USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 461 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 1 ALA N :NH3+ 149:sc= 0.393 (180deg=-0.0848) USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 3 GLN : amide:sc= 0 K(o=-0.18,f=-1.5!) USER MOD Set 2.2: A 6 GLN : amide:sc= -0.18 X(o=-0.18,f=0.026) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.851 K(o=-0.85,f=-3.4!) USER MOD Single : A 31 GLN : amide:sc= -7.12! C(o=-7.1!,f=-11!) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 37 GLN :FLIP amide:sc= -1.66! C(o=-2.4!,f=-1.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 114:sc= -0.547 USER MOD Single : A 44 TYR OH : rot 30:sc= -3.32! USER MOD Single : A 46 GLN : amide:sc= -0.0869 K(o=-0.087,f=-0.89) USER MOD Single : A 47 TYR OH : rot -129:sc= -0.269 USER MOD Single : A 50 SER OG : rot -138:sc= -0.789 USER MOD Single : A 52 HIS : no HD1:sc= -0.505 X(o=-0.51,f=-0.69) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 58 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HE2:sc= -0.0136 F(o=-2.2!,f=-0.014) USER MOD Single : A 68 PGM O1 : rot 180:sc= 0 USER MOD Single : A 68 PGM O2 : rot 180:sc= 0 USER MOD Single : A 68 PGM O8 : rot -107:sc= 0.424 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.370 6.833 1.761 1.00 0.00 N ATOM 2 CA ALA A 1 10.336 7.693 1.029 1.00 0.00 C ATOM 3 C ALA A 1 11.324 6.849 0.231 1.00 0.00 C ATOM 4 O ALA A 1 12.502 7.189 0.125 1.00 0.00 O ATOM 5 CB ALA A 1 11.079 8.596 2.002 1.00 0.00 C ATOM 0 H1 ALA A 1 9.082 7.306 2.641 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.533 6.668 1.167 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.818 5.922 1.988 1.00 0.00 H new ATOM 0 HA ALA A 1 9.776 8.313 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.784 9.221 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.365 9.230 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.622 7.985 2.723 1.00 0.00 H new ATOM 13 N CYS A 2 10.835 5.747 -0.328 1.00 0.00 N ATOM 14 CA CYS A 2 11.675 4.853 -1.118 1.00 0.00 C ATOM 15 C CYS A 2 11.367 4.991 -2.605 1.00 0.00 C ATOM 16 O CYS A 2 12.195 5.471 -3.378 1.00 0.00 O ATOM 17 CB CYS A 2 11.473 3.403 -0.673 1.00 0.00 C ATOM 18 SG CYS A 2 11.452 3.178 1.134 1.00 0.00 S ATOM 0 H CYS A 2 9.862 5.451 -0.249 1.00 0.00 H new ATOM 0 HA CYS A 2 12.716 5.133 -0.954 1.00 0.00 H new ATOM 0 HB2 CYS A 2 10.534 3.035 -1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 2 12.269 2.790 -1.096 1.00 0.00 H new ATOM 23 N GLN A 3 10.169 4.570 -2.997 1.00 0.00 N ATOM 24 CA GLN A 3 9.750 4.650 -4.392 1.00 0.00 C ATOM 25 C GLN A 3 8.233 4.539 -4.509 1.00 0.00 C ATOM 26 O GLN A 3 7.662 3.466 -4.315 1.00 0.00 O ATOM 27 CB GLN A 3 10.417 3.547 -5.215 1.00 0.00 C ATOM 28 CG GLN A 3 11.623 4.023 -6.008 1.00 0.00 C ATOM 29 CD GLN A 3 12.707 2.967 -6.106 1.00 0.00 C ATOM 30 OE1 GLN A 3 12.425 1.789 -6.326 1.00 0.00 O ATOM 31 NE2 GLN A 3 13.957 3.385 -5.942 1.00 0.00 N ATOM 0 H GLN A 3 9.472 4.170 -2.369 1.00 0.00 H new ATOM 0 HA GLN A 3 10.060 5.620 -4.782 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.726 2.744 -4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.684 3.125 -5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.305 4.307 -7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.033 4.917 -5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 3 14.145 4.371 -5.761 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.728 2.720 -5.997 1.00 0.00 H new ATOM 40 N ALA A 4 7.590 5.654 -4.829 1.00 0.00 N ATOM 41 CA ALA A 4 6.144 5.689 -4.974 1.00 0.00 C ATOM 42 C ALA A 4 5.718 5.216 -6.360 1.00 0.00 C ATOM 43 O ALA A 4 4.607 4.719 -6.544 1.00 0.00 O ATOM 44 CB ALA A 4 5.622 7.093 -4.710 1.00 0.00 C ATOM 0 H ALA A 4 8.051 6.549 -4.993 1.00 0.00 H new ATOM 0 HA ALA A 4 5.714 5.008 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.538 7.105 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.886 7.395 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.068 7.787 -5.422 1.00 0.00 H new ATOM 50 N SER A 5 6.609 5.376 -7.334 1.00 0.00 N ATOM 51 CA SER A 5 6.326 4.970 -8.706 1.00 0.00 C ATOM 52 C SER A 5 6.220 3.451 -8.829 1.00 0.00 C ATOM 53 O SER A 5 5.754 2.937 -9.847 1.00 0.00 O ATOM 54 CB SER A 5 7.413 5.493 -9.646 1.00 0.00 C ATOM 55 OG SER A 5 7.752 6.834 -9.339 1.00 0.00 O ATOM 0 H SER A 5 7.534 5.784 -7.198 1.00 0.00 H new ATOM 0 HA SER A 5 5.365 5.400 -8.988 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.299 4.864 -9.567 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.067 5.429 -10.678 1.00 0.00 H new ATOM 0 HG SER A 5 8.450 7.144 -9.953 1.00 0.00 H new ATOM 61 N GLN A 6 6.651 2.732 -7.795 1.00 0.00 N ATOM 62 CA GLN A 6 6.598 1.286 -7.803 1.00 0.00 C ATOM 63 C GLN A 6 5.220 0.797 -7.381 1.00 0.00 C ATOM 64 O GLN A 6 4.753 -0.250 -7.827 1.00 0.00 O ATOM 65 CB GLN A 6 7.666 0.707 -6.872 1.00 0.00 C ATOM 66 CG GLN A 6 9.087 0.925 -7.366 1.00 0.00 C ATOM 67 CD GLN A 6 9.695 -0.330 -7.961 1.00 0.00 C ATOM 68 OE1 GLN A 6 10.811 -0.717 -7.616 1.00 0.00 O ATOM 69 NE2 GLN A 6 8.962 -0.972 -8.863 1.00 0.00 N ATOM 0 H GLN A 6 7.040 3.135 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 6 6.793 0.944 -8.819 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.560 1.159 -5.886 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.492 -0.362 -6.753 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.090 1.717 -8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.707 1.268 -6.538 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.041 -0.615 -9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.320 -1.822 -9.299 1.00 0.00 H new ATOM 78 N LEU A 7 4.578 1.567 -6.511 1.00 0.00 N ATOM 79 CA LEU A 7 3.255 1.223 -6.009 1.00 0.00 C ATOM 80 C LEU A 7 2.166 2.036 -6.707 1.00 0.00 C ATOM 81 O LEU A 7 0.982 1.716 -6.603 1.00 0.00 O ATOM 82 CB LEU A 7 3.192 1.456 -4.497 1.00 0.00 C ATOM 83 CG LEU A 7 4.528 1.316 -3.760 1.00 0.00 C ATOM 84 CD1 LEU A 7 4.467 2.011 -2.409 1.00 0.00 C ATOM 85 CD2 LEU A 7 4.891 -0.153 -3.590 1.00 0.00 C ATOM 0 H LEU A 7 4.955 2.438 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 7 3.078 0.169 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.798 2.456 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.482 0.751 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 7 5.303 1.795 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.424 1.901 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.252 3.070 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.680 1.561 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.843 -0.234 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.114 -0.655 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.976 -0.622 -4.570 1.00 0.00 H new ATOM 97 N ALA A 8 2.569 3.089 -7.416 1.00 0.00 N ATOM 98 CA ALA A 8 1.621 3.943 -8.124 1.00 0.00 C ATOM 99 C ALA A 8 0.655 3.119 -8.964 1.00 0.00 C ATOM 100 O ALA A 8 -0.526 3.447 -9.079 1.00 0.00 O ATOM 101 CB ALA A 8 2.362 4.945 -8.996 1.00 0.00 C ATOM 0 H ALA A 8 3.545 3.370 -7.515 1.00 0.00 H new ATOM 0 HA ALA A 8 1.038 4.486 -7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.642 5.575 -9.518 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.003 5.567 -8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.973 4.412 -9.724 1.00 0.00 H new ATOM 107 N VAL A 9 1.169 2.048 -9.546 1.00 0.00 N ATOM 108 CA VAL A 9 0.367 1.164 -10.377 1.00 0.00 C ATOM 109 C VAL A 9 -0.804 0.582 -9.591 1.00 0.00 C ATOM 110 O VAL A 9 -1.827 0.208 -10.164 1.00 0.00 O ATOM 111 CB VAL A 9 1.214 0.013 -10.956 1.00 0.00 C ATOM 112 CG1 VAL A 9 1.787 -0.847 -9.839 1.00 0.00 C ATOM 113 CG2 VAL A 9 0.389 -0.829 -11.918 1.00 0.00 C ATOM 0 H VAL A 9 2.146 1.768 -9.457 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.019 1.766 -11.200 1.00 0.00 H new ATOM 0 HB VAL A 9 2.046 0.446 -11.511 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.381 -1.653 -10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.418 -0.234 -9.195 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.972 -1.270 -9.251 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.005 -1.636 -12.316 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.466 -1.252 -11.390 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.036 -0.204 -12.738 1.00 0.00 H new ATOM 123 N CYS A 10 -0.642 0.512 -8.276 1.00 0.00 N ATOM 124 CA CYS A 10 -1.678 -0.021 -7.399 1.00 0.00 C ATOM 125 C CYS A 10 -2.695 1.061 -7.060 1.00 0.00 C ATOM 126 O CYS A 10 -3.894 0.798 -6.962 1.00 0.00 O ATOM 127 CB CYS A 10 -1.051 -0.561 -6.114 1.00 0.00 C ATOM 128 SG CYS A 10 -2.029 -1.861 -5.293 1.00 0.00 S ATOM 0 H CYS A 10 0.201 0.819 -7.791 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.187 -0.833 -7.918 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.062 -0.957 -6.344 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.909 0.265 -5.417 1.00 0.00 H new ATOM 133 N ALA A 11 -2.200 2.281 -6.880 1.00 0.00 N ATOM 134 CA ALA A 11 -3.048 3.421 -6.549 1.00 0.00 C ATOM 135 C ALA A 11 -4.266 3.496 -7.462 1.00 0.00 C ATOM 136 O ALA A 11 -5.314 4.016 -7.079 1.00 0.00 O ATOM 137 CB ALA A 11 -2.249 4.712 -6.628 1.00 0.00 C ATOM 0 H ALA A 11 -1.208 2.507 -6.959 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.406 3.285 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.894 5.555 -6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.419 4.670 -5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.861 4.839 -7.639 1.00 0.00 H new ATOM 143 N SER A 12 -4.115 2.977 -8.672 1.00 0.00 N ATOM 144 CA SER A 12 -5.191 2.980 -9.653 1.00 0.00 C ATOM 145 C SER A 12 -6.479 2.407 -9.069 1.00 0.00 C ATOM 146 O SER A 12 -7.577 2.784 -9.477 1.00 0.00 O ATOM 147 CB SER A 12 -4.782 2.173 -10.885 1.00 0.00 C ATOM 148 OG SER A 12 -3.672 2.764 -11.538 1.00 0.00 O ATOM 0 H SER A 12 -3.251 2.545 -9.000 1.00 0.00 H new ATOM 0 HA SER A 12 -5.377 4.015 -9.939 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.533 1.154 -10.589 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.622 2.108 -11.576 1.00 0.00 H new ATOM 0 HG SER A 12 -3.430 2.227 -12.321 1.00 0.00 H new ATOM 154 N ALA A 13 -6.339 1.488 -8.118 1.00 0.00 N ATOM 155 CA ALA A 13 -7.491 0.863 -7.492 1.00 0.00 C ATOM 156 C ALA A 13 -7.290 0.664 -5.991 1.00 0.00 C ATOM 157 O ALA A 13 -7.955 -0.170 -5.377 1.00 0.00 O ATOM 158 CB ALA A 13 -7.790 -0.468 -8.164 1.00 0.00 C ATOM 0 H ALA A 13 -5.438 1.162 -7.767 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.340 1.534 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.655 -0.930 -7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.002 -0.303 -9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.927 -1.127 -8.066 1.00 0.00 H new ATOM 164 N ILE A 14 -6.376 1.429 -5.400 1.00 0.00 N ATOM 165 CA ILE A 14 -6.108 1.318 -3.970 1.00 0.00 C ATOM 166 C ILE A 14 -7.154 2.073 -3.150 1.00 0.00 C ATOM 167 O ILE A 14 -7.658 1.564 -2.149 1.00 0.00 O ATOM 168 CB ILE A 14 -4.691 1.830 -3.615 1.00 0.00 C ATOM 169 CG1 ILE A 14 -4.195 1.169 -2.326 1.00 0.00 C ATOM 170 CG2 ILE A 14 -4.668 3.349 -3.483 1.00 0.00 C ATOM 171 CD1 ILE A 14 -3.167 0.083 -2.561 1.00 0.00 C ATOM 0 H ILE A 14 -5.813 2.127 -5.885 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.164 0.259 -3.718 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.020 1.558 -4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.764 1.932 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.046 0.744 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.659 3.677 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.973 3.801 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.355 3.656 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.861 -0.341 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.601 -0.700 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.298 0.507 -3.065 1.00 0.00 H new ATOM 183 N LEU A 15 -7.472 3.291 -3.580 1.00 0.00 N ATOM 184 CA LEU A 15 -8.454 4.116 -2.885 1.00 0.00 C ATOM 185 C LEU A 15 -9.876 3.703 -3.254 1.00 0.00 C ATOM 186 O LEU A 15 -10.614 3.175 -2.422 1.00 0.00 O ATOM 187 CB LEU A 15 -8.238 5.595 -3.215 1.00 0.00 C ATOM 188 CG LEU A 15 -6.805 6.100 -3.021 1.00 0.00 C ATOM 189 CD1 LEU A 15 -6.108 6.262 -4.364 1.00 0.00 C ATOM 190 CD2 LEU A 15 -6.800 7.416 -2.256 1.00 0.00 C ATOM 0 H LEU A 15 -7.064 3.728 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.319 3.967 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.530 5.767 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.905 6.192 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.258 5.360 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.091 6.622 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.077 5.300 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.656 6.980 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.773 7.759 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.365 8.163 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.258 7.270 -1.278 1.00 0.00 H new ATOM 202 N SER A 16 -10.252 3.947 -4.505 1.00 0.00 N ATOM 203 CA SER A 16 -11.586 3.602 -4.983 1.00 0.00 C ATOM 204 C SER A 16 -11.681 2.116 -5.312 1.00 0.00 C ATOM 205 O SER A 16 -12.435 1.377 -4.678 1.00 0.00 O ATOM 206 CB SER A 16 -11.938 4.434 -6.218 1.00 0.00 C ATOM 207 OG SER A 16 -11.743 5.816 -5.974 1.00 0.00 O ATOM 0 H SER A 16 -9.652 4.382 -5.206 1.00 0.00 H new ATOM 0 HA SER A 16 -12.298 3.824 -4.188 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.321 4.120 -7.060 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.976 4.254 -6.498 1.00 0.00 H new ATOM 0 HG SER A 16 -11.973 6.326 -6.779 1.00 0.00 H new ATOM 213 N GLY A 17 -10.911 1.684 -6.306 1.00 0.00 N ATOM 214 CA GLY A 17 -10.924 0.287 -6.700 1.00 0.00 C ATOM 215 C GLY A 17 -11.480 0.083 -8.096 1.00 0.00 C ATOM 216 O GLY A 17 -12.348 -0.763 -8.308 1.00 0.00 O ATOM 0 H GLY A 17 -10.279 2.276 -6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.910 -0.109 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.521 -0.283 -5.988 1.00 0.00 H new ATOM 220 N ALA A 18 -10.980 0.862 -9.051 1.00 0.00 N ATOM 221 CA ALA A 18 -11.435 0.764 -10.433 1.00 0.00 C ATOM 222 C ALA A 18 -11.119 -0.603 -11.021 1.00 0.00 C ATOM 223 O ALA A 18 -11.939 -1.200 -11.719 1.00 0.00 O ATOM 224 CB ALA A 18 -10.804 1.862 -11.275 1.00 0.00 C ATOM 0 H ALA A 18 -10.260 1.567 -8.893 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.518 0.891 -10.442 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.152 1.777 -12.304 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.088 2.836 -10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.719 1.762 -11.250 1.00 0.00 H new ATOM 230 N LYS A 19 -9.924 -1.087 -10.732 1.00 0.00 N ATOM 231 CA LYS A 19 -9.478 -2.386 -11.225 1.00 0.00 C ATOM 232 C LYS A 19 -8.073 -2.708 -10.721 1.00 0.00 C ATOM 233 O LYS A 19 -7.081 -2.295 -11.323 1.00 0.00 O ATOM 234 CB LYS A 19 -9.500 -2.409 -12.755 1.00 0.00 C ATOM 235 CG LYS A 19 -8.719 -1.271 -13.393 1.00 0.00 C ATOM 236 CD LYS A 19 -9.643 -0.224 -13.996 1.00 0.00 C ATOM 237 CE LYS A 19 -10.555 -0.826 -15.053 1.00 0.00 C ATOM 238 NZ LYS A 19 -11.086 0.208 -15.983 1.00 0.00 N ATOM 0 H LYS A 19 -9.239 -0.599 -10.155 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.163 -3.144 -10.846 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.091 -3.358 -13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.534 -2.364 -13.096 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.079 -0.804 -12.644 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.064 -1.669 -14.168 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.246 0.227 -13.208 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.049 0.575 -14.439 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.006 -1.577 -15.621 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.386 -1.338 -14.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.703 -0.243 -16.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.632 0.911 -15.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.295 0.679 -16.466 1.00 0.00 H new ATOM 252 N PRO A 20 -7.965 -3.452 -9.606 1.00 0.00 N ATOM 253 CA PRO A 20 -6.668 -3.824 -9.031 1.00 0.00 C ATOM 254 C PRO A 20 -5.890 -4.778 -9.931 1.00 0.00 C ATOM 255 O PRO A 20 -6.239 -4.971 -11.096 1.00 0.00 O ATOM 256 CB PRO A 20 -7.041 -4.513 -7.715 1.00 0.00 C ATOM 257 CG PRO A 20 -8.436 -4.994 -7.917 1.00 0.00 C ATOM 258 CD PRO A 20 -9.092 -3.990 -8.822 1.00 0.00 C ATOM 0 HA PRO A 20 -6.018 -2.959 -8.902 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.366 -5.340 -7.497 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.979 -3.821 -6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.445 -5.988 -8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.965 -5.067 -6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.842 -4.455 -9.462 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.598 -3.208 -8.256 1.00 0.00 H new ATOM 266 N SER A 21 -4.835 -5.371 -9.384 1.00 0.00 N ATOM 267 CA SER A 21 -4.008 -6.305 -10.136 1.00 0.00 C ATOM 268 C SER A 21 -2.985 -6.977 -9.226 1.00 0.00 C ATOM 269 O SER A 21 -2.463 -6.358 -8.298 1.00 0.00 O ATOM 270 CB SER A 21 -3.296 -5.582 -11.280 1.00 0.00 C ATOM 271 OG SER A 21 -3.036 -6.464 -12.358 1.00 0.00 O ATOM 0 H SER A 21 -4.533 -5.221 -8.421 1.00 0.00 H new ATOM 0 HA SER A 21 -4.658 -7.075 -10.553 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.910 -4.750 -11.626 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.359 -5.158 -10.919 1.00 0.00 H new ATOM 0 HG SER A 21 -2.582 -5.977 -13.077 1.00 0.00 H new ATOM 277 N GLY A 22 -2.704 -8.246 -9.498 1.00 0.00 N ATOM 278 CA GLY A 22 -1.745 -8.983 -8.695 1.00 0.00 C ATOM 279 C GLY A 22 -0.377 -8.330 -8.676 1.00 0.00 C ATOM 280 O GLY A 22 0.368 -8.463 -7.705 1.00 0.00 O ATOM 0 H GLY A 22 -3.123 -8.778 -10.260 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.118 -9.065 -7.674 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.654 -9.997 -9.084 1.00 0.00 H new ATOM 284 N GLU A 23 -0.043 -7.624 -9.753 1.00 0.00 N ATOM 285 CA GLU A 23 1.239 -6.951 -9.868 1.00 0.00 C ATOM 286 C GLU A 23 1.550 -6.140 -8.612 1.00 0.00 C ATOM 287 O GLU A 23 2.711 -5.985 -8.232 1.00 0.00 O ATOM 288 CB GLU A 23 1.221 -6.036 -11.089 1.00 0.00 C ATOM 289 CG GLU A 23 2.595 -5.783 -11.663 1.00 0.00 C ATOM 290 CD GLU A 23 2.822 -4.330 -12.031 1.00 0.00 C ATOM 291 OE1 GLU A 23 1.977 -3.761 -12.753 1.00 0.00 O ATOM 292 OE2 GLU A 23 3.846 -3.761 -11.597 1.00 0.00 O ATOM 0 H GLU A 23 -0.651 -7.505 -10.563 1.00 0.00 H new ATOM 0 HA GLU A 23 2.019 -7.704 -9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.589 -6.480 -11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.768 -5.083 -10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.348 -6.091 -10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.733 -6.403 -12.549 1.00 0.00 H new ATOM 299 N CYS A 24 0.504 -5.624 -7.976 1.00 0.00 N ATOM 300 CA CYS A 24 0.658 -4.826 -6.766 1.00 0.00 C ATOM 301 C CYS A 24 1.466 -5.571 -5.709 1.00 0.00 C ATOM 302 O CYS A 24 2.091 -4.957 -4.844 1.00 0.00 O ATOM 303 CB CYS A 24 -0.714 -4.443 -6.204 1.00 0.00 C ATOM 304 SG CYS A 24 -0.648 -3.270 -4.811 1.00 0.00 S ATOM 0 H CYS A 24 -0.462 -5.745 -8.280 1.00 0.00 H new ATOM 0 HA CYS A 24 1.202 -3.920 -7.031 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.313 -4.007 -7.004 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.227 -5.348 -5.879 1.00 0.00 H new ATOM 309 N CYS A 25 1.451 -6.896 -5.787 1.00 0.00 N ATOM 310 CA CYS A 25 2.186 -7.725 -4.839 1.00 0.00 C ATOM 311 C CYS A 25 3.678 -7.707 -5.152 1.00 0.00 C ATOM 312 O CYS A 25 4.505 -7.464 -4.273 1.00 0.00 O ATOM 313 CB CYS A 25 1.664 -9.163 -4.871 1.00 0.00 C ATOM 314 SG CYS A 25 0.448 -9.542 -3.569 1.00 0.00 S ATOM 0 H CYS A 25 0.938 -7.420 -6.496 1.00 0.00 H new ATOM 0 HA CYS A 25 2.034 -7.315 -3.840 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.210 -9.352 -5.844 1.00 0.00 H new ATOM 0 HB3 CYS A 25 2.508 -9.847 -4.775 1.00 0.00 H new ATOM 319 N GLY A 26 4.013 -7.965 -6.411 1.00 0.00 N ATOM 320 CA GLY A 26 5.403 -7.975 -6.822 1.00 0.00 C ATOM 321 C GLY A 26 6.068 -6.624 -6.652 1.00 0.00 C ATOM 322 O GLY A 26 7.263 -6.547 -6.366 1.00 0.00 O ATOM 0 H GLY A 26 3.345 -8.168 -7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.946 -8.719 -6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.467 -8.279 -7.867 1.00 0.00 H new ATOM 326 N ASN A 27 5.297 -5.556 -6.831 1.00 0.00 N ATOM 327 CA ASN A 27 5.821 -4.210 -6.698 1.00 0.00 C ATOM 328 C ASN A 27 6.226 -3.926 -5.265 1.00 0.00 C ATOM 329 O ASN A 27 7.401 -3.717 -4.965 1.00 0.00 O ATOM 330 CB ASN A 27 4.787 -3.187 -7.163 1.00 0.00 C ATOM 331 CG ASN A 27 4.486 -3.301 -8.644 1.00 0.00 C ATOM 332 OD1 ASN A 27 3.400 -3.725 -9.038 1.00 0.00 O ATOM 333 ND2 ASN A 27 5.451 -2.922 -9.473 1.00 0.00 N ATOM 0 H ASN A 27 4.306 -5.602 -7.069 1.00 0.00 H new ATOM 0 HA ASN A 27 6.706 -4.129 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.866 -3.323 -6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.150 -2.183 -6.945 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.308 -2.976 -10.481 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.336 -2.577 -9.102 1.00 0.00 H new ATOM 340 N LEU A 28 5.241 -3.923 -4.386 1.00 0.00 N ATOM 341 CA LEU A 28 5.480 -3.668 -2.973 1.00 0.00 C ATOM 342 C LEU A 28 6.599 -4.562 -2.451 1.00 0.00 C ATOM 343 O LEU A 28 7.317 -4.202 -1.517 1.00 0.00 O ATOM 344 CB LEU A 28 4.200 -3.880 -2.159 1.00 0.00 C ATOM 345 CG LEU A 28 3.925 -5.326 -1.754 1.00 0.00 C ATOM 346 CD1 LEU A 28 4.570 -5.637 -0.411 1.00 0.00 C ATOM 347 CD2 LEU A 28 2.429 -5.594 -1.708 1.00 0.00 C ATOM 0 H LEU A 28 4.264 -4.095 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 28 5.787 -2.628 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.256 -3.270 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.353 -3.514 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 28 4.365 -5.983 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.363 -6.672 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.648 -5.489 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.162 -4.973 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.254 -6.630 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.962 -4.929 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.997 -5.415 -2.693 1.00 0.00 H new ATOM 359 N ARG A 29 6.740 -5.729 -3.069 1.00 0.00 N ATOM 360 CA ARG A 29 7.765 -6.682 -2.685 1.00 0.00 C ATOM 361 C ARG A 29 9.138 -6.040 -2.727 1.00 0.00 C ATOM 362 O ARG A 29 9.956 -6.229 -1.826 1.00 0.00 O ATOM 363 CB ARG A 29 7.725 -7.906 -3.602 1.00 0.00 C ATOM 364 CG ARG A 29 7.513 -9.208 -2.853 1.00 0.00 C ATOM 365 CD ARG A 29 6.309 -9.975 -3.375 1.00 0.00 C ATOM 366 NE ARG A 29 5.461 -10.449 -2.287 1.00 0.00 N ATOM 367 CZ ARG A 29 4.609 -11.467 -2.398 1.00 0.00 C ATOM 368 NH1 ARG A 29 4.474 -12.106 -3.554 1.00 0.00 N ATOM 369 NH2 ARG A 29 3.889 -11.846 -1.352 1.00 0.00 N ATOM 0 H ARG A 29 6.151 -6.036 -3.843 1.00 0.00 H new ATOM 0 HA ARG A 29 7.566 -7.003 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.925 -7.779 -4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.659 -7.964 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.405 -9.828 -2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.377 -8.998 -1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.728 -9.334 -4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.647 -10.824 -3.969 1.00 0.00 H new ATOM 0 HE ARG A 29 5.524 -9.972 -1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.024 -11.818 -4.363 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.820 -12.885 -3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.987 -11.358 -0.462 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.237 -12.626 -1.437 1.00 0.00 H new ATOM 383 N ALA A 30 9.376 -5.265 -3.771 1.00 0.00 N ATOM 384 CA ALA A 30 10.642 -4.573 -3.927 1.00 0.00 C ATOM 385 C ALA A 30 10.941 -3.729 -2.694 1.00 0.00 C ATOM 386 O ALA A 30 12.096 -3.425 -2.397 1.00 0.00 O ATOM 387 CB ALA A 30 10.625 -3.706 -5.177 1.00 0.00 C ATOM 0 H ALA A 30 8.708 -5.100 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 30 11.432 -5.316 -4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.582 -3.195 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.454 -4.333 -6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.826 -2.969 -5.097 1.00 0.00 H new ATOM 393 N GLN A 31 9.882 -3.364 -1.976 1.00 0.00 N ATOM 394 CA GLN A 31 10.012 -2.564 -0.765 1.00 0.00 C ATOM 395 C GLN A 31 10.397 -3.443 0.417 1.00 0.00 C ATOM 396 O GLN A 31 11.527 -3.389 0.903 1.00 0.00 O ATOM 397 CB GLN A 31 8.709 -1.813 -0.467 1.00 0.00 C ATOM 398 CG GLN A 31 7.935 -1.400 -1.709 1.00 0.00 C ATOM 399 CD GLN A 31 7.600 0.077 -1.724 1.00 0.00 C ATOM 400 OE1 GLN A 31 6.559 0.495 -1.216 1.00 0.00 O ATOM 401 NE2 GLN A 31 8.484 0.877 -2.307 1.00 0.00 N ATOM 0 H GLN A 31 8.922 -3.611 -2.214 1.00 0.00 H new ATOM 0 HA GLN A 31 10.802 -1.831 -0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.072 -2.444 0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.940 -0.922 0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.521 -1.645 -2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.013 -1.978 -1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.334 0.487 -2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.314 1.882 -2.347 1.00 0.00 H new ATOM 410 N GLN A 32 9.447 -4.256 0.877 1.00 0.00 N ATOM 411 CA GLN A 32 9.676 -5.153 2.001 1.00 0.00 C ATOM 412 C GLN A 32 10.320 -4.431 3.181 1.00 0.00 C ATOM 413 O GLN A 32 10.906 -5.059 4.063 1.00 0.00 O ATOM 414 CB GLN A 32 10.541 -6.315 1.553 1.00 0.00 C ATOM 415 CG GLN A 32 10.117 -7.637 2.160 1.00 0.00 C ATOM 416 CD GLN A 32 9.696 -8.653 1.118 1.00 0.00 C ATOM 417 OE1 GLN A 32 8.500 -8.473 0.572 1.00 0.00 O flip ATOM 418 NE2 GLN A 32 10.437 -9.586 0.807 1.00 0.00 N flip ATOM 0 H GLN A 32 8.507 -4.309 0.484 1.00 0.00 H new ATOM 0 HA GLN A 32 8.710 -5.526 2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.503 -6.392 0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.578 -6.114 1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.942 -8.044 2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.290 -7.467 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.349 -9.684 1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.139 -10.261 0.102 1.00 0.00 H new ATOM 427 N GLY A 33 10.199 -3.111 3.191 1.00 0.00 N ATOM 428 CA GLY A 33 10.764 -2.318 4.265 1.00 0.00 C ATOM 429 C GLY A 33 10.439 -0.845 4.120 1.00 0.00 C ATOM 430 O GLY A 33 11.188 0.011 4.591 1.00 0.00 O ATOM 0 H GLY A 33 9.717 -2.573 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.384 -2.680 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.846 -2.450 4.282 1.00 0.00 H new ATOM 434 N CYS A 34 9.325 -0.547 3.455 1.00 0.00 N ATOM 435 CA CYS A 34 8.912 0.819 3.238 1.00 0.00 C ATOM 436 C CYS A 34 7.427 1.010 3.508 1.00 0.00 C ATOM 437 O CYS A 34 7.009 2.038 4.041 1.00 0.00 O ATOM 438 CB CYS A 34 9.233 1.229 1.814 1.00 0.00 C ATOM 439 SG CYS A 34 9.477 3.019 1.572 1.00 0.00 S ATOM 0 H CYS A 34 8.695 -1.245 3.059 1.00 0.00 H new ATOM 0 HA CYS A 34 9.460 1.449 3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.135 0.707 1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.425 0.895 1.163 1.00 0.00 H new ATOM 444 N PHE A 35 6.634 0.020 3.128 1.00 0.00 N ATOM 445 CA PHE A 35 5.190 0.087 3.319 1.00 0.00 C ATOM 446 C PHE A 35 4.833 0.327 4.776 1.00 0.00 C ATOM 447 O PHE A 35 4.085 1.245 5.112 1.00 0.00 O ATOM 448 CB PHE A 35 4.498 -1.193 2.835 1.00 0.00 C ATOM 449 CG PHE A 35 5.234 -2.480 3.109 1.00 0.00 C ATOM 450 CD1 PHE A 35 5.116 -3.106 4.340 1.00 0.00 C ATOM 451 CD2 PHE A 35 6.014 -3.083 2.130 1.00 0.00 C ATOM 452 CE1 PHE A 35 5.759 -4.301 4.593 1.00 0.00 C ATOM 453 CE2 PHE A 35 6.660 -4.276 2.382 1.00 0.00 C ATOM 454 CZ PHE A 35 6.533 -4.887 3.613 1.00 0.00 C ATOM 0 H PHE A 35 6.963 -0.838 2.686 1.00 0.00 H new ATOM 0 HA PHE A 35 4.836 0.928 2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.515 -1.252 3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.335 -1.111 1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.512 -2.652 5.112 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.116 -2.614 1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.656 -4.777 5.557 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.267 -4.733 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.038 -5.821 3.808 1.00 0.00 H new ATOM 464 N CYS A 36 5.373 -0.518 5.624 1.00 0.00 N ATOM 465 CA CYS A 36 5.133 -0.446 7.061 1.00 0.00 C ATOM 466 C CYS A 36 5.494 0.926 7.615 1.00 0.00 C ATOM 467 O CYS A 36 4.712 1.539 8.341 1.00 0.00 O ATOM 468 CB CYS A 36 5.938 -1.526 7.784 1.00 0.00 C ATOM 469 SG CYS A 36 5.150 -2.155 9.301 1.00 0.00 S ATOM 0 H CYS A 36 5.993 -1.278 5.344 1.00 0.00 H new ATOM 0 HA CYS A 36 4.069 -0.612 7.231 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.102 -2.359 7.101 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.919 -1.124 8.037 1.00 0.00 H new ATOM 474 N GLN A 37 6.688 1.399 7.277 1.00 0.00 N ATOM 475 CA GLN A 37 7.155 2.692 7.749 1.00 0.00 C ATOM 476 C GLN A 37 6.341 3.829 7.140 1.00 0.00 C ATOM 477 O GLN A 37 6.224 4.906 7.725 1.00 0.00 O ATOM 478 CB GLN A 37 8.643 2.876 7.440 1.00 0.00 C ATOM 479 CG GLN A 37 8.945 3.099 5.967 1.00 0.00 C ATOM 480 CD GLN A 37 10.384 3.517 5.725 1.00 0.00 C ATOM 481 OE1 GLN A 37 10.898 3.218 4.537 1.00 0.00 O flip ATOM 482 NE2 GLN A 37 11.026 4.102 6.597 1.00 0.00 N flip ATOM 0 H GLN A 37 7.349 0.904 6.678 1.00 0.00 H new ATOM 0 HA GLN A 37 7.018 2.720 8.830 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.020 3.725 8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.186 1.995 7.783 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.739 2.182 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.277 3.865 5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.592 4.312 7.496 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.992 4.377 6.421 1.00 0.00 H new ATOM 491 N TYR A 38 5.777 3.580 5.966 1.00 0.00 N ATOM 492 CA TYR A 38 4.968 4.579 5.277 1.00 0.00 C ATOM 493 C TYR A 38 3.768 4.983 6.129 1.00 0.00 C ATOM 494 O TYR A 38 3.261 6.099 6.019 1.00 0.00 O ATOM 495 CB TYR A 38 4.492 4.036 3.927 1.00 0.00 C ATOM 496 CG TYR A 38 5.125 4.722 2.738 1.00 0.00 C ATOM 497 CD1 TYR A 38 4.930 6.078 2.508 1.00 0.00 C ATOM 498 CD2 TYR A 38 5.917 4.012 1.844 1.00 0.00 C ATOM 499 CE1 TYR A 38 5.506 6.707 1.420 1.00 0.00 C ATOM 500 CE2 TYR A 38 6.496 4.634 0.754 1.00 0.00 C ATOM 501 CZ TYR A 38 6.288 5.981 0.547 1.00 0.00 C ATOM 502 OH TYR A 38 6.863 6.603 -0.537 1.00 0.00 O ATOM 0 H TYR A 38 5.864 2.693 5.469 1.00 0.00 H new ATOM 0 HA TYR A 38 5.586 5.461 5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.709 2.969 3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.409 4.144 3.863 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.319 6.650 3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.083 2.957 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.344 7.762 1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.108 4.068 0.068 1.00 0.00 H new ATOM 0 HH TYR A 38 7.383 5.950 -1.051 1.00 0.00 H new ATOM 512 N ALA A 39 3.318 4.062 6.977 1.00 0.00 N ATOM 513 CA ALA A 39 2.177 4.309 7.847 1.00 0.00 C ATOM 514 C ALA A 39 2.384 5.547 8.716 1.00 0.00 C ATOM 515 O ALA A 39 1.424 6.119 9.233 1.00 0.00 O ATOM 516 CB ALA A 39 1.909 3.091 8.718 1.00 0.00 C ATOM 0 H ALA A 39 3.730 3.134 7.079 1.00 0.00 H new ATOM 0 HA ALA A 39 1.311 4.495 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.054 3.287 9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.695 2.230 8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.786 2.881 9.330 1.00 0.00 H new ATOM 522 N LYS A 40 3.639 5.953 8.879 1.00 0.00 N ATOM 523 CA LYS A 40 3.965 7.120 9.690 1.00 0.00 C ATOM 524 C LYS A 40 3.994 8.389 8.845 1.00 0.00 C ATOM 525 O LYS A 40 3.821 9.494 9.359 1.00 0.00 O ATOM 526 CB LYS A 40 5.316 6.922 10.380 1.00 0.00 C ATOM 527 CG LYS A 40 5.448 7.682 11.690 1.00 0.00 C ATOM 528 CD LYS A 40 5.622 6.737 12.870 1.00 0.00 C ATOM 529 CE LYS A 40 4.419 5.823 13.033 1.00 0.00 C ATOM 530 NZ LYS A 40 3.418 6.386 13.981 1.00 0.00 N ATOM 0 H LYS A 40 4.446 5.491 8.460 1.00 0.00 H new ATOM 0 HA LYS A 40 3.187 7.232 10.446 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.465 5.859 10.570 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.110 7.240 9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.302 8.358 11.635 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.563 8.299 11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.520 6.136 12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.767 7.315 13.782 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.950 5.664 12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.750 4.848 13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.613 5.733 14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.858 6.514 14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.083 7.305 13.627 1.00 0.00 H new ATOM 544 N ASP A 41 4.215 8.221 7.548 1.00 0.00 N ATOM 545 CA ASP A 41 4.270 9.349 6.625 1.00 0.00 C ATOM 546 C ASP A 41 2.896 10.009 6.481 1.00 0.00 C ATOM 547 O ASP A 41 1.969 9.412 5.933 1.00 0.00 O ATOM 548 CB ASP A 41 4.773 8.879 5.258 1.00 0.00 C ATOM 549 CG ASP A 41 4.788 9.991 4.227 1.00 0.00 C ATOM 550 OD1 ASP A 41 5.381 11.054 4.508 1.00 0.00 O ATOM 551 OD2 ASP A 41 4.207 9.800 3.138 1.00 0.00 O ATOM 0 H ASP A 41 4.360 7.312 7.109 1.00 0.00 H new ATOM 0 HA ASP A 41 4.961 10.089 7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.779 8.474 5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.139 8.067 4.902 1.00 0.00 H new ATOM 556 N PRO A 42 2.745 11.252 6.975 1.00 0.00 N ATOM 557 CA PRO A 42 1.484 11.987 6.904 1.00 0.00 C ATOM 558 C PRO A 42 1.358 12.807 5.623 1.00 0.00 C ATOM 559 O PRO A 42 2.000 13.846 5.475 1.00 0.00 O ATOM 560 CB PRO A 42 1.589 12.908 8.110 1.00 0.00 C ATOM 561 CG PRO A 42 3.037 13.257 8.166 1.00 0.00 C ATOM 562 CD PRO A 42 3.788 12.048 7.653 1.00 0.00 C ATOM 0 HA PRO A 42 0.613 11.331 6.902 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.968 13.796 7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.262 12.410 9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.249 14.134 7.555 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.339 13.498 9.185 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.585 12.333 6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.253 11.490 8.466 1.00 0.00 H new ATOM 570 N THR A 43 0.526 12.336 4.703 1.00 0.00 N ATOM 571 CA THR A 43 0.315 13.027 3.439 1.00 0.00 C ATOM 572 C THR A 43 -0.845 12.410 2.664 1.00 0.00 C ATOM 573 O THR A 43 -1.697 13.122 2.133 1.00 0.00 O ATOM 574 CB THR A 43 1.589 12.990 2.594 1.00 0.00 C ATOM 575 OG1 THR A 43 2.602 12.240 3.239 1.00 0.00 O ATOM 576 CG2 THR A 43 2.151 14.364 2.299 1.00 0.00 C ATOM 0 H THR A 43 -0.014 11.477 4.809 1.00 0.00 H new ATOM 0 HA THR A 43 0.065 14.065 3.660 1.00 0.00 H new ATOM 0 HB THR A 43 1.296 12.525 1.653 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.798 11.436 2.714 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.054 14.266 1.696 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.412 14.950 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.393 14.867 3.235 1.00 0.00 H new ATOM 584 N TYR A 44 -0.870 11.083 2.601 1.00 0.00 N ATOM 585 CA TYR A 44 -1.924 10.372 1.888 1.00 0.00 C ATOM 586 C TYR A 44 -3.223 10.374 2.686 1.00 0.00 C ATOM 587 O TYR A 44 -4.236 10.913 2.239 1.00 0.00 O ATOM 588 CB TYR A 44 -1.491 8.934 1.598 1.00 0.00 C ATOM 589 CG TYR A 44 -0.344 8.833 0.618 1.00 0.00 C ATOM 590 CD1 TYR A 44 0.954 9.140 1.005 1.00 0.00 C ATOM 591 CD2 TYR A 44 -0.560 8.431 -0.694 1.00 0.00 C ATOM 592 CE1 TYR A 44 2.005 9.050 0.112 1.00 0.00 C ATOM 593 CE2 TYR A 44 0.486 8.338 -1.593 1.00 0.00 C ATOM 594 CZ TYR A 44 1.766 8.648 -1.185 1.00 0.00 C ATOM 595 OH TYR A 44 2.809 8.557 -2.077 1.00 0.00 O ATOM 0 H TYR A 44 -0.172 10.479 3.035 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.101 10.889 0.945 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.202 8.455 2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.343 8.379 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.145 9.454 2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.561 8.187 -1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.008 9.293 0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.301 8.024 -2.610 1.00 0.00 H new ATOM 0 HH TYR A 44 3.633 8.335 -1.595 1.00 0.00 H new ATOM 605 N GLY A 45 -3.189 9.767 3.868 1.00 0.00 N ATOM 606 CA GLY A 45 -4.373 9.709 4.706 1.00 0.00 C ATOM 607 C GLY A 45 -5.545 9.050 4.005 1.00 0.00 C ATOM 608 O GLY A 45 -6.701 9.381 4.267 1.00 0.00 O ATOM 0 H GLY A 45 -2.363 9.314 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.143 9.159 5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.653 10.719 5.005 1.00 0.00 H new ATOM 612 N GLN A 46 -5.243 8.115 3.110 1.00 0.00 N ATOM 613 CA GLN A 46 -6.273 7.407 2.365 1.00 0.00 C ATOM 614 C GLN A 46 -5.708 6.148 1.712 1.00 0.00 C ATOM 615 O GLN A 46 -6.355 5.101 1.699 1.00 0.00 O ATOM 616 CB GLN A 46 -6.877 8.326 1.303 1.00 0.00 C ATOM 617 CG GLN A 46 -8.386 8.475 1.414 1.00 0.00 C ATOM 618 CD GLN A 46 -8.883 9.801 0.874 1.00 0.00 C ATOM 619 OE1 GLN A 46 -8.252 10.840 1.070 1.00 0.00 O ATOM 620 NE2 GLN A 46 -10.020 9.773 0.189 1.00 0.00 N ATOM 0 H GLN A 46 -4.290 7.831 2.884 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.054 7.106 3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.416 9.311 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.630 7.937 0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.868 7.662 0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.681 8.379 2.459 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.510 8.889 0.050 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.403 10.635 -0.199 1.00 0.00 H new ATOM 629 N TYR A 47 -4.498 6.258 1.171 1.00 0.00 N ATOM 630 CA TYR A 47 -3.846 5.131 0.518 1.00 0.00 C ATOM 631 C TYR A 47 -3.668 3.969 1.487 1.00 0.00 C ATOM 632 O TYR A 47 -4.083 2.844 1.209 1.00 0.00 O ATOM 633 CB TYR A 47 -2.492 5.553 -0.030 1.00 0.00 C ATOM 634 CG TYR A 47 -2.011 4.713 -1.192 1.00 0.00 C ATOM 635 CD1 TYR A 47 -1.810 3.346 -1.049 1.00 0.00 C ATOM 636 CD2 TYR A 47 -1.754 5.289 -2.430 1.00 0.00 C ATOM 637 CE1 TYR A 47 -1.366 2.576 -2.108 1.00 0.00 C ATOM 638 CE2 TYR A 47 -1.312 4.526 -3.493 1.00 0.00 C ATOM 639 CZ TYR A 47 -1.119 3.170 -3.327 1.00 0.00 C ATOM 640 OH TYR A 47 -0.677 2.407 -4.383 1.00 0.00 O ATOM 0 H TYR A 47 -3.950 7.118 1.173 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.482 4.803 -0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.548 6.595 -0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.755 5.502 0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.004 2.877 -0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.902 6.350 -2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.213 1.514 -1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.118 4.989 -4.450 1.00 0.00 H new ATOM 0 HH TYR A 47 0.121 2.821 -4.774 1.00 0.00 H new ATOM 650 N ILE A 48 -3.042 4.250 2.624 1.00 0.00 N ATOM 651 CA ILE A 48 -2.801 3.232 3.635 1.00 0.00 C ATOM 652 C ILE A 48 -4.079 2.884 4.392 1.00 0.00 C ATOM 653 O ILE A 48 -4.402 1.710 4.571 1.00 0.00 O ATOM 654 CB ILE A 48 -1.722 3.677 4.641 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.458 4.118 3.898 1.00 0.00 C ATOM 656 CG2 ILE A 48 -1.409 2.551 5.619 1.00 0.00 C ATOM 657 CD1 ILE A 48 0.723 4.385 4.808 1.00 0.00 C ATOM 0 H ILE A 48 -2.692 5.177 2.867 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.448 2.347 3.106 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.101 4.525 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.183 3.347 3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.678 5.021 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.645 2.882 6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.313 2.282 6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.045 1.683 5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.581 4.693 4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.468 5.177 5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.971 3.477 5.358 1.00 0.00 H new ATOM 669 N ARG A 49 -4.804 3.907 4.838 1.00 0.00 N ATOM 670 CA ARG A 49 -6.045 3.694 5.579 1.00 0.00 C ATOM 671 C ARG A 49 -7.219 3.400 4.651 1.00 0.00 C ATOM 672 O ARG A 49 -8.370 3.685 4.979 1.00 0.00 O ATOM 673 CB ARG A 49 -6.363 4.907 6.456 1.00 0.00 C ATOM 674 CG ARG A 49 -5.155 5.462 7.194 1.00 0.00 C ATOM 675 CD ARG A 49 -5.530 6.654 8.060 1.00 0.00 C ATOM 676 NE ARG A 49 -6.041 7.768 7.265 1.00 0.00 N ATOM 677 CZ ARG A 49 -6.117 9.022 7.707 1.00 0.00 C ATOM 678 NH1 ARG A 49 -5.717 9.325 8.936 1.00 0.00 N ATOM 679 NH2 ARG A 49 -6.594 9.975 6.918 1.00 0.00 N ATOM 0 H ARG A 49 -4.556 4.887 4.700 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.895 2.821 6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.789 5.693 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.125 4.628 7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.718 4.682 7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.393 5.760 6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.284 6.351 8.787 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.657 6.982 8.624 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.358 7.574 6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.349 8.596 9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.777 10.287 9.269 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.903 9.748 5.973 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.652 10.935 7.256 1.00 0.00 H new ATOM 693 N SER A 50 -6.921 2.817 3.501 1.00 0.00 N ATOM 694 CA SER A 50 -7.943 2.467 2.529 1.00 0.00 C ATOM 695 C SER A 50 -8.620 1.154 2.913 1.00 0.00 C ATOM 696 O SER A 50 -8.007 0.298 3.550 1.00 0.00 O ATOM 697 CB SER A 50 -7.322 2.354 1.148 1.00 0.00 C ATOM 698 OG SER A 50 -8.216 2.796 0.141 1.00 0.00 O ATOM 0 H SER A 50 -5.972 2.575 3.217 1.00 0.00 H new ATOM 0 HA SER A 50 -8.699 3.252 2.517 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.407 2.945 1.109 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.041 1.318 0.958 1.00 0.00 H new ATOM 0 HG SER A 50 -8.174 2.185 -0.624 1.00 0.00 H new ATOM 704 N PRO A 51 -9.894 0.970 2.528 1.00 0.00 N ATOM 705 CA PRO A 51 -10.635 -0.254 2.840 1.00 0.00 C ATOM 706 C PRO A 51 -10.174 -1.437 1.996 1.00 0.00 C ATOM 707 O PRO A 51 -10.025 -2.551 2.498 1.00 0.00 O ATOM 708 CB PRO A 51 -12.080 0.115 2.505 1.00 0.00 C ATOM 709 CG PRO A 51 -11.967 1.165 1.454 1.00 0.00 C ATOM 710 CD PRO A 51 -10.709 1.933 1.762 1.00 0.00 C ATOM 0 HA PRO A 51 -10.491 -0.570 3.873 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.636 -0.750 2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.607 0.488 3.383 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.917 0.718 0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.837 1.822 1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.202 2.253 0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.919 2.831 2.342 1.00 0.00 H new ATOM 718 N HIS A 52 -9.954 -1.188 0.709 1.00 0.00 N ATOM 719 CA HIS A 52 -9.513 -2.233 -0.211 1.00 0.00 C ATOM 720 C HIS A 52 -8.013 -2.482 -0.096 1.00 0.00 C ATOM 721 O HIS A 52 -7.531 -3.575 -0.395 1.00 0.00 O ATOM 722 CB HIS A 52 -9.868 -1.859 -1.653 1.00 0.00 C ATOM 723 CG HIS A 52 -11.202 -1.190 -1.789 1.00 0.00 C ATOM 724 ND1 HIS A 52 -12.394 -1.818 -1.494 1.00 0.00 N ATOM 725 CD2 HIS A 52 -11.528 0.063 -2.186 1.00 0.00 C ATOM 726 CE1 HIS A 52 -13.394 -0.981 -1.704 1.00 0.00 C ATOM 727 NE2 HIS A 52 -12.896 0.166 -2.124 1.00 0.00 N ATOM 0 H HIS A 52 -10.074 -0.271 0.278 1.00 0.00 H new ATOM 0 HA HIS A 52 -10.032 -3.152 0.062 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.097 -1.197 -2.048 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.859 -2.760 -2.266 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -10.840 0.837 -2.494 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -14.442 -1.199 -1.557 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -13.439 0.995 -2.364 1.00 0.00 H new ATOM 736 N ALA A 53 -7.279 -1.462 0.330 1.00 0.00 N ATOM 737 CA ALA A 53 -5.834 -1.566 0.475 1.00 0.00 C ATOM 738 C ALA A 53 -5.451 -2.690 1.424 1.00 0.00 C ATOM 739 O ALA A 53 -4.639 -3.554 1.094 1.00 0.00 O ATOM 740 CB ALA A 53 -5.250 -0.248 0.958 1.00 0.00 C ATOM 0 H ALA A 53 -7.663 -0.551 0.582 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.419 -1.798 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.169 -0.345 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.477 0.537 0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.684 0.010 1.924 1.00 0.00 H new ATOM 746 N ARG A 54 -6.040 -2.661 2.606 1.00 0.00 N ATOM 747 CA ARG A 54 -5.774 -3.664 3.626 1.00 0.00 C ATOM 748 C ARG A 54 -5.998 -5.070 3.088 1.00 0.00 C ATOM 749 O ARG A 54 -5.322 -6.017 3.490 1.00 0.00 O ATOM 750 CB ARG A 54 -6.659 -3.421 4.850 1.00 0.00 C ATOM 751 CG ARG A 54 -5.903 -3.468 6.166 1.00 0.00 C ATOM 752 CD ARG A 54 -6.733 -2.907 7.311 1.00 0.00 C ATOM 753 NE ARG A 54 -8.103 -3.419 7.302 1.00 0.00 N ATOM 754 CZ ARG A 54 -8.845 -3.583 8.396 1.00 0.00 C ATOM 755 NH1 ARG A 54 -8.363 -3.264 9.592 1.00 0.00 N ATOM 756 NH2 ARG A 54 -10.077 -4.063 8.294 1.00 0.00 N ATOM 0 H ARG A 54 -6.712 -1.947 2.887 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.728 -3.577 3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.141 -2.448 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.452 -4.169 4.869 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.624 -4.498 6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.977 -2.900 6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.259 -3.160 8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.753 -1.819 7.244 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.516 -3.666 6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.418 -2.890 9.678 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.938 -3.393 10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.455 -4.306 7.379 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.646 -4.189 9.131 1.00 0.00 H new ATOM 770 N ASP A 55 -6.948 -5.194 2.176 1.00 0.00 N ATOM 771 CA ASP A 55 -7.263 -6.481 1.576 1.00 0.00 C ATOM 772 C ASP A 55 -6.149 -6.924 0.645 1.00 0.00 C ATOM 773 O ASP A 55 -5.768 -8.094 0.621 1.00 0.00 O ATOM 774 CB ASP A 55 -8.580 -6.410 0.818 1.00 0.00 C ATOM 775 CG ASP A 55 -9.257 -7.762 0.706 1.00 0.00 C ATOM 776 OD1 ASP A 55 -9.676 -8.304 1.750 1.00 0.00 O ATOM 777 OD2 ASP A 55 -9.368 -8.278 -0.426 1.00 0.00 O ATOM 0 H ASP A 55 -7.515 -4.418 1.834 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.360 -7.214 2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.249 -5.713 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.400 -6.013 -0.181 1.00 0.00 H new ATOM 782 N THR A 56 -5.628 -5.974 -0.113 1.00 0.00 N ATOM 783 CA THR A 56 -4.552 -6.242 -1.046 1.00 0.00 C ATOM 784 C THR A 56 -3.327 -6.779 -0.315 1.00 0.00 C ATOM 785 O THR A 56 -2.751 -7.793 -0.709 1.00 0.00 O ATOM 786 CB THR A 56 -4.192 -4.980 -1.812 1.00 0.00 C ATOM 787 OG1 THR A 56 -5.339 -4.176 -2.027 1.00 0.00 O ATOM 788 CG2 THR A 56 -3.561 -5.255 -3.160 1.00 0.00 C ATOM 0 H THR A 56 -5.938 -5.002 -0.098 1.00 0.00 H new ATOM 0 HA THR A 56 -4.892 -6.999 -1.753 1.00 0.00 H new ATOM 0 HB THR A 56 -3.462 -4.464 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.085 -3.368 -2.520 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.329 -4.311 -3.653 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.644 -5.827 -3.022 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.255 -5.825 -3.777 1.00 0.00 H new ATOM 796 N LEU A 57 -2.936 -6.091 0.754 1.00 0.00 N ATOM 797 CA LEU A 57 -1.786 -6.497 1.541 1.00 0.00 C ATOM 798 C LEU A 57 -1.982 -7.894 2.105 1.00 0.00 C ATOM 799 O LEU A 57 -1.119 -8.762 1.972 1.00 0.00 O ATOM 800 CB LEU A 57 -1.538 -5.499 2.669 1.00 0.00 C ATOM 801 CG LEU A 57 -0.347 -4.568 2.450 1.00 0.00 C ATOM 802 CD1 LEU A 57 -0.802 -3.118 2.387 1.00 0.00 C ATOM 803 CD2 LEU A 57 0.693 -4.757 3.546 1.00 0.00 C ATOM 0 H LEU A 57 -3.402 -5.249 1.092 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.913 -6.513 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.434 -4.894 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.384 -6.051 3.596 1.00 0.00 H new ATOM 0 HG LEU A 57 0.113 -4.823 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.062 -2.472 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.503 -2.992 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.291 -2.849 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.533 -4.084 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.246 -4.534 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.046 -5.788 3.538 1.00 0.00 H new ATOM 815 N THR A 58 -3.128 -8.099 2.732 1.00 0.00 N ATOM 816 CA THR A 58 -3.459 -9.386 3.320 1.00 0.00 C ATOM 817 C THR A 58 -3.484 -10.470 2.254 1.00 0.00 C ATOM 818 O THR A 58 -2.940 -11.557 2.448 1.00 0.00 O ATOM 819 CB THR A 58 -4.808 -9.319 4.038 1.00 0.00 C ATOM 820 OG1 THR A 58 -4.861 -8.199 4.903 1.00 0.00 O ATOM 821 CG2 THR A 58 -5.108 -10.552 4.864 1.00 0.00 C ATOM 0 H THR A 58 -3.848 -7.386 2.847 1.00 0.00 H new ATOM 0 HA THR A 58 -2.689 -9.635 4.051 1.00 0.00 H new ATOM 0 HB THR A 58 -5.553 -9.241 3.246 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.140 -7.408 4.397 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.079 -10.439 5.346 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.124 -11.429 4.216 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.337 -10.677 5.625 1.00 0.00 H new ATOM 829 N SER A 59 -4.100 -10.162 1.116 1.00 0.00 N ATOM 830 CA SER A 59 -4.172 -11.102 0.014 1.00 0.00 C ATOM 831 C SER A 59 -2.783 -11.619 -0.315 1.00 0.00 C ATOM 832 O SER A 59 -2.604 -12.767 -0.723 1.00 0.00 O ATOM 833 CB SER A 59 -4.773 -10.425 -1.201 1.00 0.00 C ATOM 834 OG SER A 59 -5.383 -11.366 -2.068 1.00 0.00 O ATOM 0 H SER A 59 -4.555 -9.267 0.938 1.00 0.00 H new ATOM 0 HA SER A 59 -4.804 -11.942 0.302 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.512 -9.690 -0.882 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.996 -9.883 -1.739 1.00 0.00 H new ATOM 0 HG SER A 59 -5.763 -10.900 -2.842 1.00 0.00 H new ATOM 840 N CYS A 60 -1.804 -10.750 -0.115 1.00 0.00 N ATOM 841 CA CYS A 60 -0.418 -11.074 -0.362 1.00 0.00 C ATOM 842 C CYS A 60 0.155 -11.871 0.804 1.00 0.00 C ATOM 843 O CYS A 60 0.982 -12.763 0.614 1.00 0.00 O ATOM 844 CB CYS A 60 0.370 -9.783 -0.553 1.00 0.00 C ATOM 845 SG CYS A 60 1.582 -9.841 -1.911 1.00 0.00 S ATOM 0 H CYS A 60 -1.954 -9.800 0.224 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.344 -11.683 -1.263 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.329 -8.968 -0.740 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.892 -9.549 0.375 1.00 0.00 H new ATOM 850 N GLY A 61 -0.291 -11.539 2.015 1.00 0.00 N ATOM 851 CA GLY A 61 0.189 -12.232 3.194 1.00 0.00 C ATOM 852 C GLY A 61 1.646 -11.938 3.483 1.00 0.00 C ATOM 853 O GLY A 61 2.470 -12.851 3.541 1.00 0.00 O ATOM 0 H GLY A 61 -0.974 -10.804 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.415 -11.942 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.057 -13.306 3.060 1.00 0.00 H new ATOM 857 N LEU A 62 1.968 -10.660 3.669 1.00 0.00 N ATOM 858 CA LEU A 62 3.340 -10.259 3.960 1.00 0.00 C ATOM 859 C LEU A 62 3.440 -9.614 5.339 1.00 0.00 C ATOM 860 O LEU A 62 3.907 -10.239 6.292 1.00 0.00 O ATOM 861 CB LEU A 62 3.894 -9.300 2.889 1.00 0.00 C ATOM 862 CG LEU A 62 2.861 -8.577 2.008 1.00 0.00 C ATOM 863 CD1 LEU A 62 2.771 -7.104 2.380 1.00 0.00 C ATOM 864 CD2 LEU A 62 3.226 -8.725 0.538 1.00 0.00 C ATOM 0 H LEU A 62 1.301 -9.889 3.624 1.00 0.00 H new ATOM 0 HA LEU A 62 3.946 -11.165 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.502 -8.546 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.560 -9.866 2.238 1.00 0.00 H new ATOM 0 HG LEU A 62 1.887 -9.035 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.035 -6.613 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.470 -7.010 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.744 -6.633 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.487 -8.209 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.210 -8.291 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.243 -9.782 0.272 1.00 0.00 H new ATOM 876 N ALA A 63 3.003 -8.364 5.442 1.00 0.00 N ATOM 877 CA ALA A 63 3.050 -7.647 6.706 1.00 0.00 C ATOM 878 C ALA A 63 1.931 -6.616 6.811 1.00 0.00 C ATOM 879 O ALA A 63 1.022 -6.579 5.982 1.00 0.00 O ATOM 880 CB ALA A 63 4.405 -6.978 6.883 1.00 0.00 C ATOM 0 H ALA A 63 2.613 -7.829 4.666 1.00 0.00 H new ATOM 0 HA ALA A 63 2.905 -8.374 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.426 -6.445 7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.189 -7.736 6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.572 -6.274 6.068 1.00 0.00 H new ATOM 886 N VAL A 64 2.007 -5.781 7.844 1.00 0.00 N ATOM 887 CA VAL A 64 1.015 -4.748 8.077 1.00 0.00 C ATOM 888 C VAL A 64 1.649 -3.524 8.738 1.00 0.00 C ATOM 889 O VAL A 64 2.496 -3.660 9.621 1.00 0.00 O ATOM 890 CB VAL A 64 -0.118 -5.272 8.964 1.00 0.00 C ATOM 891 CG1 VAL A 64 -1.167 -4.197 9.214 1.00 0.00 C ATOM 892 CG2 VAL A 64 -0.749 -6.511 8.348 1.00 0.00 C ATOM 0 H VAL A 64 2.755 -5.805 8.537 1.00 0.00 H new ATOM 0 HA VAL A 64 0.607 -4.460 7.108 1.00 0.00 H new ATOM 0 HB VAL A 64 0.310 -5.546 9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.958 -4.600 9.847 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.703 -3.345 9.711 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.592 -3.875 8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.552 -6.869 8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.154 -6.263 7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.006 -7.290 8.243 1.00 0.00 H new ATOM 902 N PRO A 65 1.250 -2.307 8.325 1.00 0.00 N ATOM 903 CA PRO A 65 1.790 -1.066 8.893 1.00 0.00 C ATOM 904 C PRO A 65 1.574 -0.982 10.400 1.00 0.00 C ATOM 905 O PRO A 65 1.340 -1.995 11.060 1.00 0.00 O ATOM 906 CB PRO A 65 1.005 0.040 8.171 1.00 0.00 C ATOM 907 CG PRO A 65 -0.196 -0.640 7.614 1.00 0.00 C ATOM 908 CD PRO A 65 0.246 -2.035 7.284 1.00 0.00 C ATOM 0 HA PRO A 65 2.869 -0.991 8.754 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.723 0.837 8.859 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.602 0.496 7.381 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.012 -0.648 8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.562 -0.124 6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.582 -2.743 7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.672 -2.099 6.283 1.00 0.00 H new ATOM 916 N HIS A 66 1.655 0.229 10.940 1.00 0.00 N ATOM 917 CA HIS A 66 1.470 0.441 12.371 1.00 0.00 C ATOM 918 C HIS A 66 2.516 -0.327 13.173 1.00 0.00 C ATOM 919 O HIS A 66 2.229 -0.839 14.255 1.00 0.00 O ATOM 920 CB HIS A 66 0.066 0.008 12.796 1.00 0.00 C ATOM 921 CG HIS A 66 -1.020 0.884 12.255 1.00 0.00 C ATOM 922 ND1 HIS A 66 -1.444 2.111 12.639 1.00 0.00 N flip ATOM 923 CD2 HIS A 66 -1.817 0.523 11.190 1.00 0.00 C flip ATOM 924 CE1 HIS A 66 -2.476 2.464 11.807 1.00 0.00 C flip ATOM 925 NE2 HIS A 66 -2.681 1.490 10.942 1.00 0.00 N flip ATOM 0 H HIS A 66 1.847 1.078 10.409 1.00 0.00 H new ATOM 0 HA HIS A 66 1.590 1.505 12.574 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.105 -1.016 12.464 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.010 0.004 13.885 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -1.066 2.669 13.405 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.746 -0.406 10.644 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.031 3.390 11.853 1.00 0.00 H new ATOM 934 N CYS A 67 3.729 -0.404 12.635 1.00 0.00 N ATOM 935 CA CYS A 67 4.817 -1.111 13.300 1.00 0.00 C ATOM 936 C CYS A 67 5.794 -0.130 13.940 1.00 0.00 C ATOM 937 O CYS A 67 5.880 -0.110 15.186 1.00 0.00 O ATOM 938 CB CYS A 67 5.556 -2.008 12.304 1.00 0.00 C ATOM 939 SG CYS A 67 6.096 -1.151 10.790 1.00 0.00 S ATOM 940 OXT CYS A 67 6.466 0.609 13.190 1.00 0.00 O ATOM 0 H CYS A 67 3.983 0.015 11.740 1.00 0.00 H new ATOM 0 HA CYS A 67 4.386 -1.731 14.086 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.428 -2.438 12.796 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.906 -2.838 12.027 1.00 0.00 H new TER 945 CYS A 67 HETATM 946 C1 PGM A 68 -14.178 -0.232 13.993 1.00 0.00 C HETATM 947 O1 PGM A 68 -14.512 -0.131 15.355 1.00 0.00 O HETATM 948 C2 PGM A 68 -12.892 0.433 13.765 1.00 0.00 C HETATM 949 O2 PGM A 68 -13.064 1.823 13.891 1.00 0.00 O HETATM 950 C3 PGM A 68 -12.349 0.135 12.438 1.00 0.00 C HETATM 951 O4 PGM A 68 -10.921 0.257 12.495 1.00 0.00 O HETATM 952 P5 PGM A 68 -10.043 -1.083 12.560 1.00 0.00 P HETATM 953 O5A PGM A 68 -10.221 -1.718 13.886 1.00 0.00 O HETATM 954 O5B PGM A 68 -10.340 -1.895 11.360 1.00 0.00 O HETATM 955 O6 PGM A 68 -8.527 -0.584 12.453 1.00 0.00 O HETATM 956 C7 PGM A 68 -7.427 -1.552 12.714 1.00 0.00 C HETATM 957 C8 PGM A 68 -6.094 -1.073 12.339 1.00 0.00 C HETATM 958 O8 PGM A 68 -5.689 0.168 12.860 1.00 0.00 O HETATM 959 C9 PGM A 68 -5.904 -1.070 10.911 1.00 0.00 C HETATM 960 OQ1 PGM A 68 -7.422 0.184 8.614 1.00 0.00 O HETATM 961 OQ2 PGM A 68 -6.140 0.293 10.344 1.00 0.00 O HETATM 962 CA PGM A 68 -6.292 0.414 9.167 1.00 0.00 C HETATM 963 CB PGM A 68 -5.243 0.928 8.279 1.00 0.00 C HETATM 964 CC PGM A 68 -4.820 0.013 7.159 1.00 0.00 C HETATM 965 CD PGM A 68 -3.333 -0.139 6.999 1.00 0.00 C HETATM 966 CE PGM A 68 -2.928 -1.190 6.010 1.00 0.00 C HETATM 967 CF PGM A 68 -2.724 -0.681 4.615 1.00 0.00 C HETATM 968 CG PGM A 68 -1.288 -0.557 4.198 1.00 0.00 C HETATM 969 CH PGM A 68 -1.065 0.071 2.863 1.00 0.00 C HETATM 970 CI PGM A 68 0.281 0.687 2.669 1.00 0.00 C HETATM 971 CJ PGM A 68 0.438 1.459 1.402 1.00 0.00 C HETATM 972 CK PGM A 68 1.641 2.342 1.333 1.00 0.00 C HETATM 973 CL PGM A 68 1.357 3.786 1.056 1.00 0.00 C HETATM 974 CM PGM A 68 2.178 4.400 -0.032 1.00 0.00 C HETATM 975 CN PGM A 68 1.429 5.293 -0.968 1.00 0.00 C HETATM 976 CO PGM A 68 1.649 5.020 -2.421 1.00 0.00 C HETATM 977 CP PGM A 68 2.780 5.792 -3.032 1.00 0.00 C HETATM 0 HCP3 PGM A 68 2.585 6.860 -2.935 1.00 0.00 H new HETATM 0 HCP2 PGM A 68 3.709 5.545 -2.518 1.00 0.00 H new HETATM 0 HCP1 PGM A 68 2.869 5.533 -4.087 1.00 0.00 H new HETATM 0 HCO2 PGM A 68 1.839 3.955 -2.553 1.00 0.00 H new HETATM 0 HCO1 PGM A 68 0.733 5.250 -2.964 1.00 0.00 H new HETATM 0 HCN2 PGM A 68 0.364 5.204 -0.755 1.00 0.00 H new HETATM 0 HCN1 PGM A 68 1.710 6.326 -0.762 1.00 0.00 H new HETATM 0 HCM2 PGM A 68 2.985 4.973 0.424 1.00 0.00 H new HETATM 0 HCM1 PGM A 68 2.641 3.601 -0.611 1.00 0.00 H new HETATM 0 HCL2 PGM A 68 0.303 3.889 0.796 1.00 0.00 H new HETATM 0 HCL1 PGM A 68 1.516 4.353 1.973 1.00 0.00 H new HETATM 0 HCK2 PGM A 68 2.180 2.269 2.278 1.00 0.00 H new HETATM 0 HCK1 PGM A 68 2.306 1.963 0.556 1.00 0.00 H new HETATM 0 HCJ2 PGM A 68 0.477 0.755 0.570 1.00 0.00 H new HETATM 0 HCJ1 PGM A 68 -0.451 2.073 1.258 1.00 0.00 H new HETATM 0 HCI2 PGM A 68 0.487 1.350 3.510 1.00 0.00 H new HETATM 0 HCI1 PGM A 68 1.033 -0.102 2.693 1.00 0.00 H new HETATM 0 HCH2 PGM A 68 -1.215 -0.686 2.093 1.00 0.00 H new HETATM 0 HCH1 PGM A 68 -1.824 0.838 2.708 1.00 0.00 H new HETATM 0 HCG2 PGM A 68 -0.757 0.028 4.950 1.00 0.00 H new HETATM 0 HCG1 PGM A 68 -0.841 -1.551 4.193 1.00 0.00 H new HETATM 0 HCF2 PGM A 68 -3.234 -1.349 3.921 1.00 0.00 H new HETATM 0 HCF1 PGM A 68 -3.200 0.295 4.526 1.00 0.00 H new HETATM 0 HCE2 PGM A 68 -2.004 -1.657 6.352 1.00 0.00 H new HETATM 0 HCE1 PGM A 68 -3.691 -1.968 5.992 1.00 0.00 H new HETATM 0 HCD2 PGM A 68 -2.912 0.818 6.689 1.00 0.00 H new HETATM 0 HCD1 PGM A 68 -2.897 -0.380 7.968 1.00 0.00 H new HETATM 0 HCC2 PGM A 68 -5.256 -0.972 7.328 1.00 0.00 H new HETATM 0 HCC1 PGM A 68 -5.236 0.389 6.224 1.00 0.00 H new HETATM 0 HCB2 PGM A 68 -5.589 1.866 7.845 1.00 0.00 H new HETATM 0 HCB1 PGM A 68 -4.366 1.161 8.882 1.00 0.00 H new HETATM 0 HC92 PGM A 68 -4.891 -1.396 10.674 1.00 0.00 H new HETATM 0 HC91 PGM A 68 -6.585 -1.784 10.448 1.00 0.00 H new HETATM 0 HC72 PGM A 68 -7.424 -1.802 13.775 1.00 0.00 H new HETATM 0 HC71 PGM A 68 -7.634 -2.474 12.170 1.00 0.00 H new HETATM 0 HC32 PGM A 68 -12.632 -0.872 12.130 1.00 0.00 H new HETATM 0 HC31 PGM A 68 -12.759 0.822 11.698 1.00 0.00 H new HETATM 0 HC12 PGM A 68 -14.118 -1.279 13.697 1.00 0.00 H new HETATM 0 HC11 PGM A 68 -14.953 0.228 13.380 1.00 0.00 H new HETATM 0 HO8 PGM A 68 -5.709 0.843 12.150 1.00 0.00 H new HETATM 0 HO2 PGM A 68 -12.207 2.274 13.741 1.00 0.00 H new HETATM 0 HO1 PGM A 68 -15.372 -0.572 15.514 1.00 0.00 H new HETATM 0 HC8 PGM A 68 -5.449 -1.808 12.820 1.00 0.00 H new HETATM 0 HC2 PGM A 68 -12.186 0.061 14.507 1.00 0.00 H new