USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 523 hydrogens (12 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 49 HIS : no HD1:sc= -14.9! C(o=-15!,f=-20!) USER MOD Set 1.2: A1318 ATP O2' : rot -90:sc= -0.0832 USER MOD Set 1.3: A1318 ATP O3' : rot 129:sc= 0.196 USER MOD Set 2.1: A 30 MET CE :methyl -154:sc= -4.17 (180deg=-8.03!) USER MOD Set 2.2: A 38 SER OG : rot -48:sc= 0.593 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 58:sc= 0.755 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= 0.0564 (180deg=-0.792) USER MOD Single : A 22 ASN : amide:sc= -3.28! C(o=-3.3!,f=-6!) USER MOD Single : A 24 HIS : no HD1:sc= -14.2! C(o=-14!,f=-17!) USER MOD Single : A 28 TYR OH : rot -33:sc= 1.18 USER MOD Single : A 29 ASN : amide:sc= -4.26! C(o=-4.3!,f=-5.8!) USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= -1.33 (180deg=-3.1!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 36 ASN : amide:sc= -2.18! C(o=-2.2!,f=-2.7!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -148:sc= -0.366 (180deg=-2.01!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= -0.0272 K(o=-0.027,f=-2!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -104:sc= -1.3! USER MOD Single : A 59 LYS NZ :NH3+ -142:sc= -0.166 (180deg=-1.38) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.074 -11.248 -12.533 1.00 0.00 N ATOM 2 CA GLY A 1 14.695 -10.083 -11.841 1.00 0.00 C ATOM 3 C GLY A 1 13.678 -9.452 -10.896 1.00 0.00 C ATOM 4 O GLY A 1 13.125 -8.391 -11.183 1.00 0.00 O ATOM 0 H1 GLY A 1 14.767 -11.679 -13.178 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.774 -11.951 -11.828 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.247 -10.928 -13.077 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.575 -10.404 -11.284 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.032 -9.349 -12.573 1.00 0.00 H new ATOM 10 N SER A 2 13.439 -10.111 -9.766 1.00 0.00 N ATOM 11 CA SER A 2 12.487 -9.605 -8.785 1.00 0.00 C ATOM 12 C SER A 2 13.039 -8.361 -8.096 1.00 0.00 C ATOM 13 O SER A 2 12.707 -8.078 -6.945 1.00 0.00 O ATOM 14 CB SER A 2 12.192 -10.684 -7.742 1.00 0.00 C ATOM 15 OG SER A 2 12.638 -10.241 -6.466 1.00 0.00 O ATOM 0 H SER A 2 13.888 -10.990 -9.509 1.00 0.00 H new ATOM 0 HA SER A 2 11.565 -9.339 -9.302 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.123 -10.895 -7.713 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.693 -11.614 -8.012 1.00 0.00 H new ATOM 0 HG SER A 2 12.197 -9.395 -6.241 1.00 0.00 H new ATOM 21 N PHE A 3 13.881 -7.622 -8.808 1.00 0.00 N ATOM 22 CA PHE A 3 14.474 -6.409 -8.256 1.00 0.00 C ATOM 23 C PHE A 3 13.506 -5.235 -8.373 1.00 0.00 C ATOM 24 O PHE A 3 13.185 -4.582 -7.381 1.00 0.00 O ATOM 25 CB PHE A 3 15.770 -6.077 -8.997 1.00 0.00 C ATOM 26 CG PHE A 3 16.516 -5.000 -8.248 1.00 0.00 C ATOM 27 CD1 PHE A 3 17.426 -5.348 -7.242 1.00 0.00 C ATOM 28 CD2 PHE A 3 16.299 -3.653 -8.560 1.00 0.00 C ATOM 29 CE1 PHE A 3 18.119 -4.348 -6.549 1.00 0.00 C ATOM 30 CE2 PHE A 3 16.992 -2.653 -7.867 1.00 0.00 C ATOM 31 CZ PHE A 3 17.902 -3.001 -6.861 1.00 0.00 C ATOM 0 H PHE A 3 14.168 -7.839 -9.763 1.00 0.00 H new ATOM 0 HA PHE A 3 14.691 -6.583 -7.202 1.00 0.00 H new ATOM 0 HB2 PHE A 3 16.390 -6.969 -9.085 1.00 0.00 H new ATOM 0 HB3 PHE A 3 15.547 -5.742 -10.010 1.00 0.00 H new ATOM 0 HD1 PHE A 3 17.593 -6.387 -7.001 1.00 0.00 H new ATOM 0 HD2 PHE A 3 15.597 -3.385 -9.336 1.00 0.00 H new ATOM 0 HE1 PHE A 3 18.821 -4.616 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 3 16.825 -1.614 -8.108 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.436 -2.230 -6.326 1.00 0.00 H new ATOM 41 N ARG A 4 13.046 -4.972 -9.593 1.00 0.00 N ATOM 42 CA ARG A 4 12.117 -3.872 -9.829 1.00 0.00 C ATOM 43 C ARG A 4 10.787 -4.128 -9.129 1.00 0.00 C ATOM 44 O ARG A 4 9.906 -4.794 -9.674 1.00 0.00 O ATOM 45 CB ARG A 4 11.871 -3.708 -11.334 1.00 0.00 C ATOM 46 CG ARG A 4 12.979 -2.859 -11.969 1.00 0.00 C ATOM 47 CD ARG A 4 14.132 -3.765 -12.402 1.00 0.00 C ATOM 48 NE ARG A 4 13.640 -4.827 -13.272 1.00 0.00 N ATOM 49 CZ ARG A 4 13.466 -4.626 -14.574 1.00 0.00 C ATOM 50 NH1 ARG A 4 13.734 -3.460 -15.096 1.00 0.00 N ATOM 51 NH2 ARG A 4 13.028 -5.594 -15.332 1.00 0.00 N ATOM 0 H ARG A 4 13.299 -5.501 -10.427 1.00 0.00 H new ATOM 0 HA ARG A 4 12.560 -2.961 -9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.836 -4.687 -11.812 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.902 -3.237 -11.501 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.587 -2.315 -12.829 1.00 0.00 H new ATOM 0 HG3 ARG A 4 13.335 -2.115 -11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 4 14.888 -3.179 -12.924 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.613 -4.197 -11.525 1.00 0.00 H new ATOM 0 HE ARG A 4 13.425 -5.741 -12.874 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.077 -2.703 -14.505 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.600 -3.306 -16.095 1.00 0.00 H new ATOM 0 HH21 ARG A 4 12.819 -6.506 -14.925 1.00 0.00 H new ATOM 0 HH22 ARG A 4 12.895 -5.439 -16.331 1.00 0.00 H new ATOM 65 N VAL A 5 10.640 -3.588 -7.922 1.00 0.00 N ATOM 66 CA VAL A 5 9.404 -3.761 -7.168 1.00 0.00 C ATOM 67 C VAL A 5 8.292 -2.916 -7.784 1.00 0.00 C ATOM 68 O VAL A 5 8.560 -1.950 -8.498 1.00 0.00 O ATOM 69 CB VAL A 5 9.617 -3.352 -5.709 1.00 0.00 C ATOM 70 CG1 VAL A 5 10.139 -1.916 -5.651 1.00 0.00 C ATOM 71 CG2 VAL A 5 8.286 -3.442 -4.959 1.00 0.00 C ATOM 0 H VAL A 5 11.354 -3.033 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 5 9.115 -4.811 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 5 10.344 -4.019 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.290 -1.626 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.086 -1.851 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 5 9.414 -1.246 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.434 -3.151 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.561 -2.773 -5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.914 -4.466 -5.000 1.00 0.00 H new ATOM 81 N LYS A 6 7.046 -3.284 -7.509 1.00 0.00 N ATOM 82 CA LYS A 6 5.911 -2.546 -8.053 1.00 0.00 C ATOM 83 C LYS A 6 4.608 -2.985 -7.379 1.00 0.00 C ATOM 84 O LYS A 6 4.214 -4.145 -7.487 1.00 0.00 O ATOM 85 CB LYS A 6 5.807 -2.793 -9.560 1.00 0.00 C ATOM 86 CG LYS A 6 5.342 -1.513 -10.258 1.00 0.00 C ATOM 87 CD LYS A 6 5.013 -1.818 -11.721 1.00 0.00 C ATOM 88 CE LYS A 6 4.914 -0.509 -12.505 1.00 0.00 C ATOM 89 NZ LYS A 6 3.732 -0.560 -13.410 1.00 0.00 N ATOM 0 H LYS A 6 6.797 -4.079 -6.920 1.00 0.00 H new ATOM 0 HA LYS A 6 6.068 -1.484 -7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.774 -3.104 -9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.105 -3.603 -9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.464 -1.110 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.120 -0.752 -10.201 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.784 -2.456 -12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.073 -2.366 -11.787 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.823 0.333 -11.818 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.823 -0.351 -13.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.664 0.330 -13.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.837 -1.354 -14.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.868 -0.692 -12.846 1.00 0.00 H new ATOM 103 N PRO A 7 3.935 -2.090 -6.695 1.00 0.00 N ATOM 104 CA PRO A 7 2.652 -2.415 -6.005 1.00 0.00 C ATOM 105 C PRO A 7 1.689 -3.177 -6.912 1.00 0.00 C ATOM 106 O PRO A 7 2.089 -3.727 -7.938 1.00 0.00 O ATOM 107 CB PRO A 7 2.075 -1.045 -5.638 1.00 0.00 C ATOM 108 CG PRO A 7 3.246 -0.122 -5.563 1.00 0.00 C ATOM 109 CD PRO A 7 4.319 -0.682 -6.499 1.00 0.00 C ATOM 0 HA PRO A 7 2.808 -3.063 -5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.358 -0.708 -6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.546 -1.085 -4.686 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.962 0.887 -5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.621 -0.057 -4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.343 -0.141 -7.445 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.313 -0.599 -6.059 1.00 0.00 H new ATOM 117 N CYS A 8 0.418 -3.205 -6.526 1.00 0.00 N ATOM 118 CA CYS A 8 -0.591 -3.900 -7.310 1.00 0.00 C ATOM 119 C CYS A 8 -0.554 -3.432 -8.764 1.00 0.00 C ATOM 120 O CYS A 8 -0.115 -4.159 -9.651 1.00 0.00 O ATOM 121 CB CYS A 8 -1.980 -3.639 -6.704 1.00 0.00 C ATOM 122 SG CYS A 8 -3.165 -3.225 -8.007 1.00 0.00 S ATOM 0 H CYS A 8 0.066 -2.757 -5.680 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.383 -4.970 -7.289 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.319 -4.521 -6.161 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.922 -2.824 -5.983 1.00 0.00 H new ATOM 127 N VAL A 9 -1.054 -2.221 -8.970 1.00 0.00 N ATOM 128 CA VAL A 9 -1.147 -1.587 -10.284 1.00 0.00 C ATOM 129 C VAL A 9 -2.547 -1.025 -10.402 1.00 0.00 C ATOM 130 O VAL A 9 -3.082 -0.825 -11.492 1.00 0.00 O ATOM 131 CB VAL A 9 -0.855 -2.571 -11.433 1.00 0.00 C ATOM 132 CG1 VAL A 9 -1.319 -1.969 -12.761 1.00 0.00 C ATOM 133 CG2 VAL A 9 0.651 -2.836 -11.510 1.00 0.00 C ATOM 0 H VAL A 9 -1.414 -1.638 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.395 -0.803 -10.368 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.388 -3.503 -11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.110 -2.669 -13.570 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.390 -1.774 -12.717 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.787 -1.035 -12.943 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.857 -3.532 -12.323 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.176 -1.899 -11.693 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.993 -3.266 -10.569 1.00 0.00 H new ATOM 143 N VAL A 10 -3.133 -0.779 -9.234 1.00 0.00 N ATOM 144 CA VAL A 10 -4.473 -0.250 -9.157 1.00 0.00 C ATOM 145 C VAL A 10 -5.476 -1.337 -9.475 1.00 0.00 C ATOM 146 O VAL A 10 -6.661 -1.218 -9.164 1.00 0.00 O ATOM 147 CB VAL A 10 -4.638 0.880 -10.159 1.00 0.00 C ATOM 148 CG1 VAL A 10 -5.780 1.798 -9.725 1.00 0.00 C ATOM 149 CG2 VAL A 10 -3.338 1.682 -10.237 1.00 0.00 C ATOM 0 H VAL A 10 -2.691 -0.941 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.645 0.123 -8.147 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.870 0.462 -11.138 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.892 2.606 -10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.707 1.226 -9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.557 2.218 -8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.454 2.494 -10.955 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.107 2.096 -9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.526 1.028 -10.556 1.00 0.00 H new ATOM 159 N CYS A 11 -5.003 -2.374 -10.153 1.00 0.00 N ATOM 160 CA CYS A 11 -5.888 -3.443 -10.567 1.00 0.00 C ATOM 161 C CYS A 11 -7.035 -2.791 -11.295 1.00 0.00 C ATOM 162 O CYS A 11 -8.039 -3.425 -11.626 1.00 0.00 O ATOM 163 CB CYS A 11 -6.427 -4.213 -9.364 1.00 0.00 C ATOM 164 SG CYS A 11 -5.452 -5.709 -9.080 1.00 0.00 S ATOM 0 H CYS A 11 -4.027 -2.493 -10.422 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.352 -4.153 -11.197 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.399 -3.580 -8.477 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.471 -4.479 -9.533 1.00 0.00 H new ATOM 169 N LYS A 12 -6.873 -1.491 -11.516 1.00 0.00 N ATOM 170 CA LYS A 12 -7.894 -0.712 -12.178 1.00 0.00 C ATOM 171 C LYS A 12 -9.214 -1.008 -11.513 1.00 0.00 C ATOM 172 O LYS A 12 -10.287 -0.650 -11.998 1.00 0.00 O ATOM 173 CB LYS A 12 -7.918 -1.068 -13.653 1.00 0.00 C ATOM 174 CG LYS A 12 -6.483 -1.410 -14.066 1.00 0.00 C ATOM 175 CD LYS A 12 -6.235 -2.921 -13.969 1.00 0.00 C ATOM 176 CE LYS A 12 -5.834 -3.460 -15.344 1.00 0.00 C ATOM 177 NZ LYS A 12 -5.322 -4.853 -15.205 1.00 0.00 N ATOM 0 H LYS A 12 -6.044 -0.962 -11.244 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.691 0.356 -12.098 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.581 -1.914 -13.833 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.299 -0.234 -14.243 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.303 -1.072 -15.086 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.779 -0.879 -13.425 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.449 -3.126 -13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.134 -3.426 -13.616 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.691 -3.442 -16.017 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.068 -2.823 -15.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.050 -5.218 -16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.493 -4.857 -14.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.065 -5.457 -14.801 1.00 0.00 H new ATOM 191 N VAL A 13 -9.095 -1.664 -10.370 1.00 0.00 N ATOM 192 CA VAL A 13 -10.250 -2.028 -9.571 1.00 0.00 C ATOM 193 C VAL A 13 -10.180 -1.320 -8.229 1.00 0.00 C ATOM 194 O VAL A 13 -11.089 -1.430 -7.407 1.00 0.00 O ATOM 195 CB VAL A 13 -10.263 -3.537 -9.333 1.00 0.00 C ATOM 196 CG1 VAL A 13 -9.368 -3.861 -8.134 1.00 0.00 C ATOM 197 CG2 VAL A 13 -11.691 -3.996 -9.039 1.00 0.00 C ATOM 0 H VAL A 13 -8.202 -1.956 -9.974 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.156 -1.734 -10.102 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.894 -4.052 -10.220 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.372 -4.937 -7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.350 -3.531 -8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.744 -3.347 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.699 -5.073 -8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.061 -3.486 -8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.332 -3.757 -9.888 1.00 0.00 H new ATOM 207 N ALA A 14 -9.076 -0.615 -8.001 1.00 0.00 N ATOM 208 CA ALA A 14 -8.893 0.076 -6.735 1.00 0.00 C ATOM 209 C ALA A 14 -7.586 0.868 -6.714 1.00 0.00 C ATOM 210 O ALA A 14 -6.637 0.519 -7.407 1.00 0.00 O ATOM 211 CB ALA A 14 -8.852 -0.964 -5.624 1.00 0.00 C ATOM 0 H ALA A 14 -8.309 -0.509 -8.665 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.718 0.775 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.715 -0.466 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.788 -1.522 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.023 -1.650 -5.798 1.00 0.00 H new ATOM 217 N PRO A 15 -7.511 1.907 -5.918 1.00 0.00 N ATOM 218 CA PRO A 15 -6.280 2.733 -5.788 1.00 0.00 C ATOM 219 C PRO A 15 -5.327 2.172 -4.731 1.00 0.00 C ATOM 220 O PRO A 15 -4.943 2.878 -3.797 1.00 0.00 O ATOM 221 CB PRO A 15 -6.833 4.084 -5.349 1.00 0.00 C ATOM 222 CG PRO A 15 -8.033 3.753 -4.522 1.00 0.00 C ATOM 223 CD PRO A 15 -8.591 2.427 -5.057 1.00 0.00 C ATOM 0 HA PRO A 15 -5.695 2.770 -6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.097 4.644 -4.772 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.101 4.700 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.764 3.662 -3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.781 4.543 -4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.823 1.736 -4.247 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.512 2.580 -5.620 1.00 0.00 H new ATOM 231 N ARG A 16 -4.961 0.899 -4.869 1.00 0.00 N ATOM 232 CA ARG A 16 -4.070 0.262 -3.906 1.00 0.00 C ATOM 233 C ARG A 16 -4.311 0.848 -2.521 1.00 0.00 C ATOM 234 O ARG A 16 -3.702 1.849 -2.144 1.00 0.00 O ATOM 235 CB ARG A 16 -2.604 0.451 -4.316 1.00 0.00 C ATOM 236 CG ARG A 16 -2.524 0.874 -5.786 1.00 0.00 C ATOM 237 CD ARG A 16 -2.608 2.398 -5.888 1.00 0.00 C ATOM 238 NE ARG A 16 -1.291 2.955 -6.175 1.00 0.00 N ATOM 239 CZ ARG A 16 -1.123 4.260 -6.361 1.00 0.00 C ATOM 240 NH1 ARG A 16 -2.145 5.068 -6.277 1.00 0.00 N ATOM 241 NH2 ARG A 16 0.063 4.734 -6.624 1.00 0.00 N ATOM 0 H ARG A 16 -5.265 0.294 -5.632 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.281 -0.807 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.135 1.206 -3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.053 -0.477 -4.165 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.591 0.521 -6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.336 0.417 -6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.309 2.679 -6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.991 2.812 -4.955 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.485 2.332 -6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.072 4.698 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.016 6.070 -6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.862 4.103 -6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.192 5.736 -6.767 1.00 0.00 H new ATOM 255 N ASP A 17 -5.223 0.217 -1.782 1.00 0.00 N ATOM 256 CA ASP A 17 -5.581 0.668 -0.437 1.00 0.00 C ATOM 257 C ASP A 17 -4.533 1.625 0.116 1.00 0.00 C ATOM 258 O ASP A 17 -3.331 1.383 -0.005 1.00 0.00 O ATOM 259 CB ASP A 17 -5.732 -0.536 0.495 1.00 0.00 C ATOM 260 CG ASP A 17 -5.489 -0.111 1.939 1.00 0.00 C ATOM 261 OD1 ASP A 17 -6.263 0.687 2.439 1.00 0.00 O ATOM 262 OD2 ASP A 17 -4.530 -0.590 2.524 1.00 0.00 O ATOM 0 H ASP A 17 -5.729 -0.612 -2.094 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.531 1.200 -0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.731 -0.960 0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.025 -1.316 0.213 1.00 0.00 H new ATOM 267 N TRP A 18 -4.995 2.717 0.715 1.00 0.00 N ATOM 268 CA TRP A 18 -4.083 3.704 1.270 1.00 0.00 C ATOM 269 C TRP A 18 -4.587 4.237 2.602 1.00 0.00 C ATOM 270 O TRP A 18 -5.769 4.121 2.931 1.00 0.00 O ATOM 271 CB TRP A 18 -3.904 4.863 0.288 1.00 0.00 C ATOM 272 CG TRP A 18 -5.241 5.431 -0.065 1.00 0.00 C ATOM 273 CD1 TRP A 18 -5.894 5.214 -1.231 1.00 0.00 C ATOM 274 CD2 TRP A 18 -6.097 6.304 0.727 1.00 0.00 C ATOM 275 NE1 TRP A 18 -7.096 5.900 -1.204 1.00 0.00 N ATOM 276 CE2 TRP A 18 -7.266 6.586 -0.018 1.00 0.00 C ATOM 277 CE3 TRP A 18 -5.973 6.873 2.007 1.00 0.00 C ATOM 278 CZ2 TRP A 18 -8.276 7.404 0.487 1.00 0.00 C ATOM 279 CZ3 TRP A 18 -6.990 7.697 2.520 1.00 0.00 C ATOM 280 CH2 TRP A 18 -8.139 7.962 1.761 1.00 0.00 C ATOM 0 H TRP A 18 -5.985 2.938 0.827 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.124 3.215 1.438 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.275 5.635 0.731 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.396 4.516 -0.612 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.536 4.605 -2.048 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -7.773 5.899 -1.967 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.092 6.676 2.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.158 7.605 -0.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.886 8.129 3.505 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.917 8.596 2.160 1.00 0.00 H new ATOM 291 N ARG A 19 -3.668 4.809 3.366 1.00 0.00 N ATOM 292 CA ARG A 19 -3.992 5.354 4.671 1.00 0.00 C ATOM 293 C ARG A 19 -3.234 6.657 4.899 1.00 0.00 C ATOM 294 O ARG A 19 -2.247 6.934 4.217 1.00 0.00 O ATOM 295 CB ARG A 19 -3.620 4.335 5.748 1.00 0.00 C ATOM 296 CG ARG A 19 -4.127 4.811 7.111 1.00 0.00 C ATOM 297 CD ARG A 19 -4.907 3.682 7.789 1.00 0.00 C ATOM 298 NE ARG A 19 -4.291 2.393 7.495 1.00 0.00 N ATOM 299 CZ ARG A 19 -3.418 1.839 8.331 1.00 0.00 C ATOM 300 NH1 ARG A 19 -3.107 2.439 9.446 1.00 0.00 N ATOM 301 NH2 ARG A 19 -2.873 0.691 8.035 1.00 0.00 N ATOM 0 H ARG A 19 -2.688 4.907 3.101 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.061 5.562 4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.053 3.364 5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.538 4.203 5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.288 5.115 7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.766 5.686 6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.931 3.844 8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.941 3.686 7.443 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.535 1.907 6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.534 3.336 9.679 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.437 2.012 10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.117 0.220 7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.203 0.264 8.675 1.00 0.00 H new ATOM 315 N VAL A 20 -3.694 7.454 5.856 1.00 0.00 N ATOM 316 CA VAL A 20 -3.038 8.722 6.149 1.00 0.00 C ATOM 317 C VAL A 20 -2.291 8.628 7.468 1.00 0.00 C ATOM 318 O VAL A 20 -2.837 8.178 8.476 1.00 0.00 O ATOM 319 CB VAL A 20 -4.069 9.846 6.223 1.00 0.00 C ATOM 320 CG1 VAL A 20 -5.232 9.419 7.120 1.00 0.00 C ATOM 321 CG2 VAL A 20 -3.414 11.103 6.801 1.00 0.00 C ATOM 0 H VAL A 20 -4.508 7.249 6.436 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.330 8.941 5.349 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.444 10.058 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.966 10.223 7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.700 8.525 6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.859 9.204 8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.150 11.905 6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.037 10.890 7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.588 11.410 6.160 1.00 0.00 H new ATOM 331 N LYS A 21 -1.031 9.037 7.447 1.00 0.00 N ATOM 332 CA LYS A 21 -0.210 8.974 8.643 1.00 0.00 C ATOM 333 C LYS A 21 0.617 10.246 8.806 1.00 0.00 C ATOM 334 O LYS A 21 1.742 10.334 8.313 1.00 0.00 O ATOM 335 CB LYS A 21 0.718 7.759 8.548 1.00 0.00 C ATOM 336 CG LYS A 21 1.116 7.274 9.950 1.00 0.00 C ATOM 337 CD LYS A 21 1.279 5.751 9.933 1.00 0.00 C ATOM 338 CE LYS A 21 -0.095 5.085 10.052 1.00 0.00 C ATOM 339 NZ LYS A 21 0.071 3.603 10.103 1.00 0.00 N ATOM 0 H LYS A 21 -0.560 9.412 6.623 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.860 8.880 9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.219 6.955 8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.611 8.020 7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.048 7.747 10.260 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.356 7.562 10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.767 5.438 9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.920 5.435 10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.604 5.435 10.950 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.720 5.362 9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.709 3.185 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.062 3.219 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.976 3.371 10.559 1.00 0.00 H new ATOM 353 N ASN A 22 0.054 11.226 9.502 1.00 0.00 N ATOM 354 CA ASN A 22 0.748 12.489 9.729 1.00 0.00 C ATOM 355 C ASN A 22 0.922 13.253 8.420 1.00 0.00 C ATOM 356 O ASN A 22 -0.035 13.444 7.669 1.00 0.00 O ATOM 357 CB ASN A 22 2.118 12.226 10.358 1.00 0.00 C ATOM 358 CG ASN A 22 2.683 13.520 10.935 1.00 0.00 C ATOM 359 OD1 ASN A 22 1.987 14.535 10.979 1.00 0.00 O ATOM 360 ND2 ASN A 22 3.908 13.546 11.383 1.00 0.00 N ATOM 0 H ASN A 22 -0.876 11.172 9.917 1.00 0.00 H new ATOM 0 HA ASN A 22 0.147 13.094 10.408 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.029 11.476 11.144 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.800 11.823 9.609 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.291 14.408 11.771 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.483 12.704 11.346 1.00 0.00 H new ATOM 367 N ARG A 23 2.148 13.698 8.157 1.00 0.00 N ATOM 368 CA ARG A 23 2.434 14.451 6.939 1.00 0.00 C ATOM 369 C ARG A 23 2.773 13.513 5.782 1.00 0.00 C ATOM 370 O ARG A 23 2.995 13.960 4.656 1.00 0.00 O ATOM 371 CB ARG A 23 3.601 15.409 7.184 1.00 0.00 C ATOM 372 CG ARG A 23 3.495 15.988 8.596 1.00 0.00 C ATOM 373 CD ARG A 23 4.539 17.092 8.777 1.00 0.00 C ATOM 374 NE ARG A 23 5.875 16.512 8.857 1.00 0.00 N ATOM 375 CZ ARG A 23 6.957 17.246 8.625 1.00 0.00 C ATOM 376 NH1 ARG A 23 6.835 18.513 8.339 1.00 0.00 N ATOM 377 NH2 ARG A 23 8.140 16.701 8.689 1.00 0.00 N ATOM 0 H ARG A 23 2.954 13.552 8.765 1.00 0.00 H new ATOM 0 HA ARG A 23 1.543 15.019 6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.548 14.884 7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.587 16.212 6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.495 16.388 8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.650 15.202 9.335 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.488 17.792 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.326 17.659 9.683 1.00 0.00 H new ATOM 0 HE ARG A 23 5.980 15.526 9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.909 18.939 8.294 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.665 19.078 8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.234 15.711 8.917 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.971 17.264 8.511 1.00 0.00 H new ATOM 391 N HIS A 24 2.811 12.215 6.063 1.00 0.00 N ATOM 392 CA HIS A 24 3.123 11.230 5.035 1.00 0.00 C ATOM 393 C HIS A 24 1.888 10.424 4.666 1.00 0.00 C ATOM 394 O HIS A 24 0.927 10.347 5.430 1.00 0.00 O ATOM 395 CB HIS A 24 4.201 10.261 5.532 1.00 0.00 C ATOM 396 CG HIS A 24 5.243 11.020 6.305 1.00 0.00 C ATOM 397 ND1 HIS A 24 5.760 12.228 5.862 1.00 0.00 N ATOM 398 CD2 HIS A 24 5.869 10.761 7.500 1.00 0.00 C ATOM 399 CE1 HIS A 24 6.654 12.646 6.776 1.00 0.00 C ATOM 400 NE2 HIS A 24 6.759 11.789 7.794 1.00 0.00 N ATOM 0 H HIS A 24 2.631 11.823 6.987 1.00 0.00 H new ATOM 0 HA HIS A 24 3.482 11.771 4.160 1.00 0.00 H new ATOM 0 HB2 HIS A 24 3.752 9.494 6.163 1.00 0.00 H new ATOM 0 HB3 HIS A 24 4.662 9.749 4.687 1.00 0.00 H new ATOM 0 HD2 HIS A 24 5.697 9.892 8.117 1.00 0.00 H new ATOM 0 HE1 HIS A 24 7.218 13.563 6.696 1.00 0.00 H new ATOM 0 HE2 HIS A 24 7.363 11.870 8.612 1.00 0.00 H new ATOM 409 N LEU A 25 1.943 9.800 3.500 1.00 0.00 N ATOM 410 CA LEU A 25 0.850 8.964 3.034 1.00 0.00 C ATOM 411 C LEU A 25 1.294 7.518 3.115 1.00 0.00 C ATOM 412 O LEU A 25 2.486 7.244 3.204 1.00 0.00 O ATOM 413 CB LEU A 25 0.483 9.304 1.587 1.00 0.00 C ATOM 414 CG LEU A 25 -0.643 10.341 1.570 1.00 0.00 C ATOM 415 CD1 LEU A 25 -0.109 11.684 2.069 1.00 0.00 C ATOM 416 CD2 LEU A 25 -1.167 10.503 0.140 1.00 0.00 C ATOM 0 H LEU A 25 2.734 9.857 2.859 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.028 9.135 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.356 9.692 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.169 8.403 1.060 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.452 10.007 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.911 12.422 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.265 11.571 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.701 12.017 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.969 11.241 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.357 10.836 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.549 9.547 -0.218 1.00 0.00 H new ATOM 428 N ARG A 26 0.351 6.598 3.104 1.00 0.00 N ATOM 429 CA ARG A 26 0.706 5.192 3.191 1.00 0.00 C ATOM 430 C ARG A 26 -0.139 4.369 2.231 1.00 0.00 C ATOM 431 O ARG A 26 -1.367 4.373 2.309 1.00 0.00 O ATOM 432 CB ARG A 26 0.504 4.696 4.621 1.00 0.00 C ATOM 433 CG ARG A 26 1.353 3.446 4.861 1.00 0.00 C ATOM 434 CD ARG A 26 0.454 2.313 5.351 1.00 0.00 C ATOM 435 NE ARG A 26 1.257 1.152 5.713 1.00 0.00 N ATOM 436 CZ ARG A 26 1.862 1.079 6.894 1.00 0.00 C ATOM 437 NH1 ARG A 26 1.742 2.055 7.753 1.00 0.00 N ATOM 438 NH2 ARG A 26 2.577 0.031 7.194 1.00 0.00 N ATOM 0 H ARG A 26 -0.649 6.790 3.037 1.00 0.00 H new ATOM 0 HA ARG A 26 1.754 5.077 2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.782 5.477 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.549 4.470 4.792 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.858 3.153 3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.129 3.655 5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.126 2.646 6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.259 2.042 4.572 1.00 0.00 H new ATOM 0 HE ARG A 26 1.356 0.384 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.183 2.875 7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.207 1.997 8.659 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.671 -0.731 6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.042 -0.027 8.100 1.00 0.00 H new ATOM 452 N ILE A 27 0.382 3.623 1.344 1.00 0.00 N ATOM 453 CA ILE A 27 -0.325 2.797 0.376 1.00 0.00 C ATOM 454 C ILE A 27 -0.112 1.320 0.691 1.00 0.00 C ATOM 455 O ILE A 27 0.838 0.951 1.375 1.00 0.00 O ATOM 456 CB ILE A 27 0.158 3.117 -1.055 1.00 0.00 C ATOM 457 CG1 ILE A 27 -1.016 3.638 -1.896 1.00 0.00 C ATOM 458 CG2 ILE A 27 0.728 1.864 -1.733 1.00 0.00 C ATOM 459 CD1 ILE A 27 -1.214 5.131 -1.627 1.00 0.00 C ATOM 0 H ILE A 27 1.394 3.547 1.243 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.391 3.017 0.439 1.00 0.00 H new ATOM 0 HB ILE A 27 0.939 3.874 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.820 3.471 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.925 3.090 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.062 2.115 -2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.572 1.489 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.044 1.097 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.048 5.501 -2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.429 5.285 -0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.307 5.673 -1.895 1.00 0.00 H new ATOM 471 N TYR A 28 -0.848 0.525 0.150 1.00 0.00 N ATOM 472 CA TYR A 28 -0.747 -0.914 0.355 1.00 0.00 C ATOM 473 C TYR A 28 -0.351 -1.577 -0.961 1.00 0.00 C ATOM 474 O TYR A 28 -1.041 -1.430 -1.969 1.00 0.00 O ATOM 475 CB TYR A 28 -2.089 -1.471 0.838 1.00 0.00 C ATOM 476 CG TYR A 28 -2.150 -1.490 2.354 1.00 0.00 C ATOM 477 CD1 TYR A 28 -1.396 -0.584 3.117 1.00 0.00 C ATOM 478 CD2 TYR A 28 -2.969 -2.427 2.998 1.00 0.00 C ATOM 479 CE1 TYR A 28 -1.466 -0.624 4.517 1.00 0.00 C ATOM 480 CE2 TYR A 28 -3.037 -2.461 4.395 1.00 0.00 C ATOM 481 CZ TYR A 28 -2.284 -1.559 5.154 1.00 0.00 C ATOM 482 OH TYR A 28 -2.349 -1.594 6.533 1.00 0.00 O ATOM 0 H TYR A 28 -1.594 0.798 -0.490 1.00 0.00 H new ATOM 0 HA TYR A 28 0.009 -1.123 1.112 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.903 -0.863 0.444 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.229 -2.480 0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.764 0.142 2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.550 -3.125 2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.885 0.071 5.105 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.671 -3.184 4.887 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.479 -1.343 6.908 1.00 0.00 H new ATOM 492 N ASN A 29 0.776 -2.280 -0.953 1.00 0.00 N ATOM 493 CA ASN A 29 1.266 -2.928 -2.167 1.00 0.00 C ATOM 494 C ASN A 29 0.123 -3.522 -2.981 1.00 0.00 C ATOM 495 O ASN A 29 0.301 -3.849 -4.154 1.00 0.00 O ATOM 496 CB ASN A 29 2.269 -4.029 -1.818 1.00 0.00 C ATOM 497 CG ASN A 29 3.646 -3.423 -1.577 1.00 0.00 C ATOM 498 OD1 ASN A 29 3.774 -2.207 -1.430 1.00 0.00 O ATOM 499 ND2 ASN A 29 4.691 -4.203 -1.528 1.00 0.00 N ATOM 0 H ASN A 29 1.363 -2.416 -0.130 1.00 0.00 H new ATOM 0 HA ASN A 29 1.759 -2.165 -2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.938 -4.565 -0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.320 -4.756 -2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.617 -3.806 -1.368 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.582 -5.210 -1.650 1.00 0.00 H new ATOM 506 N MET A 30 -1.051 -3.662 -2.368 1.00 0.00 N ATOM 507 CA MET A 30 -2.190 -4.225 -3.084 1.00 0.00 C ATOM 508 C MET A 30 -3.511 -3.758 -2.488 1.00 0.00 C ATOM 509 O MET A 30 -3.632 -3.565 -1.281 1.00 0.00 O ATOM 510 CB MET A 30 -2.133 -5.756 -3.056 1.00 0.00 C ATOM 511 CG MET A 30 -0.718 -6.222 -2.703 1.00 0.00 C ATOM 512 SD MET A 30 -0.687 -8.028 -2.598 1.00 0.00 S ATOM 513 CE MET A 30 0.212 -8.146 -1.033 1.00 0.00 C ATOM 0 H MET A 30 -1.235 -3.400 -1.400 1.00 0.00 H new ATOM 0 HA MET A 30 -2.133 -3.874 -4.115 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.844 -6.141 -2.325 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.425 -6.157 -4.027 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.011 -5.879 -3.459 1.00 0.00 H new ATOM 0 HG3 MET A 30 -0.406 -5.786 -1.754 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.742 -9.097 -0.989 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.929 -7.328 -0.963 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.492 -8.084 -0.203 1.00 0.00 H new ATOM 523 N CYS A 31 -4.504 -3.588 -3.353 1.00 0.00 N ATOM 524 CA CYS A 31 -5.826 -3.158 -2.917 1.00 0.00 C ATOM 525 C CYS A 31 -6.475 -4.229 -2.050 1.00 0.00 C ATOM 526 O CYS A 31 -6.035 -5.375 -2.034 1.00 0.00 O ATOM 527 CB CYS A 31 -6.718 -2.901 -4.130 1.00 0.00 C ATOM 528 SG CYS A 31 -5.765 -2.096 -5.438 1.00 0.00 S ATOM 0 H CYS A 31 -4.419 -3.741 -4.358 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.713 -2.241 -2.338 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.130 -3.842 -4.495 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.562 -2.273 -3.845 1.00 0.00 H new ATOM 533 N LYS A 32 -7.537 -3.849 -1.345 1.00 0.00 N ATOM 534 CA LYS A 32 -8.253 -4.791 -0.491 1.00 0.00 C ATOM 535 C LYS A 32 -8.691 -6.005 -1.298 1.00 0.00 C ATOM 536 O LYS A 32 -8.652 -7.136 -0.815 1.00 0.00 O ATOM 537 CB LYS A 32 -9.487 -4.120 0.111 1.00 0.00 C ATOM 538 CG LYS A 32 -9.620 -4.517 1.582 1.00 0.00 C ATOM 539 CD LYS A 32 -10.976 -4.049 2.119 1.00 0.00 C ATOM 540 CE LYS A 32 -12.034 -5.127 1.867 1.00 0.00 C ATOM 541 NZ LYS A 32 -12.440 -5.102 0.434 1.00 0.00 N ATOM 0 H LYS A 32 -7.918 -2.903 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.583 -5.109 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.404 -3.037 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.380 -4.418 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.529 -5.598 1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.813 -4.071 2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.903 -3.841 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.269 -3.119 1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.637 -6.108 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.901 -4.956 2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.423 -5.429 0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.364 -4.131 0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.816 -5.728 -0.114 1.00 0.00 H new ATOM 555 N THR A 33 -9.112 -5.756 -2.531 1.00 0.00 N ATOM 556 CA THR A 33 -9.564 -6.826 -3.408 1.00 0.00 C ATOM 557 C THR A 33 -8.412 -7.770 -3.738 1.00 0.00 C ATOM 558 O THR A 33 -8.402 -8.925 -3.314 1.00 0.00 O ATOM 559 CB THR A 33 -10.132 -6.235 -4.700 1.00 0.00 C ATOM 560 OG1 THR A 33 -10.656 -4.940 -4.438 1.00 0.00 O ATOM 561 CG2 THR A 33 -11.245 -7.140 -5.228 1.00 0.00 C ATOM 0 H THR A 33 -9.150 -4.825 -2.945 1.00 0.00 H new ATOM 0 HA THR A 33 -10.343 -7.390 -2.894 1.00 0.00 H new ATOM 0 HB THR A 33 -9.340 -6.162 -5.446 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.018 -4.560 -5.266 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.650 -6.719 -6.148 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.842 -8.133 -5.429 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.038 -7.214 -4.483 1.00 0.00 H new ATOM 569 N CYS A 34 -7.443 -7.267 -4.495 1.00 0.00 N ATOM 570 CA CYS A 34 -6.289 -8.073 -4.873 1.00 0.00 C ATOM 571 C CYS A 34 -5.491 -8.482 -3.641 1.00 0.00 C ATOM 572 O CYS A 34 -4.833 -9.523 -3.635 1.00 0.00 O ATOM 573 CB CYS A 34 -5.391 -7.295 -5.832 1.00 0.00 C ATOM 574 SG CYS A 34 -5.103 -5.632 -5.179 1.00 0.00 S ATOM 0 H CYS A 34 -7.433 -6.313 -4.856 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.651 -8.972 -5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.442 -7.816 -5.961 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.858 -7.235 -6.815 1.00 0.00 H new ATOM 579 N PHE A 35 -5.556 -7.663 -2.596 1.00 0.00 N ATOM 580 CA PHE A 35 -4.836 -7.965 -1.365 1.00 0.00 C ATOM 581 C PHE A 35 -5.281 -9.318 -0.850 1.00 0.00 C ATOM 582 O PHE A 35 -4.463 -10.172 -0.517 1.00 0.00 O ATOM 583 CB PHE A 35 -5.114 -6.901 -0.303 1.00 0.00 C ATOM 584 CG PHE A 35 -4.692 -7.420 1.050 1.00 0.00 C ATOM 585 CD1 PHE A 35 -3.353 -7.755 1.286 1.00 0.00 C ATOM 586 CD2 PHE A 35 -5.640 -7.569 2.070 1.00 0.00 C ATOM 587 CE1 PHE A 35 -2.963 -8.239 2.540 1.00 0.00 C ATOM 588 CE2 PHE A 35 -5.250 -8.052 3.324 1.00 0.00 C ATOM 589 CZ PHE A 35 -3.912 -8.387 3.559 1.00 0.00 C ATOM 0 H PHE A 35 -6.093 -6.796 -2.576 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.766 -7.976 -1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.571 -5.986 -0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.175 -6.649 -0.294 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.621 -7.640 0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.673 -7.311 1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.930 -8.498 2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.982 -8.166 4.110 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.611 -8.760 4.527 1.00 0.00 H new ATOM 599 N ASN A 36 -6.594 -9.507 -0.821 1.00 0.00 N ATOM 600 CA ASN A 36 -7.168 -10.762 -0.380 1.00 0.00 C ATOM 601 C ASN A 36 -6.775 -11.852 -1.363 1.00 0.00 C ATOM 602 O ASN A 36 -6.411 -12.963 -0.978 1.00 0.00 O ATOM 603 CB ASN A 36 -8.690 -10.639 -0.332 1.00 0.00 C ATOM 604 CG ASN A 36 -9.102 -9.804 0.874 1.00 0.00 C ATOM 605 OD1 ASN A 36 -9.790 -10.298 1.768 1.00 0.00 O ATOM 606 ND2 ASN A 36 -8.720 -8.558 0.951 1.00 0.00 N ATOM 0 H ASN A 36 -7.278 -8.804 -1.099 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.799 -11.010 0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -9.056 -10.176 -1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -9.142 -11.629 -0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.991 -7.990 1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.150 -8.152 0.209 1.00 0.00 H new ATOM 613 N ASN A 37 -6.841 -11.502 -2.640 1.00 0.00 N ATOM 614 CA ASN A 37 -6.478 -12.428 -3.703 1.00 0.00 C ATOM 615 C ASN A 37 -4.989 -12.713 -3.649 1.00 0.00 C ATOM 616 O ASN A 37 -4.536 -13.813 -3.967 1.00 0.00 O ATOM 617 CB ASN A 37 -6.838 -11.832 -5.064 1.00 0.00 C ATOM 618 CG ASN A 37 -7.455 -12.904 -5.958 1.00 0.00 C ATOM 619 OD1 ASN A 37 -8.676 -13.062 -5.988 1.00 0.00 O ATOM 620 ND2 ASN A 37 -6.680 -13.654 -6.693 1.00 0.00 N ATOM 0 H ASN A 37 -7.143 -10.583 -2.965 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.029 -13.358 -3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.539 -11.007 -4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.946 -11.421 -5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.085 -14.372 -7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.669 -13.522 -6.667 1.00 0.00 H new ATOM 627 N SER A 38 -4.234 -11.705 -3.233 1.00 0.00 N ATOM 628 CA SER A 38 -2.792 -11.840 -3.121 1.00 0.00 C ATOM 629 C SER A 38 -2.466 -12.926 -2.117 1.00 0.00 C ATOM 630 O SER A 38 -1.455 -13.617 -2.234 1.00 0.00 O ATOM 631 CB SER A 38 -2.170 -10.521 -2.669 1.00 0.00 C ATOM 632 OG SER A 38 -2.269 -10.414 -1.254 1.00 0.00 O ATOM 0 H SER A 38 -4.597 -10.789 -2.969 1.00 0.00 H new ATOM 0 HA SER A 38 -2.383 -12.105 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.125 -10.474 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.680 -9.683 -3.145 1.00 0.00 H new ATOM 0 HG SER A 38 -3.182 -10.632 -0.973 1.00 0.00 H new ATOM 638 N ILE A 39 -3.352 -13.093 -1.145 1.00 0.00 N ATOM 639 CA ILE A 39 -3.158 -14.127 -0.142 1.00 0.00 C ATOM 640 C ILE A 39 -3.270 -15.467 -0.829 1.00 0.00 C ATOM 641 O ILE A 39 -2.644 -16.451 -0.438 1.00 0.00 O ATOM 642 CB ILE A 39 -4.213 -14.013 0.961 1.00 0.00 C ATOM 643 CG1 ILE A 39 -4.452 -12.537 1.268 1.00 0.00 C ATOM 644 CG2 ILE A 39 -3.736 -14.729 2.231 1.00 0.00 C ATOM 645 CD1 ILE A 39 -3.115 -11.844 1.537 1.00 0.00 C ATOM 0 H ILE A 39 -4.198 -12.535 -1.031 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.178 -14.016 0.322 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.138 -14.480 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.959 -12.059 0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.105 -12.437 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.497 -14.639 3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.564 -15.783 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.808 -14.274 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.289 -10.790 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.626 -12.316 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.477 -11.931 0.658 1.00 0.00 H new ATOM 657 N LYS A 40 -4.069 -15.476 -1.882 1.00 0.00 N ATOM 658 CA LYS A 40 -4.265 -16.674 -2.672 1.00 0.00 C ATOM 659 C LYS A 40 -3.078 -16.866 -3.599 1.00 0.00 C ATOM 660 O LYS A 40 -2.263 -17.773 -3.427 1.00 0.00 O ATOM 661 CB LYS A 40 -5.545 -16.548 -3.497 1.00 0.00 C ATOM 662 CG LYS A 40 -6.635 -17.438 -2.894 1.00 0.00 C ATOM 663 CD LYS A 40 -6.450 -18.877 -3.379 1.00 0.00 C ATOM 664 CE LYS A 40 -7.143 -19.838 -2.410 1.00 0.00 C ATOM 665 NZ LYS A 40 -6.673 -19.570 -1.020 1.00 0.00 N ATOM 0 H LYS A 40 -4.593 -14.664 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.352 -17.534 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.877 -15.510 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.354 -16.839 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.587 -17.402 -1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.620 -17.070 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.866 -18.991 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.388 -19.115 -3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.224 -19.714 -2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.925 -20.870 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.671 -20.457 -0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.710 -19.179 -1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.310 -18.887 -0.564 1.00 0.00 H new ATOM 679 N SER A 41 -2.999 -15.979 -4.582 1.00 0.00 N ATOM 680 CA SER A 41 -1.926 -16.004 -5.560 1.00 0.00 C ATOM 681 C SER A 41 -0.596 -15.636 -4.919 1.00 0.00 C ATOM 682 O SER A 41 0.393 -16.357 -5.048 1.00 0.00 O ATOM 683 CB SER A 41 -2.232 -15.020 -6.688 1.00 0.00 C ATOM 684 OG SER A 41 -3.248 -15.563 -7.522 1.00 0.00 O ATOM 0 H SER A 41 -3.674 -15.227 -4.721 1.00 0.00 H new ATOM 0 HA SER A 41 -1.853 -17.016 -5.959 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.556 -14.065 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.332 -14.826 -7.271 1.00 0.00 H new ATOM 0 HG SER A 41 -3.448 -14.933 -8.246 1.00 0.00 H new ATOM 690 N GLY A 42 -0.585 -14.498 -4.234 1.00 0.00 N ATOM 691 CA GLY A 42 0.626 -14.021 -3.581 1.00 0.00 C ATOM 692 C GLY A 42 1.034 -14.960 -2.459 1.00 0.00 C ATOM 693 O GLY A 42 2.180 -15.402 -2.390 1.00 0.00 O ATOM 0 H GLY A 42 -1.397 -13.892 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.433 -13.945 -4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.461 -13.020 -3.183 1.00 0.00 H new ATOM 697 N ASP A 43 0.080 -15.262 -1.590 1.00 0.00 N ATOM 698 CA ASP A 43 0.332 -16.154 -0.465 1.00 0.00 C ATOM 699 C ASP A 43 1.473 -15.630 0.403 1.00 0.00 C ATOM 700 O ASP A 43 1.296 -15.389 1.597 1.00 0.00 O ATOM 701 CB ASP A 43 0.674 -17.546 -0.987 1.00 0.00 C ATOM 702 CG ASP A 43 0.808 -18.524 0.177 1.00 0.00 C ATOM 703 OD1 ASP A 43 1.825 -18.482 0.849 1.00 0.00 O ATOM 704 OD2 ASP A 43 -0.111 -19.300 0.379 1.00 0.00 O ATOM 0 H ASP A 43 -0.874 -14.904 -1.641 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.567 -16.202 0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.103 -17.887 -1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.605 -17.512 -1.553 1.00 0.00 H new ATOM 709 N ASP A 44 2.640 -15.456 -0.203 1.00 0.00 N ATOM 710 CA ASP A 44 3.803 -14.960 0.526 1.00 0.00 C ATOM 711 C ASP A 44 4.622 -14.016 -0.347 1.00 0.00 C ATOM 712 O ASP A 44 5.764 -14.315 -0.699 1.00 0.00 O ATOM 713 CB ASP A 44 4.679 -16.132 0.972 1.00 0.00 C ATOM 714 CG ASP A 44 5.724 -15.654 1.976 1.00 0.00 C ATOM 715 OD1 ASP A 44 5.554 -14.570 2.508 1.00 0.00 O ATOM 716 OD2 ASP A 44 6.679 -16.382 2.196 1.00 0.00 O ATOM 0 H ASP A 44 2.808 -15.649 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 44 3.452 -14.414 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.060 -16.908 1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.171 -16.578 0.108 1.00 0.00 H new ATOM 721 N THR A 45 4.034 -12.876 -0.692 1.00 0.00 N ATOM 722 CA THR A 45 4.722 -11.896 -1.523 1.00 0.00 C ATOM 723 C THR A 45 3.874 -10.638 -1.693 1.00 0.00 C ATOM 724 O THR A 45 2.704 -10.610 -1.311 1.00 0.00 O ATOM 725 CB THR A 45 5.025 -12.498 -2.897 1.00 0.00 C ATOM 726 OG1 THR A 45 5.629 -11.510 -3.722 1.00 0.00 O ATOM 727 CG2 THR A 45 3.726 -12.982 -3.545 1.00 0.00 C ATOM 0 H THR A 45 3.090 -12.609 -0.412 1.00 0.00 H new ATOM 0 HA THR A 45 5.655 -11.624 -1.029 1.00 0.00 H new ATOM 0 HB THR A 45 5.705 -13.342 -2.781 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.825 -11.894 -4.602 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.945 -13.410 -4.523 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.264 -13.740 -2.912 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.042 -12.141 -3.662 1.00 0.00 H new ATOM 735 N TYR A 46 4.478 -9.603 -2.270 1.00 0.00 N ATOM 736 CA TYR A 46 3.779 -8.342 -2.496 1.00 0.00 C ATOM 737 C TYR A 46 3.381 -7.692 -1.173 1.00 0.00 C ATOM 738 O TYR A 46 3.095 -6.495 -1.124 1.00 0.00 O ATOM 739 CB TYR A 46 2.533 -8.578 -3.351 1.00 0.00 C ATOM 740 CG TYR A 46 2.893 -8.456 -4.812 1.00 0.00 C ATOM 741 CD1 TYR A 46 3.733 -9.407 -5.407 1.00 0.00 C ATOM 742 CD2 TYR A 46 2.391 -7.393 -5.573 1.00 0.00 C ATOM 743 CE1 TYR A 46 4.067 -9.295 -6.763 1.00 0.00 C ATOM 744 CE2 TYR A 46 2.725 -7.281 -6.928 1.00 0.00 C ATOM 745 CZ TYR A 46 3.564 -8.232 -7.522 1.00 0.00 C ATOM 746 OH TYR A 46 3.895 -8.121 -8.858 1.00 0.00 O ATOM 0 H TYR A 46 5.447 -9.612 -2.589 1.00 0.00 H new ATOM 0 HA TYR A 46 4.456 -7.669 -3.021 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.122 -9.567 -3.148 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.760 -7.853 -3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.123 -10.226 -4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.745 -6.659 -5.114 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.713 -10.029 -7.223 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.336 -6.462 -7.515 1.00 0.00 H new ATOM 0 HH TYR A 46 3.462 -7.328 -9.238 1.00 0.00 H new ATOM 756 N HIS A 47 3.367 -8.482 -0.103 1.00 0.00 N ATOM 757 CA HIS A 47 3.006 -7.957 1.211 1.00 0.00 C ATOM 758 C HIS A 47 3.900 -6.780 1.571 1.00 0.00 C ATOM 759 O HIS A 47 4.977 -6.956 2.139 1.00 0.00 O ATOM 760 CB HIS A 47 3.146 -9.051 2.271 1.00 0.00 C ATOM 761 CG HIS A 47 2.068 -10.081 2.078 1.00 0.00 C ATOM 762 ND1 HIS A 47 2.346 -11.374 1.667 1.00 0.00 N ATOM 763 CD2 HIS A 47 0.706 -10.024 2.240 1.00 0.00 C ATOM 764 CE1 HIS A 47 1.177 -12.037 1.595 1.00 0.00 C ATOM 765 NE2 HIS A 47 0.146 -11.260 1.934 1.00 0.00 N ATOM 0 H HIS A 47 3.598 -9.475 -0.118 1.00 0.00 H new ATOM 0 HA HIS A 47 1.970 -7.620 1.178 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.128 -9.519 2.198 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.074 -8.617 3.268 1.00 0.00 H new ATOM 0 HD1 HIS A 47 3.269 -11.755 1.457 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.153 -9.152 2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.084 -13.072 1.299 1.00 0.00 H new ATOM 774 N GLY A 48 3.451 -5.579 1.230 1.00 0.00 N ATOM 775 CA GLY A 48 4.224 -4.380 1.517 1.00 0.00 C ATOM 776 C GLY A 48 3.390 -3.124 1.303 1.00 0.00 C ATOM 777 O GLY A 48 2.279 -3.183 0.778 1.00 0.00 O ATOM 0 H GLY A 48 2.563 -5.411 0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.581 -4.412 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.104 -4.349 0.875 1.00 0.00 H new ATOM 781 N HIS A 49 3.937 -1.986 1.713 1.00 0.00 N ATOM 782 CA HIS A 49 3.240 -0.716 1.559 1.00 0.00 C ATOM 783 C HIS A 49 4.220 0.384 1.160 1.00 0.00 C ATOM 784 O HIS A 49 5.426 0.259 1.370 1.00 0.00 O ATOM 785 CB HIS A 49 2.543 -0.343 2.868 1.00 0.00 C ATOM 786 CG HIS A 49 3.367 -0.831 4.024 1.00 0.00 C ATOM 787 ND1 HIS A 49 3.733 -2.159 4.164 1.00 0.00 N ATOM 788 CD2 HIS A 49 3.909 -0.177 5.103 1.00 0.00 C ATOM 789 CE1 HIS A 49 4.464 -2.262 5.289 1.00 0.00 C ATOM 790 NE2 HIS A 49 4.601 -1.082 5.900 1.00 0.00 N ATOM 0 H HIS A 49 4.855 -1.917 2.152 1.00 0.00 H new ATOM 0 HA HIS A 49 2.493 -0.820 0.772 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.413 0.737 2.929 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.548 -0.786 2.903 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.812 0.880 5.302 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.888 -3.186 5.653 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.105 -0.887 6.765 1.00 0.00 H new ATOM 799 N VAL A 50 3.840 1.497 0.578 1.00 0.00 N ATOM 800 CA VAL A 50 4.676 2.614 0.147 1.00 0.00 C ATOM 801 C VAL A 50 4.267 3.891 0.879 1.00 0.00 C ATOM 802 O VAL A 50 3.083 4.128 1.115 1.00 0.00 O ATOM 803 CB VAL A 50 4.544 2.798 -1.374 1.00 0.00 C ATOM 804 CG1 VAL A 50 4.238 4.259 -1.716 1.00 0.00 C ATOM 805 CG2 VAL A 50 5.853 2.386 -2.049 1.00 0.00 C ATOM 0 H VAL A 50 2.856 1.667 0.372 1.00 0.00 H new ATOM 0 HA VAL A 50 5.717 2.400 0.388 1.00 0.00 H new ATOM 0 HB VAL A 50 3.725 2.174 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.148 4.369 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.302 4.555 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.046 4.895 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.763 2.515 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.666 3.008 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.064 1.340 -1.825 1.00 0.00 H new ATOM 815 N ASP A 51 5.107 4.671 1.255 1.00 0.00 N ATOM 816 CA ASP A 51 4.825 5.914 1.963 1.00 0.00 C ATOM 817 C ASP A 51 5.455 7.107 1.257 1.00 0.00 C ATOM 818 O ASP A 51 6.581 7.031 0.765 1.00 0.00 O ATOM 819 CB ASP A 51 5.347 5.841 3.400 1.00 0.00 C ATOM 820 CG ASP A 51 4.990 4.493 4.016 1.00 0.00 C ATOM 821 OD1 ASP A 51 4.896 3.531 3.272 1.00 0.00 O ATOM 822 OD2 ASP A 51 4.816 4.442 5.222 1.00 0.00 O ATOM 0 H ASP A 51 6.104 4.517 1.103 1.00 0.00 H new ATOM 0 HA ASP A 51 3.743 6.047 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.428 5.980 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.916 6.647 3.994 1.00 0.00 H new ATOM 827 N TRP A 52 4.724 8.214 1.231 1.00 0.00 N ATOM 828 CA TRP A 52 5.216 9.432 0.604 1.00 0.00 C ATOM 829 C TRP A 52 5.523 10.463 1.679 1.00 0.00 C ATOM 830 O TRP A 52 4.788 10.584 2.658 1.00 0.00 O ATOM 831 CB TRP A 52 4.173 9.992 -0.368 1.00 0.00 C ATOM 832 CG TRP A 52 4.621 9.762 -1.777 1.00 0.00 C ATOM 833 CD1 TRP A 52 4.728 8.551 -2.370 1.00 0.00 C ATOM 834 CD2 TRP A 52 5.022 10.744 -2.777 1.00 0.00 C ATOM 835 NE1 TRP A 52 5.170 8.726 -3.669 1.00 0.00 N ATOM 836 CE2 TRP A 52 5.365 10.060 -3.968 1.00 0.00 C ATOM 837 CE3 TRP A 52 5.120 12.148 -2.767 1.00 0.00 C ATOM 838 CZ2 TRP A 52 5.791 10.743 -5.107 1.00 0.00 C ATOM 839 CZ3 TRP A 52 5.548 12.838 -3.913 1.00 0.00 C ATOM 840 CH2 TRP A 52 5.884 12.138 -5.080 1.00 0.00 C ATOM 0 H TRP A 52 3.791 8.293 1.636 1.00 0.00 H new ATOM 0 HA TRP A 52 6.123 9.202 0.045 1.00 0.00 H new ATOM 0 HB2 TRP A 52 3.210 9.511 -0.200 1.00 0.00 H new ATOM 0 HB3 TRP A 52 4.032 11.058 -0.191 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.505 7.602 -1.905 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.332 7.963 -4.326 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.865 12.698 -1.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.047 10.198 -6.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 5.619 13.916 -3.895 1.00 0.00 H new ATOM 0 HH2 TRP A 52 6.214 12.675 -5.957 1.00 0.00 H new ATOM 851 N LEU A 53 6.426 11.196 1.560 1.00 0.00 N ATOM 852 CA LEU A 53 6.814 12.200 2.541 1.00 0.00 C ATOM 853 C LEU A 53 6.591 13.603 1.995 1.00 0.00 C ATOM 854 O LEU A 53 6.485 13.804 0.784 1.00 0.00 O ATOM 855 CB LEU A 53 8.284 12.023 2.926 1.00 0.00 C ATOM 856 CG LEU A 53 8.448 12.235 4.431 1.00 0.00 C ATOM 857 CD1 LEU A 53 8.103 10.941 5.172 1.00 0.00 C ATOM 858 CD2 LEU A 53 9.895 12.627 4.737 1.00 0.00 C ATOM 0 H LEU A 53 7.029 11.190 0.738 1.00 0.00 H new ATOM 0 HA LEU A 53 6.192 12.068 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.625 11.025 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.902 12.735 2.379 1.00 0.00 H new ATOM 0 HG LEU A 53 7.778 13.030 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.220 11.094 6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.072 10.662 4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.771 10.145 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.012 12.778 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.565 11.833 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.141 13.550 4.212 1.00 0.00 H new ATOM 870 N MET A 54 6.700 14.566 2.845 1.00 0.00 N ATOM 871 CA MET A 54 6.481 15.953 2.467 1.00 0.00 C ATOM 872 C MET A 54 7.472 16.389 1.393 1.00 0.00 C ATOM 873 O MET A 54 7.430 17.527 0.926 1.00 0.00 O ATOM 874 CB MET A 54 6.623 16.845 3.700 1.00 0.00 C ATOM 875 CG MET A 54 8.106 17.035 4.022 1.00 0.00 C ATOM 876 SD MET A 54 8.278 17.903 5.601 1.00 0.00 S ATOM 877 CE MET A 54 10.069 18.155 5.528 1.00 0.00 C ATOM 0 H MET A 54 6.943 14.432 3.827 1.00 0.00 H new ATOM 0 HA MET A 54 5.475 16.048 2.059 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.152 17.811 3.519 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.110 16.394 4.550 1.00 0.00 H new ATOM 0 HG2 MET A 54 8.605 16.067 4.071 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.591 17.603 3.228 1.00 0.00 H new ATOM 0 HE1 MET A 54 10.399 18.684 6.422 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.570 17.189 5.473 1.00 0.00 H new ATOM 0 HE3 MET A 54 10.318 18.744 4.645 1.00 0.00 H new ATOM 887 N TYR A 55 8.362 15.481 0.999 1.00 0.00 N ATOM 888 CA TYR A 55 9.347 15.800 -0.027 1.00 0.00 C ATOM 889 C TYR A 55 10.196 14.578 -0.377 1.00 0.00 C ATOM 890 O TYR A 55 11.146 14.674 -1.154 1.00 0.00 O ATOM 891 CB TYR A 55 10.249 16.942 0.457 1.00 0.00 C ATOM 892 CG TYR A 55 11.493 16.377 1.103 1.00 0.00 C ATOM 893 CD1 TYR A 55 11.448 15.904 2.420 1.00 0.00 C ATOM 894 CD2 TYR A 55 12.692 16.328 0.382 1.00 0.00 C ATOM 895 CE1 TYR A 55 12.603 15.381 3.016 1.00 0.00 C ATOM 896 CE2 TYR A 55 13.846 15.806 0.978 1.00 0.00 C ATOM 897 CZ TYR A 55 13.803 15.334 2.295 1.00 0.00 C ATOM 898 OH TYR A 55 14.942 14.819 2.882 1.00 0.00 O ATOM 0 H TYR A 55 8.421 14.532 1.369 1.00 0.00 H new ATOM 0 HA TYR A 55 8.815 16.111 -0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.523 17.581 -0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.710 17.566 1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 55 10.523 15.942 2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.727 16.693 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 55 12.568 15.014 4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.771 15.767 0.421 1.00 0.00 H new ATOM 0 HH TYR A 55 15.685 14.859 2.245 1.00 0.00 H new ATOM 908 N THR A 56 10.043 13.430 0.162 1.00 0.00 N ATOM 909 CA THR A 56 10.786 12.201 -0.106 1.00 0.00 C ATOM 910 C THR A 56 9.840 11.009 -0.231 1.00 0.00 C ATOM 911 O THR A 56 8.705 11.055 0.239 1.00 0.00 O ATOM 912 CB THR A 56 11.785 11.940 1.025 1.00 0.00 C ATOM 913 OG1 THR A 56 11.931 13.120 1.803 1.00 0.00 O ATOM 914 CG2 THR A 56 13.139 11.545 0.435 1.00 0.00 C ATOM 0 H THR A 56 9.330 13.283 0.877 1.00 0.00 H new ATOM 0 HA THR A 56 11.320 12.324 -1.048 1.00 0.00 H new ATOM 0 HB THR A 56 11.418 11.129 1.655 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.785 13.550 1.589 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.848 11.360 1.242 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.026 10.641 -0.163 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.511 12.353 -0.196 1.00 0.00 H new ATOM 922 N ASP A 57 10.137 9.935 -0.796 1.00 0.00 N ATOM 923 CA ASP A 57 9.329 8.730 -0.959 1.00 0.00 C ATOM 924 C ASP A 57 9.906 7.595 -0.119 1.00 0.00 C ATOM 925 O ASP A 57 11.119 7.510 0.073 1.00 0.00 O ATOM 926 CB ASP A 57 9.293 8.310 -2.430 1.00 0.00 C ATOM 927 CG ASP A 57 8.604 9.386 -3.263 1.00 0.00 C ATOM 928 OD1 ASP A 57 8.074 10.314 -2.676 1.00 0.00 O ATOM 929 OD2 ASP A 57 8.615 9.263 -4.476 1.00 0.00 O ATOM 0 H ASP A 57 11.056 9.818 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 57 8.314 8.946 -0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.307 8.149 -2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.763 7.363 -2.534 1.00 0.00 H new ATOM 934 N ALA A 58 9.033 6.727 0.380 1.00 0.00 N ATOM 935 CA ALA A 58 9.478 5.606 1.200 1.00 0.00 C ATOM 936 C ALA A 58 8.865 4.298 0.709 1.00 0.00 C ATOM 937 O ALA A 58 7.795 4.290 0.101 1.00 0.00 O ATOM 938 CB ALA A 58 9.084 5.842 2.659 1.00 0.00 C ATOM 0 H ALA A 58 8.025 6.776 0.234 1.00 0.00 H new ATOM 0 HA ALA A 58 10.563 5.532 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.419 5.001 3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.551 6.759 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.000 5.934 2.733 1.00 0.00 H new ATOM 944 N LYS A 59 9.552 3.196 0.988 1.00 0.00 N ATOM 945 CA LYS A 59 9.077 1.881 0.584 1.00 0.00 C ATOM 946 C LYS A 59 9.349 0.873 1.687 1.00 0.00 C ATOM 947 O LYS A 59 10.411 0.894 2.310 1.00 0.00 O ATOM 948 CB LYS A 59 9.780 1.424 -0.693 1.00 0.00 C ATOM 949 CG LYS A 59 8.943 1.817 -1.910 1.00 0.00 C ATOM 950 CD LYS A 59 9.704 1.467 -3.189 1.00 0.00 C ATOM 951 CE LYS A 59 8.706 1.120 -4.297 1.00 0.00 C ATOM 952 NZ LYS A 59 7.939 2.341 -4.673 1.00 0.00 N ATOM 0 H LYS A 59 10.439 3.189 1.492 1.00 0.00 H new ATOM 0 HA LYS A 59 8.005 1.947 0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.769 1.878 -0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.926 0.344 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.986 1.296 -1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.725 2.885 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.327 2.307 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.371 0.624 -3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.233 0.726 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.025 0.340 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.950 2.084 -4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.971 3.025 -3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.360 2.767 -5.523 1.00 0.00 H new ATOM 966 N GLU A 60 8.394 -0.010 1.927 1.00 0.00 N ATOM 967 CA GLU A 60 8.559 -1.016 2.961 1.00 0.00 C ATOM 968 C GLU A 60 7.981 -2.350 2.505 1.00 0.00 C ATOM 969 O GLU A 60 6.877 -2.728 2.897 1.00 0.00 O ATOM 970 CB GLU A 60 7.869 -0.549 4.242 1.00 0.00 C ATOM 971 CG GLU A 60 7.791 -1.708 5.237 1.00 0.00 C ATOM 972 CD GLU A 60 7.792 -1.167 6.663 1.00 0.00 C ATOM 973 OE1 GLU A 60 7.247 -0.095 6.869 1.00 0.00 O ATOM 974 OE2 GLU A 60 8.340 -1.832 7.527 1.00 0.00 O ATOM 0 H GLU A 60 7.506 -0.051 1.426 1.00 0.00 H new ATOM 0 HA GLU A 60 9.622 -1.154 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.420 0.283 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.867 -0.184 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.887 -2.291 5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.637 -2.380 5.093 1.00 0.00 H new ATOM 981 N PHE A 61 8.741 -3.058 1.676 1.00 0.00 N ATOM 982 CA PHE A 61 8.305 -4.353 1.167 1.00 0.00 C ATOM 983 C PHE A 61 8.903 -5.482 1.997 1.00 0.00 C ATOM 984 O PHE A 61 8.181 -6.247 2.636 1.00 0.00 O ATOM 985 CB PHE A 61 8.733 -4.513 -0.293 1.00 0.00 C ATOM 986 CG PHE A 61 8.717 -5.977 -0.665 1.00 0.00 C ATOM 987 CD1 PHE A 61 7.523 -6.704 -0.588 1.00 0.00 C ATOM 988 CD2 PHE A 61 9.893 -6.607 -1.089 1.00 0.00 C ATOM 989 CE1 PHE A 61 7.505 -8.060 -0.933 1.00 0.00 C ATOM 990 CE2 PHE A 61 9.875 -7.964 -1.435 1.00 0.00 C ATOM 991 CZ PHE A 61 8.681 -8.691 -1.357 1.00 0.00 C ATOM 0 H PHE A 61 9.658 -2.759 1.344 1.00 0.00 H new ATOM 0 HA PHE A 61 7.218 -4.401 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.060 -3.954 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.732 -4.101 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.615 -6.218 -0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.814 -6.047 -1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.584 -8.620 -0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.782 -8.450 -1.762 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.667 -9.737 -1.624 1.00 0.00 H new ATOM 1001 N SER A 62 10.227 -5.583 1.979 1.00 0.00 N ATOM 1002 CA SER A 62 10.914 -6.624 2.731 1.00 0.00 C ATOM 1003 C SER A 62 11.498 -6.058 4.022 1.00 0.00 C ATOM 1004 O SER A 62 12.035 -4.951 4.040 1.00 0.00 O ATOM 1005 CB SER A 62 12.032 -7.227 1.880 1.00 0.00 C ATOM 1006 OG SER A 62 13.006 -6.228 1.608 1.00 0.00 O ATOM 0 H SER A 62 10.842 -4.961 1.455 1.00 0.00 H new ATOM 0 HA SER A 62 10.193 -7.400 2.986 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.491 -8.066 2.403 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.625 -7.618 0.947 1.00 0.00 H new ATOM 0 HG SER A 62 13.725 -6.612 1.064 1.00 0.00 H new ATOM 1012 N SER A 63 11.387 -6.827 5.101 1.00 0.00 N ATOM 1013 CA SER A 63 11.906 -6.394 6.392 1.00 0.00 C ATOM 1014 C SER A 63 13.422 -6.553 6.440 1.00 0.00 C ATOM 1015 O SER A 63 14.062 -6.805 5.419 1.00 0.00 O ATOM 1016 CB SER A 63 11.270 -7.218 7.512 1.00 0.00 C ATOM 1017 OG SER A 63 10.935 -6.360 8.595 1.00 0.00 O ATOM 0 H SER A 63 10.945 -7.746 5.107 1.00 0.00 H new ATOM 0 HA SER A 63 11.658 -5.342 6.529 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.377 -7.724 7.145 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.961 -7.992 7.847 1.00 0.00 H new ATOM 0 HG SER A 63 10.525 -6.885 9.314 1.00 0.00 H new ATOM 1023 N THR A 64 13.990 -6.406 7.633 1.00 0.00 N ATOM 1024 CA THR A 64 15.433 -6.537 7.805 1.00 0.00 C ATOM 1025 C THR A 64 15.757 -7.718 8.714 1.00 0.00 C ATOM 1026 CB THR A 64 16.006 -5.253 8.410 1.00 0.00 C ATOM 1027 OG1 THR A 64 17.421 -5.364 8.495 1.00 0.00 O ATOM 1028 CG2 THR A 64 15.425 -5.041 9.809 1.00 0.00 C ATOM 0 H THR A 64 13.477 -6.197 8.490 1.00 0.00 H new ATOM 0 HA THR A 64 15.883 -6.710 6.827 1.00 0.00 H new ATOM 0 HB THR A 64 15.743 -4.404 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.791 -4.542 8.880 1.00 0.00 H new ATOM 0 HG21 THR A 64 15.834 -4.126 10.238 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.340 -4.958 9.744 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.686 -5.888 10.444 1.00 0.00 H new TER 1036 THR A 64 HETATM 1037 ZN ZN A1319 -5.384 -4.127 -6.952 1.00 0.00 ZN HETATM 1038 PG ATP A1318 2.828 1.249 11.066 1.00 0.00 P HETATM 1039 O1G ATP A1318 3.553 0.893 12.307 1.00 0.00 O HETATM 1040 O2G ATP A1318 3.811 2.065 10.086 1.00 0.00 O HETATM 1041 O3G ATP A1318 1.545 2.151 11.424 1.00 0.00 O HETATM 1042 PB ATP A1318 0.773 -0.262 10.649 1.00 0.00 P HETATM 1043 O1B ATP A1318 0.537 -0.093 12.101 1.00 0.00 O HETATM 1044 O2B ATP A1318 -0.067 0.852 9.840 1.00 0.00 O HETATM 1045 O3B ATP A1318 2.340 -0.099 10.330 1.00 0.00 O HETATM 1046 PA ATP A1318 0.788 -1.949 8.685 1.00 0.00 P HETATM 1047 O1A ATP A1318 2.261 -1.795 8.616 1.00 0.00 O HETATM 1048 O2A ATP A1318 0.094 -0.854 7.726 1.00 0.00 O HETATM 1049 O3A ATP A1318 0.288 -1.733 10.200 1.00 0.00 O HETATM 1050 O5' ATP A1318 0.363 -3.426 8.186 1.00 0.00 O HETATM 1051 C5' ATP A1318 1.343 -4.355 8.667 1.00 0.00 C HETATM 1052 C4' ATP A1318 1.796 -5.251 7.511 1.00 0.00 C HETATM 1053 O4' ATP A1318 0.644 -5.674 6.725 1.00 0.00 O HETATM 1054 C3' ATP A1318 2.751 -4.494 6.564 1.00 0.00 C HETATM 1055 O3' ATP A1318 4.036 -5.121 6.532 1.00 0.00 O HETATM 1056 C2' ATP A1318 2.060 -4.522 5.196 1.00 0.00 C HETATM 1057 O2' ATP A1318 3.004 -4.778 4.155 1.00 0.00 O HETATM 1058 C1' ATP A1318 1.010 -5.631 5.319 1.00 0.00 C HETATM 1059 N9 ATP A1318 -0.170 -5.300 4.519 1.00 0.00 N HETATM 1060 C8 ATP A1318 -1.361 -4.838 5.002 1.00 0.00 C HETATM 1061 N7 ATP A1318 -2.260 -4.859 4.061 1.00 0.00 N HETATM 1062 C5 ATP A1318 -1.648 -5.098 2.880 1.00 0.00 C HETATM 1063 C6 ATP A1318 -2.041 -5.117 1.518 1.00 0.00 C HETATM 1064 N6 ATP A1318 -3.378 -5.054 1.174 1.00 0.00 N HETATM 1065 N1 ATP A1318 -1.083 -5.203 0.564 1.00 0.00 N HETATM 1066 C2 ATP A1318 0.161 -5.600 0.860 1.00 0.00 C HETATM 1067 N3 ATP A1318 0.557 -5.681 2.134 1.00 0.00 N HETATM 1068 C4 ATP A1318 -0.288 -5.393 3.156 1.00 0.00 C HETATM 0 HO3' ATP A1318 4.300 -5.278 5.601 1.00 0.00 H new HETATM 0 HO2' ATP A1318 3.362 -3.929 3.821 1.00 0.00 H new HETATM 0 HN62 ATP A1318 -3.653 -5.068 0.192 1.00 0.00 H new HETATM 0 HN61 ATP A1318 -4.090 -4.993 1.902 1.00 0.00 H new HETATM 0 H5'2 ATP A1318 2.196 -3.819 9.084 1.00 0.00 H new HETATM 0 H5'1 ATP A1318 0.924 -4.961 9.470 1.00 0.00 H new HETATM 0 H8 ATP A1318 -1.533 -4.501 6.024 1.00 0.00 H new HETATM 0 H4' ATP A1318 2.307 -6.110 7.946 1.00 0.00 H new HETATM 0 H3' ATP A1318 2.936 -3.470 6.890 1.00 0.00 H new HETATM 0 H2' ATP A1318 1.601 -3.569 4.933 1.00 0.00 H new HETATM 0 H2 ATP A1318 0.854 -5.858 0.059 1.00 0.00 H new HETATM 0 H1' ATP A1318 1.397 -6.587 4.966 1.00 0.00 H new