1.00 0.00 C ATOM 1083 CD LYS A 88 0.203 -13.041 -10.444 1.00 0.00 C ATOM 1084 CE LYS A 88 0.429 -13.219 -8.941 1.00 0.00 C ATOM 1085 NZ LYS A 88 -0.823 -13.848 -8.435 1.00 0.00 N ATOM 0 H LYS A 88 -1.608 -11.353 -12.444 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.664 -12.069 -9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.822 -9.755 -10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.743 -10.972 -8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.080 -11.419 -11.866 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.192 -11.122 -10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.752 -13.480 -10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.978 -13.566 -11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.295 -13.850 -8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.615 -12.262 -8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.625 -14.348 -7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.538 -13.112 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.181 -14.524 -9.140 1.00 0.00 H new ATOM 1099 N THR A 89 -4.267 -10.180 -9.693 1.00 0.00 N ATOM 1100 CA THR A 89 -5.240 -9.054 -9.703 1.00 0.00 C ATOM 1101 C THR A 89 -4.933 -8.101 -8.545 1.00 0.00 C ATOM 1102 O THR A 89 -5.615 -8.089 -7.540 1.00 0.00 O ATOM 1103 CB THR A 89 -6.610 -9.711 -9.514 1.00 0.00 C ATOM 1104 OG1 THR A 89 -7.624 -8.719 -9.594 1.00 0.00 O ATOM 1105 CG2 THR A 89 -6.667 -10.394 -8.148 1.00 0.00 C ATOM 0 H THR A 89 -4.470 -10.923 -9.024 1.00 0.00 H new ATOM 0 HA THR A 89 -5.198 -8.470 -10.622 1.00 0.00 H new ATOM 0 HB THR A 89 -6.767 -10.455 -10.295 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.424 -8.106 -10.332 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.643 -10.861 -8.015 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.889 -11.155 -8.089 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.510 -9.653 -7.364 1.00 0.00 H new ATOM 1113 N ILE A 90 -3.902 -7.309 -8.677 1.00 0.00 N ATOM 1114 CA ILE A 90 -3.548 -6.362 -7.577 1.00 0.00 C ATOM 1115 C ILE A 90 -4.788 -5.534 -7.205 1.00 0.00 C ATOM 1116 O ILE A 90 -5.874 -5.796 -7.684 1.00 0.00 O ATOM 1117 CB ILE A 90 -2.406 -5.458 -8.086 1.00 0.00 C ATOM 1118 CG1 ILE A 90 -1.529 -6.188 -9.120 1.00 0.00 C ATOM 1119 CG2 ILE A 90 -1.537 -5.073 -6.902 1.00 0.00 C ATOM 1120 CD1 ILE A 90 -0.218 -5.420 -9.332 1.00 0.00 C ATOM 0 H ILE A 90 -3.292 -7.276 -9.494 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.219 -6.894 -6.684 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.843 -4.581 -8.563 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.316 -7.201 -8.778 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.065 -6.277 -10.065 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.723 -4.433 -7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.139 -4.537 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.125 -5.973 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.396 -5.944 -10.065 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.439 -4.416 -9.695 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.322 -5.354 -8.387 1.00 0.00 H new ATOM 1132 N ASP A 91 -4.660 -4.562 -6.338 1.00 0.00 N ATOM 1133 CA ASP A 91 -5.860 -3.780 -5.939 1.00 0.00 C ATOM 1134 C ASP A 91 -5.532 -2.297 -5.752 1.00 0.00 C ATOM 1135 O ASP A 91 -5.277 -1.859 -4.648 1.00 0.00 O ATOM 1136 CB ASP A 91 -6.242 -4.390 -4.602 1.00 0.00 C ATOM 1137 CG ASP A 91 -7.732 -4.170 -4.333 1.00 0.00 C ATOM 1138 OD1 ASP A 91 -8.379 -3.550 -5.161 1.00 0.00 O ATOM 1139 OD2 ASP A 91 -8.201 -4.624 -3.302 1.00 0.00 O ATOM 0 H ASP A 91 -3.785 -4.281 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.648 -3.822 -6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.018 -5.457 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.650 -3.940 -3.805 1.00 0.00 H new ATOM 1144 N PRO A 92 -5.563 -1.561 -6.828 1.00 0.00 N ATOM 1145 CA PRO A 92 -5.282 -0.110 -6.758 1.00 0.00 C ATOM 1146 C PRO A 92 -6.282 0.592 -5.838 1.00 0.00 C ATOM 1147 O PRO A 92 -7.452 0.697 -6.148 1.00 0.00 O ATOM 1148 CB PRO A 92 -5.516 0.348 -8.192 1.00 0.00 C ATOM 1149 CG PRO A 92 -5.960 -0.863 -9.028 1.00 0.00 C ATOM 1150 CD PRO A 92 -5.865 -2.126 -8.163 1.00 0.00 C ATOM 0 HA PRO A 92 -4.287 0.111 -6.372 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.278 1.127 -8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.604 0.779 -8.605 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.982 -0.723 -9.380 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.329 -0.963 -9.911 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.796 -2.693 -8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.080 -2.799 -8.508 1.00 0.00 H new ATOM 1158 N LYS A 93 -5.834 1.106 -4.735 1.00 0.00 N ATOM 1159 CA LYS A 93 -6.775 1.836 -3.835 1.00 0.00 C ATOM 1160 C LYS A 93 -6.261 3.253 -3.590 1.00 0.00 C ATOM 1161 O LYS A 93 -5.278 3.470 -2.912 1.00 0.00 O ATOM 1162 CB LYS A 93 -6.867 1.045 -2.522 1.00 0.00 C ATOM 1163 CG LYS A 93 -5.476 0.715 -1.974 1.00 0.00 C ATOM 1164 CD LYS A 93 -5.027 1.807 -0.997 1.00 0.00 C ATOM 1165 CE LYS A 93 -5.017 1.251 0.428 1.00 0.00 C ATOM 1166 NZ LYS A 93 -5.706 2.288 1.246 1.00 0.00 N ATOM 0 H LYS A 93 -4.867 1.057 -4.414 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.764 1.919 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.423 1.624 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.423 0.122 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.494 -0.251 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.763 0.633 -2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.032 2.163 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.699 2.663 -1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.536 0.294 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.999 1.082 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.740 1.981 2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.185 3.186 1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.675 2.423 0.892 1.00 0.00 H new ATOM 1180 N VAL A 94 -6.923 4.219 -4.155 1.00 0.00 N ATOM 1181 CA VAL A 94 -6.489 5.632 -3.975 1.00 0.00 C ATOM 1182 C VAL A 94 -7.285 6.286 -2.844 1.00 0.00 C ATOM 1183 O VAL A 94 -8.247 5.732 -2.351 1.00 0.00 O ATOM 1184 CB VAL A 94 -6.787 6.307 -5.314 1.00 0.00 C ATOM 1185 CG1 VAL A 94 -6.283 7.751 -5.282 1.00 0.00 C ATOM 1186 CG2 VAL A 94 -6.079 5.543 -6.439 1.00 0.00 C ATOM 0 H VAL A 94 -7.751 4.092 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.436 5.716 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.862 6.303 -5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.496 8.232 -6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.786 8.294 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.208 7.757 -5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.291 6.023 -7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.004 5.547 -6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.439 4.514 -6.463 1.00 0.00 H new ATOM 1196 N ALA A 95 -6.893 7.458 -2.429 1.00 0.00 N ATOM 1197 CA ALA A 95 -7.632 8.142 -1.329 1.00 0.00 C ATOM 1198 C ALA A 95 -8.853 8.880 -1.888 1.00 0.00 C ATOM 1199 O ALA A 95 -9.410 8.502 -2.900 1.00 0.00 O ATOM 1200 CB ALA A 95 -6.629 9.133 -0.735 1.00 0.00 C ATOM 0 H ALA A 95 -6.095 7.972 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.003 7.440 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.098 9.678 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.761 8.591 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.313 9.836 -1.505 1.00 0.00 H new ATOM 1206 N PHE A 96 -9.274 9.930 -1.234 1.00 0.00 N ATOM 1207 CA PHE A 96 -10.459 10.691 -1.724 1.00 0.00 C ATOM 1208 C PHE A 96 -10.131 12.187 -1.808 1.00 0.00 C ATOM 1209 O PHE A 96 -10.673 12.979 -1.063 1.00 0.00 O ATOM 1210 CB PHE A 96 -11.548 10.442 -0.681 1.00 0.00 C ATOM 1211 CG PHE A 96 -11.642 8.962 -0.395 1.00 0.00 C ATOM 1212 CD1 PHE A 96 -12.176 8.097 -1.357 1.00 0.00 C ATOM 1213 CD2 PHE A 96 -11.198 8.456 0.832 1.00 0.00 C ATOM 1214 CE1 PHE A 96 -12.265 6.725 -1.093 1.00 0.00 C ATOM 1215 CE2 PHE A 96 -11.289 7.084 1.097 1.00 0.00 C ATOM 1216 CZ PHE A 96 -11.821 6.219 0.135 1.00 0.00 C ATOM 0 H PHE A 96 -8.848 10.293 -0.381 1.00 0.00 H new ATOM 0 HA PHE A 96 -10.768 10.376 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -11.320 10.987 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -12.506 10.815 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -12.520 8.488 -2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -10.785 9.123 1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -12.676 6.057 -1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -10.948 6.694 2.045 1.00 0.00 H new ATOM 0 HZ PHE A 96 -11.889 5.161 0.339 1.00 0.00 H new TER 1226 PHE A 96