USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 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 Single : A 1 GLU N :NH3+ -177:sc= 0 (180deg=-0.00902) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.122 USER MOD Single : A 9 ASN : amide:sc= -0.301 K(o=-0.3,f=-1.7!) USER MOD Single : A 10 GLN : amide:sc= -7! C(o=-7!,f=-16!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -152:sc= 0.708 USER MOD Single : A 25 HIS : no HE2:sc= -9.13! C(o=-9.1!,f=-6.8!) USER MOD Single : A 27 THR OG1 : rot 140:sc= -0.751 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.99! X(o=-2!,f=-2) USER MOD Single : A 33 ASN : amide:sc= -0.908 K(o=-0.91,f=-0.19) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -5.28! C(o=-5.3!,f=-5.2!) USER MOD Single : A 57 CYS SG : rot -44:sc=-0.000666 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 7.035 -12.237 22.560 1.00 0.00 N ATOM 2 CA GLU A 1 6.885 -11.025 21.773 1.00 0.00 C ATOM 3 C GLU A 1 6.301 -11.353 20.398 1.00 0.00 C ATOM 4 O GLU A 1 7.030 -11.737 19.485 1.00 0.00 O ATOM 5 CB GLU A 1 8.219 -10.289 21.641 1.00 0.00 C ATOM 6 CG GLU A 1 8.421 -9.306 22.796 1.00 0.00 C ATOM 7 CD GLU A 1 9.110 -9.986 23.980 1.00 0.00 C ATOM 8 OE1 GLU A 1 10.039 -10.779 23.717 1.00 0.00 O ATOM 9 OE2 GLU A 1 8.692 -9.697 25.122 1.00 0.00 O ATOM 0 H1 GLU A 1 7.385 -11.994 23.509 1.00 0.00 H new ATOM 0 H2 GLU A 1 6.114 -12.714 22.642 1.00 0.00 H new ATOM 0 H3 GLU A 1 7.714 -12.872 22.093 1.00 0.00 H new ATOM 0 HA GLU A 1 6.192 -10.362 22.291 1.00 0.00 H new ATOM 0 HB2 GLU A 1 9.036 -11.010 21.626 1.00 0.00 H new ATOM 0 HB3 GLU A 1 8.250 -9.752 20.693 1.00 0.00 H new ATOM 0 HG2 GLU A 1 9.021 -8.461 22.458 1.00 0.00 H new ATOM 0 HG3 GLU A 1 7.457 -8.907 23.112 1.00 0.00 H new ATOM 16 N GLU A 2 4.990 -11.190 20.293 1.00 0.00 N ATOM 17 CA GLU A 2 4.299 -11.464 19.044 1.00 0.00 C ATOM 18 C GLU A 2 4.923 -10.656 17.904 1.00 0.00 C ATOM 19 O GLU A 2 5.726 -9.756 18.144 1.00 0.00 O ATOM 20 CB GLU A 2 2.803 -11.171 19.170 1.00 0.00 C ATOM 21 CG GLU A 2 1.979 -12.451 19.012 1.00 0.00 C ATOM 22 CD GLU A 2 0.711 -12.189 18.196 1.00 0.00 C ATOM 23 OE1 GLU A 2 0.862 -11.720 17.048 1.00 0.00 O ATOM 24 OE2 GLU A 2 -0.380 -12.465 18.740 1.00 0.00 O ATOM 0 H GLU A 2 4.388 -10.872 21.052 1.00 0.00 H new ATOM 0 HA GLU A 2 4.410 -12.524 18.814 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.598 -10.719 20.141 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.505 -10.447 18.412 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.580 -13.217 18.521 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.710 -12.838 19.995 1.00 0.00 H new ATOM 31 N TYR A 3 4.528 -11.006 16.689 1.00 0.00 N ATOM 32 CA TYR A 3 5.038 -10.324 15.511 1.00 0.00 C ATOM 33 C TYR A 3 4.055 -9.256 15.028 1.00 0.00 C ATOM 34 O TYR A 3 2.863 -9.523 14.886 1.00 0.00 O ATOM 35 CB TYR A 3 5.179 -11.398 14.430 1.00 0.00 C ATOM 36 CG TYR A 3 3.883 -11.689 13.671 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.946 -12.548 14.209 1.00 0.00 C ATOM 38 CD2 TYR A 3 3.651 -11.094 12.448 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.727 -12.823 13.494 1.00 0.00 C ATOM 40 CE2 TYR A 3 2.431 -11.368 11.733 1.00 0.00 C ATOM 41 CZ TYR A 3 1.530 -12.219 12.291 1.00 0.00 C ATOM 42 OH TYR A 3 0.378 -12.479 11.616 1.00 0.00 O ATOM 0 H TYR A 3 3.861 -11.753 16.494 1.00 0.00 H new ATOM 0 HA TYR A 3 5.983 -9.828 15.733 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.943 -11.085 13.718 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.533 -12.320 14.892 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.127 -13.014 15.166 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.384 -10.423 12.027 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.986 -13.493 13.903 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.237 -10.908 10.775 1.00 0.00 H new ATOM 0 HH TYR A 3 0.372 -11.978 10.774 1.00 0.00 H new ATOM 52 N VAL A 4 4.593 -8.069 14.788 1.00 0.00 N ATOM 53 CA VAL A 4 3.778 -6.959 14.323 1.00 0.00 C ATOM 54 C VAL A 4 4.503 -6.242 13.183 1.00 0.00 C ATOM 55 O VAL A 4 5.352 -5.384 13.424 1.00 0.00 O ATOM 56 CB VAL A 4 3.439 -6.032 15.492 1.00 0.00 C ATOM 57 CG1 VAL A 4 2.946 -4.674 14.990 1.00 0.00 C ATOM 58 CG2 VAL A 4 2.413 -6.679 16.424 1.00 0.00 C ATOM 0 H VAL A 4 5.582 -7.852 14.907 1.00 0.00 H new ATOM 0 HA VAL A 4 2.829 -7.322 13.928 1.00 0.00 H new ATOM 0 HB VAL A 4 4.352 -5.865 16.064 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.712 -4.035 15.841 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.723 -4.205 14.387 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.051 -4.813 14.384 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.189 -6.000 17.247 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.499 -6.890 15.869 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.819 -7.609 16.822 1.00 0.00 H new ATOM 68 N GLY A 5 4.143 -6.619 11.965 1.00 0.00 N ATOM 69 CA GLY A 5 4.749 -6.023 10.786 1.00 0.00 C ATOM 70 C GLY A 5 3.715 -5.829 9.676 1.00 0.00 C ATOM 71 O GLY A 5 4.072 -5.558 8.530 1.00 0.00 O ATOM 0 H GLY A 5 3.439 -7.330 11.769 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.192 -5.062 11.047 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.558 -6.660 10.427 1.00 0.00 H new ATOM 75 N LEU A 6 2.454 -5.977 10.054 1.00 0.00 N ATOM 76 CA LEU A 6 1.365 -5.822 9.104 1.00 0.00 C ATOM 77 C LEU A 6 0.745 -4.433 9.268 1.00 0.00 C ATOM 78 O LEU A 6 -0.475 -4.301 9.363 1.00 0.00 O ATOM 79 CB LEU A 6 0.359 -6.966 9.251 1.00 0.00 C ATOM 80 CG LEU A 6 -0.503 -6.942 10.514 1.00 0.00 C ATOM 81 CD1 LEU A 6 -1.924 -6.471 10.199 1.00 0.00 C ATOM 82 CD2 LEU A 6 -0.493 -8.305 11.211 1.00 0.00 C ATOM 0 H LEU A 6 2.162 -6.203 11.005 1.00 0.00 H new ATOM 0 HA LEU A 6 1.739 -5.886 8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.301 -6.956 8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.905 -7.909 9.225 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.071 -6.221 11.208 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.516 -6.463 11.114 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.890 -5.465 9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.380 -7.149 9.478 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.114 -8.261 12.106 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.887 -9.063 10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.528 -8.563 11.490 1.00 0.00 H new ATOM 94 N SER A 7 1.612 -3.432 9.296 1.00 0.00 N ATOM 95 CA SER A 7 1.165 -2.058 9.447 1.00 0.00 C ATOM 96 C SER A 7 2.368 -1.136 9.656 1.00 0.00 C ATOM 97 O SER A 7 3.037 -1.207 10.686 1.00 0.00 O ATOM 98 CB SER A 7 0.184 -1.923 10.613 1.00 0.00 C ATOM 99 OG SER A 7 0.522 -2.783 11.697 1.00 0.00 O ATOM 0 H SER A 7 2.623 -3.545 9.217 1.00 0.00 H new ATOM 0 HA SER A 7 0.645 -1.765 8.535 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.173 -0.890 10.960 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.824 -2.154 10.268 1.00 0.00 H new ATOM 0 HG SER A 7 -0.127 -2.666 12.422 1.00 0.00 H new ATOM 105 N ALA A 8 2.606 -0.292 8.663 1.00 0.00 N ATOM 106 CA ALA A 8 3.717 0.643 8.725 1.00 0.00 C ATOM 107 C ALA A 8 4.987 -0.047 8.225 1.00 0.00 C ATOM 108 O ALA A 8 5.624 0.424 7.284 1.00 0.00 O ATOM 109 CB ALA A 8 3.863 1.168 10.155 1.00 0.00 C ATOM 0 H ALA A 8 2.048 -0.236 7.811 1.00 0.00 H new ATOM 0 HA ALA A 8 3.533 1.502 8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.696 1.869 10.202 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.945 1.675 10.452 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.052 0.334 10.831 1.00 0.00 H new ATOM 115 N ASN A 9 5.318 -1.153 8.876 1.00 0.00 N ATOM 116 CA ASN A 9 6.501 -1.912 8.509 1.00 0.00 C ATOM 117 C ASN A 9 6.354 -2.412 7.070 1.00 0.00 C ATOM 118 O ASN A 9 7.237 -2.194 6.241 1.00 0.00 O ATOM 119 CB ASN A 9 6.676 -3.131 9.417 1.00 0.00 C ATOM 120 CG ASN A 9 8.070 -3.740 9.254 1.00 0.00 C ATOM 121 OD1 ASN A 9 8.713 -3.617 8.224 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.500 -4.402 10.324 1.00 0.00 N ATOM 0 H ASN A 9 4.787 -1.541 9.656 1.00 0.00 H new ATOM 0 HA ASN A 9 7.367 -1.258 8.611 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.521 -2.840 10.456 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.919 -3.878 9.179 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.419 -4.845 10.314 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.911 -4.467 11.154 1.00 0.00 H new ATOM 129 N GLN A 10 5.234 -3.072 6.818 1.00 0.00 N ATOM 130 CA GLN A 10 4.961 -3.604 5.493 1.00 0.00 C ATOM 131 C GLN A 10 4.790 -2.464 4.488 1.00 0.00 C ATOM 132 O GLN A 10 5.048 -2.637 3.298 1.00 0.00 O ATOM 133 CB GLN A 10 3.728 -4.510 5.510 1.00 0.00 C ATOM 134 CG GLN A 10 2.560 -3.834 6.232 1.00 0.00 C ATOM 135 CD GLN A 10 1.232 -4.503 5.873 1.00 0.00 C ATOM 136 OE1 GLN A 10 0.439 -4.866 6.726 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.035 -4.646 4.565 1.00 0.00 N ATOM 0 H GLN A 10 4.505 -3.251 7.508 1.00 0.00 H new ATOM 0 HA GLN A 10 5.813 -4.210 5.183 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.437 -4.753 4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.970 -5.451 6.005 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.716 -3.883 7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.524 -2.778 5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.740 -4.320 3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.179 -5.082 4.223 1.00 0.00 H new ATOM 146 N CYS A 11 4.355 -1.323 5.003 1.00 0.00 N ATOM 147 CA CYS A 11 4.146 -0.155 4.165 1.00 0.00 C ATOM 148 C CYS A 11 5.131 0.932 4.603 1.00 0.00 C ATOM 149 O CYS A 11 4.751 2.091 4.761 1.00 0.00 O ATOM 150 CB CYS A 11 2.697 0.332 4.224 1.00 0.00 C ATOM 151 SG CYS A 11 1.459 -0.980 4.535 1.00 0.00 S ATOM 0 H CYS A 11 4.142 -1.183 5.991 1.00 0.00 H new ATOM 0 HA CYS A 11 4.331 -0.414 3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.613 1.085 5.008 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.455 0.824 3.282 1.00 0.00 H new ATOM 156 N ALA A 12 6.376 0.518 4.785 1.00 0.00 N ATOM 157 CA ALA A 12 7.418 1.442 5.201 1.00 0.00 C ATOM 158 C ALA A 12 8.484 1.528 4.107 1.00 0.00 C ATOM 159 O ALA A 12 9.658 1.255 4.356 1.00 0.00 O ATOM 160 CB ALA A 12 7.996 0.990 6.544 1.00 0.00 C ATOM 0 H ALA A 12 6.687 -0.444 4.652 1.00 0.00 H new ATOM 0 HA ALA A 12 7.009 2.442 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.777 1.683 6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.205 0.974 7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.418 -0.010 6.441 1.00 0.00 H new ATOM 166 N VAL A 13 8.038 1.907 2.918 1.00 0.00 N ATOM 167 CA VAL A 13 8.939 2.031 1.785 1.00 0.00 C ATOM 168 C VAL A 13 9.397 3.486 1.662 1.00 0.00 C ATOM 169 O VAL A 13 8.683 4.402 2.067 1.00 0.00 O ATOM 170 CB VAL A 13 8.260 1.509 0.517 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.236 0.686 -0.327 1.00 0.00 C ATOM 172 CG2 VAL A 13 7.011 0.695 0.860 1.00 0.00 C ATOM 0 H VAL A 13 7.064 2.132 2.715 1.00 0.00 H new ATOM 0 HA VAL A 13 9.829 1.420 1.935 1.00 0.00 H new ATOM 0 HB VAL A 13 7.947 2.369 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.729 0.326 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.083 1.309 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.592 -0.164 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.547 0.336 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.290 -0.155 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.304 1.324 1.401 1.00 0.00 H new ATOM 182 N PRO A 14 10.617 3.657 1.085 1.00 0.00 N ATOM 183 CA PRO A 14 11.179 4.984 0.903 1.00 0.00 C ATOM 184 C PRO A 14 10.493 5.717 -0.251 1.00 0.00 C ATOM 185 O PRO A 14 10.865 6.840 -0.588 1.00 0.00 O ATOM 186 CB PRO A 14 12.662 4.754 0.663 1.00 0.00 C ATOM 187 CG PRO A 14 12.797 3.295 0.257 1.00 0.00 C ATOM 188 CD PRO A 14 11.490 2.595 0.594 1.00 0.00 C ATOM 0 HA PRO A 14 11.025 5.628 1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.038 5.413 -0.119 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.241 4.964 1.563 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.010 3.213 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.628 2.827 0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.065 2.107 -0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.638 1.823 1.349 1.00 0.00 H new ATOM 196 N ALA A 15 9.502 5.051 -0.826 1.00 0.00 N ATOM 197 CA ALA A 15 8.760 5.625 -1.936 1.00 0.00 C ATOM 198 C ALA A 15 9.500 5.335 -3.243 1.00 0.00 C ATOM 199 O ALA A 15 8.888 5.282 -4.309 1.00 0.00 O ATOM 200 CB ALA A 15 8.563 7.124 -1.698 1.00 0.00 C ATOM 0 H ALA A 15 9.196 4.120 -0.544 1.00 0.00 H new ATOM 0 HA ALA A 15 7.771 5.174 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.007 7.555 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.007 7.276 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.535 7.611 -1.621 1.00 0.00 H new ATOM 206 N LYS A 16 10.807 5.154 -3.118 1.00 0.00 N ATOM 207 CA LYS A 16 11.637 4.871 -4.277 1.00 0.00 C ATOM 208 C LYS A 16 11.692 3.358 -4.502 1.00 0.00 C ATOM 209 O LYS A 16 12.403 2.884 -5.386 1.00 0.00 O ATOM 210 CB LYS A 16 13.014 5.519 -4.120 1.00 0.00 C ATOM 211 CG LYS A 16 13.772 4.918 -2.935 1.00 0.00 C ATOM 212 CD LYS A 16 14.656 3.752 -3.384 1.00 0.00 C ATOM 213 CE LYS A 16 15.872 4.254 -4.165 1.00 0.00 C ATOM 214 NZ LYS A 16 16.717 3.118 -4.595 1.00 0.00 N ATOM 0 H LYS A 16 11.311 5.198 -2.232 1.00 0.00 H new ATOM 0 HA LYS A 16 11.202 5.312 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.592 5.380 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.900 6.593 -3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.387 5.685 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.063 4.573 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.987 3.186 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.076 3.070 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.543 4.821 -5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.455 4.934 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.538 3.476 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.046 2.594 -3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.162 2.484 -5.205 1.00 0.00 H new ATOM 228 N ASP A 17 10.931 2.643 -3.686 1.00 0.00 N ATOM 229 CA ASP A 17 10.884 1.194 -3.786 1.00 0.00 C ATOM 230 C ASP A 17 9.425 0.741 -3.880 1.00 0.00 C ATOM 231 O ASP A 17 9.110 -0.413 -3.592 1.00 0.00 O ATOM 232 CB ASP A 17 11.504 0.537 -2.551 1.00 0.00 C ATOM 233 CG ASP A 17 12.685 -0.392 -2.837 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.988 -0.572 -4.036 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.259 -0.901 -1.850 1.00 0.00 O ATOM 0 H ASP A 17 10.343 3.040 -2.953 1.00 0.00 H new ATOM 0 HA ASP A 17 11.445 0.898 -4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.834 1.320 -1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.731 -0.031 -2.034 1.00 0.00 H new ATOM 240 N ARG A 18 8.575 1.673 -4.285 1.00 0.00 N ATOM 241 CA ARG A 18 7.157 1.384 -4.421 1.00 0.00 C ATOM 242 C ARG A 18 6.902 0.567 -5.689 1.00 0.00 C ATOM 243 O ARG A 18 7.451 0.870 -6.748 1.00 0.00 O ATOM 244 CB ARG A 18 6.335 2.673 -4.477 1.00 0.00 C ATOM 245 CG ARG A 18 6.836 3.688 -3.448 1.00 0.00 C ATOM 246 CD ARG A 18 6.151 3.480 -2.095 1.00 0.00 C ATOM 247 NE ARG A 18 5.702 4.780 -1.550 1.00 0.00 N ATOM 248 CZ ARG A 18 5.653 5.070 -0.243 1.00 0.00 C ATOM 249 NH1 ARG A 18 6.024 4.153 0.661 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.232 6.277 0.161 1.00 0.00 N ATOM 0 H ARG A 18 8.841 2.629 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 18 6.850 0.810 -3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.395 3.103 -5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.285 2.448 -4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.915 3.591 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.643 4.699 -3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.299 2.810 -2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.841 3.003 -1.399 1.00 0.00 H new ATOM 0 HE ARG A 18 5.412 5.501 -2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.344 3.234 0.354 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.987 4.374 1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.949 6.975 -0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.195 6.497 1.156 1.00 0.00 H new ATOM 264 N VAL A 19 6.067 -0.451 -5.541 1.00 0.00 N ATOM 265 CA VAL A 19 5.732 -1.313 -6.662 1.00 0.00 C ATOM 266 C VAL A 19 4.446 -0.809 -7.321 1.00 0.00 C ATOM 267 O VAL A 19 3.953 -1.414 -8.272 1.00 0.00 O ATOM 268 CB VAL A 19 5.634 -2.766 -6.194 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.575 -3.723 -7.386 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.794 -3.121 -5.262 1.00 0.00 C ATOM 0 H VAL A 19 5.613 -0.698 -4.662 1.00 0.00 H new ATOM 0 HA VAL A 19 6.518 -1.281 -7.416 1.00 0.00 H new ATOM 0 HB VAL A 19 4.707 -2.875 -5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.506 -4.749 -7.026 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.701 -3.492 -7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.476 -3.610 -7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.700 -4.159 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.739 -2.987 -5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.771 -2.470 -4.388 1.00 0.00 H new ATOM 280 N ASP A 20 3.940 0.294 -6.789 1.00 0.00 N ATOM 281 CA ASP A 20 2.721 0.886 -7.313 1.00 0.00 C ATOM 282 C ASP A 20 1.696 -0.218 -7.579 1.00 0.00 C ATOM 283 O ASP A 20 1.712 -0.844 -8.637 1.00 0.00 O ATOM 284 CB ASP A 20 2.985 1.613 -8.634 1.00 0.00 C ATOM 285 CG ASP A 20 1.736 1.934 -9.457 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.667 2.090 -8.828 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.879 2.016 -10.696 1.00 0.00 O ATOM 0 H ASP A 20 4.352 0.793 -6.001 1.00 0.00 H new ATOM 0 HA ASP A 20 2.349 1.598 -6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.510 2.544 -8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.654 1.002 -9.240 1.00 0.00 H new ATOM 292 N CYS A 21 0.828 -0.423 -6.599 1.00 0.00 N ATOM 293 CA CYS A 21 -0.203 -1.441 -6.713 1.00 0.00 C ATOM 294 C CYS A 21 -1.209 -0.988 -7.773 1.00 0.00 C ATOM 295 O CYS A 21 -1.907 -1.812 -8.364 1.00 0.00 O ATOM 296 CB CYS A 21 -0.877 -1.717 -5.368 1.00 0.00 C ATOM 297 SG CYS A 21 -1.041 -3.489 -4.941 1.00 0.00 S ATOM 0 H CYS A 21 0.817 0.098 -5.722 1.00 0.00 H new ATOM 0 HA CYS A 21 0.247 -2.385 -7.020 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.307 -1.220 -4.583 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.869 -1.266 -5.376 1.00 0.00 H new ATOM 302 N GLY A 22 -1.253 0.319 -7.982 1.00 0.00 N ATOM 303 CA GLY A 22 -2.162 0.891 -8.961 1.00 0.00 C ATOM 304 C GLY A 22 -3.619 0.691 -8.538 1.00 0.00 C ATOM 305 O GLY A 22 -4.199 -0.367 -8.779 1.00 0.00 O ATOM 0 H GLY A 22 -0.674 0.999 -7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.956 1.955 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.995 0.427 -9.933 1.00 0.00 H new ATOM 309 N TYR A 23 -4.169 1.723 -7.916 1.00 0.00 N ATOM 310 CA TYR A 23 -5.547 1.674 -7.458 1.00 0.00 C ATOM 311 C TYR A 23 -6.262 2.999 -7.727 1.00 0.00 C ATOM 312 O TYR A 23 -5.634 4.057 -7.736 1.00 0.00 O ATOM 313 CB TYR A 23 -5.481 1.441 -5.947 1.00 0.00 C ATOM 314 CG TYR A 23 -5.456 -0.035 -5.545 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.607 -0.791 -5.627 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.283 -0.609 -5.101 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.584 -2.180 -5.249 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.260 -1.998 -4.722 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.412 -2.715 -4.815 1.00 0.00 C ATOM 320 OH TYR A 23 -5.390 -4.028 -4.458 1.00 0.00 O ATOM 0 H TYR A 23 -3.685 2.599 -7.718 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.097 0.890 -7.979 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.590 1.929 -5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.340 1.920 -5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.525 -0.341 -5.975 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.382 -0.017 -5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.478 -2.783 -5.309 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.349 -2.460 -4.372 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.688 -4.174 -3.789 1.00 0.00 H new ATOM 330 N PRO A 24 -7.600 2.896 -7.946 1.00 0.00 N ATOM 331 CA PRO A 24 -8.407 4.074 -8.215 1.00 0.00 C ATOM 332 C PRO A 24 -8.644 4.881 -6.937 1.00 0.00 C ATOM 333 O PRO A 24 -7.974 5.885 -6.699 1.00 0.00 O ATOM 334 CB PRO A 24 -9.692 3.539 -8.826 1.00 0.00 C ATOM 335 CG PRO A 24 -9.751 2.067 -8.450 1.00 0.00 C ATOM 336 CD PRO A 24 -8.377 1.660 -7.944 1.00 0.00 C ATOM 0 HA PRO A 24 -7.918 4.772 -8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.560 4.075 -8.442 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.692 3.666 -9.909 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.506 1.899 -7.682 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.034 1.464 -9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.435 1.230 -6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.925 0.907 -8.589 1.00 0.00 H new ATOM 344 N HIS A 25 -9.598 4.411 -6.146 1.00 0.00 N ATOM 345 CA HIS A 25 -9.931 5.076 -4.898 1.00 0.00 C ATOM 346 C HIS A 25 -9.038 4.539 -3.777 1.00 0.00 C ATOM 347 O HIS A 25 -9.420 3.611 -3.066 1.00 0.00 O ATOM 348 CB HIS A 25 -11.422 4.934 -4.588 1.00 0.00 C ATOM 349 CG HIS A 25 -11.823 3.558 -4.113 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.940 3.331 -3.329 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.244 2.340 -4.320 1.00 0.00 C ATOM 352 CE1 HIS A 25 -13.020 2.032 -3.080 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.968 1.419 -3.695 1.00 0.00 N ATOM 0 H HIS A 25 -10.151 3.577 -6.346 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.739 6.145 -4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.695 5.664 -3.826 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.994 5.179 -5.483 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -13.592 4.043 -2.999 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.348 2.156 -4.895 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.784 1.544 -2.493 1.00 0.00 H new ATOM 362 N VAL A 26 -7.867 5.147 -3.654 1.00 0.00 N ATOM 363 CA VAL A 26 -6.918 4.742 -2.632 1.00 0.00 C ATOM 364 C VAL A 26 -7.088 5.634 -1.401 1.00 0.00 C ATOM 365 O VAL A 26 -7.294 6.840 -1.528 1.00 0.00 O ATOM 366 CB VAL A 26 -5.496 4.769 -3.198 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.315 3.699 -4.276 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.148 6.157 -3.738 1.00 0.00 C ATOM 0 H VAL A 26 -7.554 5.917 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.110 3.716 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.806 4.544 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.296 3.740 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.501 2.715 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.018 3.879 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.133 6.149 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.845 6.424 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.218 6.889 -2.933 1.00 0.00 H new ATOM 378 N THR A 27 -6.997 5.007 -0.237 1.00 0.00 N ATOM 379 CA THR A 27 -7.138 5.730 1.015 1.00 0.00 C ATOM 380 C THR A 27 -6.368 5.020 2.130 1.00 0.00 C ATOM 381 O THR A 27 -5.886 3.904 1.944 1.00 0.00 O ATOM 382 CB THR A 27 -8.633 5.879 1.309 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.984 4.656 1.950 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.481 5.889 0.036 1.00 0.00 C ATOM 0 H THR A 27 -6.827 4.006 -0.135 1.00 0.00 H new ATOM 0 HA THR A 27 -6.704 6.728 0.947 1.00 0.00 H new ATOM 0 HB THR A 27 -8.804 6.800 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.604 4.839 2.686 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.533 5.997 0.300 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.178 6.724 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.337 4.954 -0.505 1.00 0.00 H new ATOM 392 N PRO A 28 -6.273 5.715 3.296 1.00 0.00 N ATOM 393 CA PRO A 28 -5.569 5.163 4.441 1.00 0.00 C ATOM 394 C PRO A 28 -6.398 4.071 5.120 1.00 0.00 C ATOM 395 O PRO A 28 -6.438 3.989 6.346 1.00 0.00 O ATOM 396 CB PRO A 28 -5.299 6.353 5.347 1.00 0.00 C ATOM 397 CG PRO A 28 -6.262 7.442 4.903 1.00 0.00 C ATOM 398 CD PRO A 28 -6.831 7.039 3.553 1.00 0.00 C ATOM 0 HA PRO A 28 -4.637 4.670 4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.460 6.092 6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.265 6.686 5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.062 7.565 5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.747 8.400 4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.920 7.012 3.575 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.545 7.747 2.775 1.00 0.00 H new ATOM 406 N LYS A 29 -7.040 3.259 4.292 1.00 0.00 N ATOM 407 CA LYS A 29 -7.866 2.176 4.797 1.00 0.00 C ATOM 408 C LYS A 29 -8.450 1.394 3.619 1.00 0.00 C ATOM 409 O LYS A 29 -8.396 0.165 3.596 1.00 0.00 O ATOM 410 CB LYS A 29 -8.923 2.713 5.763 1.00 0.00 C ATOM 411 CG LYS A 29 -9.291 1.663 6.813 1.00 0.00 C ATOM 412 CD LYS A 29 -10.467 0.805 6.342 1.00 0.00 C ATOM 413 CE LYS A 29 -11.499 0.629 7.458 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.740 0.022 6.926 1.00 0.00 N ATOM 0 H LYS A 29 -7.004 3.330 3.275 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.264 1.477 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.548 3.610 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.814 3.004 5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.429 1.026 7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.548 2.156 7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.938 1.271 5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.104 -0.171 6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.087 -0.002 8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.724 1.596 7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.429 -0.090 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.140 0.639 6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.523 -0.909 6.517 1.00 0.00 H new ATOM 428 N GLU A 30 -8.996 2.139 2.668 1.00 0.00 N ATOM 429 CA GLU A 30 -9.589 1.531 1.489 1.00 0.00 C ATOM 430 C GLU A 30 -8.505 0.901 0.613 1.00 0.00 C ATOM 431 O GLU A 30 -8.668 -0.215 0.122 1.00 0.00 O ATOM 432 CB GLU A 30 -10.409 2.553 0.699 1.00 0.00 C ATOM 433 CG GLU A 30 -11.078 1.900 -0.513 1.00 0.00 C ATOM 434 CD GLU A 30 -12.602 1.950 -0.389 1.00 0.00 C ATOM 435 OE1 GLU A 30 -13.144 3.071 -0.496 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.191 0.865 -0.191 1.00 0.00 O ATOM 0 H GLU A 30 -9.040 3.158 2.690 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.268 0.743 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.169 2.993 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.763 3.366 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.766 2.411 -1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.750 0.864 -0.600 1.00 0.00 H new ATOM 443 N CYS A 31 -7.421 1.645 0.443 1.00 0.00 N ATOM 444 CA CYS A 31 -6.310 1.174 -0.366 1.00 0.00 C ATOM 445 C CYS A 31 -5.707 -0.056 0.316 1.00 0.00 C ATOM 446 O CYS A 31 -5.328 -1.017 -0.352 1.00 0.00 O ATOM 447 CB CYS A 31 -5.267 2.271 -0.589 1.00 0.00 C ATOM 448 SG CYS A 31 -3.567 1.666 -0.889 1.00 0.00 S ATOM 0 H CYS A 31 -7.289 2.570 0.852 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.670 0.899 -1.358 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.576 2.879 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.256 2.925 0.283 1.00 0.00 H new ATOM 453 N ASN A 32 -5.635 0.015 1.637 1.00 0.00 N ATOM 454 CA ASN A 32 -5.085 -1.080 2.417 1.00 0.00 C ATOM 455 C ASN A 32 -6.161 -2.149 2.618 1.00 0.00 C ATOM 456 O ASN A 32 -5.893 -3.205 3.188 1.00 0.00 O ATOM 457 CB ASN A 32 -4.631 -0.600 3.797 1.00 0.00 C ATOM 458 CG ASN A 32 -5.393 -1.325 4.908 1.00 0.00 C ATOM 459 OD1 ASN A 32 -4.851 -2.134 5.643 1.00 0.00 O ATOM 460 ND2 ASN A 32 -6.678 -0.992 4.988 1.00 0.00 N ATOM 0 H ASN A 32 -5.949 0.815 2.187 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.229 -1.482 1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.561 -0.773 3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.791 0.475 3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.273 -1.422 5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.069 -0.307 4.341 1.00 0.00 H new ATOM 467 N ASN A 33 -7.356 -1.837 2.139 1.00 0.00 N ATOM 468 CA ASN A 33 -8.474 -2.757 2.259 1.00 0.00 C ATOM 469 C ASN A 33 -8.666 -3.496 0.933 1.00 0.00 C ATOM 470 O ASN A 33 -8.996 -4.681 0.921 1.00 0.00 O ATOM 471 CB ASN A 33 -9.771 -2.010 2.576 1.00 0.00 C ATOM 472 CG ASN A 33 -10.972 -2.957 2.540 1.00 0.00 C ATOM 473 OD1 ASN A 33 -11.389 -3.511 3.544 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.503 -3.112 1.331 1.00 0.00 N ATOM 0 H ASN A 33 -7.574 -0.960 1.667 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.252 -3.453 3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.697 -1.548 3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.916 -1.205 1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.308 -3.724 1.202 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.105 -2.618 0.532 1.00 0.00 H new ATOM 481 N ARG A 34 -8.449 -2.766 -0.151 1.00 0.00 N ATOM 482 CA ARG A 34 -8.594 -3.338 -1.479 1.00 0.00 C ATOM 483 C ARG A 34 -7.637 -4.519 -1.656 1.00 0.00 C ATOM 484 O ARG A 34 -7.906 -5.428 -2.439 1.00 0.00 O ATOM 485 CB ARG A 34 -8.311 -2.294 -2.561 1.00 0.00 C ATOM 486 CG ARG A 34 -9.275 -2.451 -3.739 1.00 0.00 C ATOM 487 CD ARG A 34 -10.707 -2.107 -3.325 1.00 0.00 C ATOM 488 NE ARG A 34 -11.635 -2.366 -4.449 1.00 0.00 N ATOM 489 CZ ARG A 34 -12.128 -3.574 -4.752 1.00 0.00 C ATOM 490 NH1 ARG A 34 -11.785 -4.642 -4.018 1.00 0.00 N ATOM 491 NH2 ARG A 34 -12.964 -3.716 -5.790 1.00 0.00 N ATOM 0 H ARG A 34 -8.174 -1.784 -0.137 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.623 -3.682 -1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.406 -1.293 -2.140 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.284 -2.397 -2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.963 -1.802 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.236 -3.475 -4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.997 -2.702 -2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.767 -1.060 -3.027 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.916 -1.575 -5.029 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.148 -4.535 -3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.161 -5.562 -4.249 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.225 -2.904 -6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.339 -4.636 -6.020 1.00 0.00 H new ATOM 505 N GLY A 35 -6.540 -4.466 -0.915 1.00 0.00 N ATOM 506 CA GLY A 35 -5.542 -5.520 -0.980 1.00 0.00 C ATOM 507 C GLY A 35 -4.171 -4.955 -1.355 1.00 0.00 C ATOM 508 O GLY A 35 -3.692 -5.167 -2.468 1.00 0.00 O ATOM 0 H GLY A 35 -6.320 -3.710 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.479 -6.026 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.844 -6.267 -1.714 1.00 0.00 H new ATOM 512 N CYS A 36 -3.579 -4.245 -0.406 1.00 0.00 N ATOM 513 CA CYS A 36 -2.273 -3.647 -0.623 1.00 0.00 C ATOM 514 C CYS A 36 -1.986 -2.686 0.532 1.00 0.00 C ATOM 515 O CYS A 36 -2.563 -2.817 1.611 1.00 0.00 O ATOM 516 CB CYS A 36 -2.189 -2.948 -1.981 1.00 0.00 C ATOM 517 SG CYS A 36 -0.818 -3.514 -3.053 1.00 0.00 S ATOM 0 H CYS A 36 -3.980 -4.070 0.515 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.512 -4.427 -0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.130 -3.098 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.083 -1.876 -1.816 1.00 0.00 H new ATOM 522 N CYS A 37 -1.095 -1.742 0.267 1.00 0.00 N ATOM 523 CA CYS A 37 -0.725 -0.759 1.272 1.00 0.00 C ATOM 524 C CYS A 37 -1.034 0.633 0.718 1.00 0.00 C ATOM 525 O CYS A 37 -1.010 0.843 -0.494 1.00 0.00 O ATOM 526 CB CYS A 37 0.742 -0.896 1.684 1.00 0.00 C ATOM 527 SG CYS A 37 1.051 -2.096 3.031 1.00 0.00 S ATOM 0 H CYS A 37 -0.618 -1.637 -0.629 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.306 -0.926 2.179 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.324 -1.193 0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.110 0.081 1.995 1.00 0.00 H new ATOM 532 N PHE A 38 -1.319 1.549 1.632 1.00 0.00 N ATOM 533 CA PHE A 38 -1.632 2.915 1.251 1.00 0.00 C ATOM 534 C PHE A 38 -0.568 3.887 1.766 1.00 0.00 C ATOM 535 O PHE A 38 0.330 3.493 2.508 1.00 0.00 O ATOM 536 CB PHE A 38 -2.976 3.262 1.894 1.00 0.00 C ATOM 537 CG PHE A 38 -3.386 4.727 1.729 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.995 5.138 0.585 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.140 5.618 2.727 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.375 6.498 0.432 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.520 6.978 2.574 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.129 7.389 1.429 1.00 0.00 C ATOM 0 H PHE A 38 -1.340 1.371 2.636 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.666 2.999 0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.749 2.628 1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.930 3.026 2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.190 4.430 -0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.656 5.291 3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.859 6.824 -0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.326 7.686 3.366 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.417 8.423 1.312 1.00 0.00 H new ATOM 552 N ASP A 39 -0.704 5.138 1.351 1.00 0.00 N ATOM 553 CA ASP A 39 0.235 6.168 1.761 1.00 0.00 C ATOM 554 C ASP A 39 -0.131 7.487 1.077 1.00 0.00 C ATOM 555 O ASP A 39 -0.516 7.498 -0.092 1.00 0.00 O ATOM 556 CB ASP A 39 1.664 5.805 1.353 1.00 0.00 C ATOM 557 CG ASP A 39 2.719 6.862 1.685 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.197 6.844 2.840 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.025 7.664 0.776 1.00 0.00 O ATOM 0 H ASP A 39 -1.450 5.461 0.735 1.00 0.00 H new ATOM 0 HA ASP A 39 0.182 6.260 2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.940 4.871 1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.683 5.619 0.279 1.00 0.00 H new ATOM 564 N SER A 40 0.001 8.566 1.834 1.00 0.00 N ATOM 565 CA SER A 40 -0.311 9.887 1.315 1.00 0.00 C ATOM 566 C SER A 40 0.832 10.855 1.627 1.00 0.00 C ATOM 567 O SER A 40 0.654 12.071 1.569 1.00 0.00 O ATOM 568 CB SER A 40 -1.625 10.411 1.898 1.00 0.00 C ATOM 569 OG SER A 40 -1.506 10.726 3.283 1.00 0.00 O ATOM 0 H SER A 40 0.320 8.553 2.803 1.00 0.00 H new ATOM 0 HA SER A 40 -0.429 9.811 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.936 11.300 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.406 9.663 1.762 1.00 0.00 H new ATOM 0 HG SER A 40 -2.365 11.059 3.618 1.00 0.00 H new ATOM 575 N ARG A 41 1.981 10.280 1.951 1.00 0.00 N ATOM 576 CA ARG A 41 3.153 11.076 2.271 1.00 0.00 C ATOM 577 C ARG A 41 3.517 11.983 1.094 1.00 0.00 C ATOM 578 O ARG A 41 3.728 13.182 1.271 1.00 0.00 O ATOM 579 CB ARG A 41 4.350 10.185 2.608 1.00 0.00 C ATOM 580 CG ARG A 41 5.206 10.810 3.711 1.00 0.00 C ATOM 581 CD ARG A 41 6.517 10.042 3.890 1.00 0.00 C ATOM 582 NE ARG A 41 7.625 10.772 3.235 1.00 0.00 N ATOM 583 CZ ARG A 41 8.199 11.874 3.738 1.00 0.00 C ATOM 584 NH1 ARG A 41 7.772 12.380 4.903 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.199 12.471 3.075 1.00 0.00 N ATOM 0 H ARG A 41 2.125 9.271 1.999 1.00 0.00 H new ATOM 0 HA ARG A 41 2.911 11.685 3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.999 9.204 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.956 10.032 1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.420 11.850 3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.651 10.813 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.732 9.915 4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.425 9.044 3.462 1.00 0.00 H new ATOM 0 HE ARG A 41 7.974 10.414 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.010 11.927 5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.209 13.219 5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.523 12.087 2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.636 13.310 3.458 1.00 0.00 H new ATOM 599 N ILE A 42 3.579 11.376 -0.082 1.00 0.00 N ATOM 600 CA ILE A 42 3.914 12.114 -1.288 1.00 0.00 C ATOM 601 C ILE A 42 3.128 11.538 -2.468 1.00 0.00 C ATOM 602 O ILE A 42 3.056 10.322 -2.636 1.00 0.00 O ATOM 603 CB ILE A 42 5.428 12.126 -1.506 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.095 10.951 -0.787 1.00 0.00 C ATOM 605 CG2 ILE A 42 6.031 13.469 -1.090 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.578 9.615 -1.324 1.00 0.00 C ATOM 0 H ILE A 42 3.403 10.382 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 42 3.621 13.159 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 42 5.621 12.003 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.176 11.006 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.900 11.017 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.108 13.451 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.586 14.267 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.829 13.647 -0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.068 8.797 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.501 9.553 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.796 9.542 -2.389 1.00 0.00 H new ATOM 618 N PRO A 43 2.543 12.463 -3.275 1.00 0.00 N ATOM 619 CA PRO A 43 1.765 12.060 -4.434 1.00 0.00 C ATOM 620 C PRO A 43 2.676 11.593 -5.571 1.00 0.00 C ATOM 621 O PRO A 43 2.348 10.647 -6.286 1.00 0.00 O ATOM 622 CB PRO A 43 0.940 13.283 -4.799 1.00 0.00 C ATOM 623 CG PRO A 43 1.624 14.463 -4.126 1.00 0.00 C ATOM 624 CD PRO A 43 2.608 13.912 -3.107 1.00 0.00 C ATOM 0 HA PRO A 43 1.119 11.206 -4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.900 13.419 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.088 13.178 -4.453 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.142 15.076 -4.864 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.889 15.104 -3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.616 14.287 -3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.335 14.206 -2.094 1.00 0.00 H new ATOM 632 N GLY A 44 3.804 12.276 -5.702 1.00 0.00 N ATOM 633 CA GLY A 44 4.765 11.943 -6.740 1.00 0.00 C ATOM 634 C GLY A 44 4.948 10.428 -6.851 1.00 0.00 C ATOM 635 O GLY A 44 5.272 9.915 -7.921 1.00 0.00 O ATOM 0 H GLY A 44 4.074 13.059 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.427 12.343 -7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.723 12.414 -6.518 1.00 0.00 H new ATOM 639 N VAL A 45 4.734 9.754 -5.730 1.00 0.00 N ATOM 640 CA VAL A 45 4.872 8.309 -5.688 1.00 0.00 C ATOM 641 C VAL A 45 3.482 7.669 -5.654 1.00 0.00 C ATOM 642 O VAL A 45 2.479 8.362 -5.490 1.00 0.00 O ATOM 643 CB VAL A 45 5.747 7.901 -4.502 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.724 9.019 -4.131 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.890 7.500 -3.299 1.00 0.00 C ATOM 0 H VAL A 45 4.466 10.183 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 45 5.375 7.947 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 45 6.331 7.031 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.334 8.703 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.369 9.236 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.166 9.915 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.538 7.215 -2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.267 8.343 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.254 6.657 -3.570 1.00 0.00 H new ATOM 655 N PRO A 46 3.467 6.318 -5.814 1.00 0.00 N ATOM 656 CA PRO A 46 2.217 5.577 -5.803 1.00 0.00 C ATOM 657 C PRO A 46 1.668 5.449 -4.380 1.00 0.00 C ATOM 658 O PRO A 46 2.004 4.507 -3.664 1.00 0.00 O ATOM 659 CB PRO A 46 2.550 4.235 -6.434 1.00 0.00 C ATOM 660 CG PRO A 46 4.061 4.099 -6.351 1.00 0.00 C ATOM 661 CD PRO A 46 4.635 5.464 -6.010 1.00 0.00 C ATOM 0 HA PRO A 46 1.426 6.079 -6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.055 3.421 -5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.211 4.195 -7.469 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.337 3.368 -5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.464 3.741 -7.298 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.250 5.422 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.269 5.839 -6.813 1.00 0.00 H new ATOM 669 N TRP A 47 0.834 6.411 -4.013 1.00 0.00 N ATOM 670 CA TRP A 47 0.236 6.418 -2.689 1.00 0.00 C ATOM 671 C TRP A 47 0.005 4.965 -2.267 1.00 0.00 C ATOM 672 O TRP A 47 0.433 4.552 -1.191 1.00 0.00 O ATOM 673 CB TRP A 47 -1.043 7.257 -2.669 1.00 0.00 C ATOM 674 CG TRP A 47 -0.811 8.738 -2.363 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.288 9.468 -2.601 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.749 9.646 -1.747 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.127 10.774 -2.186 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.151 10.886 -1.651 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.060 9.427 -1.288 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.788 12.003 -1.098 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.683 10.553 -0.738 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.094 11.808 -0.634 1.00 0.00 C ATOM 0 H TRP A 47 0.558 7.191 -4.610 1.00 0.00 H new ATOM 0 HA TRP A 47 0.903 6.889 -1.967 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.538 7.170 -3.636 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.724 6.845 -1.924 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.186 9.082 -3.060 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.819 11.520 -2.258 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.548 8.466 -1.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.298 12.963 -1.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.691 10.439 -0.369 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.642 12.629 -0.197 1.00 0.00 H new ATOM 693 N CYS A 48 -0.672 4.231 -3.137 1.00 0.00 N ATOM 694 CA CYS A 48 -0.966 2.833 -2.869 1.00 0.00 C ATOM 695 C CYS A 48 0.124 1.979 -3.521 1.00 0.00 C ATOM 696 O CYS A 48 0.189 1.878 -4.745 1.00 0.00 O ATOM 697 CB CYS A 48 -2.363 2.445 -3.357 1.00 0.00 C ATOM 698 SG CYS A 48 -3.073 0.962 -2.552 1.00 0.00 S ATOM 0 H CYS A 48 -1.026 4.578 -4.029 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.967 2.659 -1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.036 3.287 -3.194 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.322 2.273 -4.433 1.00 0.00 H new ATOM 703 N PHE A 49 0.953 1.387 -2.673 1.00 0.00 N ATOM 704 CA PHE A 49 2.036 0.546 -3.152 1.00 0.00 C ATOM 705 C PHE A 49 2.035 -0.808 -2.439 1.00 0.00 C ATOM 706 O PHE A 49 1.387 -0.969 -1.406 1.00 0.00 O ATOM 707 CB PHE A 49 3.343 1.275 -2.833 1.00 0.00 C ATOM 708 CG PHE A 49 3.413 1.835 -1.411 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.535 0.990 -0.352 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.352 3.178 -1.205 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.599 1.509 0.968 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.417 3.697 0.115 1.00 0.00 C ATOM 713 CZ PHE A 49 3.539 2.852 1.173 1.00 0.00 C ATOM 0 H PHE A 49 0.896 1.473 -1.658 1.00 0.00 H new ATOM 0 HA PHE A 49 1.921 0.364 -4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.176 0.588 -2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.473 2.093 -3.541 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.583 -0.076 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.254 3.849 -2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.695 0.838 1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.370 4.763 0.279 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.588 3.248 2.177 1.00 0.00 H new ATOM 723 N LYS A 50 2.768 -1.747 -3.018 1.00 0.00 N ATOM 724 CA LYS A 50 2.860 -3.082 -2.451 1.00 0.00 C ATOM 725 C LYS A 50 3.629 -3.018 -1.131 1.00 0.00 C ATOM 726 O LYS A 50 4.292 -2.023 -0.841 1.00 0.00 O ATOM 727 CB LYS A 50 3.460 -4.055 -3.467 1.00 0.00 C ATOM 728 CG LYS A 50 2.519 -4.257 -4.656 1.00 0.00 C ATOM 729 CD LYS A 50 2.465 -5.729 -5.069 1.00 0.00 C ATOM 730 CE LYS A 50 2.694 -5.886 -6.574 1.00 0.00 C ATOM 731 NZ LYS A 50 1.627 -6.714 -7.178 1.00 0.00 N ATOM 0 H LYS A 50 3.304 -1.610 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 50 1.867 -3.469 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.419 -3.674 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.655 -5.014 -2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.519 -3.912 -4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.856 -3.652 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.221 -6.292 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.497 -6.151 -4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.714 -4.905 -7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.665 -6.347 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.798 -6.810 -8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.627 -7.656 -6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.705 -6.259 -7.023 1.00 0.00 H new ATOM 745 N PRO A 51 3.513 -4.122 -0.344 1.00 0.00 N ATOM 746 CA PRO A 51 4.191 -4.201 0.939 1.00 0.00 C ATOM 747 C PRO A 51 5.689 -4.448 0.754 1.00 0.00 C ATOM 748 O PRO A 51 6.088 -5.451 0.164 1.00 0.00 O ATOM 749 CB PRO A 51 3.491 -5.326 1.684 1.00 0.00 C ATOM 750 CG PRO A 51 2.764 -6.139 0.625 1.00 0.00 C ATOM 751 CD PRO A 51 2.738 -5.319 -0.655 1.00 0.00 C ATOM 0 HA PRO A 51 4.133 -3.270 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.209 -5.942 2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.792 -4.931 2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.270 -7.090 0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.750 -6.371 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.177 -5.870 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.717 -5.066 -0.943 1.00 0.00 H new ATOM 759 N LEU A 52 6.478 -3.516 1.268 1.00 0.00 N ATOM 760 CA LEU A 52 7.924 -3.620 1.167 1.00 0.00 C ATOM 761 C LEU A 52 8.324 -5.097 1.144 1.00 0.00 C ATOM 762 O LEU A 52 8.400 -5.740 2.190 1.00 0.00 O ATOM 763 CB LEU A 52 8.598 -2.818 2.282 1.00 0.00 C ATOM 764 CG LEU A 52 10.084 -3.101 2.508 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.820 -1.841 2.968 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.279 -4.266 3.481 1.00 0.00 C ATOM 0 H LEU A 52 6.143 -2.685 1.756 1.00 0.00 H new ATOM 0 HA LEU A 52 8.273 -3.180 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.480 -1.757 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.066 -3.011 3.214 1.00 0.00 H new ATOM 0 HG LEU A 52 10.522 -3.400 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.874 -2.071 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.724 -1.066 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.386 -1.487 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.344 -4.446 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.821 -4.021 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.811 -5.162 3.074 1.00 0.00 H new ATOM 778 N GLN A 53 8.570 -5.591 -0.060 1.00 0.00 N ATOM 779 CA GLN A 53 8.961 -6.980 -0.234 1.00 0.00 C ATOM 780 C GLN A 53 10.367 -7.209 0.325 1.00 0.00 C ATOM 781 O GLN A 53 11.260 -7.653 -0.395 1.00 0.00 O ATOM 782 CB GLN A 53 8.882 -7.392 -1.705 1.00 0.00 C ATOM 783 CG GLN A 53 9.226 -6.218 -2.623 1.00 0.00 C ATOM 784 CD GLN A 53 10.451 -5.459 -2.108 1.00 0.00 C ATOM 785 OE1 GLN A 53 11.535 -6.000 -1.969 1.00 0.00 O ATOM 786 NE2 GLN A 53 10.217 -4.179 -1.832 1.00 0.00 N ATOM 0 H GLN A 53 8.506 -5.054 -0.925 1.00 0.00 H new ATOM 0 HA GLN A 53 8.263 -7.606 0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.568 -8.218 -1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.879 -7.754 -1.932 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.418 -6.585 -3.631 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.375 -5.540 -2.687 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.285 -3.789 -1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.970 -3.587 -1.481 1.00 0.00 H new ATOM 795 N GLU A 54 10.520 -6.896 1.603 1.00 0.00 N ATOM 796 CA GLU A 54 11.801 -7.063 2.267 1.00 0.00 C ATOM 797 C GLU A 54 11.607 -7.159 3.781 1.00 0.00 C ATOM 798 O GLU A 54 12.427 -6.659 4.549 1.00 0.00 O ATOM 799 CB GLU A 54 12.756 -5.922 1.908 1.00 0.00 C ATOM 800 CG GLU A 54 14.165 -6.453 1.632 1.00 0.00 C ATOM 801 CD GLU A 54 14.861 -5.622 0.552 1.00 0.00 C ATOM 802 OE1 GLU A 54 14.579 -5.885 -0.637 1.00 0.00 O ATOM 803 OE2 GLU A 54 15.660 -4.743 0.940 1.00 0.00 O ATOM 0 H GLU A 54 9.777 -6.527 2.197 1.00 0.00 H new ATOM 0 HA GLU A 54 12.250 -7.993 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.384 -5.394 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.789 -5.200 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.753 -6.429 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.110 -7.495 1.316 1.00 0.00 H new ATOM 810 N ALA A 55 10.516 -7.806 4.165 1.00 0.00 N ATOM 811 CA ALA A 55 10.203 -7.974 5.574 1.00 0.00 C ATOM 812 C ALA A 55 10.158 -9.467 5.907 1.00 0.00 C ATOM 813 O ALA A 55 9.087 -10.018 6.161 1.00 0.00 O ATOM 814 CB ALA A 55 8.885 -7.266 5.893 1.00 0.00 C ATOM 0 H ALA A 55 9.838 -8.220 3.525 1.00 0.00 H new ATOM 0 HA ALA A 55 10.975 -7.520 6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.651 -7.392 6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.978 -6.204 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.085 -7.697 5.290 1.00 0.00 H new ATOM 820 N GLU A 56 11.333 -10.079 5.895 1.00 0.00 N ATOM 821 CA GLU A 56 11.440 -11.498 6.193 1.00 0.00 C ATOM 822 C GLU A 56 12.877 -11.850 6.583 1.00 0.00 C ATOM 823 O GLU A 56 13.826 -11.245 6.086 1.00 0.00 O ATOM 824 CB GLU A 56 10.970 -12.344 5.008 1.00 0.00 C ATOM 825 CG GLU A 56 11.894 -12.159 3.802 1.00 0.00 C ATOM 826 CD GLU A 56 11.086 -11.928 2.523 1.00 0.00 C ATOM 827 OE1 GLU A 56 10.326 -12.851 2.158 1.00 0.00 O ATOM 828 OE2 GLU A 56 11.246 -10.835 1.940 1.00 0.00 O ATOM 0 H GLU A 56 12.219 -9.619 5.684 1.00 0.00 H new ATOM 0 HA GLU A 56 10.789 -11.723 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.946 -13.395 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.952 -12.064 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.558 -11.312 3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.525 -13.040 3.684 1.00 0.00 H new ATOM 835 N CYS A 57 12.992 -12.828 7.470 1.00 0.00 N ATOM 836 CA CYS A 57 14.298 -13.269 7.932 1.00 0.00 C ATOM 837 C CYS A 57 15.098 -12.036 8.357 1.00 0.00 C ATOM 838 O CYS A 57 15.784 -11.425 7.539 1.00 0.00 O ATOM 839 CB CYS A 57 15.030 -14.085 6.865 1.00 0.00 C ATOM 840 SG CYS A 57 16.834 -14.246 7.127 1.00 0.00 S ATOM 0 H CYS A 57 12.203 -13.327 7.881 1.00 0.00 H new ATOM 0 HA CYS A 57 14.179 -13.936 8.786 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.592 -15.082 6.826 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.858 -13.623 5.893 1.00 0.00 H new ATOM 0 HG CYS A 57 17.328 -13.092 7.467 1.00 0.00 H new ATOM 845 N THR A 58 14.984 -11.707 9.636 1.00 0.00 N ATOM 846 CA THR A 58 15.688 -10.558 10.179 1.00 0.00 C ATOM 847 C THR A 58 16.033 -10.791 11.651 1.00 0.00 C ATOM 848 O THR A 58 17.173 -10.587 12.065 1.00 0.00 O ATOM 849 CB THR A 58 14.821 -9.319 9.947 1.00 0.00 C ATOM 850 OG1 THR A 58 15.457 -8.302 10.716 1.00 0.00 O ATOM 851 CG2 THR A 58 13.433 -9.450 10.576 1.00 0.00 C ATOM 0 H THR A 58 14.414 -12.216 10.312 1.00 0.00 H new ATOM 0 HA THR A 58 16.642 -10.404 9.674 1.00 0.00 H new ATOM 0 HB THR A 58 14.718 -9.143 8.876 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.961 -7.462 10.622 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.859 -8.544 10.382 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.917 -10.307 10.143 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.533 -9.593 11.652 1.00 0.00 H new ATOM 859 N PHE A 59 15.027 -11.217 12.401 1.00 0.00 N ATOM 860 CA PHE A 59 15.210 -11.480 13.818 1.00 0.00 C ATOM 861 C PHE A 59 15.705 -12.909 14.051 1.00 0.00 C ATOM 862 O PHE A 59 15.575 -13.765 13.178 1.00 0.00 O ATOM 863 CB PHE A 59 13.843 -11.312 14.484 1.00 0.00 C ATOM 864 CG PHE A 59 13.546 -9.883 14.945 1.00 0.00 C ATOM 865 CD1 PHE A 59 14.211 -9.360 16.010 1.00 0.00 C ATOM 866 CD2 PHE A 59 12.618 -9.136 14.289 1.00 0.00 C ATOM 867 CE1 PHE A 59 13.936 -8.034 16.437 1.00 0.00 C ATOM 868 CE2 PHE A 59 12.343 -7.810 14.716 1.00 0.00 C ATOM 869 CZ PHE A 59 13.008 -7.287 15.781 1.00 0.00 C ATOM 0 H PHE A 59 14.083 -11.386 12.054 1.00 0.00 H new ATOM 0 HA PHE A 59 15.951 -10.795 14.231 1.00 0.00 H new ATOM 0 HB2 PHE A 59 13.068 -11.625 13.784 1.00 0.00 H new ATOM 0 HB3 PHE A 59 13.785 -11.980 15.344 1.00 0.00 H new ATOM 0 HD1 PHE A 59 14.948 -9.953 16.531 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.090 -9.551 13.443 1.00 0.00 H new ATOM 0 HE1 PHE A 59 14.464 -7.619 17.283 1.00 0.00 H new ATOM 0 HE2 PHE A 59 11.606 -7.217 14.195 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.799 -6.278 16.106 1.00 0.00 H new TER 879 PHE A 59