USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 740 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 NoAdj-H: A 12 HIS HE2 : A 12 HIS NE2 : A 147 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 147 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HE2 : B 12 HIS NE2 : B 147 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 147 ZNZN :(H bumps) USER MOD Set 1.1: A 35 GLN : amide:sc= -2.11 K(o=-4.3,f=-8.5!) USER MOD Set 1.2: B 35 GLN : amide:sc= -2.16 K(o=-4.3,f=-8.6!) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.188 K(o=-0.19,f=-1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -100:sc= 0.444 USER MOD Single : A 18 ASN : amide:sc= -0.145 K(o=-0.15,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 74:sc= 0.822 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 38 ASN : amide:sc= 1.25 K(o=1.2,f=-0.16) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.301 K(o=-0.3,f=-1.5) USER MOD Single : A 44 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.66) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= -0.227 K(o=-0.23,f=-1) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -100:sc= 0.436 USER MOD Single : B 18 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.1) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot 74:sc= 0.791 USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 38 ASN : amide:sc= 1.09 K(o=1.1,f=-0.16) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.316 K(o=-0.32,f=-1.5) USER MOD Single : B 44 GLN : amide:sc= -0.667 X(o=-0.67,f=-0.67) USER MOD Single : B 45 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -3.269 -13.520 -8.591 1.00 0.00 N ATOM 2 CA PHE A 1 -3.395 -12.160 -8.002 1.00 0.00 C ATOM 3 C PHE A 1 -4.388 -11.310 -8.788 1.00 0.00 C ATOM 4 O PHE A 1 -5.318 -10.739 -8.218 1.00 0.00 O ATOM 5 CB PHE A 1 -2.018 -11.495 -8.003 1.00 0.00 C ATOM 6 CG PHE A 1 -1.957 -10.251 -7.165 1.00 0.00 C ATOM 7 CD1 PHE A 1 -2.374 -9.034 -7.678 1.00 0.00 C ATOM 8 CD2 PHE A 1 -1.483 -10.300 -5.864 1.00 0.00 C ATOM 9 CE1 PHE A 1 -2.321 -7.888 -6.908 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.427 -9.156 -5.090 1.00 0.00 C ATOM 11 CZ PHE A 1 -1.847 -7.949 -5.613 1.00 0.00 C ATOM 0 H1 PHE A 1 -2.587 -14.077 -8.037 1.00 0.00 H new ATOM 0 H2 PHE A 1 -4.195 -13.992 -8.576 1.00 0.00 H new ATOM 0 H3 PHE A 1 -2.936 -13.443 -9.573 1.00 0.00 H new ATOM 0 HA PHE A 1 -3.769 -12.247 -6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -1.278 -12.207 -7.637 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -1.743 -11.248 -9.028 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -2.745 -8.980 -8.691 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.154 -11.242 -5.450 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -2.650 -6.945 -7.319 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -1.055 -9.206 -4.077 1.00 0.00 H new ATOM 0 HZ PHE A 1 -1.805 -7.054 -5.010 1.00 0.00 H new ATOM 23 N LEU A 2 -4.186 -11.232 -10.099 1.00 0.00 N ATOM 24 CA LEU A 2 -5.067 -10.450 -10.961 1.00 0.00 C ATOM 25 C LEU A 2 -6.262 -11.273 -11.460 1.00 0.00 C ATOM 26 O LEU A 2 -6.950 -10.863 -12.394 1.00 0.00 O ATOM 27 CB LEU A 2 -4.285 -9.908 -12.157 1.00 0.00 C ATOM 28 CG LEU A 2 -3.061 -9.063 -11.800 1.00 0.00 C ATOM 29 CD1 LEU A 2 -2.137 -8.926 -13.001 1.00 0.00 C ATOM 30 CD2 LEU A 2 -3.487 -7.694 -11.293 1.00 0.00 C ATOM 0 H LEU A 2 -3.422 -11.699 -10.588 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.455 -9.624 -10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.961 -10.748 -12.771 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.957 -9.306 -12.769 1.00 0.00 H new ATOM 0 HG LEU A 2 -2.515 -9.569 -11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.272 -8.322 -12.728 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.804 -9.914 -13.318 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.672 -8.444 -13.819 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -2.603 -7.107 -11.044 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.057 -7.181 -12.067 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.107 -7.812 -10.404 1.00 0.00 H new ATOM 42 N GLU A 3 -6.509 -12.425 -10.840 1.00 0.00 N ATOM 43 CA GLU A 3 -7.622 -13.278 -11.237 1.00 0.00 C ATOM 44 C GLU A 3 -8.932 -12.786 -10.625 1.00 0.00 C ATOM 45 O GLU A 3 -9.883 -12.472 -11.341 1.00 0.00 O ATOM 46 CB GLU A 3 -7.358 -14.726 -10.816 1.00 0.00 C ATOM 47 CG GLU A 3 -6.389 -15.458 -11.732 1.00 0.00 C ATOM 48 CD GLU A 3 -6.997 -16.697 -12.362 1.00 0.00 C ATOM 49 OE1 GLU A 3 -7.858 -16.547 -13.255 1.00 0.00 O ATOM 50 OE2 GLU A 3 -6.614 -17.817 -11.964 1.00 0.00 O ATOM 0 H GLU A 3 -5.955 -12.786 -10.064 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.712 -13.234 -12.322 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.962 -14.734 -9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.304 -15.268 -10.794 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.059 -14.781 -12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.503 -15.742 -11.164 1.00 0.00 H new ATOM 57 N LYS A 4 -8.972 -12.722 -9.299 1.00 0.00 N ATOM 58 CA LYS A 4 -10.166 -12.271 -8.589 1.00 0.00 C ATOM 59 C LYS A 4 -10.147 -10.759 -8.360 1.00 0.00 C ATOM 60 O LYS A 4 -11.196 -10.141 -8.184 1.00 0.00 O ATOM 61 CB LYS A 4 -10.288 -12.998 -7.249 1.00 0.00 C ATOM 62 CG LYS A 4 -10.219 -14.512 -7.369 1.00 0.00 C ATOM 63 CD LYS A 4 -11.554 -15.099 -7.795 1.00 0.00 C ATOM 64 CE LYS A 4 -11.495 -16.616 -7.883 1.00 0.00 C ATOM 65 NZ LYS A 4 -12.649 -17.172 -8.644 1.00 0.00 N ATOM 0 H LYS A 4 -8.192 -12.976 -8.693 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.030 -12.506 -9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.492 -12.658 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.232 -12.722 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.452 -14.786 -8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.921 -14.941 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.325 -14.805 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.840 -14.688 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.564 -16.916 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.485 -17.038 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.573 -18.209 -8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.537 -16.907 -8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.644 -16.789 -9.611 1.00 0.00 H new ATOM 79 N ILE A 5 -8.955 -10.168 -8.358 1.00 0.00 N ATOM 80 CA ILE A 5 -8.819 -8.731 -8.144 1.00 0.00 C ATOM 81 C ILE A 5 -9.293 -7.942 -9.365 1.00 0.00 C ATOM 82 O ILE A 5 -9.859 -6.857 -9.231 1.00 0.00 O ATOM 83 CB ILE A 5 -7.357 -8.354 -7.817 1.00 0.00 C ATOM 84 CG1 ILE A 5 -6.875 -9.139 -6.596 1.00 0.00 C ATOM 85 CG2 ILE A 5 -7.223 -6.854 -7.574 1.00 0.00 C ATOM 86 CD1 ILE A 5 -5.436 -8.859 -6.224 1.00 0.00 C ATOM 0 H ILE A 5 -8.073 -10.660 -8.502 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.449 -8.470 -7.293 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.734 -8.613 -8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.514 -8.900 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.990 -10.205 -6.792 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.185 -6.614 -7.346 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.533 -6.312 -8.467 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.855 -6.563 -6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.164 -9.451 -5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.786 -9.125 -7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.319 -7.800 -5.996 1.00 0.00 H new ATOM 98 N GLU A 6 -9.058 -8.488 -10.554 1.00 0.00 N ATOM 99 CA GLU A 6 -9.462 -7.825 -11.792 1.00 0.00 C ATOM 100 C GLU A 6 -10.970 -7.541 -11.797 1.00 0.00 C ATOM 101 O GLU A 6 -11.384 -6.386 -11.889 1.00 0.00 O ATOM 102 CB GLU A 6 -9.078 -8.678 -13.004 1.00 0.00 C ATOM 103 CG GLU A 6 -7.774 -8.251 -13.660 1.00 0.00 C ATOM 104 CD GLU A 6 -7.994 -7.481 -14.949 1.00 0.00 C ATOM 105 OE1 GLU A 6 -8.515 -6.348 -14.881 1.00 0.00 O ATOM 106 OE2 GLU A 6 -7.642 -8.010 -16.023 1.00 0.00 O ATOM 0 H GLU A 6 -8.591 -9.385 -10.688 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.936 -6.872 -11.852 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.995 -9.719 -12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.879 -8.628 -13.741 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.207 -7.633 -12.964 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.170 -9.134 -13.867 1.00 0.00 H new ATOM 113 N PRO A 7 -11.815 -8.593 -11.693 1.00 0.00 N ATOM 114 CA PRO A 7 -13.276 -8.438 -11.681 1.00 0.00 C ATOM 115 C PRO A 7 -13.745 -7.270 -10.811 1.00 0.00 C ATOM 116 O PRO A 7 -14.665 -6.538 -11.178 1.00 0.00 O ATOM 117 CB PRO A 7 -13.754 -9.765 -11.092 1.00 0.00 C ATOM 118 CG PRO A 7 -12.729 -10.754 -11.521 1.00 0.00 C ATOM 119 CD PRO A 7 -11.419 -10.013 -11.578 1.00 0.00 C ATOM 0 HA PRO A 7 -13.670 -8.217 -12.673 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.826 -9.714 -10.006 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.743 -10.031 -11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.674 -11.586 -10.819 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.979 -11.175 -12.495 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.822 -10.189 -10.684 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.818 -10.330 -12.430 1.00 0.00 H new ATOM 127 N ALA A 8 -13.101 -7.101 -9.661 1.00 0.00 N ATOM 128 CA ALA A 8 -13.446 -6.024 -8.741 1.00 0.00 C ATOM 129 C ALA A 8 -13.145 -4.663 -9.360 1.00 0.00 C ATOM 130 O ALA A 8 -13.899 -3.705 -9.177 1.00 0.00 O ATOM 131 CB ALA A 8 -12.694 -6.187 -7.429 1.00 0.00 C ATOM 0 H ALA A 8 -12.336 -7.697 -9.344 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.516 -6.078 -8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.962 -5.375 -6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.959 -7.141 -6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.621 -6.161 -7.619 1.00 0.00 H new ATOM 137 N GLN A 9 -12.040 -4.584 -10.091 1.00 0.00 N ATOM 138 CA GLN A 9 -11.637 -3.341 -10.738 1.00 0.00 C ATOM 139 C GLN A 9 -12.651 -2.933 -11.802 1.00 0.00 C ATOM 140 O GLN A 9 -12.882 -1.745 -12.030 1.00 0.00 O ATOM 141 CB GLN A 9 -10.250 -3.493 -11.364 1.00 0.00 C ATOM 142 CG GLN A 9 -9.244 -4.177 -10.453 1.00 0.00 C ATOM 143 CD GLN A 9 -7.936 -3.417 -10.345 1.00 0.00 C ATOM 144 OE1 GLN A 9 -7.914 -2.187 -10.396 1.00 0.00 O ATOM 145 NE2 GLN A 9 -6.837 -4.146 -10.194 1.00 0.00 N ATOM 0 H GLN A 9 -11.406 -5.367 -10.251 1.00 0.00 H new ATOM 0 HA GLN A 9 -11.598 -2.559 -9.980 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.338 -4.064 -12.288 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.872 -2.507 -11.634 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.678 -4.288 -9.459 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.045 -5.181 -10.828 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.901 -5.163 -10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.929 -3.689 -10.115 1.00 0.00 H new ATOM 154 N GLU A 10 -13.255 -3.924 -12.448 1.00 0.00 N ATOM 155 CA GLU A 10 -14.247 -3.668 -13.485 1.00 0.00 C ATOM 156 C GLU A 10 -15.561 -3.193 -12.872 1.00 0.00 C ATOM 157 O GLU A 10 -16.297 -2.418 -13.480 1.00 0.00 O ATOM 158 CB GLU A 10 -14.485 -4.934 -14.314 1.00 0.00 C ATOM 159 CG GLU A 10 -15.437 -4.726 -15.482 1.00 0.00 C ATOM 160 CD GLU A 10 -14.714 -4.600 -16.808 1.00 0.00 C ATOM 161 OE1 GLU A 10 -13.857 -3.701 -16.935 1.00 0.00 O ATOM 162 OE2 GLU A 10 -15.004 -5.404 -17.719 1.00 0.00 O ATOM 0 H GLU A 10 -13.075 -4.912 -12.272 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.865 -2.882 -14.136 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.529 -5.294 -14.695 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.884 -5.714 -13.665 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.134 -5.562 -15.531 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.029 -3.827 -15.308 1.00 0.00 H new ATOM 169 N GLU A 11 -15.847 -3.665 -11.662 1.00 0.00 N ATOM 170 CA GLU A 11 -17.072 -3.290 -10.965 1.00 0.00 C ATOM 171 C GLU A 11 -17.044 -1.821 -10.565 1.00 0.00 C ATOM 172 O GLU A 11 -18.031 -1.107 -10.746 1.00 0.00 O ATOM 173 CB GLU A 11 -17.267 -4.169 -9.727 1.00 0.00 C ATOM 174 CG GLU A 11 -18.543 -3.865 -8.954 1.00 0.00 C ATOM 175 CD GLU A 11 -19.723 -4.699 -9.418 1.00 0.00 C ATOM 176 OE1 GLU A 11 -19.608 -5.368 -10.467 1.00 0.00 O ATOM 177 OE2 GLU A 11 -20.765 -4.683 -8.729 1.00 0.00 O ATOM 0 H GLU A 11 -15.247 -4.307 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.910 -3.443 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.279 -5.215 -10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.412 -4.041 -9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.371 -4.045 -7.893 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.786 -2.808 -9.063 1.00 0.00 H new ATOM 184 N HIS A 12 -15.914 -1.362 -10.028 1.00 0.00 N ATOM 185 CA HIS A 12 -15.802 0.034 -9.628 1.00 0.00 C ATOM 186 C HIS A 12 -15.966 0.947 -10.842 1.00 0.00 C ATOM 187 O HIS A 12 -16.574 2.011 -10.755 1.00 0.00 O ATOM 188 CB HIS A 12 -14.462 0.331 -8.929 1.00 0.00 C ATOM 189 CG HIS A 12 -14.360 1.765 -8.507 1.00 0.00 C ATOM 190 ND1 HIS A 12 -14.364 2.206 -7.198 1.00 0.00 N ATOM 191 CD2 HIS A 12 -14.394 2.874 -9.276 1.00 0.00 C ATOM 192 CE1 HIS A 12 -14.423 3.549 -7.223 1.00 0.00 C ATOM 193 NE2 HIS A 12 -14.442 3.993 -8.464 1.00 0.00 N ATOM 0 H HIS A 12 -15.080 -1.926 -9.863 1.00 0.00 H new ATOM 0 HA HIS A 12 -16.600 0.230 -8.912 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.357 -0.313 -8.056 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.640 0.091 -9.603 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -14.329 1.620 -6.364 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.385 2.886 -10.356 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.451 4.178 -6.346 1.00 0.00 H new ATOM 201 N GLU A 13 -15.405 0.535 -11.965 1.00 0.00 N ATOM 202 CA GLU A 13 -15.477 1.325 -13.185 1.00 0.00 C ATOM 203 C GLU A 13 -16.917 1.494 -13.682 1.00 0.00 C ATOM 204 O GLU A 13 -17.174 2.317 -14.562 1.00 0.00 O ATOM 205 CB GLU A 13 -14.624 0.679 -14.280 1.00 0.00 C ATOM 206 CG GLU A 13 -13.182 1.161 -14.290 1.00 0.00 C ATOM 207 CD GLU A 13 -12.897 2.130 -15.421 1.00 0.00 C ATOM 208 OE1 GLU A 13 -13.803 2.915 -15.773 1.00 0.00 O ATOM 209 OE2 GLU A 13 -11.768 2.106 -15.955 1.00 0.00 O ATOM 0 H GLU A 13 -14.894 -0.343 -12.059 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.091 2.317 -12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.636 -0.403 -14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.075 0.887 -15.250 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.958 1.643 -13.339 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.517 0.302 -14.377 1.00 0.00 H new ATOM 216 N LYS A 14 -17.853 0.709 -13.142 1.00 0.00 N ATOM 217 CA LYS A 14 -19.244 0.789 -13.577 1.00 0.00 C ATOM 218 C LYS A 14 -20.176 1.349 -12.487 1.00 0.00 C ATOM 219 O LYS A 14 -21.278 1.805 -12.790 1.00 0.00 O ATOM 220 CB LYS A 14 -19.711 -0.601 -14.062 1.00 0.00 C ATOM 221 CG LYS A 14 -20.320 -1.494 -12.989 1.00 0.00 C ATOM 222 CD LYS A 14 -20.116 -2.966 -13.312 1.00 0.00 C ATOM 223 CE LYS A 14 -21.002 -3.411 -14.463 1.00 0.00 C ATOM 224 NZ LYS A 14 -20.385 -4.518 -15.245 1.00 0.00 N ATOM 0 H LYS A 14 -17.673 0.020 -12.412 1.00 0.00 H new ATOM 0 HA LYS A 14 -19.298 1.496 -14.405 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.445 -0.463 -14.856 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -18.859 -1.119 -14.502 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -19.868 -1.266 -12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -21.386 -1.284 -12.900 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -19.071 -3.142 -13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -20.335 -3.567 -12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -21.967 -3.736 -14.073 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -21.193 -2.564 -15.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.021 -4.792 -16.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.476 -4.200 -15.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -20.226 -5.336 -14.623 1.00 0.00 H new ATOM 238 N TYR A 15 -19.748 1.297 -11.224 1.00 0.00 N ATOM 239 CA TYR A 15 -20.585 1.788 -10.122 1.00 0.00 C ATOM 240 C TYR A 15 -19.817 2.672 -9.126 1.00 0.00 C ATOM 241 O TYR A 15 -20.390 3.107 -8.127 1.00 0.00 O ATOM 242 CB TYR A 15 -21.185 0.607 -9.353 1.00 0.00 C ATOM 243 CG TYR A 15 -22.012 -0.339 -10.194 1.00 0.00 C ATOM 244 CD1 TYR A 15 -23.159 0.096 -10.844 1.00 0.00 C ATOM 245 CD2 TYR A 15 -21.653 -1.679 -10.319 1.00 0.00 C ATOM 246 CE1 TYR A 15 -23.923 -0.773 -11.602 1.00 0.00 C ATOM 247 CE2 TYR A 15 -22.415 -2.553 -11.071 1.00 0.00 C ATOM 248 CZ TYR A 15 -23.548 -2.095 -11.711 1.00 0.00 C ATOM 249 OH TYR A 15 -24.308 -2.963 -12.459 1.00 0.00 O ATOM 0 H TYR A 15 -18.841 0.926 -10.939 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.364 2.397 -10.581 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.375 0.045 -8.888 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -21.808 0.995 -8.547 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -23.460 1.130 -10.756 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -20.766 -2.041 -9.821 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -24.809 -0.417 -12.106 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -22.125 -3.590 -11.157 1.00 0.00 H new ATOM 0 HH TYR A 15 -23.905 -3.856 -12.433 1.00 0.00 H new ATOM 259 N HIS A 16 -18.529 2.915 -9.377 1.00 0.00 N ATOM 260 CA HIS A 16 -17.684 3.718 -8.476 1.00 0.00 C ATOM 261 C HIS A 16 -17.926 3.365 -7.005 1.00 0.00 C ATOM 262 O HIS A 16 -17.816 4.217 -6.123 1.00 0.00 O ATOM 263 CB HIS A 16 -17.894 5.222 -8.687 1.00 0.00 C ATOM 264 CG HIS A 16 -17.452 5.727 -10.032 1.00 0.00 C ATOM 265 ND1 HIS A 16 -16.136 6.043 -10.309 1.00 0.00 N ATOM 266 CD2 HIS A 16 -18.200 5.975 -11.135 1.00 0.00 C ATOM 267 CE1 HIS A 16 -16.119 6.471 -11.557 1.00 0.00 C ATOM 268 NE2 HIS A 16 -17.344 6.449 -12.099 1.00 0.00 N ATOM 0 H HIS A 16 -18.041 2.566 -10.202 1.00 0.00 H new ATOM 0 HA HIS A 16 -16.652 3.474 -8.727 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -18.952 5.451 -8.556 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -17.352 5.765 -7.912 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -19.265 5.828 -11.236 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.230 6.798 -12.076 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -17.594 6.731 -13.047 1.00 0.00 H new ATOM 276 N SER A 17 -18.270 2.103 -6.758 1.00 0.00 N ATOM 277 CA SER A 17 -18.542 1.623 -5.403 1.00 0.00 C ATOM 278 C SER A 17 -17.371 1.892 -4.465 1.00 0.00 C ATOM 279 O SER A 17 -16.261 2.192 -4.906 1.00 0.00 O ATOM 280 CB SER A 17 -18.852 0.126 -5.429 1.00 0.00 C ATOM 281 OG SER A 17 -20.004 -0.146 -6.209 1.00 0.00 O ATOM 0 H SER A 17 -18.368 1.391 -7.481 1.00 0.00 H new ATOM 0 HA SER A 17 -19.407 2.169 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.999 -0.418 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 17 -19.005 -0.234 -4.412 1.00 0.00 H new ATOM 0 HG SER A 17 -20.777 -0.269 -5.619 1.00 0.00 H new ATOM 287 N ASN A 18 -17.629 1.782 -3.165 1.00 0.00 N ATOM 288 CA ASN A 18 -16.607 2.010 -2.151 1.00 0.00 C ATOM 289 C ASN A 18 -15.791 0.742 -1.908 1.00 0.00 C ATOM 290 O ASN A 18 -15.884 -0.222 -2.666 1.00 0.00 O ATOM 291 CB ASN A 18 -17.252 2.474 -0.843 1.00 0.00 C ATOM 292 CG ASN A 18 -18.287 3.562 -1.057 1.00 0.00 C ATOM 293 OD1 ASN A 18 -18.281 4.248 -2.078 1.00 0.00 O ATOM 294 ND2 ASN A 18 -19.183 3.722 -0.092 1.00 0.00 N ATOM 0 H ASN A 18 -18.544 1.535 -2.788 1.00 0.00 H new ATOM 0 HA ASN A 18 -15.936 2.789 -2.514 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -17.722 1.622 -0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.477 2.842 -0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -19.905 4.437 -0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -19.150 3.130 0.738 1.00 0.00 H new ATOM 301 N VAL A 19 -14.994 0.753 -0.843 1.00 0.00 N ATOM 302 CA VAL A 19 -14.163 -0.395 -0.499 1.00 0.00 C ATOM 303 C VAL A 19 -15.000 -1.515 0.108 1.00 0.00 C ATOM 304 O VAL A 19 -14.958 -2.655 -0.355 1.00 0.00 O ATOM 305 CB VAL A 19 -13.051 -0.004 0.495 1.00 0.00 C ATOM 306 CG1 VAL A 19 -12.100 -1.169 0.728 1.00 0.00 C ATOM 307 CG2 VAL A 19 -12.296 1.215 -0.007 1.00 0.00 C ATOM 0 H VAL A 19 -14.907 1.544 -0.204 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.707 -0.746 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.516 0.247 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.324 -0.870 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.654 -2.015 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.640 -1.458 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.515 1.478 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.845 0.991 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.986 2.052 -0.114 1.00 0.00 H new ATOM 317 N LYS A 20 -15.756 -1.184 1.151 1.00 0.00 N ATOM 318 CA LYS A 20 -16.600 -2.162 1.830 1.00 0.00 C ATOM 319 C LYS A 20 -17.551 -2.846 0.851 1.00 0.00 C ATOM 320 O LYS A 20 -17.894 -4.016 1.019 1.00 0.00 O ATOM 321 CB LYS A 20 -17.400 -1.484 2.945 1.00 0.00 C ATOM 322 CG LYS A 20 -18.129 -2.461 3.850 1.00 0.00 C ATOM 323 CD LYS A 20 -19.523 -2.768 3.331 1.00 0.00 C ATOM 324 CE LYS A 20 -20.527 -2.886 4.466 1.00 0.00 C ATOM 325 NZ LYS A 20 -21.925 -2.698 3.992 1.00 0.00 N ATOM 0 H LYS A 20 -15.801 -0.244 1.545 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.951 -2.923 2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.724 -0.877 3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.126 -0.804 2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.556 -3.385 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.197 -2.045 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.838 -1.982 2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.504 -3.698 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.431 -3.865 4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.300 -2.143 5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.579 -2.786 4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.024 -1.754 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.151 -3.423 3.281 1.00 0.00 H new ATOM 339 N GLU A 21 -17.966 -2.110 -0.174 1.00 0.00 N ATOM 340 CA GLU A 21 -18.871 -2.648 -1.182 1.00 0.00 C ATOM 341 C GLU A 21 -18.171 -3.715 -2.016 1.00 0.00 C ATOM 342 O GLU A 21 -18.693 -4.814 -2.205 1.00 0.00 O ATOM 343 CB GLU A 21 -19.385 -1.530 -2.088 1.00 0.00 C ATOM 344 CG GLU A 21 -20.476 -1.980 -3.049 1.00 0.00 C ATOM 345 CD GLU A 21 -21.708 -1.095 -2.994 1.00 0.00 C ATOM 346 OE1 GLU A 21 -22.380 -1.077 -1.941 1.00 0.00 O ATOM 347 OE2 GLU A 21 -22.000 -0.422 -4.004 1.00 0.00 O ATOM 0 H GLU A 21 -17.690 -1.140 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.719 -3.105 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -19.769 -0.719 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.551 -1.126 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.081 -1.983 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.760 -3.006 -2.815 1.00 0.00 H new ATOM 354 N LEU A 22 -16.980 -3.387 -2.508 1.00 0.00 N ATOM 355 CA LEU A 22 -16.204 -4.321 -3.315 1.00 0.00 C ATOM 356 C LEU A 22 -15.752 -5.504 -2.469 1.00 0.00 C ATOM 357 O LEU A 22 -15.816 -6.654 -2.905 1.00 0.00 O ATOM 358 CB LEU A 22 -14.986 -3.622 -3.918 1.00 0.00 C ATOM 359 CG LEU A 22 -15.304 -2.523 -4.935 1.00 0.00 C ATOM 360 CD1 LEU A 22 -14.061 -1.699 -5.232 1.00 0.00 C ATOM 361 CD2 LEU A 22 -15.861 -3.129 -6.215 1.00 0.00 C ATOM 0 H LEU A 22 -16.532 -2.482 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 22 -16.839 -4.684 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.399 -3.188 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.359 -4.371 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 22 -16.060 -1.864 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -14.304 -0.922 -5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.702 -1.238 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.285 -2.346 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.082 -2.334 -6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.126 -3.809 -6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -16.775 -3.679 -5.990 1.00 0.00 H new ATOM 373 N SER A 23 -15.296 -5.212 -1.255 1.00 0.00 N ATOM 374 CA SER A 23 -14.832 -6.247 -0.341 1.00 0.00 C ATOM 375 C SER A 23 -15.967 -7.195 0.035 1.00 0.00 C ATOM 376 O SER A 23 -15.755 -8.394 0.199 1.00 0.00 O ATOM 377 CB SER A 23 -14.241 -5.612 0.920 1.00 0.00 C ATOM 378 OG SER A 23 -13.217 -4.688 0.594 1.00 0.00 O ATOM 0 H SER A 23 -15.238 -4.264 -0.882 1.00 0.00 H new ATOM 0 HA SER A 23 -14.058 -6.824 -0.848 1.00 0.00 H new ATOM 0 HB2 SER A 23 -15.028 -5.105 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.840 -6.390 1.569 1.00 0.00 H new ATOM 0 HG SER A 23 -13.617 -3.872 0.229 1.00 0.00 H new ATOM 384 N HIS A 24 -17.171 -6.649 0.175 1.00 0.00 N ATOM 385 CA HIS A 24 -18.336 -7.451 0.537 1.00 0.00 C ATOM 386 C HIS A 24 -18.906 -8.180 -0.682 1.00 0.00 C ATOM 387 O HIS A 24 -19.494 -9.251 -0.551 1.00 0.00 O ATOM 388 CB HIS A 24 -19.408 -6.555 1.170 1.00 0.00 C ATOM 389 CG HIS A 24 -20.677 -7.275 1.523 1.00 0.00 C ATOM 390 ND1 HIS A 24 -20.704 -8.253 2.487 1.00 0.00 N ATOM 391 CD2 HIS A 24 -21.924 -7.120 1.014 1.00 0.00 C ATOM 392 CE1 HIS A 24 -21.956 -8.670 2.545 1.00 0.00 C ATOM 393 NE2 HIS A 24 -22.732 -8.014 1.669 1.00 0.00 N ATOM 0 H HIS A 24 -17.366 -5.656 0.044 1.00 0.00 H new ATOM 0 HA HIS A 24 -18.023 -8.204 1.261 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.999 -6.098 2.071 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -19.643 -5.744 0.480 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -22.223 -6.427 0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -22.310 -9.441 3.213 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -23.731 -8.153 1.519 1.00 0.00 H new ATOM 401 N LYS A 25 -18.745 -7.582 -1.857 1.00 0.00 N ATOM 402 CA LYS A 25 -19.263 -8.168 -3.088 1.00 0.00 C ATOM 403 C LYS A 25 -18.352 -9.269 -3.630 1.00 0.00 C ATOM 404 O LYS A 25 -18.831 -10.295 -4.112 1.00 0.00 O ATOM 405 CB LYS A 25 -19.450 -7.084 -4.151 1.00 0.00 C ATOM 406 CG LYS A 25 -20.501 -7.428 -5.194 1.00 0.00 C ATOM 407 CD LYS A 25 -19.923 -8.293 -6.304 1.00 0.00 C ATOM 408 CE LYS A 25 -20.791 -8.243 -7.551 1.00 0.00 C ATOM 409 NZ LYS A 25 -20.836 -9.559 -8.248 1.00 0.00 N ATOM 0 H LYS A 25 -18.261 -6.693 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.225 -8.621 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.728 -6.151 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.497 -6.910 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.330 -7.951 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.906 -6.510 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.916 -7.954 -6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.838 -9.323 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.802 -7.942 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.405 -7.484 -8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.438 -9.484 -9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -19.874 -9.835 -8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.228 -10.278 -7.607 1.00 0.00 H new ATOM 423 N PHE A 26 -17.043 -9.047 -3.572 1.00 0.00 N ATOM 424 CA PHE A 26 -16.086 -10.025 -4.085 1.00 0.00 C ATOM 425 C PHE A 26 -15.398 -10.798 -2.964 1.00 0.00 C ATOM 426 O PHE A 26 -15.015 -11.953 -3.147 1.00 0.00 O ATOM 427 CB PHE A 26 -15.045 -9.327 -4.961 1.00 0.00 C ATOM 428 CG PHE A 26 -15.636 -8.693 -6.188 1.00 0.00 C ATOM 429 CD1 PHE A 26 -15.753 -9.410 -7.367 1.00 0.00 C ATOM 430 CD2 PHE A 26 -16.079 -7.379 -6.158 1.00 0.00 C ATOM 431 CE1 PHE A 26 -16.304 -8.831 -8.496 1.00 0.00 C ATOM 432 CE2 PHE A 26 -16.629 -6.793 -7.284 1.00 0.00 C ATOM 433 CZ PHE A 26 -16.741 -7.520 -8.453 1.00 0.00 C ATOM 0 H PHE A 26 -16.621 -8.206 -3.178 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.642 -10.747 -4.683 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.538 -8.562 -4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.288 -10.051 -5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.410 -10.433 -7.405 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.994 -6.807 -5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.393 -9.402 -9.409 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.970 -5.769 -7.249 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.170 -7.064 -9.333 1.00 0.00 H new ATOM 443 N GLY A 27 -15.238 -10.164 -1.807 1.00 0.00 N ATOM 444 CA GLY A 27 -14.591 -10.827 -0.687 1.00 0.00 C ATOM 445 C GLY A 27 -13.099 -10.559 -0.637 1.00 0.00 C ATOM 446 O GLY A 27 -12.319 -11.438 -0.269 1.00 0.00 O ATOM 0 H GLY A 27 -15.543 -9.208 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.049 -10.491 0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.762 -11.901 -0.757 1.00 0.00 H new ATOM 450 N ILE A 28 -12.701 -9.346 -1.007 1.00 0.00 N ATOM 451 CA ILE A 28 -11.290 -8.971 -1.002 1.00 0.00 C ATOM 452 C ILE A 28 -10.962 -8.068 0.187 1.00 0.00 C ATOM 453 O ILE A 28 -11.782 -7.242 0.589 1.00 0.00 O ATOM 454 CB ILE A 28 -10.891 -8.248 -2.304 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.926 -7.179 -2.666 1.00 0.00 C ATOM 456 CG2 ILE A 28 -10.736 -9.247 -3.439 1.00 0.00 C ATOM 457 CD1 ILE A 28 -11.435 -6.189 -3.701 1.00 0.00 C ATOM 0 H ILE A 28 -13.333 -8.607 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.721 -9.897 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.932 -7.755 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.826 -7.668 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.209 -6.638 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.454 -8.721 -4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.962 -9.971 -3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.681 -9.767 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.219 -5.461 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.553 -5.673 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.179 -6.719 -4.619 1.00 0.00 H new ATOM 469 N PRO A 29 -9.750 -8.203 0.771 1.00 0.00 N ATOM 470 CA PRO A 29 -9.334 -7.383 1.915 1.00 0.00 C ATOM 471 C PRO A 29 -9.541 -5.893 1.662 1.00 0.00 C ATOM 472 O PRO A 29 -9.543 -5.443 0.516 1.00 0.00 O ATOM 473 CB PRO A 29 -7.842 -7.699 2.056 1.00 0.00 C ATOM 474 CG PRO A 29 -7.686 -9.061 1.477 1.00 0.00 C ATOM 475 CD PRO A 29 -8.694 -9.157 0.365 1.00 0.00 C ATOM 0 HA PRO A 29 -9.916 -7.605 2.810 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.231 -6.970 1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.529 -7.675 3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.674 -9.211 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.863 -9.828 2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.257 -8.887 -0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -9.085 -10.169 0.264 1.00 0.00 H new ATOM 483 N ASN A 30 -9.716 -5.130 2.739 1.00 0.00 N ATOM 484 CA ASN A 30 -9.926 -3.688 2.629 1.00 0.00 C ATOM 485 C ASN A 30 -8.774 -3.022 1.886 1.00 0.00 C ATOM 486 O ASN A 30 -8.963 -2.026 1.189 1.00 0.00 O ATOM 487 CB ASN A 30 -10.077 -3.067 4.020 1.00 0.00 C ATOM 488 CG ASN A 30 -11.451 -3.308 4.617 1.00 0.00 C ATOM 489 OD1 ASN A 30 -11.841 -4.451 4.859 1.00 0.00 O ATOM 490 ND2 ASN A 30 -12.188 -2.231 4.860 1.00 0.00 N ATOM 0 H ASN A 30 -9.717 -5.485 3.695 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.842 -3.523 2.061 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.318 -3.481 4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.895 -1.994 3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.119 -2.331 5.264 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.823 -1.304 4.643 1.00 0.00 H new ATOM 497 N LEU A 31 -7.578 -3.583 2.035 1.00 0.00 N ATOM 498 CA LEU A 31 -6.399 -3.046 1.373 1.00 0.00 C ATOM 499 C LEU A 31 -6.565 -3.099 -0.143 1.00 0.00 C ATOM 500 O LEU A 31 -6.437 -2.084 -0.825 1.00 0.00 O ATOM 501 CB LEU A 31 -5.152 -3.831 1.789 1.00 0.00 C ATOM 502 CG LEU A 31 -3.853 -3.393 1.110 1.00 0.00 C ATOM 503 CD1 LEU A 31 -3.355 -2.084 1.704 1.00 0.00 C ATOM 504 CD2 LEU A 31 -2.793 -4.477 1.243 1.00 0.00 C ATOM 0 H LEU A 31 -7.402 -4.408 2.608 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.280 -2.006 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.028 -3.741 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.318 -4.887 1.574 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.054 -3.234 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.430 -1.788 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.108 -1.309 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.170 -2.215 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.875 -4.150 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.596 -4.665 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.148 -5.393 0.771 1.00 0.00 H new ATOM 516 N VAL A 32 -6.852 -4.291 -0.657 1.00 0.00 N ATOM 517 CA VAL A 32 -7.038 -4.488 -2.092 1.00 0.00 C ATOM 518 C VAL A 32 -8.130 -3.579 -2.646 1.00 0.00 C ATOM 519 O VAL A 32 -7.922 -2.881 -3.639 1.00 0.00 O ATOM 520 CB VAL A 32 -7.396 -5.951 -2.418 1.00 0.00 C ATOM 521 CG1 VAL A 32 -7.358 -6.189 -3.918 1.00 0.00 C ATOM 522 CG2 VAL A 32 -6.455 -6.905 -1.694 1.00 0.00 C ATOM 0 H VAL A 32 -6.961 -5.138 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.088 -4.235 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.411 -6.144 -2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.614 -7.228 -4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.076 -5.532 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.357 -5.978 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.723 -7.934 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.429 -6.713 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.539 -6.752 -0.618 1.00 0.00 H new ATOM 532 N ALA A 33 -9.293 -3.586 -2.001 1.00 0.00 N ATOM 533 CA ALA A 33 -10.407 -2.757 -2.441 1.00 0.00 C ATOM 534 C ALA A 33 -10.027 -1.281 -2.407 1.00 0.00 C ATOM 535 O ALA A 33 -10.488 -0.492 -3.231 1.00 0.00 O ATOM 536 CB ALA A 33 -11.634 -3.010 -1.580 1.00 0.00 C ATOM 0 H ALA A 33 -9.487 -4.154 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.646 -3.026 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.456 -2.382 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.922 -4.058 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.405 -2.772 -0.541 1.00 0.00 H new ATOM 542 N ARG A 34 -9.179 -0.915 -1.450 1.00 0.00 N ATOM 543 CA ARG A 34 -8.732 0.465 -1.318 1.00 0.00 C ATOM 544 C ARG A 34 -7.920 0.879 -2.540 1.00 0.00 C ATOM 545 O ARG A 34 -8.013 2.015 -3.002 1.00 0.00 O ATOM 546 CB ARG A 34 -7.900 0.641 -0.047 1.00 0.00 C ATOM 547 CG ARG A 34 -8.728 1.025 1.168 1.00 0.00 C ATOM 548 CD ARG A 34 -7.852 1.277 2.385 1.00 0.00 C ATOM 549 NE ARG A 34 -7.630 2.704 2.615 1.00 0.00 N ATOM 550 CZ ARG A 34 -6.946 3.196 3.646 1.00 0.00 C ATOM 551 NH1 ARG A 34 -6.407 2.386 4.551 1.00 0.00 N ATOM 552 NH2 ARG A 34 -6.799 4.507 3.774 1.00 0.00 N ATOM 0 H ARG A 34 -8.789 -1.554 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.611 1.105 -1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.370 -0.288 0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.144 1.407 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.309 1.920 0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.440 0.230 1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.320 0.836 3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.892 0.778 2.250 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.024 3.364 1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.515 1.376 4.460 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.885 2.774 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.209 5.136 3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.276 4.887 4.563 1.00 0.00 H new ATOM 566 N GLN A 35 -7.135 -0.056 -3.065 1.00 0.00 N ATOM 567 CA GLN A 35 -6.322 0.210 -4.244 1.00 0.00 C ATOM 568 C GLN A 35 -7.209 0.440 -5.467 1.00 0.00 C ATOM 569 O GLN A 35 -6.811 1.125 -6.410 1.00 0.00 O ATOM 570 CB GLN A 35 -5.356 -0.951 -4.511 1.00 0.00 C ATOM 571 CG GLN A 35 -4.505 -1.348 -3.310 1.00 0.00 C ATOM 572 CD GLN A 35 -3.854 -0.164 -2.615 1.00 0.00 C ATOM 573 OE1 GLN A 35 -3.720 0.914 -3.192 1.00 0.00 O ATOM 574 NE2 GLN A 35 -3.442 -0.365 -1.369 1.00 0.00 N ATOM 0 H GLN A 35 -7.045 -1.002 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.740 1.112 -4.055 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.930 -1.818 -4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.696 -0.677 -5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.128 -1.883 -2.593 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.729 -2.040 -3.637 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.573 -1.276 -0.929 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.994 0.391 -0.852 1.00 0.00 H new ATOM 583 N ILE A 36 -8.413 -0.127 -5.442 1.00 0.00 N ATOM 584 CA ILE A 36 -9.352 0.027 -6.545 1.00 0.00 C ATOM 585 C ILE A 36 -9.800 1.479 -6.665 1.00 0.00 C ATOM 586 O ILE A 36 -9.668 2.096 -7.723 1.00 0.00 O ATOM 587 CB ILE A 36 -10.592 -0.874 -6.364 1.00 0.00 C ATOM 588 CG1 ILE A 36 -10.166 -2.321 -6.107 1.00 0.00 C ATOM 589 CG2 ILE A 36 -11.497 -0.791 -7.586 1.00 0.00 C ATOM 590 CD1 ILE A 36 -9.473 -2.972 -7.282 1.00 0.00 C ATOM 0 H ILE A 36 -8.759 -0.696 -4.670 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.834 -0.274 -7.456 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.153 -0.520 -5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.499 -2.346 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.047 -2.908 -5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.366 -1.433 -7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.826 0.239 -7.726 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.948 -1.119 -8.468 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.202 -3.995 -7.023 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.144 -2.981 -8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.573 -2.410 -7.531 1.00 0.00 H new ATOM 602 N VAL A 37 -10.323 2.022 -5.571 1.00 0.00 N ATOM 603 CA VAL A 37 -10.782 3.405 -5.550 1.00 0.00 C ATOM 604 C VAL A 37 -9.617 4.359 -5.780 1.00 0.00 C ATOM 605 O VAL A 37 -9.751 5.363 -6.479 1.00 0.00 O ATOM 606 CB VAL A 37 -11.462 3.748 -4.209 1.00 0.00 C ATOM 607 CG1 VAL A 37 -12.052 5.150 -4.247 1.00 0.00 C ATOM 608 CG2 VAL A 37 -12.531 2.721 -3.875 1.00 0.00 C ATOM 0 H VAL A 37 -10.439 1.525 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.510 3.519 -6.353 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.706 3.721 -3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.527 5.371 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.259 5.874 -4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.794 5.211 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.000 2.979 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.285 2.712 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.076 1.734 -3.798 1.00 0.00 H new ATOM 618 N ASN A 38 -8.472 4.033 -5.190 1.00 0.00 N ATOM 619 CA ASN A 38 -7.278 4.856 -5.328 1.00 0.00 C ATOM 620 C ASN A 38 -6.858 4.955 -6.790 1.00 0.00 C ATOM 621 O ASN A 38 -6.304 5.967 -7.219 1.00 0.00 O ATOM 622 CB ASN A 38 -6.134 4.274 -4.494 1.00 0.00 C ATOM 623 CG ASN A 38 -6.094 4.845 -3.091 1.00 0.00 C ATOM 624 OD1 ASN A 38 -5.684 5.987 -2.884 1.00 0.00 O ATOM 625 ND2 ASN A 38 -6.517 4.049 -2.117 1.00 0.00 N ATOM 0 H ASN A 38 -8.346 3.203 -4.611 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.509 5.857 -4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.242 3.191 -4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.186 4.475 -4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.510 4.377 -1.151 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.849 3.109 -2.334 1.00 0.00 H new ATOM 632 N SER A 39 -7.125 3.898 -7.554 1.00 0.00 N ATOM 633 CA SER A 39 -6.772 3.874 -8.968 1.00 0.00 C ATOM 634 C SER A 39 -7.696 4.783 -9.773 1.00 0.00 C ATOM 635 O SER A 39 -7.285 5.372 -10.772 1.00 0.00 O ATOM 636 CB SER A 39 -6.845 2.446 -9.509 1.00 0.00 C ATOM 637 OG SER A 39 -6.677 2.423 -10.916 1.00 0.00 O ATOM 0 H SER A 39 -7.583 3.051 -7.218 1.00 0.00 H new ATOM 0 HA SER A 39 -5.751 4.241 -9.069 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.074 1.836 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.806 2.004 -9.247 1.00 0.00 H new ATOM 0 HG SER A 39 -6.726 1.498 -11.236 1.00 0.00 H new ATOM 643 N CYS A 40 -8.945 4.890 -9.332 1.00 0.00 N ATOM 644 CA CYS A 40 -9.928 5.727 -10.010 1.00 0.00 C ATOM 645 C CYS A 40 -9.567 7.205 -9.881 1.00 0.00 C ATOM 646 O CYS A 40 -9.328 7.703 -8.782 1.00 0.00 O ATOM 647 CB CYS A 40 -11.323 5.478 -9.433 1.00 0.00 C ATOM 648 SG CYS A 40 -12.637 6.415 -10.248 1.00 0.00 S ATOM 0 H CYS A 40 -9.301 4.407 -8.507 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.927 5.463 -11.068 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -11.550 4.415 -9.507 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -11.316 5.730 -8.372 1.00 0.00 H new ATOM 653 N ALA A 41 -9.528 7.899 -11.015 1.00 0.00 N ATOM 654 CA ALA A 41 -9.194 9.318 -11.030 1.00 0.00 C ATOM 655 C ALA A 41 -10.397 10.175 -10.647 1.00 0.00 C ATOM 656 O ALA A 41 -10.280 11.109 -9.853 1.00 0.00 O ATOM 657 CB ALA A 41 -8.671 9.721 -12.402 1.00 0.00 C ATOM 0 H ALA A 41 -9.723 7.502 -11.934 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.413 9.488 -10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.425 10.783 -12.400 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.777 9.142 -12.635 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.436 9.527 -13.154 1.00 0.00 H new ATOM 663 N GLN A 42 -11.554 9.852 -11.217 1.00 0.00 N ATOM 664 CA GLN A 42 -12.782 10.594 -10.938 1.00 0.00 C ATOM 665 C GLN A 42 -13.110 10.579 -9.446 1.00 0.00 C ATOM 666 O GLN A 42 -13.740 11.502 -8.931 1.00 0.00 O ATOM 667 CB GLN A 42 -13.950 10.005 -11.732 1.00 0.00 C ATOM 668 CG GLN A 42 -14.102 10.599 -13.122 1.00 0.00 C ATOM 669 CD GLN A 42 -12.954 10.236 -14.041 1.00 0.00 C ATOM 670 OE1 GLN A 42 -11.830 10.705 -13.868 1.00 0.00 O ATOM 671 NE2 GLN A 42 -13.231 9.398 -15.033 1.00 0.00 N ATOM 0 H GLN A 42 -11.668 9.081 -11.875 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.624 11.628 -11.244 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -13.812 8.927 -11.820 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -14.874 10.164 -11.175 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -15.037 10.252 -13.561 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.170 11.684 -13.044 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.177 9.031 -15.142 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.498 9.121 -15.686 1.00 0.00 H new ATOM 680 N CYS A 43 -12.680 9.528 -8.756 1.00 0.00 N ATOM 681 CA CYS A 43 -12.928 9.399 -7.324 1.00 0.00 C ATOM 682 C CYS A 43 -11.780 9.991 -6.511 1.00 0.00 C ATOM 683 O CYS A 43 -11.980 10.472 -5.397 1.00 0.00 O ATOM 684 CB CYS A 43 -13.133 7.928 -6.948 1.00 0.00 C ATOM 685 SG CYS A 43 -14.796 7.301 -7.291 1.00 0.00 S ATOM 0 H CYS A 43 -12.158 8.753 -9.165 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.835 9.956 -7.090 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -12.409 7.321 -7.491 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.921 7.803 -5.886 1.00 0.00 H new ATOM 690 N GLN A 44 -10.577 9.957 -7.078 1.00 0.00 N ATOM 691 CA GLN A 44 -9.399 10.496 -6.405 1.00 0.00 C ATOM 692 C GLN A 44 -9.487 12.015 -6.293 1.00 0.00 C ATOM 693 O GLN A 44 -9.302 12.581 -5.215 1.00 0.00 O ATOM 694 CB GLN A 44 -8.127 10.095 -7.157 1.00 0.00 C ATOM 695 CG GLN A 44 -7.401 8.911 -6.536 1.00 0.00 C ATOM 696 CD GLN A 44 -5.965 8.795 -7.012 1.00 0.00 C ATOM 697 OE1 GLN A 44 -5.032 8.807 -6.210 1.00 0.00 O ATOM 698 NE2 GLN A 44 -5.783 8.682 -8.322 1.00 0.00 N ATOM 0 H GLN A 44 -10.392 9.563 -8.000 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.360 10.079 -5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.385 9.852 -8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.450 10.949 -7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.414 9.010 -5.451 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.936 7.993 -6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.587 8.677 -8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.839 8.601 -8.701 1.00 0.00 H new ATOM 707 N GLN A 45 -9.772 12.670 -7.414 1.00 0.00 N ATOM 708 CA GLN A 45 -9.883 14.124 -7.445 1.00 0.00 C ATOM 709 C GLN A 45 -10.990 14.605 -6.510 1.00 0.00 C ATOM 710 O GLN A 45 -12.107 14.086 -6.536 1.00 0.00 O ATOM 711 CB GLN A 45 -10.159 14.607 -8.870 1.00 0.00 C ATOM 712 CG GLN A 45 -9.007 14.359 -9.829 1.00 0.00 C ATOM 713 CD GLN A 45 -8.218 15.619 -10.132 1.00 0.00 C ATOM 714 OE1 GLN A 45 -8.023 16.466 -9.262 1.00 0.00 O ATOM 715 NE2 GLN A 45 -7.758 15.746 -11.373 1.00 0.00 N ATOM 0 H GLN A 45 -9.930 12.216 -8.314 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.936 14.542 -7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.050 14.106 -9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.379 15.674 -8.847 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.339 13.610 -9.403 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.396 13.946 -10.760 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.944 15.018 -12.063 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.219 16.571 -11.635 1.00 0.00 H new ATOM 724 N LYS A 46 -10.672 15.598 -5.688 1.00 0.00 N ATOM 725 CA LYS A 46 -11.640 16.152 -4.745 1.00 0.00 C ATOM 726 C LYS A 46 -11.981 17.595 -5.099 1.00 0.00 C ATOM 727 O LYS A 46 -11.381 18.126 -6.057 1.00 0.00 O ATOM 728 CB LYS A 46 -11.090 16.082 -3.318 1.00 0.00 C ATOM 729 CG LYS A 46 -10.972 14.665 -2.780 1.00 0.00 C ATOM 730 CD LYS A 46 -12.278 14.193 -2.160 1.00 0.00 C ATOM 731 CE LYS A 46 -12.040 13.091 -1.139 1.00 0.00 C ATOM 732 NZ LYS A 46 -13.067 13.103 -0.059 1.00 0.00 N ATOM 733 OXT LYS A 46 -12.848 18.182 -4.416 1.00 0.00 O ATOM 0 H LYS A 46 -9.752 16.037 -5.654 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.551 15.557 -4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.108 16.554 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.739 16.659 -2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.687 13.991 -3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.178 14.623 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.780 15.033 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.944 13.829 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.051 12.123 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.050 13.211 -0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.870 12.337 0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.039 14.017 0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.010 12.963 -0.475 1.00 0.00 H new TER 747 LYS A 46 ATOM 748 N PHE B 1 -2.317 -13.501 0.757 1.00 0.00 N ATOM 749 CA PHE B 1 -2.182 -12.147 0.161 1.00 0.00 C ATOM 750 C PHE B 1 -1.187 -11.298 0.942 1.00 0.00 C ATOM 751 O PHE B 1 -0.253 -10.735 0.371 1.00 0.00 O ATOM 752 CB PHE B 1 -3.556 -11.474 0.155 1.00 0.00 C ATOM 753 CG PHE B 1 -3.609 -10.235 -0.691 1.00 0.00 C ATOM 754 CD1 PHE B 1 -3.185 -9.017 -0.186 1.00 0.00 C ATOM 755 CD2 PHE B 1 -4.082 -10.289 -1.994 1.00 0.00 C ATOM 756 CE1 PHE B 1 -3.231 -7.875 -0.961 1.00 0.00 C ATOM 757 CE2 PHE B 1 -4.130 -9.150 -2.774 1.00 0.00 C ATOM 758 CZ PHE B 1 -3.704 -7.942 -2.258 1.00 0.00 C ATOM 0 H1 PHE B 1 -3.001 -14.057 0.205 1.00 0.00 H new ATOM 0 H2 PHE B 1 -1.393 -13.979 0.746 1.00 0.00 H new ATOM 0 H3 PHE B 1 -2.652 -13.417 1.738 1.00 0.00 H new ATOM 0 HA PHE B 1 -1.806 -12.243 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -4.299 -12.185 -0.207 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -3.832 -11.219 1.178 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -2.814 -8.960 0.827 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -4.416 -11.231 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -2.898 -6.931 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -4.501 -9.204 -3.787 1.00 0.00 H new ATOM 0 HZ PHE B 1 -3.740 -7.051 -2.867 1.00 0.00 H new ATOM 770 N LEU B 2 -1.390 -11.209 2.253 1.00 0.00 N ATOM 771 CA LEU B 2 -0.507 -10.426 3.113 1.00 0.00 C ATOM 772 C LEU B 2 0.683 -11.250 3.617 1.00 0.00 C ATOM 773 O LEU B 2 1.372 -10.840 4.551 1.00 0.00 O ATOM 774 CB LEU B 2 -1.287 -9.871 4.302 1.00 0.00 C ATOM 775 CG LEU B 2 -2.507 -9.023 3.937 1.00 0.00 C ATOM 776 CD1 LEU B 2 -3.430 -8.873 5.137 1.00 0.00 C ATOM 777 CD2 LEU B 2 -2.070 -7.660 3.424 1.00 0.00 C ATOM 0 H LEU B 2 -2.157 -11.669 2.743 1.00 0.00 H new ATOM 0 HA LEU B 2 -0.115 -9.605 2.513 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -1.616 -10.705 4.923 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -0.613 -9.268 4.910 1.00 0.00 H new ATOM 0 HG LEU B 2 -3.057 -9.530 3.144 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -4.292 -8.267 4.859 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -3.768 -9.857 5.462 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -2.892 -8.387 5.951 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -2.949 -7.068 3.168 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -1.499 -7.146 4.197 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -1.448 -7.787 2.538 1.00 0.00 H new ATOM 789 N GLU B 3 0.926 -12.409 3.005 1.00 0.00 N ATOM 790 CA GLU B 3 2.034 -13.265 3.410 1.00 0.00 C ATOM 791 C GLU B 3 3.346 -12.785 2.796 1.00 0.00 C ATOM 792 O GLU B 3 4.299 -12.475 3.511 1.00 0.00 O ATOM 793 CB GLU B 3 1.762 -14.714 2.996 1.00 0.00 C ATOM 794 CG GLU B 3 0.787 -15.437 3.915 1.00 0.00 C ATOM 795 CD GLU B 3 1.389 -16.673 4.554 1.00 0.00 C ATOM 796 OE1 GLU B 3 2.249 -16.523 5.447 1.00 0.00 O ATOM 797 OE2 GLU B 3 1.000 -17.795 4.161 1.00 0.00 O ATOM 0 H GLU B 3 0.371 -12.773 2.230 1.00 0.00 H new ATOM 0 HA GLU B 3 2.123 -13.214 4.495 1.00 0.00 H new ATOM 0 HB2 GLU B 3 1.367 -14.725 1.980 1.00 0.00 H new ATOM 0 HB3 GLU B 3 2.705 -15.261 2.977 1.00 0.00 H new ATOM 0 HG2 GLU B 3 0.457 -14.753 4.697 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -0.098 -15.722 3.346 1.00 0.00 H new ATOM 804 N LYS B 4 3.390 -12.729 1.470 1.00 0.00 N ATOM 805 CA LYS B 4 4.587 -12.290 0.759 1.00 0.00 C ATOM 806 C LYS B 4 4.577 -10.779 0.519 1.00 0.00 C ATOM 807 O LYS B 4 5.631 -10.169 0.342 1.00 0.00 O ATOM 808 CB LYS B 4 4.708 -13.026 -0.577 1.00 0.00 C ATOM 809 CG LYS B 4 4.629 -14.539 -0.447 1.00 0.00 C ATOM 810 CD LYS B 4 5.962 -15.129 -0.015 1.00 0.00 C ATOM 811 CE LYS B 4 5.894 -16.645 0.081 1.00 0.00 C ATOM 812 NZ LYS B 4 7.044 -17.204 0.845 1.00 0.00 N ATOM 0 H LYS B 4 2.610 -12.982 0.864 1.00 0.00 H new ATOM 0 HA LYS B 4 5.448 -12.527 1.384 1.00 0.00 H new ATOM 0 HB2 LYS B 4 3.916 -12.685 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS B 4 5.655 -12.759 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS B 4 3.860 -14.804 0.279 1.00 0.00 H new ATOM 0 HG3 LYS B 4 4.330 -14.973 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS B 4 6.736 -14.843 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.249 -14.714 0.951 1.00 0.00 H new ATOM 0 HE2 LYS B 4 4.961 -16.937 0.563 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.882 -17.072 -0.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 6.961 -18.240 0.888 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 7.933 -16.947 0.371 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 7.041 -16.816 1.810 1.00 0.00 H new ATOM 826 N ILE B 5 3.388 -10.182 0.511 1.00 0.00 N ATOM 827 CA ILE B 5 3.259 -8.745 0.290 1.00 0.00 C ATOM 828 C ILE B 5 3.735 -7.951 1.506 1.00 0.00 C ATOM 829 O ILE B 5 4.306 -6.868 1.366 1.00 0.00 O ATOM 830 CB ILE B 5 1.801 -8.362 -0.042 1.00 0.00 C ATOM 831 CG1 ILE B 5 1.315 -9.153 -1.259 1.00 0.00 C ATOM 832 CG2 ILE B 5 1.674 -6.864 -0.296 1.00 0.00 C ATOM 833 CD1 ILE B 5 -0.121 -8.867 -1.633 1.00 0.00 C ATOM 0 H ILE B 5 2.503 -10.669 0.654 1.00 0.00 H new ATOM 0 HA ILE B 5 3.892 -8.493 -0.561 1.00 0.00 H new ATOM 0 HB ILE B 5 1.176 -8.612 0.816 1.00 0.00 H new ATOM 0 HG12 ILE B 5 1.956 -8.924 -2.110 1.00 0.00 H new ATOM 0 HG13 ILE B 5 1.423 -10.218 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE B 5 0.637 -6.621 -0.528 1.00 0.00 H new ATOM 0 HG22 ILE B 5 1.985 -6.316 0.594 1.00 0.00 H new ATOM 0 HG23 ILE B 5 2.309 -6.582 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE B 5 -0.396 -9.463 -2.503 1.00 0.00 H new ATOM 0 HD12 ILE B 5 -0.773 -9.123 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE B 5 -0.232 -7.808 -1.868 1.00 0.00 H new ATOM 845 N GLU B 6 3.496 -8.489 2.700 1.00 0.00 N ATOM 846 CA GLU B 6 3.901 -7.820 3.934 1.00 0.00 C ATOM 847 C GLU B 6 5.410 -7.545 3.939 1.00 0.00 C ATOM 848 O GLU B 6 5.831 -6.391 4.024 1.00 0.00 O ATOM 849 CB GLU B 6 3.511 -8.664 5.150 1.00 0.00 C ATOM 850 CG GLU B 6 2.209 -8.224 5.801 1.00 0.00 C ATOM 851 CD GLU B 6 2.430 -7.447 7.084 1.00 0.00 C ATOM 852 OE1 GLU B 6 2.960 -6.319 7.010 1.00 0.00 O ATOM 853 OE2 GLU B 6 2.074 -7.968 8.162 1.00 0.00 O ATOM 0 H GLU B 6 3.026 -9.383 2.839 1.00 0.00 H new ATOM 0 HA GLU B 6 3.381 -6.864 3.988 1.00 0.00 H new ATOM 0 HB2 GLU B 6 3.421 -9.707 4.845 1.00 0.00 H new ATOM 0 HB3 GLU B 6 4.312 -8.615 5.888 1.00 0.00 H new ATOM 0 HG2 GLU B 6 1.647 -7.607 5.100 1.00 0.00 H new ATOM 0 HG3 GLU B 6 1.599 -9.102 6.013 1.00 0.00 H new ATOM 860 N PRO B 7 6.251 -8.601 3.842 1.00 0.00 N ATOM 861 CA PRO B 7 7.713 -8.454 3.832 1.00 0.00 C ATOM 862 C PRO B 7 8.189 -7.295 2.954 1.00 0.00 C ATOM 863 O PRO B 7 9.114 -6.567 3.319 1.00 0.00 O ATOM 864 CB PRO B 7 8.186 -9.785 3.252 1.00 0.00 C ATOM 865 CG PRO B 7 7.153 -10.769 3.683 1.00 0.00 C ATOM 866 CD PRO B 7 5.847 -10.022 3.734 1.00 0.00 C ATOM 0 HA PRO B 7 8.105 -8.230 4.824 1.00 0.00 H new ATOM 0 HB2 PRO B 7 8.262 -9.740 2.166 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.172 -10.054 3.630 1.00 0.00 H new ATOM 0 HG2 PRO B 7 7.096 -11.603 2.984 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.399 -11.188 4.659 1.00 0.00 H new ATOM 0 HD2 PRO B 7 5.250 -10.200 2.840 1.00 0.00 H new ATOM 0 HD3 PRO B 7 5.243 -10.331 4.587 1.00 0.00 H new ATOM 874 N ALA B 8 7.548 -7.129 1.802 1.00 0.00 N ATOM 875 CA ALA B 8 7.901 -6.059 0.877 1.00 0.00 C ATOM 876 C ALA B 8 7.607 -4.693 1.485 1.00 0.00 C ATOM 877 O ALA B 8 8.367 -3.741 1.298 1.00 0.00 O ATOM 878 CB ALA B 8 7.149 -6.227 -0.436 1.00 0.00 C ATOM 0 H ALA B 8 6.781 -7.722 1.487 1.00 0.00 H new ATOM 0 HA ALA B 8 8.971 -6.119 0.680 1.00 0.00 H new ATOM 0 HB1 ALA B 8 7.422 -5.421 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA B 8 7.410 -7.186 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.076 -6.195 -0.247 1.00 0.00 H new ATOM 884 N GLN B 9 6.500 -4.603 2.216 1.00 0.00 N ATOM 885 CA GLN B 9 6.104 -3.354 2.854 1.00 0.00 C ATOM 886 C GLN B 9 7.117 -2.943 3.916 1.00 0.00 C ATOM 887 O GLN B 9 7.355 -1.756 4.137 1.00 0.00 O ATOM 888 CB GLN B 9 4.714 -3.495 3.479 1.00 0.00 C ATOM 889 CG GLN B 9 3.705 -4.180 2.570 1.00 0.00 C ATOM 890 CD GLN B 9 2.402 -3.413 2.455 1.00 0.00 C ATOM 891 OE1 GLN B 9 2.386 -2.182 2.499 1.00 0.00 O ATOM 892 NE2 GLN B 9 1.299 -4.137 2.307 1.00 0.00 N ATOM 0 H GLN B 9 5.862 -5.381 2.381 1.00 0.00 H new ATOM 0 HA GLN B 9 6.072 -2.577 2.091 1.00 0.00 H new ATOM 0 HB2 GLN B 9 4.798 -4.061 4.407 1.00 0.00 H new ATOM 0 HB3 GLN B 9 4.341 -2.505 3.742 1.00 0.00 H new ATOM 0 HG2 GLN B 9 4.140 -4.300 1.578 1.00 0.00 H new ATOM 0 HG3 GLN B 9 3.500 -5.180 2.951 1.00 0.00 H new ATOM 0 HE21 GLN B 9 1.357 -5.155 2.276 1.00 0.00 H new ATOM 0 HE22 GLN B 9 0.393 -3.675 2.225 1.00 0.00 H new ATOM 901 N GLU B 10 7.715 -3.935 4.569 1.00 0.00 N ATOM 902 CA GLU B 10 8.708 -3.678 5.607 1.00 0.00 C ATOM 903 C GLU B 10 10.024 -3.214 4.994 1.00 0.00 C ATOM 904 O GLU B 10 10.764 -2.439 5.598 1.00 0.00 O ATOM 905 CB GLU B 10 8.938 -4.939 6.445 1.00 0.00 C ATOM 906 CG GLU B 10 9.888 -4.730 7.611 1.00 0.00 C ATOM 907 CD GLU B 10 9.163 -4.594 8.936 1.00 0.00 C ATOM 908 OE1 GLU B 10 8.311 -3.687 9.056 1.00 0.00 O ATOM 909 OE2 GLU B 10 9.447 -5.392 9.854 1.00 0.00 O ATOM 0 H GLU B 10 7.530 -4.923 4.398 1.00 0.00 H new ATOM 0 HA GLU B 10 8.328 -2.886 6.252 1.00 0.00 H new ATOM 0 HB2 GLU B 10 7.980 -5.291 6.827 1.00 0.00 H new ATOM 0 HB3 GLU B 10 9.333 -5.725 5.802 1.00 0.00 H new ATOM 0 HG2 GLU B 10 10.582 -5.569 7.665 1.00 0.00 H new ATOM 0 HG3 GLU B 10 10.484 -3.835 7.433 1.00 0.00 H new ATOM 916 N GLU B 11 10.311 -3.696 3.787 1.00 0.00 N ATOM 917 CA GLU B 11 11.539 -3.332 3.088 1.00 0.00 C ATOM 918 C GLU B 11 11.518 -1.865 2.680 1.00 0.00 C ATOM 919 O GLU B 11 12.509 -1.156 2.859 1.00 0.00 O ATOM 920 CB GLU B 11 11.729 -4.220 1.857 1.00 0.00 C ATOM 921 CG GLU B 11 13.006 -3.927 1.086 1.00 0.00 C ATOM 922 CD GLU B 11 14.183 -4.764 1.555 1.00 0.00 C ATOM 923 OE1 GLU B 11 14.062 -5.426 2.609 1.00 0.00 O ATOM 924 OE2 GLU B 11 15.226 -4.758 0.868 1.00 0.00 O ATOM 0 H GLU B 11 9.709 -4.340 3.273 1.00 0.00 H new ATOM 0 HA GLU B 11 12.377 -3.485 3.768 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.735 -5.264 2.170 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.875 -4.092 1.192 1.00 0.00 H new ATOM 0 HG2 GLU B 11 12.835 -4.111 0.025 1.00 0.00 H new ATOM 0 HG3 GLU B 11 13.253 -2.871 1.190 1.00 0.00 H new ATOM 931 N HIS B 12 10.393 -1.402 2.138 1.00 0.00 N ATOM 932 CA HIS B 12 10.288 -0.008 1.727 1.00 0.00 C ATOM 933 C HIS B 12 10.456 0.913 2.938 1.00 0.00 C ATOM 934 O HIS B 12 11.068 1.972 2.845 1.00 0.00 O ATOM 935 CB HIS B 12 8.949 0.292 1.027 1.00 0.00 C ATOM 936 CG HIS B 12 8.856 1.723 0.596 1.00 0.00 C ATOM 937 ND1 HIS B 12 8.863 2.155 -0.716 1.00 0.00 N ATOM 938 CD2 HIS B 12 8.896 2.837 1.357 1.00 0.00 C ATOM 939 CE1 HIS B 12 8.930 3.499 -0.699 1.00 0.00 C ATOM 940 NE2 HIS B 12 8.951 3.950 0.538 1.00 0.00 N ATOM 0 H HIS B 12 9.556 -1.962 1.976 1.00 0.00 H new ATOM 0 HA HIS B 12 11.086 0.178 1.008 1.00 0.00 H new ATOM 0 HB2 HIS B 12 8.839 -0.357 0.158 1.00 0.00 H new ATOM 0 HB3 HIS B 12 8.126 0.062 1.703 1.00 0.00 H new ATOM 0 HD1 HIS B 12 8.824 1.563 -1.546 1.00 0.00 H new ATOM 0 HD2 HIS B 12 8.887 2.856 2.437 1.00 0.00 H new ATOM 0 HE1 HIS B 12 8.962 4.123 -1.580 1.00 0.00 H new ATOM 948 N GLU B 13 9.889 0.510 4.063 1.00 0.00 N ATOM 949 CA GLU B 13 9.964 1.307 5.279 1.00 0.00 C ATOM 950 C GLU B 13 11.404 1.471 5.775 1.00 0.00 C ATOM 951 O GLU B 13 11.666 2.298 6.650 1.00 0.00 O ATOM 952 CB GLU B 13 9.107 0.672 6.374 1.00 0.00 C ATOM 953 CG GLU B 13 7.667 1.161 6.380 1.00 0.00 C ATOM 954 CD GLU B 13 7.385 2.138 7.505 1.00 0.00 C ATOM 955 OE1 GLU B 13 8.295 2.921 7.853 1.00 0.00 O ATOM 956 OE2 GLU B 13 6.256 2.124 8.036 1.00 0.00 O ATOM 0 H GLU B 13 9.372 -0.364 4.161 1.00 0.00 H new ATOM 0 HA GLU B 13 9.583 2.300 5.041 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.114 -0.411 6.247 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.557 0.882 7.344 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.446 1.639 5.426 1.00 0.00 H new ATOM 0 HG3 GLU B 13 6.998 0.306 6.471 1.00 0.00 H new ATOM 963 N LYS B 14 12.336 0.677 5.241 1.00 0.00 N ATOM 964 CA LYS B 14 13.728 0.750 5.678 1.00 0.00 C ATOM 965 C LYS B 14 14.665 1.298 4.585 1.00 0.00 C ATOM 966 O LYS B 14 15.770 1.751 4.887 1.00 0.00 O ATOM 967 CB LYS B 14 14.186 -0.637 6.172 1.00 0.00 C ATOM 968 CG LYS B 14 14.793 -1.543 5.108 1.00 0.00 C ATOM 969 CD LYS B 14 14.581 -3.009 5.439 1.00 0.00 C ATOM 970 CE LYS B 14 15.462 -3.451 6.595 1.00 0.00 C ATOM 971 NZ LYS B 14 14.837 -4.549 7.382 1.00 0.00 N ATOM 0 H LYS B 14 12.153 -0.015 4.514 1.00 0.00 H new ATOM 0 HA LYS B 14 13.785 1.461 6.502 1.00 0.00 H new ATOM 0 HB2 LYS B 14 14.919 -0.497 6.967 1.00 0.00 H new ATOM 0 HB3 LYS B 14 13.330 -1.147 6.614 1.00 0.00 H new ATOM 0 HG2 LYS B 14 14.346 -1.319 4.140 1.00 0.00 H new ATOM 0 HG3 LYS B 14 15.860 -1.339 5.021 1.00 0.00 H new ATOM 0 HD2 LYS B 14 13.534 -3.178 5.692 1.00 0.00 H new ATOM 0 HD3 LYS B 14 14.799 -3.617 4.561 1.00 0.00 H new ATOM 0 HE2 LYS B 14 16.426 -3.784 6.210 1.00 0.00 H new ATOM 0 HE3 LYS B 14 15.656 -2.601 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 15.470 -4.821 8.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 13.929 -4.224 7.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 14.675 -5.370 6.764 1.00 0.00 H new ATOM 985 N TYR B 15 14.239 1.243 3.323 1.00 0.00 N ATOM 986 CA TYR B 15 15.081 1.723 2.221 1.00 0.00 C ATOM 987 C TYR B 15 14.320 2.605 1.219 1.00 0.00 C ATOM 988 O TYR B 15 14.896 3.030 0.217 1.00 0.00 O ATOM 989 CB TYR B 15 15.675 0.533 1.459 1.00 0.00 C ATOM 990 CG TYR B 15 16.496 -0.413 2.306 1.00 0.00 C ATOM 991 CD1 TYR B 15 17.642 0.020 2.956 1.00 0.00 C ATOM 992 CD2 TYR B 15 16.130 -1.749 2.441 1.00 0.00 C ATOM 993 CE1 TYR B 15 18.401 -0.848 3.720 1.00 0.00 C ATOM 994 CE2 TYR B 15 16.884 -2.623 3.199 1.00 0.00 C ATOM 995 CZ TYR B 15 18.018 -2.166 3.836 1.00 0.00 C ATOM 996 OH TYR B 15 18.774 -3.033 4.592 1.00 0.00 O ATOM 0 H TYR B 15 13.330 0.877 3.038 1.00 0.00 H new ATOM 0 HA TYR B 15 15.863 2.330 2.678 1.00 0.00 H new ATOM 0 HB2 TYR B 15 14.862 -0.027 0.997 1.00 0.00 H new ATOM 0 HB3 TYR B 15 16.301 0.912 0.651 1.00 0.00 H new ATOM 0 HD1 TYR B 15 17.947 1.052 2.864 1.00 0.00 H new ATOM 0 HD2 TYR B 15 15.241 -2.108 1.944 1.00 0.00 H new ATOM 0 HE1 TYR B 15 19.289 -0.494 4.223 1.00 0.00 H new ATOM 0 HE2 TYR B 15 16.587 -3.657 3.292 1.00 0.00 H new ATOM 0 HH TYR B 15 18.367 -3.924 4.572 1.00 0.00 H new ATOM 1006 N HIS B 16 13.029 2.857 1.464 1.00 0.00 N ATOM 1007 CA HIS B 16 12.192 3.659 0.556 1.00 0.00 C ATOM 1008 C HIS B 16 12.436 3.294 -0.913 1.00 0.00 C ATOM 1009 O HIS B 16 12.330 4.142 -1.800 1.00 0.00 O ATOM 1010 CB HIS B 16 12.408 5.164 0.759 1.00 0.00 C ATOM 1011 CG HIS B 16 11.967 5.677 2.100 1.00 0.00 C ATOM 1012 ND1 HIS B 16 10.652 6.004 2.374 1.00 0.00 N ATOM 1013 CD2 HIS B 16 12.714 5.929 3.202 1.00 0.00 C ATOM 1014 CE1 HIS B 16 10.635 6.439 3.618 1.00 0.00 C ATOM 1015 NE2 HIS B 16 11.861 6.414 4.162 1.00 0.00 N ATOM 0 H HIS B 16 12.536 2.515 2.289 1.00 0.00 H new ATOM 0 HA HIS B 16 11.158 3.423 0.805 1.00 0.00 H new ATOM 0 HB2 HIS B 16 13.467 5.388 0.628 1.00 0.00 H new ATOM 0 HB3 HIS B 16 11.869 5.705 -0.019 1.00 0.00 H new ATOM 0 HD2 HIS B 16 13.778 5.777 3.305 1.00 0.00 H new ATOM 0 HE1 HIS B 16 9.747 6.773 4.134 1.00 0.00 H new ATOM 0 HE2 HIS B 16 12.112 6.701 5.108 1.00 0.00 H new ATOM 1023 N SER B 17 12.770 2.029 -1.151 1.00 0.00 N ATOM 1024 CA SER B 17 13.042 1.539 -2.501 1.00 0.00 C ATOM 1025 C SER B 17 11.873 1.807 -3.443 1.00 0.00 C ATOM 1026 O SER B 17 10.763 2.117 -3.005 1.00 0.00 O ATOM 1027 CB SER B 17 13.346 0.039 -2.466 1.00 0.00 C ATOM 1028 OG SER B 17 14.492 -0.231 -1.682 1.00 0.00 O ATOM 0 H SER B 17 12.859 1.320 -0.423 1.00 0.00 H new ATOM 0 HA SER B 17 13.910 2.079 -2.879 1.00 0.00 H new ATOM 0 HB2 SER B 17 12.489 -0.499 -2.060 1.00 0.00 H new ATOM 0 HB3 SER B 17 13.501 -0.327 -3.481 1.00 0.00 H new ATOM 0 HG SER B 17 15.266 -0.362 -2.268 1.00 0.00 H new ATOM 1034 N ASN B 18 12.134 1.688 -4.742 1.00 0.00 N ATOM 1035 CA ASN B 18 11.112 1.915 -5.758 1.00 0.00 C ATOM 1036 C ASN B 18 10.291 0.651 -5.996 1.00 0.00 C ATOM 1037 O ASN B 18 10.379 -0.311 -5.231 1.00 0.00 O ATOM 1038 CB ASN B 18 11.762 2.368 -7.068 1.00 0.00 C ATOM 1039 CG ASN B 18 12.804 3.452 -6.861 1.00 0.00 C ATOM 1040 OD1 ASN B 18 12.800 4.145 -5.845 1.00 0.00 O ATOM 1041 ND2 ASN B 18 13.703 3.600 -7.825 1.00 0.00 N ATOM 0 H ASN B 18 13.048 1.435 -5.116 1.00 0.00 H new ATOM 0 HA ASN B 18 10.444 2.698 -5.399 1.00 0.00 H new ATOM 0 HB2 ASN B 18 12.228 1.510 -7.553 1.00 0.00 H new ATOM 0 HB3 ASN B 18 10.990 2.736 -7.744 1.00 0.00 H new ATOM 0 HD21 ASN B 18 14.429 4.311 -7.740 1.00 0.00 H new ATOM 0 HD22 ASN B 18 13.668 3.002 -8.651 1.00 0.00 H new ATOM 1048 N VAL B 19 9.495 0.659 -7.060 1.00 0.00 N ATOM 1049 CA VAL B 19 8.660 -0.487 -7.400 1.00 0.00 C ATOM 1050 C VAL B 19 9.491 -1.616 -7.998 1.00 0.00 C ATOM 1051 O VAL B 19 9.445 -2.751 -7.526 1.00 0.00 O ATOM 1052 CB VAL B 19 7.552 -0.096 -8.397 1.00 0.00 C ATOM 1053 CG1 VAL B 19 6.595 -1.255 -8.625 1.00 0.00 C ATOM 1054 CG2 VAL B 19 6.804 1.131 -7.903 1.00 0.00 C ATOM 0 H VAL B 19 9.411 1.447 -7.702 1.00 0.00 H new ATOM 0 HA VAL B 19 8.201 -0.831 -6.473 1.00 0.00 H new ATOM 0 HB VAL B 19 8.020 0.146 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL B 19 5.822 -0.955 -9.332 1.00 0.00 H new ATOM 0 HG12 VAL B 19 7.144 -2.106 -9.027 1.00 0.00 H new ATOM 0 HG13 VAL B 19 6.132 -1.536 -7.679 1.00 0.00 H new ATOM 0 HG21 VAL B 19 6.025 1.394 -8.618 1.00 0.00 H new ATOM 0 HG22 VAL B 19 6.351 0.916 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL B 19 7.499 1.964 -7.801 1.00 0.00 H new ATOM 1064 N LYS B 20 10.250 -1.295 -9.043 1.00 0.00 N ATOM 1065 CA LYS B 20 11.092 -2.281 -9.715 1.00 0.00 C ATOM 1066 C LYS B 20 12.038 -2.963 -8.729 1.00 0.00 C ATOM 1067 O LYS B 20 12.374 -4.135 -8.888 1.00 0.00 O ATOM 1068 CB LYS B 20 11.896 -1.615 -10.833 1.00 0.00 C ATOM 1069 CG LYS B 20 12.622 -2.603 -11.731 1.00 0.00 C ATOM 1070 CD LYS B 20 14.015 -2.913 -11.206 1.00 0.00 C ATOM 1071 CE LYS B 20 15.019 -3.044 -12.339 1.00 0.00 C ATOM 1072 NZ LYS B 20 16.417 -2.860 -11.864 1.00 0.00 N ATOM 0 H LYS B 20 10.299 -0.358 -9.443 1.00 0.00 H new ATOM 0 HA LYS B 20 10.440 -3.042 -10.145 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.224 -1.010 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS B 20 12.625 -0.936 -10.390 1.00 0.00 H new ATOM 0 HG2 LYS B 20 12.045 -3.525 -11.801 1.00 0.00 H new ATOM 0 HG3 LYS B 20 12.694 -2.195 -12.739 1.00 0.00 H new ATOM 0 HD2 LYS B 20 14.333 -2.123 -10.526 1.00 0.00 H new ATOM 0 HD3 LYS B 20 13.991 -3.838 -10.631 1.00 0.00 H new ATOM 0 HE2 LYS B 20 14.919 -4.026 -12.801 1.00 0.00 H new ATOM 0 HE3 LYS B 20 14.797 -2.305 -13.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 17.072 -2.957 -12.666 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 16.520 -1.914 -11.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 16.638 -3.581 -11.148 1.00 0.00 H new ATOM 1086 N GLU B 21 12.454 -2.222 -7.709 1.00 0.00 N ATOM 1087 CA GLU B 21 13.354 -2.760 -6.696 1.00 0.00 C ATOM 1088 C GLU B 21 12.647 -3.819 -5.857 1.00 0.00 C ATOM 1089 O GLU B 21 13.163 -4.918 -5.660 1.00 0.00 O ATOM 1090 CB GLU B 21 13.874 -1.639 -5.794 1.00 0.00 C ATOM 1091 CG GLU B 21 14.961 -2.090 -4.830 1.00 0.00 C ATOM 1092 CD GLU B 21 16.197 -1.212 -4.888 1.00 0.00 C ATOM 1093 OE1 GLU B 21 16.872 -1.204 -5.939 1.00 0.00 O ATOM 1094 OE2 GLU B 21 16.492 -0.534 -3.881 1.00 0.00 O ATOM 0 H GLU B 21 12.184 -1.250 -7.561 1.00 0.00 H new ATOM 0 HA GLU B 21 14.199 -3.225 -7.204 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.263 -0.834 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU B 21 13.042 -1.227 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU B 21 14.565 -2.086 -3.815 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.240 -3.118 -5.059 1.00 0.00 H new ATOM 1101 N LEU B 22 11.458 -3.479 -5.370 1.00 0.00 N ATOM 1102 CA LEU B 22 10.677 -4.404 -4.559 1.00 0.00 C ATOM 1103 C LEU B 22 10.218 -5.591 -5.396 1.00 0.00 C ATOM 1104 O LEU B 22 10.274 -6.739 -4.953 1.00 0.00 O ATOM 1105 CB LEU B 22 9.461 -3.695 -3.958 1.00 0.00 C ATOM 1106 CG LEU B 22 9.783 -2.594 -2.947 1.00 0.00 C ATOM 1107 CD1 LEU B 22 8.544 -1.760 -2.658 1.00 0.00 C ATOM 1108 CD2 LEU B 22 10.335 -3.195 -1.663 1.00 0.00 C ATOM 0 H LEU B 22 11.016 -2.573 -5.523 1.00 0.00 H new ATOM 0 HA LEU B 22 11.312 -4.765 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU B 22 8.876 -3.262 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU B 22 8.830 -4.439 -3.472 1.00 0.00 H new ATOM 0 HG LEU B 22 10.544 -1.942 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU B 22 8.790 -0.981 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU B 22 8.191 -1.301 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU B 22 7.762 -2.400 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU B 22 10.559 -2.397 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU B 22 9.596 -3.869 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.247 -3.750 -1.884 1.00 0.00 H new ATOM 1120 N SER B 23 9.766 -5.304 -6.612 1.00 0.00 N ATOM 1121 CA SER B 23 9.298 -6.343 -7.519 1.00 0.00 C ATOM 1122 C SER B 23 10.428 -7.299 -7.889 1.00 0.00 C ATOM 1123 O SER B 23 10.211 -8.498 -8.046 1.00 0.00 O ATOM 1124 CB SER B 23 8.713 -5.715 -8.786 1.00 0.00 C ATOM 1125 OG SER B 23 7.692 -4.783 -8.469 1.00 0.00 O ATOM 0 H SER B 23 9.714 -4.359 -6.992 1.00 0.00 H new ATOM 0 HA SER B 23 8.521 -6.911 -7.007 1.00 0.00 H new ATOM 0 HB2 SER B 23 9.504 -5.216 -9.347 1.00 0.00 H new ATOM 0 HB3 SER B 23 8.309 -6.496 -9.430 1.00 0.00 H new ATOM 0 HG SER B 23 8.095 -3.966 -8.107 1.00 0.00 H new ATOM 1131 N HIS B 24 11.635 -6.761 -8.028 1.00 0.00 N ATOM 1132 CA HIS B 24 12.797 -7.571 -8.384 1.00 0.00 C ATOM 1133 C HIS B 24 13.361 -8.295 -7.162 1.00 0.00 C ATOM 1134 O HIS B 24 13.943 -9.372 -7.283 1.00 0.00 O ATOM 1135 CB HIS B 24 13.874 -6.685 -9.021 1.00 0.00 C ATOM 1136 CG HIS B 24 15.140 -7.414 -9.369 1.00 0.00 C ATOM 1137 ND1 HIS B 24 15.162 -8.397 -10.326 1.00 0.00 N ATOM 1138 CD2 HIS B 24 16.386 -7.262 -8.859 1.00 0.00 C ATOM 1139 CE1 HIS B 24 16.412 -8.823 -10.379 1.00 0.00 C ATOM 1140 NE2 HIS B 24 17.192 -8.165 -9.508 1.00 0.00 N ATOM 0 H HIS B 24 11.835 -5.769 -7.900 1.00 0.00 H new ATOM 0 HA HIS B 24 12.481 -8.326 -9.104 1.00 0.00 H new ATOM 0 HB2 HIS B 24 13.468 -6.231 -9.925 1.00 0.00 H new ATOM 0 HB3 HIS B 24 14.112 -5.872 -8.336 1.00 0.00 H new ATOM 0 HD2 HIS B 24 16.687 -6.565 -8.091 1.00 0.00 H new ATOM 0 HE1 HIS B 24 16.761 -9.602 -11.040 1.00 0.00 H new ATOM 0 HE2 HIS B 24 18.191 -8.308 -9.357 1.00 0.00 H new ATOM 1148 N LYS B 25 13.202 -7.690 -5.990 1.00 0.00 N ATOM 1149 CA LYS B 25 13.714 -8.271 -4.754 1.00 0.00 C ATOM 1150 C LYS B 25 12.797 -9.362 -4.205 1.00 0.00 C ATOM 1151 O LYS B 25 13.270 -10.387 -3.716 1.00 0.00 O ATOM 1152 CB LYS B 25 13.904 -7.181 -3.699 1.00 0.00 C ATOM 1153 CG LYS B 25 14.953 -7.525 -2.652 1.00 0.00 C ATOM 1154 CD LYS B 25 14.370 -8.378 -1.536 1.00 0.00 C ATOM 1155 CE LYS B 25 15.235 -8.326 -0.287 1.00 0.00 C ATOM 1156 NZ LYS B 25 15.272 -9.637 0.418 1.00 0.00 N ATOM 0 H LYS B 25 12.723 -6.798 -5.870 1.00 0.00 H new ATOM 0 HA LYS B 25 14.674 -8.732 -4.989 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.188 -6.253 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS B 25 12.952 -6.998 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS B 25 15.779 -8.057 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS B 25 15.364 -6.607 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS B 25 13.364 -8.031 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS B 25 14.279 -9.410 -1.875 1.00 0.00 H new ATOM 0 HE2 LYS B 25 16.249 -8.032 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS B 25 14.852 -7.561 0.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 15.872 -9.559 1.264 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 14.308 -9.906 0.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 15.662 -10.362 -0.218 1.00 0.00 H new ATOM 1170 N PHE B 26 11.487 -9.133 -4.268 1.00 0.00 N ATOM 1171 CA PHE B 26 10.526 -10.103 -3.749 1.00 0.00 C ATOM 1172 C PHE B 26 9.835 -10.880 -4.866 1.00 0.00 C ATOM 1173 O PHE B 26 9.447 -12.033 -4.678 1.00 0.00 O ATOM 1174 CB PHE B 26 9.487 -9.394 -2.878 1.00 0.00 C ATOM 1175 CG PHE B 26 10.078 -8.755 -1.656 1.00 0.00 C ATOM 1176 CD1 PHE B 26 10.191 -9.466 -0.472 1.00 0.00 C ATOM 1177 CD2 PHE B 26 10.530 -7.445 -1.693 1.00 0.00 C ATOM 1178 CE1 PHE B 26 10.743 -8.882 0.653 1.00 0.00 C ATOM 1179 CE2 PHE B 26 11.079 -6.856 -0.571 1.00 0.00 C ATOM 1180 CZ PHE B 26 11.187 -7.575 0.604 1.00 0.00 C ATOM 0 H PHE B 26 11.070 -8.293 -4.669 1.00 0.00 H new ATOM 0 HA PHE B 26 11.078 -10.823 -3.146 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.984 -8.631 -3.472 1.00 0.00 H new ATOM 0 HB3 PHE B 26 8.727 -10.113 -2.573 1.00 0.00 H new ATOM 0 HD1 PHE B 26 9.844 -10.488 -0.428 1.00 0.00 H new ATOM 0 HD2 PHE B 26 10.452 -6.879 -2.609 1.00 0.00 H new ATOM 0 HE1 PHE B 26 10.827 -9.447 1.569 1.00 0.00 H new ATOM 0 HE2 PHE B 26 11.424 -5.833 -0.612 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.617 -7.116 1.482 1.00 0.00 H new ATOM 1190 N GLY B 27 9.681 -10.252 -6.028 1.00 0.00 N ATOM 1191 CA GLY B 27 9.033 -10.919 -7.145 1.00 0.00 C ATOM 1192 C GLY B 27 7.542 -10.644 -7.200 1.00 0.00 C ATOM 1193 O GLY B 27 6.755 -11.520 -7.564 1.00 0.00 O ATOM 0 H GLY B 27 9.991 -9.299 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY B 27 9.494 -10.592 -8.077 1.00 0.00 H new ATOM 0 HA3 GLY B 27 9.198 -11.994 -7.068 1.00 0.00 H new ATOM 1197 N ILE B 28 7.149 -9.426 -6.838 1.00 0.00 N ATOM 1198 CA ILE B 28 5.741 -9.043 -6.848 1.00 0.00 C ATOM 1199 C ILE B 28 5.419 -8.146 -8.042 1.00 0.00 C ATOM 1200 O ILE B 28 6.244 -7.328 -8.449 1.00 0.00 O ATOM 1201 CB ILE B 28 5.345 -8.309 -5.552 1.00 0.00 C ATOM 1202 CG1 ILE B 28 6.382 -7.245 -5.193 1.00 0.00 C ATOM 1203 CG2 ILE B 28 5.180 -9.301 -4.409 1.00 0.00 C ATOM 1204 CD1 ILE B 28 5.896 -6.246 -4.166 1.00 0.00 C ATOM 0 H ILE B 28 7.785 -8.688 -6.535 1.00 0.00 H new ATOM 0 HA ILE B 28 5.168 -9.967 -6.924 1.00 0.00 H new ATOM 0 HB ILE B 28 4.390 -7.811 -5.719 1.00 0.00 H new ATOM 0 HG12 ILE B 28 7.278 -7.737 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE B 28 6.671 -6.711 -6.098 1.00 0.00 H new ATOM 0 HG21 ILE B 28 4.900 -8.767 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE B 28 4.401 -10.020 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE B 28 6.120 -9.827 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.685 -5.522 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE B 28 5.018 -5.727 -4.550 1.00 0.00 H new ATOM 0 HD13 ILE B 28 5.635 -6.768 -3.246 1.00 0.00 H new ATOM 1216 N PRO B 29 4.207 -8.279 -8.628 1.00 0.00 N ATOM 1217 CA PRO B 29 3.797 -7.463 -9.777 1.00 0.00 C ATOM 1218 C PRO B 29 4.012 -5.973 -9.534 1.00 0.00 C ATOM 1219 O PRO B 29 4.016 -5.516 -8.390 1.00 0.00 O ATOM 1220 CB PRO B 29 2.304 -7.771 -9.918 1.00 0.00 C ATOM 1221 CG PRO B 29 2.140 -9.131 -9.332 1.00 0.00 C ATOM 1222 CD PRO B 29 3.145 -9.224 -8.217 1.00 0.00 C ATOM 0 HA PRO B 29 4.379 -7.694 -10.669 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.697 -7.036 -9.389 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.992 -7.750 -10.962 1.00 0.00 H new ATOM 0 HG2 PRO B 29 1.127 -9.275 -8.957 1.00 0.00 H new ATOM 0 HG3 PRO B 29 2.316 -9.903 -10.081 1.00 0.00 H new ATOM 0 HD2 PRO B 29 2.708 -8.944 -7.259 1.00 0.00 H new ATOM 0 HD3 PRO B 29 3.530 -10.238 -8.108 1.00 0.00 H new ATOM 1230 N ASN B 30 4.191 -5.217 -10.613 1.00 0.00 N ATOM 1231 CA ASN B 30 4.410 -3.776 -10.513 1.00 0.00 C ATOM 1232 C ASN B 30 3.259 -3.099 -9.777 1.00 0.00 C ATOM 1233 O ASN B 30 3.455 -2.098 -9.087 1.00 0.00 O ATOM 1234 CB ASN B 30 4.566 -3.165 -11.907 1.00 0.00 C ATOM 1235 CG ASN B 30 5.938 -3.418 -12.502 1.00 0.00 C ATOM 1236 OD1 ASN B 30 6.324 -4.562 -12.736 1.00 0.00 O ATOM 1237 ND2 ASN B 30 6.683 -2.346 -12.749 1.00 0.00 N ATOM 0 H ASN B 30 4.189 -5.577 -11.567 1.00 0.00 H new ATOM 0 HA ASN B 30 5.326 -3.613 -9.946 1.00 0.00 H new ATOM 0 HB2 ASN B 30 3.805 -3.578 -12.569 1.00 0.00 H new ATOM 0 HB3 ASN B 30 4.390 -2.091 -11.851 1.00 0.00 H new ATOM 0 HD21 ASN B 30 7.615 -2.454 -13.149 1.00 0.00 H new ATOM 0 HD22 ASN B 30 6.323 -1.415 -12.539 1.00 0.00 H new ATOM 1244 N LEU B 31 2.064 -3.654 -9.923 1.00 0.00 N ATOM 1245 CA LEU B 31 0.884 -3.108 -9.266 1.00 0.00 C ATOM 1246 C LEU B 31 1.047 -3.151 -7.751 1.00 0.00 C ATOM 1247 O LEU B 31 0.924 -2.132 -7.074 1.00 0.00 O ATOM 1248 CB LEU B 31 -0.366 -3.887 -9.681 1.00 0.00 C ATOM 1249 CG LEU B 31 -1.663 -3.439 -9.007 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -2.155 -2.132 -9.609 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -2.727 -4.518 -9.134 1.00 0.00 C ATOM 0 H LEU B 31 1.886 -4.482 -10.491 1.00 0.00 H new ATOM 0 HA LEU B 31 0.770 -2.069 -9.575 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -0.487 -3.800 -10.761 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -0.207 -4.943 -9.462 1.00 0.00 H new ATOM 0 HG LEU B 31 -1.462 -3.274 -7.948 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -3.079 -1.830 -9.116 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -1.399 -1.359 -9.468 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -2.340 -2.269 -10.674 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -3.644 -4.184 -8.649 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -2.924 -4.712 -10.188 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -2.377 -5.433 -8.656 1.00 0.00 H new ATOM 1263 N VAL B 32 1.329 -4.342 -7.229 1.00 0.00 N ATOM 1264 CA VAL B 32 1.510 -4.530 -5.791 1.00 0.00 C ATOM 1265 C VAL B 32 2.605 -3.624 -5.243 1.00 0.00 C ATOM 1266 O VAL B 32 2.399 -2.919 -4.255 1.00 0.00 O ATOM 1267 CB VAL B 32 1.859 -5.993 -5.456 1.00 0.00 C ATOM 1268 CG1 VAL B 32 1.818 -6.222 -3.954 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.916 -6.946 -6.174 1.00 0.00 C ATOM 0 H VAL B 32 1.437 -5.193 -7.781 1.00 0.00 H new ATOM 0 HA VAL B 32 0.562 -4.269 -5.321 1.00 0.00 H new ATOM 0 HB VAL B 32 2.873 -6.193 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL B 32 2.067 -7.261 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL B 32 2.539 -5.566 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL B 32 0.818 -6.003 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL B 32 1.179 -7.974 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.109 -6.747 -5.862 1.00 0.00 H new ATOM 0 HG23 VAL B 32 1.002 -6.800 -7.251 1.00 0.00 H new ATOM 1279 N ALA B 33 3.770 -3.643 -5.884 1.00 0.00 N ATOM 1280 CA ALA B 33 4.888 -2.815 -5.448 1.00 0.00 C ATOM 1281 C ALA B 33 4.518 -1.338 -5.492 1.00 0.00 C ATOM 1282 O ALA B 33 4.978 -0.546 -4.670 1.00 0.00 O ATOM 1283 CB ALA B 33 6.115 -3.081 -6.305 1.00 0.00 C ATOM 0 H ALA B 33 3.963 -4.220 -6.703 1.00 0.00 H new ATOM 0 HA ALA B 33 5.122 -3.077 -4.416 1.00 0.00 H new ATOM 0 HB1 ALA B 33 6.939 -2.454 -5.965 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.398 -4.130 -6.220 1.00 0.00 H new ATOM 0 HB3 ALA B 33 5.889 -2.850 -7.346 1.00 0.00 H new ATOM 1289 N ARG B 34 3.671 -0.974 -6.453 1.00 0.00 N ATOM 1290 CA ARG B 34 3.232 0.408 -6.593 1.00 0.00 C ATOM 1291 C ARG B 34 2.421 0.834 -5.378 1.00 0.00 C ATOM 1292 O ARG B 34 2.517 1.974 -4.921 1.00 0.00 O ATOM 1293 CB ARG B 34 2.403 0.581 -7.868 1.00 0.00 C ATOM 1294 CG ARG B 34 3.236 0.953 -9.083 1.00 0.00 C ATOM 1295 CD ARG B 34 2.363 1.203 -10.303 1.00 0.00 C ATOM 1296 NE ARG B 34 2.151 2.628 -10.542 1.00 0.00 N ATOM 1297 CZ ARG B 34 1.469 3.118 -11.579 1.00 0.00 C ATOM 1298 NH1 ARG B 34 0.927 2.304 -12.478 1.00 0.00 N ATOM 1299 NH2 ARG B 34 1.328 4.430 -11.716 1.00 0.00 N ATOM 0 H ARG B 34 3.278 -1.615 -7.142 1.00 0.00 H new ATOM 0 HA ARG B 34 4.115 1.043 -6.663 1.00 0.00 H new ATOM 0 HB2 ARG B 34 1.868 -0.346 -8.073 1.00 0.00 H new ATOM 0 HB3 ARG B 34 1.651 1.353 -7.702 1.00 0.00 H new ATOM 0 HG2 ARG B 34 3.821 1.846 -8.864 1.00 0.00 H new ATOM 0 HG3 ARG B 34 3.944 0.153 -9.299 1.00 0.00 H new ATOM 0 HD2 ARG B 34 2.829 0.754 -11.180 1.00 0.00 H new ATOM 0 HD3 ARG B 34 1.400 0.711 -10.166 1.00 0.00 H new ATOM 0 HE ARG B 34 2.549 3.289 -9.875 1.00 0.00 H new ATOM 0 HH11 ARG B 34 1.030 1.294 -12.379 1.00 0.00 H new ATOM 0 HH12 ARG B 34 0.408 2.689 -13.267 1.00 0.00 H new ATOM 0 HH21 ARG B 34 1.740 5.062 -11.030 1.00 0.00 H new ATOM 0 HH22 ARG B 34 0.807 4.807 -12.508 1.00 0.00 H new ATOM 1313 N GLN B 35 1.631 -0.095 -4.846 1.00 0.00 N ATOM 1314 CA GLN B 35 0.816 0.183 -3.671 1.00 0.00 C ATOM 1315 C GLN B 35 1.703 0.417 -2.448 1.00 0.00 C ATOM 1316 O GLN B 35 1.307 1.109 -1.510 1.00 0.00 O ATOM 1317 CB GLN B 35 -0.155 -0.971 -3.397 1.00 0.00 C ATOM 1318 CG GLN B 35 -1.010 -1.370 -4.596 1.00 0.00 C ATOM 1319 CD GLN B 35 -1.651 -0.187 -5.300 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -1.778 0.896 -4.732 1.00 0.00 O ATOM 1321 NE2 GLN B 35 -2.062 -0.394 -6.545 1.00 0.00 N ATOM 0 H GLN B 35 1.539 -1.043 -5.210 1.00 0.00 H new ATOM 0 HA GLN B 35 0.238 1.086 -3.868 1.00 0.00 H new ATOM 0 HB2 GLN B 35 0.415 -1.839 -3.067 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -0.812 -0.690 -2.574 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -0.391 -1.916 -5.308 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -1.792 -2.053 -4.264 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -1.937 -1.309 -6.978 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -2.503 0.362 -7.069 1.00 0.00 H new ATOM 1330 N ILE B 36 2.905 -0.156 -2.467 1.00 0.00 N ATOM 1331 CA ILE B 36 3.843 0.001 -1.364 1.00 0.00 C ATOM 1332 C ILE B 36 4.297 1.452 -1.250 1.00 0.00 C ATOM 1333 O ILE B 36 4.168 2.074 -0.196 1.00 0.00 O ATOM 1334 CB ILE B 36 5.076 -0.909 -1.538 1.00 0.00 C ATOM 1335 CG1 ILE B 36 4.644 -2.354 -1.788 1.00 0.00 C ATOM 1336 CG2 ILE B 36 5.982 -0.824 -0.314 1.00 0.00 C ATOM 1337 CD1 ILE B 36 3.945 -2.995 -0.607 1.00 0.00 C ATOM 0 H ILE B 36 3.250 -0.732 -3.235 1.00 0.00 H new ATOM 0 HA ILE B 36 3.323 -0.290 -0.451 1.00 0.00 H new ATOM 0 HB ILE B 36 5.639 -0.564 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE B 36 3.978 -2.380 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE B 36 5.522 -2.947 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE B 36 6.846 -1.473 -0.455 1.00 0.00 H new ATOM 0 HG22 ILE B 36 6.318 0.204 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE B 36 5.430 -1.143 0.570 1.00 0.00 H new ATOM 0 HD11 ILE B 36 3.669 -4.019 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE B 36 4.615 -3.002 0.253 1.00 0.00 H new ATOM 0 HD13 ILE B 36 3.048 -2.427 -0.363 1.00 0.00 H new ATOM 1349 N VAL B 37 4.825 1.984 -2.348 1.00 0.00 N ATOM 1350 CA VAL B 37 5.291 3.363 -2.379 1.00 0.00 C ATOM 1351 C VAL B 37 4.131 4.326 -2.156 1.00 0.00 C ATOM 1352 O VAL B 37 4.269 5.334 -1.463 1.00 0.00 O ATOM 1353 CB VAL B 37 5.975 3.695 -3.720 1.00 0.00 C ATOM 1354 CG1 VAL B 37 6.574 5.093 -3.690 1.00 0.00 C ATOM 1355 CG2 VAL B 37 7.042 2.659 -4.045 1.00 0.00 C ATOM 0 H VAL B 37 4.940 1.480 -3.227 1.00 0.00 H new ATOM 0 HA VAL B 37 6.020 3.477 -1.576 1.00 0.00 H new ATOM 0 HB VAL B 37 5.219 3.668 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL B 37 7.051 5.305 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL B 37 5.785 5.823 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL B 37 7.315 5.154 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL B 37 7.515 2.909 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL B 37 7.794 2.652 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL B 37 6.582 1.673 -4.117 1.00 0.00 H new ATOM 1365 N ASN B 38 2.986 4.001 -2.746 1.00 0.00 N ATOM 1366 CA ASN B 38 1.795 4.830 -2.615 1.00 0.00 C ATOM 1367 C ASN B 38 1.374 4.942 -1.153 1.00 0.00 C ATOM 1368 O ASN B 38 0.824 5.961 -0.734 1.00 0.00 O ATOM 1369 CB ASN B 38 0.649 4.252 -3.445 1.00 0.00 C ATOM 1370 CG ASN B 38 0.614 4.814 -4.852 1.00 0.00 C ATOM 1371 OD1 ASN B 38 0.213 5.956 -5.068 1.00 0.00 O ATOM 1372 ND2 ASN B 38 1.036 4.009 -5.822 1.00 0.00 N ATOM 0 H ASN B 38 2.858 3.168 -3.320 1.00 0.00 H new ATOM 0 HA ASN B 38 2.033 5.827 -2.986 1.00 0.00 H new ATOM 0 HB2 ASN B 38 0.749 3.168 -3.492 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -0.298 4.463 -2.949 1.00 0.00 H new ATOM 0 HD21 ASN B 38 1.035 4.332 -6.789 1.00 0.00 H new ATOM 0 HD22 ASN B 38 1.361 3.068 -5.599 1.00 0.00 H new ATOM 1379 N SER B 39 1.633 3.889 -0.384 1.00 0.00 N ATOM 1380 CA SER B 39 1.281 3.875 1.031 1.00 0.00 C ATOM 1381 C SER B 39 2.207 4.784 1.831 1.00 0.00 C ATOM 1382 O SER B 39 1.798 5.384 2.826 1.00 0.00 O ATOM 1383 CB SER B 39 1.343 2.449 1.582 1.00 0.00 C ATOM 1384 OG SER B 39 1.174 2.437 2.989 1.00 0.00 O ATOM 0 H SER B 39 2.084 3.037 -0.716 1.00 0.00 H new ATOM 0 HA SER B 39 0.262 4.249 1.129 1.00 0.00 H new ATOM 0 HB2 SER B 39 0.568 1.841 1.115 1.00 0.00 H new ATOM 0 HB3 SER B 39 2.301 1.998 1.324 1.00 0.00 H new ATOM 0 HG SER B 39 1.216 1.514 3.316 1.00 0.00 H new ATOM 1390 N CYS B 40 3.458 4.883 1.391 1.00 0.00 N ATOM 1391 CA CYS B 40 4.443 5.719 2.067 1.00 0.00 C ATOM 1392 C CYS B 40 4.090 7.196 1.929 1.00 0.00 C ATOM 1393 O CYS B 40 3.857 7.689 0.826 1.00 0.00 O ATOM 1394 CB CYS B 40 5.839 5.458 1.494 1.00 0.00 C ATOM 1395 SG CYS B 40 7.156 6.392 2.304 1.00 0.00 S ATOM 0 H CYS B 40 3.813 4.394 0.569 1.00 0.00 H new ATOM 0 HA CYS B 40 4.438 5.462 3.126 1.00 0.00 H new ATOM 0 HB2 CYS B 40 6.060 4.394 1.575 1.00 0.00 H new ATOM 0 HB3 CYS B 40 5.835 5.702 0.432 1.00 0.00 H new ATOM 1400 N ALA B 41 4.053 7.899 3.058 1.00 0.00 N ATOM 1401 CA ALA B 41 3.727 9.321 3.064 1.00 0.00 C ATOM 1402 C ALA B 41 4.935 10.167 2.677 1.00 0.00 C ATOM 1403 O ALA B 41 4.825 11.096 1.877 1.00 0.00 O ATOM 1404 CB ALA B 41 3.204 9.735 4.432 1.00 0.00 C ATOM 0 H ALA B 41 4.245 7.507 3.980 1.00 0.00 H new ATOM 0 HA ALA B 41 2.948 9.492 2.321 1.00 0.00 H new ATOM 0 HB1 ALA B 41 2.964 10.798 4.423 1.00 0.00 H new ATOM 0 HB2 ALA B 41 2.307 9.163 4.667 1.00 0.00 H new ATOM 0 HB3 ALA B 41 3.966 9.541 5.187 1.00 0.00 H new ATOM 1410 N GLN B 42 6.091 9.843 3.251 1.00 0.00 N ATOM 1411 CA GLN B 42 7.323 10.576 2.968 1.00 0.00 C ATOM 1412 C GLN B 42 7.653 10.550 1.477 1.00 0.00 C ATOM 1413 O GLN B 42 8.291 11.466 0.957 1.00 0.00 O ATOM 1414 CB GLN B 42 8.486 9.985 3.769 1.00 0.00 C ATOM 1415 CG GLN B 42 8.640 10.589 5.154 1.00 0.00 C ATOM 1416 CD GLN B 42 7.487 10.236 6.075 1.00 0.00 C ATOM 1417 OE1 GLN B 42 6.368 10.710 5.893 1.00 0.00 O ATOM 1418 NE2 GLN B 42 7.760 9.403 7.072 1.00 0.00 N ATOM 0 H GLN B 42 6.201 9.077 3.916 1.00 0.00 H new ATOM 0 HA GLN B 42 7.171 11.614 3.265 1.00 0.00 H new ATOM 0 HB2 GLN B 42 8.340 8.909 3.865 1.00 0.00 H new ATOM 0 HB3 GLN B 42 9.412 10.133 3.212 1.00 0.00 H new ATOM 0 HG2 GLN B 42 9.573 10.241 5.596 1.00 0.00 H new ATOM 0 HG3 GLN B 42 8.713 11.673 5.068 1.00 0.00 H new ATOM 0 HE21 GLN B 42 8.704 9.034 7.184 1.00 0.00 H new ATOM 0 HE22 GLN B 42 7.025 9.132 7.726 1.00 0.00 H new ATOM 1427 N CYS B 43 7.217 9.497 0.792 1.00 0.00 N ATOM 1428 CA CYS B 43 7.468 9.356 -0.638 1.00 0.00 C ATOM 1429 C CYS B 43 6.324 9.951 -1.456 1.00 0.00 C ATOM 1430 O CYS B 43 6.529 10.423 -2.575 1.00 0.00 O ATOM 1431 CB CYS B 43 7.665 7.884 -1.005 1.00 0.00 C ATOM 1432 SG CYS B 43 9.324 7.248 -0.654 1.00 0.00 S ATOM 0 H CYS B 43 6.688 8.729 1.205 1.00 0.00 H new ATOM 0 HA CYS B 43 8.380 9.904 -0.874 1.00 0.00 H new ATOM 0 HB2 CYS B 43 6.935 7.284 -0.461 1.00 0.00 H new ATOM 0 HB3 CYS B 43 7.455 7.755 -2.067 1.00 0.00 H new ATOM 1437 N GLN B 44 5.120 9.927 -0.892 1.00 0.00 N ATOM 1438 CA GLN B 44 3.947 10.467 -1.570 1.00 0.00 C ATOM 1439 C GLN B 44 4.043 11.985 -1.689 1.00 0.00 C ATOM 1440 O GLN B 44 3.860 12.546 -2.771 1.00 0.00 O ATOM 1441 CB GLN B 44 2.670 10.076 -0.817 1.00 0.00 C ATOM 1442 CG GLN B 44 1.938 8.894 -1.432 1.00 0.00 C ATOM 1443 CD GLN B 44 0.502 8.787 -0.957 1.00 0.00 C ATOM 1444 OE1 GLN B 44 -0.431 8.799 -1.759 1.00 0.00 O ATOM 1445 NE2 GLN B 44 0.318 8.684 0.353 1.00 0.00 N ATOM 0 H GLN B 44 4.932 9.539 0.032 1.00 0.00 H new ATOM 0 HA GLN B 44 3.908 10.044 -2.574 1.00 0.00 H new ATOM 0 HB2 GLN B 44 2.926 9.837 0.215 1.00 0.00 H new ATOM 0 HB3 GLN B 44 1.998 10.934 -0.788 1.00 0.00 H new ATOM 0 HG2 GLN B 44 1.952 8.988 -2.518 1.00 0.00 H new ATOM 0 HG3 GLN B 44 2.468 7.974 -1.185 1.00 0.00 H new ATOM 0 HE21 GLN B 44 1.121 8.678 0.982 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -0.626 8.611 0.731 1.00 0.00 H new ATOM 1454 N GLN B 45 4.329 12.646 -0.573 1.00 0.00 N ATOM 1455 CA GLN B 45 4.448 14.099 -0.552 1.00 0.00 C ATOM 1456 C GLN B 45 5.559 14.568 -1.487 1.00 0.00 C ATOM 1457 O GLN B 45 6.672 14.044 -1.457 1.00 0.00 O ATOM 1458 CB GLN B 45 4.725 14.589 0.871 1.00 0.00 C ATOM 1459 CG GLN B 45 3.569 14.352 1.831 1.00 0.00 C ATOM 1460 CD GLN B 45 2.787 15.618 2.124 1.00 0.00 C ATOM 1461 OE1 GLN B 45 2.600 16.462 1.248 1.00 0.00 O ATOM 1462 NE2 GLN B 45 2.326 15.756 3.362 1.00 0.00 N ATOM 0 H GLN B 45 4.483 12.198 0.330 1.00 0.00 H new ATOM 0 HA GLN B 45 3.504 14.520 -0.897 1.00 0.00 H new ATOM 0 HB2 GLN B 45 5.613 14.086 1.253 1.00 0.00 H new ATOM 0 HB3 GLN B 45 4.950 15.655 0.842 1.00 0.00 H new ATOM 0 HG2 GLN B 45 2.898 13.604 1.409 1.00 0.00 H new ATOM 0 HG3 GLN B 45 3.955 13.943 2.765 1.00 0.00 H new ATOM 0 HE21 GLN B 45 2.505 15.031 4.057 1.00 0.00 H new ATOM 0 HE22 GLN B 45 1.793 16.587 3.618 1.00 0.00 H new ATOM 1471 N LYS B 46 5.249 15.559 -2.317 1.00 0.00 N ATOM 1472 CA LYS B 46 6.219 16.100 -3.262 1.00 0.00 C ATOM 1473 C LYS B 46 6.570 17.544 -2.915 1.00 0.00 C ATOM 1474 O LYS B 46 5.971 18.085 -1.962 1.00 0.00 O ATOM 1475 CB LYS B 46 5.672 16.024 -4.688 1.00 0.00 C ATOM 1476 CG LYS B 46 5.546 14.604 -5.218 1.00 0.00 C ATOM 1477 CD LYS B 46 6.849 14.121 -5.834 1.00 0.00 C ATOM 1478 CE LYS B 46 6.609 13.015 -6.849 1.00 0.00 C ATOM 1479 NZ LYS B 46 7.638 13.015 -7.926 1.00 0.00 N ATOM 1480 OXT LYS B 46 7.438 18.121 -3.601 1.00 0.00 O ATOM 0 H LYS B 46 4.332 16.004 -2.354 1.00 0.00 H new ATOM 0 HA LYS B 46 7.126 15.499 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS B 46 4.693 16.502 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS B 46 6.325 16.593 -5.349 1.00 0.00 H new ATOM 0 HG2 LYS B 46 5.257 13.936 -4.407 1.00 0.00 H new ATOM 0 HG3 LYS B 46 4.752 14.562 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS B 46 7.356 14.956 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS B 46 7.512 13.758 -5.048 1.00 0.00 H new ATOM 0 HE2 LYS B 46 6.614 12.050 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS B 46 5.620 13.137 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.438 12.246 -8.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 7.616 13.926 -8.427 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 8.579 12.873 -7.507 1.00 0.00 H new TER 1494 LYS B 46 HETATM 1495 ZN ZN A 147 -14.551 5.884 -9.089 1.00 0.00 ZN HETATM 1496 ZN ZN B 147 9.068 5.845 1.152 1.00 0.00 ZN