USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 419 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 16 THR OG1 : rot -146:sc= 0.756 USER MOD Set 1.2: X 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: X 1 MET N :NH3+ -166:sc= -2.56! (180deg=-3.37!) USER MOD Set 2.2: X 2 GLN : amide:sc= -5.84! C(o=-8.4!,f=-8.7!) USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 3 TYR OH : rot 70:sc= -6.17! USER MOD Single : X 4 LYS NZ :NH3+ -126:sc= -0.737 (180deg=-1.49) USER MOD Single : X 8 ASN : amide:sc= -0.358 K(o=-0.36,f=-1.9!) USER MOD Single : X 10 LYS NZ :NH3+ 168:sc=-0.00403 (180deg=-0.176) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ -139:sc= -0.326 (180deg=-1.42) USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= -0.0826 USER MOD Single : X 25 THR OG1 : rot -5:sc= -0.496 USER MOD Single : X 28 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.152) USER MOD Single : X 31 LYS NZ :NH3+ -173:sc= -6.61! (180deg=-7.14!) USER MOD Single : X 32 GLN : amide:sc= -0.773 K(o=-0.77,f=-0.04) USER MOD Single : X 35 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.5!) USER MOD Single : X 37 ASN : amide:sc= -0.733 K(o=-0.73,f=-7!) USER MOD Single : X 44 THR OG1 : rot 180:sc=-0.00634 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 180:sc= 0 USER MOD Single : X 50 LYS NZ :NH3+ 148:sc= -1.6 (180deg=-3.43!) USER MOD Single : X 51 THR OG1 : rot 81:sc= 0.916 USER MOD Single : X 53 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 12.806 6.035 15.158 1.00 0.00 N ATOM 2 CA MET X 1 13.937 5.169 15.600 1.00 0.00 C ATOM 3 C MET X 1 14.099 4.012 14.621 1.00 0.00 C ATOM 4 O MET X 1 15.097 3.291 14.657 1.00 0.00 O ATOM 5 CB MET X 1 13.648 4.630 17.003 1.00 0.00 C ATOM 6 CG MET X 1 12.447 3.682 16.955 1.00 0.00 C ATOM 7 SD MET X 1 12.969 2.023 17.457 1.00 0.00 S ATOM 8 CE MET X 1 12.905 2.296 19.246 1.00 0.00 C ATOM 0 H1 MET X 1 12.839 6.938 15.672 1.00 0.00 H new ATOM 0 H2 MET X 1 12.885 6.215 14.137 1.00 0.00 H new ATOM 0 H3 MET X 1 11.904 5.556 15.356 1.00 0.00 H new ATOM 0 HA MET X 1 14.859 5.751 15.624 1.00 0.00 H new ATOM 0 HB2 MET X 1 14.522 4.105 17.389 1.00 0.00 H new ATOM 0 HB3 MET X 1 13.445 5.455 17.685 1.00 0.00 H new ATOM 0 HG2 MET X 1 11.659 4.043 17.616 1.00 0.00 H new ATOM 0 HG3 MET X 1 12.031 3.655 15.948 1.00 0.00 H new ATOM 0 HE1 MET X 1 13.195 1.382 19.764 1.00 0.00 H new ATOM 0 HE2 MET X 1 13.590 3.100 19.516 1.00 0.00 H new ATOM 0 HE3 MET X 1 11.891 2.571 19.536 1.00 0.00 H new ATOM 19 N GLN X 2 13.112 3.837 13.750 1.00 0.00 N ATOM 20 CA GLN X 2 13.155 2.763 12.765 1.00 0.00 C ATOM 21 C GLN X 2 13.788 3.254 11.469 1.00 0.00 C ATOM 22 O GLN X 2 13.495 4.353 10.998 1.00 0.00 O ATOM 23 CB GLN X 2 11.742 2.253 12.479 1.00 0.00 C ATOM 24 CG GLN X 2 11.004 3.268 11.604 1.00 0.00 C ATOM 25 CD GLN X 2 11.034 4.641 12.264 1.00 0.00 C ATOM 26 OE1 GLN X 2 11.524 5.604 11.674 1.00 0.00 O ATOM 27 NE2 GLN X 2 10.538 4.791 13.462 1.00 0.00 N ATOM 0 H GLN X 2 12.277 4.421 13.706 1.00 0.00 H new ATOM 0 HA GLN X 2 13.758 1.950 13.171 1.00 0.00 H new ATOM 0 HB2 GLN X 2 11.787 1.287 11.976 1.00 0.00 H new ATOM 0 HB3 GLN X 2 11.202 2.101 13.414 1.00 0.00 H new ATOM 0 HG2 GLN X 2 11.469 3.318 10.619 1.00 0.00 H new ATOM 0 HG3 GLN X 2 9.972 2.950 11.454 1.00 0.00 H new ATOM 0 HE21 GLN X 2 10.132 3.992 13.950 1.00 0.00 H new ATOM 0 HE22 GLN X 2 10.556 5.707 13.910 1.00 0.00 H new ATOM 36 N TYR X 3 14.656 2.428 10.896 1.00 0.00 N ATOM 37 CA TYR X 3 15.325 2.778 9.652 1.00 0.00 C ATOM 38 C TYR X 3 15.092 1.700 8.612 1.00 0.00 C ATOM 39 O TYR X 3 14.901 0.530 8.945 1.00 0.00 O ATOM 40 CB TYR X 3 16.825 2.938 9.891 1.00 0.00 C ATOM 41 CG TYR X 3 17.069 3.017 11.374 1.00 0.00 C ATOM 42 CD1 TYR X 3 16.776 1.916 12.183 1.00 0.00 C ATOM 43 CD2 TYR X 3 17.575 4.191 11.940 1.00 0.00 C ATOM 44 CE1 TYR X 3 16.990 1.986 13.561 1.00 0.00 C ATOM 45 CE2 TYR X 3 17.788 4.262 13.320 1.00 0.00 C ATOM 46 CZ TYR X 3 17.494 3.158 14.129 1.00 0.00 C ATOM 47 OH TYR X 3 17.701 3.227 15.491 1.00 0.00 O ATOM 0 H TYR X 3 14.911 1.515 11.272 1.00 0.00 H new ATOM 0 HA TYR X 3 14.915 3.721 9.290 1.00 0.00 H new ATOM 0 HB2 TYR X 3 17.368 2.096 9.463 1.00 0.00 H new ATOM 0 HB3 TYR X 3 17.193 3.838 9.399 1.00 0.00 H new ATOM 0 HD1 TYR X 3 16.384 1.011 11.743 1.00 0.00 H new ATOM 0 HD2 TYR X 3 17.801 5.041 11.313 1.00 0.00 H new ATOM 0 HE1 TYR X 3 16.766 1.135 14.187 1.00 0.00 H new ATOM 0 HE2 TYR X 3 18.179 5.167 13.761 1.00 0.00 H new ATOM 0 HH TYR X 3 18.459 2.656 15.736 1.00 0.00 H new ATOM 57 N LYS X 4 15.105 2.101 7.350 1.00 0.00 N ATOM 58 CA LYS X 4 14.891 1.156 6.264 1.00 0.00 C ATOM 59 C LYS X 4 16.115 1.096 5.367 1.00 0.00 C ATOM 60 O LYS X 4 16.762 2.110 5.107 1.00 0.00 O ATOM 61 CB LYS X 4 13.669 1.571 5.441 1.00 0.00 C ATOM 62 CG LYS X 4 13.375 0.501 4.386 1.00 0.00 C ATOM 63 CD LYS X 4 12.457 1.085 3.310 1.00 0.00 C ATOM 64 CE LYS X 4 11.658 -0.042 2.654 1.00 0.00 C ATOM 65 NZ LYS X 4 12.594 -1.093 2.162 1.00 0.00 N ATOM 0 H LYS X 4 15.260 3.065 7.054 1.00 0.00 H new ATOM 0 HA LYS X 4 14.718 0.169 6.692 1.00 0.00 H new ATOM 0 HB2 LYS X 4 12.805 1.701 6.093 1.00 0.00 H new ATOM 0 HB3 LYS X 4 13.851 2.531 4.959 1.00 0.00 H new ATOM 0 HG2 LYS X 4 14.305 0.153 3.936 1.00 0.00 H new ATOM 0 HG3 LYS X 4 12.903 -0.364 4.852 1.00 0.00 H new ATOM 0 HD2 LYS X 4 11.780 1.816 3.752 1.00 0.00 H new ATOM 0 HD3 LYS X 4 13.047 1.611 2.560 1.00 0.00 H new ATOM 0 HE2 LYS X 4 10.957 -0.470 3.371 1.00 0.00 H new ATOM 0 HE3 LYS X 4 11.067 0.351 1.826 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 12.415 -1.273 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 13.575 -0.771 2.287 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 12.446 -1.970 2.702 1.00 0.00 H new ATOM 79 N LEU X 5 16.423 -0.101 4.897 1.00 0.00 N ATOM 80 CA LEU X 5 17.569 -0.295 4.028 1.00 0.00 C ATOM 81 C LEU X 5 17.107 -0.712 2.635 1.00 0.00 C ATOM 82 O LEU X 5 16.428 -1.727 2.473 1.00 0.00 O ATOM 83 CB LEU X 5 18.483 -1.370 4.612 1.00 0.00 C ATOM 84 CG LEU X 5 19.946 -0.966 4.411 1.00 0.00 C ATOM 85 CD1 LEU X 5 20.857 -2.108 4.865 1.00 0.00 C ATOM 86 CD2 LEU X 5 20.196 -0.674 2.931 1.00 0.00 C ATOM 0 H LEU X 5 15.897 -0.950 5.102 1.00 0.00 H new ATOM 0 HA LEU X 5 18.118 0.643 3.952 1.00 0.00 H new ATOM 0 HB2 LEU X 5 18.274 -1.501 5.674 1.00 0.00 H new ATOM 0 HB3 LEU X 5 18.290 -2.328 4.128 1.00 0.00 H new ATOM 0 HG LEU X 5 20.160 -0.073 4.999 1.00 0.00 H new ATOM 0 HD11 LEU X 5 21.899 -1.821 4.722 1.00 0.00 H new ATOM 0 HD12 LEU X 5 20.680 -2.317 5.920 1.00 0.00 H new ATOM 0 HD13 LEU X 5 20.643 -3.000 4.277 1.00 0.00 H new ATOM 0 HD21 LEU X 5 21.238 -0.386 2.788 1.00 0.00 H new ATOM 0 HD22 LEU X 5 19.982 -1.566 2.343 1.00 0.00 H new ATOM 0 HD23 LEU X 5 19.547 0.139 2.606 1.00 0.00 H new ATOM 98 N ILE X 6 17.482 0.078 1.634 1.00 0.00 N ATOM 99 CA ILE X 6 17.105 -0.213 0.255 1.00 0.00 C ATOM 100 C ILE X 6 18.337 -0.512 -0.583 1.00 0.00 C ATOM 101 O ILE X 6 19.322 0.225 -0.539 1.00 0.00 O ATOM 102 CB ILE X 6 16.363 0.977 -0.350 1.00 0.00 C ATOM 103 CG1 ILE X 6 14.901 0.926 0.082 1.00 0.00 C ATOM 104 CG2 ILE X 6 16.446 0.909 -1.876 1.00 0.00 C ATOM 105 CD1 ILE X 6 14.117 0.013 -0.863 1.00 0.00 C ATOM 0 H ILE X 6 18.044 0.921 1.751 1.00 0.00 H new ATOM 0 HA ILE X 6 16.453 -1.087 0.258 1.00 0.00 H new ATOM 0 HB ILE X 6 16.817 1.906 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE X 6 14.826 0.557 1.105 1.00 0.00 H new ATOM 0 HG13 ILE X 6 14.474 1.929 0.073 1.00 0.00 H new ATOM 0 HG21 ILE X 6 15.916 1.758 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE X 6 17.491 0.938 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE X 6 15.990 -0.018 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE X 6 13.073 -0.022 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE X 6 14.180 0.401 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE X 6 14.539 -0.992 -0.831 1.00 0.00 H new ATOM 117 N LEU X 7 18.279 -1.592 -1.347 1.00 0.00 N ATOM 118 CA LEU X 7 19.398 -1.971 -2.192 1.00 0.00 C ATOM 119 C LEU X 7 19.029 -1.852 -3.667 1.00 0.00 C ATOM 120 O LEU X 7 18.018 -2.397 -4.113 1.00 0.00 O ATOM 121 CB LEU X 7 19.823 -3.407 -1.881 1.00 0.00 C ATOM 122 CG LEU X 7 20.863 -3.396 -0.760 1.00 0.00 C ATOM 123 CD1 LEU X 7 22.131 -2.693 -1.248 1.00 0.00 C ATOM 124 CD2 LEU X 7 20.302 -2.643 0.448 1.00 0.00 C ATOM 0 H LEU X 7 17.474 -2.217 -1.399 1.00 0.00 H new ATOM 0 HA LEU X 7 20.227 -1.294 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU X 7 18.957 -3.998 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.238 -3.877 -2.773 1.00 0.00 H new ATOM 0 HG LEU X 7 21.099 -4.421 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU X 7 22.873 -2.685 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU X 7 22.533 -3.224 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU X 7 21.892 -1.668 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU X 7 21.043 -2.635 1.248 1.00 0.00 H new ATOM 0 HD22 LEU X 7 20.067 -1.618 0.161 1.00 0.00 H new ATOM 0 HD23 LEU X 7 19.396 -3.139 0.797 1.00 0.00 H new ATOM 136 N ASN X 8 19.860 -1.136 -4.420 1.00 0.00 N ATOM 137 CA ASN X 8 19.623 -0.949 -5.844 1.00 0.00 C ATOM 138 C ASN X 8 20.870 -1.319 -6.636 1.00 0.00 C ATOM 139 O ASN X 8 21.781 -1.963 -6.115 1.00 0.00 O ATOM 140 CB ASN X 8 19.250 0.506 -6.131 1.00 0.00 C ATOM 141 CG ASN X 8 17.855 0.809 -5.594 1.00 0.00 C ATOM 142 OD1 ASN X 8 17.144 -0.098 -5.164 1.00 0.00 O ATOM 143 ND2 ASN X 8 17.420 2.040 -5.597 1.00 0.00 N ATOM 0 H ASN X 8 20.700 -0.678 -4.067 1.00 0.00 H new ATOM 0 HA ASN X 8 18.800 -1.596 -6.146 1.00 0.00 H new ATOM 0 HB2 ASN X 8 19.978 1.173 -5.669 1.00 0.00 H new ATOM 0 HB3 ASN X 8 19.283 0.692 -7.204 1.00 0.00 H new ATOM 0 HD21 ASN X 8 16.488 2.252 -5.242 1.00 0.00 H new ATOM 0 HD22 ASN X 8 18.013 2.789 -5.954 1.00 0.00 H new ATOM 150 N GLY X 9 20.905 -0.904 -7.894 1.00 0.00 N ATOM 151 CA GLY X 9 22.049 -1.195 -8.752 1.00 0.00 C ATOM 152 C GLY X 9 21.590 -1.699 -10.116 1.00 0.00 C ATOM 153 O GLY X 9 20.420 -1.571 -10.474 1.00 0.00 O ATOM 0 H GLY X 9 20.162 -0.369 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY X 9 22.654 -0.297 -8.876 1.00 0.00 H new ATOM 0 HA3 GLY X 9 22.684 -1.944 -8.278 1.00 0.00 H new ATOM 157 N LYS X 10 22.520 -2.269 -10.876 1.00 0.00 N ATOM 158 CA LYS X 10 22.198 -2.786 -12.202 1.00 0.00 C ATOM 159 C LYS X 10 21.411 -4.078 -12.088 1.00 0.00 C ATOM 160 O LYS X 10 20.277 -4.180 -12.556 1.00 0.00 O ATOM 161 CB LYS X 10 23.477 -3.066 -12.997 1.00 0.00 C ATOM 162 CG LYS X 10 24.622 -2.192 -12.474 1.00 0.00 C ATOM 163 CD LYS X 10 24.230 -0.714 -12.568 1.00 0.00 C ATOM 164 CE LYS X 10 25.243 0.135 -11.799 1.00 0.00 C ATOM 165 NZ LYS X 10 26.577 0.031 -12.453 1.00 0.00 N ATOM 0 H LYS X 10 23.495 -2.384 -10.600 1.00 0.00 H new ATOM 0 HA LYS X 10 21.603 -2.032 -12.717 1.00 0.00 H new ATOM 0 HB2 LYS X 10 23.745 -4.119 -12.912 1.00 0.00 H new ATOM 0 HB3 LYS X 10 23.309 -2.864 -14.055 1.00 0.00 H new ATOM 0 HG2 LYS X 10 24.848 -2.453 -11.440 1.00 0.00 H new ATOM 0 HG3 LYS X 10 25.526 -2.376 -13.054 1.00 0.00 H new ATOM 0 HD2 LYS X 10 24.197 -0.402 -13.612 1.00 0.00 H new ATOM 0 HD3 LYS X 10 23.231 -0.566 -12.159 1.00 0.00 H new ATOM 0 HE2 LYS X 10 24.918 1.175 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS X 10 25.306 -0.203 -10.765 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 27.213 0.756 -12.062 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 26.978 -0.912 -12.277 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 26.474 0.177 -13.477 1.00 0.00 H new ATOM 179 N THR X 11 22.038 -5.067 -11.473 1.00 0.00 N ATOM 180 CA THR X 11 21.418 -6.365 -11.304 1.00 0.00 C ATOM 181 C THR X 11 21.341 -6.737 -9.830 1.00 0.00 C ATOM 182 O THR X 11 21.169 -7.905 -9.481 1.00 0.00 O ATOM 183 CB THR X 11 22.237 -7.407 -12.063 1.00 0.00 C ATOM 184 OG1 THR X 11 22.920 -6.773 -13.135 1.00 0.00 O ATOM 185 CG2 THR X 11 21.310 -8.481 -12.617 1.00 0.00 C ATOM 0 H THR X 11 22.978 -4.993 -11.083 1.00 0.00 H new ATOM 0 HA THR X 11 20.402 -6.331 -11.698 1.00 0.00 H new ATOM 0 HB THR X 11 22.958 -7.867 -11.388 1.00 0.00 H new ATOM 0 HG1 THR X 11 23.449 -7.437 -13.624 1.00 0.00 H new ATOM 0 HG21 THR X 11 21.896 -9.224 -13.158 1.00 0.00 H new ATOM 0 HG22 THR X 11 20.781 -8.964 -11.795 1.00 0.00 H new ATOM 0 HG23 THR X 11 20.588 -8.025 -13.294 1.00 0.00 H new ATOM 193 N LEU X 12 21.469 -5.736 -8.967 1.00 0.00 N ATOM 194 CA LEU X 12 21.416 -5.974 -7.532 1.00 0.00 C ATOM 195 C LEU X 12 20.356 -5.096 -6.875 1.00 0.00 C ATOM 196 O LEU X 12 20.557 -3.895 -6.695 1.00 0.00 O ATOM 197 CB LEU X 12 22.779 -5.677 -6.901 1.00 0.00 C ATOM 198 CG LEU X 12 22.888 -6.382 -5.545 1.00 0.00 C ATOM 199 CD1 LEU X 12 21.713 -5.978 -4.653 1.00 0.00 C ATOM 200 CD2 LEU X 12 22.874 -7.900 -5.757 1.00 0.00 C ATOM 0 H LEU X 12 21.609 -4.761 -9.233 1.00 0.00 H new ATOM 0 HA LEU X 12 21.156 -7.020 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU X 12 23.577 -6.015 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU X 12 22.904 -4.602 -6.773 1.00 0.00 H new ATOM 0 HG LEU X 12 23.820 -6.090 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU X 12 21.797 -6.483 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU X 12 21.727 -4.899 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU X 12 20.777 -6.264 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU X 12 22.952 -8.403 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU X 12 21.943 -8.191 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU X 12 23.717 -8.187 -6.385 1.00 0.00 H new ATOM 212 N LYS X 13 19.237 -5.707 -6.498 1.00 0.00 N ATOM 213 CA LYS X 13 18.165 -4.973 -5.836 1.00 0.00 C ATOM 214 C LYS X 13 17.702 -5.726 -4.598 1.00 0.00 C ATOM 215 O LYS X 13 17.577 -6.951 -4.615 1.00 0.00 O ATOM 216 CB LYS X 13 16.970 -4.777 -6.770 1.00 0.00 C ATOM 217 CG LYS X 13 15.718 -4.506 -5.928 1.00 0.00 C ATOM 218 CD LYS X 13 14.636 -3.871 -6.805 1.00 0.00 C ATOM 219 CE LYS X 13 14.324 -4.800 -7.980 1.00 0.00 C ATOM 220 NZ LYS X 13 15.116 -4.380 -9.171 1.00 0.00 N ATOM 0 H LYS X 13 19.050 -6.700 -6.638 1.00 0.00 H new ATOM 0 HA LYS X 13 18.558 -3.996 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS X 13 17.155 -3.944 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS X 13 16.824 -5.664 -7.386 1.00 0.00 H new ATOM 0 HG2 LYS X 13 15.350 -5.436 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS X 13 15.962 -3.843 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS X 13 13.735 -3.693 -6.218 1.00 0.00 H new ATOM 0 HD3 LYS X 13 14.973 -2.902 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS X 13 14.563 -5.830 -7.716 1.00 0.00 H new ATOM 0 HE3 LYS X 13 13.259 -4.769 -8.209 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 14.522 -4.443 -10.023 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 15.438 -3.399 -9.045 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 15.941 -5.004 -9.277 1.00 0.00 H new ATOM 234 N GLY X 14 17.444 -4.990 -3.530 1.00 0.00 N ATOM 235 CA GLY X 14 16.990 -5.600 -2.292 1.00 0.00 C ATOM 236 C GLY X 14 16.375 -4.555 -1.372 1.00 0.00 C ATOM 237 O GLY X 14 16.740 -3.381 -1.415 1.00 0.00 O ATOM 0 H GLY X 14 17.540 -3.975 -3.495 1.00 0.00 H new ATOM 0 HA2 GLY X 14 16.257 -6.376 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY X 14 17.828 -6.085 -1.791 1.00 0.00 H new ATOM 241 N GLU X 15 15.455 -4.997 -0.521 1.00 0.00 N ATOM 242 CA GLU X 15 14.807 -4.102 0.430 1.00 0.00 C ATOM 243 C GLU X 15 14.888 -4.710 1.826 1.00 0.00 C ATOM 244 O GLU X 15 14.717 -5.918 1.993 1.00 0.00 O ATOM 245 CB GLU X 15 13.343 -3.880 0.043 1.00 0.00 C ATOM 246 CG GLU X 15 12.575 -5.199 0.159 1.00 0.00 C ATOM 247 CD GLU X 15 11.224 -5.073 -0.539 1.00 0.00 C ATOM 248 OE1 GLU X 15 10.913 -3.984 -0.994 1.00 0.00 O ATOM 249 OE2 GLU X 15 10.520 -6.067 -0.605 1.00 0.00 O ATOM 0 H GLU X 15 15.142 -5.967 -0.471 1.00 0.00 H new ATOM 0 HA GLU X 15 15.317 -3.139 0.419 1.00 0.00 H new ATOM 0 HB2 GLU X 15 12.895 -3.128 0.693 1.00 0.00 H new ATOM 0 HB3 GLU X 15 13.280 -3.499 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU X 15 13.152 -6.007 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU X 15 12.430 -5.455 1.209 1.00 0.00 H new ATOM 256 N THR X 16 15.171 -3.881 2.825 1.00 0.00 N ATOM 257 CA THR X 16 15.291 -4.381 4.190 1.00 0.00 C ATOM 258 C THR X 16 14.580 -3.477 5.189 1.00 0.00 C ATOM 259 O THR X 16 14.295 -2.314 4.908 1.00 0.00 O ATOM 260 CB THR X 16 16.769 -4.481 4.572 1.00 0.00 C ATOM 261 OG1 THR X 16 17.566 -4.377 3.401 1.00 0.00 O ATOM 262 CG2 THR X 16 17.036 -5.821 5.254 1.00 0.00 C ATOM 0 H THR X 16 15.319 -2.877 2.720 1.00 0.00 H new ATOM 0 HA THR X 16 14.820 -5.364 4.224 1.00 0.00 H new ATOM 0 HB THR X 16 17.021 -3.673 5.259 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.363 -4.939 3.497 1.00 0.00 H new ATOM 0 HG21 THR X 16 18.090 -5.888 5.524 1.00 0.00 H new ATOM 0 HG22 THR X 16 16.425 -5.900 6.153 1.00 0.00 H new ATOM 0 HG23 THR X 16 16.784 -6.633 4.572 1.00 0.00 H new ATOM 270 N THR X 17 14.321 -4.031 6.369 1.00 0.00 N ATOM 271 CA THR X 17 13.667 -3.289 7.439 1.00 0.00 C ATOM 272 C THR X 17 14.267 -3.700 8.780 1.00 0.00 C ATOM 273 O THR X 17 14.374 -4.890 9.080 1.00 0.00 O ATOM 274 CB THR X 17 12.161 -3.574 7.433 1.00 0.00 C ATOM 275 OG1 THR X 17 11.913 -4.782 6.729 1.00 0.00 O ATOM 276 CG2 THR X 17 11.423 -2.421 6.751 1.00 0.00 C ATOM 0 H THR X 17 14.555 -4.995 6.608 1.00 0.00 H new ATOM 0 HA THR X 17 13.822 -2.221 7.283 1.00 0.00 H new ATOM 0 HB THR X 17 11.805 -3.671 8.459 1.00 0.00 H new ATOM 0 HG1 THR X 17 10.951 -4.967 6.726 1.00 0.00 H new ATOM 0 HG21 THR X 17 10.352 -2.626 6.748 1.00 0.00 H new ATOM 0 HG22 THR X 17 11.614 -1.495 7.294 1.00 0.00 H new ATOM 0 HG23 THR X 17 11.776 -2.319 5.725 1.00 0.00 H new ATOM 284 N THR X 18 14.664 -2.718 9.582 1.00 0.00 N ATOM 285 CA THR X 18 15.259 -3.007 10.883 1.00 0.00 C ATOM 286 C THR X 18 14.848 -1.964 11.911 1.00 0.00 C ATOM 287 O THR X 18 14.574 -0.813 11.571 1.00 0.00 O ATOM 288 CB THR X 18 16.784 -3.033 10.772 1.00 0.00 C ATOM 289 OG1 THR X 18 17.162 -3.608 9.528 1.00 0.00 O ATOM 290 CG2 THR X 18 17.365 -3.864 11.917 1.00 0.00 C ATOM 0 H THR X 18 14.586 -1.726 9.359 1.00 0.00 H new ATOM 0 HA THR X 18 14.899 -3.983 11.208 1.00 0.00 H new ATOM 0 HB THR X 18 17.168 -2.015 10.831 1.00 0.00 H new ATOM 0 HG1 THR X 18 18.139 -3.622 9.458 1.00 0.00 H new ATOM 0 HG21 THR X 18 18.452 -3.883 11.838 1.00 0.00 H new ATOM 0 HG22 THR X 18 17.078 -3.421 12.870 1.00 0.00 H new ATOM 0 HG23 THR X 18 16.980 -4.882 11.860 1.00 0.00 H new ATOM 298 N GLU X 19 14.812 -2.377 13.171 1.00 0.00 N ATOM 299 CA GLU X 19 14.435 -1.473 14.249 1.00 0.00 C ATOM 300 C GLU X 19 15.528 -1.424 15.311 1.00 0.00 C ATOM 301 O GLU X 19 16.068 -2.456 15.706 1.00 0.00 O ATOM 302 CB GLU X 19 13.126 -1.937 14.883 1.00 0.00 C ATOM 303 CG GLU X 19 12.224 -0.729 15.123 1.00 0.00 C ATOM 304 CD GLU X 19 10.974 -1.157 15.884 1.00 0.00 C ATOM 305 OE1 GLU X 19 10.684 -2.343 15.888 1.00 0.00 O ATOM 306 OE2 GLU X 19 10.324 -0.295 16.452 1.00 0.00 O ATOM 0 H GLU X 19 15.038 -3.326 13.470 1.00 0.00 H new ATOM 0 HA GLU X 19 14.303 -0.474 13.833 1.00 0.00 H new ATOM 0 HB2 GLU X 19 12.627 -2.654 14.231 1.00 0.00 H new ATOM 0 HB3 GLU X 19 13.326 -2.448 15.825 1.00 0.00 H new ATOM 0 HG2 GLU X 19 12.762 0.031 15.689 1.00 0.00 H new ATOM 0 HG3 GLU X 19 11.944 -0.278 14.171 1.00 0.00 H new ATOM 313 N ALA X 20 15.848 -0.219 15.765 1.00 0.00 N ATOM 314 CA ALA X 20 16.880 -0.049 16.779 1.00 0.00 C ATOM 315 C ALA X 20 16.582 1.154 17.660 1.00 0.00 C ATOM 316 O ALA X 20 15.620 1.886 17.431 1.00 0.00 O ATOM 317 CB ALA X 20 18.242 0.151 16.115 1.00 0.00 C ATOM 0 H ALA X 20 15.412 0.648 15.450 1.00 0.00 H new ATOM 0 HA ALA X 20 16.895 -0.948 17.395 1.00 0.00 H new ATOM 0 HB1 ALA X 20 19.006 0.277 16.882 1.00 0.00 H new ATOM 0 HB2 ALA X 20 18.481 -0.720 15.505 1.00 0.00 H new ATOM 0 HB3 ALA X 20 18.212 1.039 15.484 1.00 0.00 H new ATOM 323 N VAL X 21 17.431 1.357 18.657 1.00 0.00 N ATOM 324 CA VAL X 21 17.277 2.483 19.564 1.00 0.00 C ATOM 325 C VAL X 21 17.625 3.769 18.840 1.00 0.00 C ATOM 326 O VAL X 21 16.987 4.803 19.034 1.00 0.00 O ATOM 327 CB VAL X 21 18.212 2.316 20.756 1.00 0.00 C ATOM 328 CG1 VAL X 21 17.921 3.401 21.794 1.00 0.00 C ATOM 329 CG2 VAL X 21 17.992 0.939 21.384 1.00 0.00 C ATOM 0 H VAL X 21 18.232 0.758 18.857 1.00 0.00 H new ATOM 0 HA VAL X 21 16.245 2.522 19.911 1.00 0.00 H new ATOM 0 HB VAL X 21 19.245 2.405 20.421 1.00 0.00 H new ATOM 0 HG11 VAL X 21 18.591 3.279 22.645 1.00 0.00 H new ATOM 0 HG12 VAL X 21 18.077 4.383 21.347 1.00 0.00 H new ATOM 0 HG13 VAL X 21 16.888 3.315 22.130 1.00 0.00 H new ATOM 0 HG21 VAL X 21 18.660 0.817 22.237 1.00 0.00 H new ATOM 0 HG22 VAL X 21 16.958 0.852 21.717 1.00 0.00 H new ATOM 0 HG23 VAL X 21 18.201 0.165 20.646 1.00 0.00 H new ATOM 339 N ASP X 22 18.648 3.688 18.003 1.00 0.00 N ATOM 340 CA ASP X 22 19.094 4.840 17.243 1.00 0.00 C ATOM 341 C ASP X 22 19.802 4.385 15.981 1.00 0.00 C ATOM 342 O ASP X 22 20.094 3.201 15.809 1.00 0.00 O ATOM 343 CB ASP X 22 20.050 5.685 18.082 1.00 0.00 C ATOM 344 CG ASP X 22 21.349 4.921 18.316 1.00 0.00 C ATOM 345 OD1 ASP X 22 22.185 4.928 17.428 1.00 0.00 O ATOM 346 OD2 ASP X 22 21.488 4.339 19.379 1.00 0.00 O ATOM 0 H ASP X 22 19.183 2.836 17.835 1.00 0.00 H new ATOM 0 HA ASP X 22 18.224 5.439 16.975 1.00 0.00 H new ATOM 0 HB2 ASP X 22 20.258 6.627 17.574 1.00 0.00 H new ATOM 0 HB3 ASP X 22 19.587 5.934 19.037 1.00 0.00 H new ATOM 351 N ALA X 23 20.077 5.337 15.096 1.00 0.00 N ATOM 352 CA ALA X 23 20.755 5.029 13.845 1.00 0.00 C ATOM 353 C ALA X 23 22.220 4.704 14.095 1.00 0.00 C ATOM 354 O ALA X 23 22.829 3.934 13.354 1.00 0.00 O ATOM 355 CB ALA X 23 20.644 6.213 12.886 1.00 0.00 C ATOM 0 H ALA X 23 19.842 6.322 15.221 1.00 0.00 H new ATOM 0 HA ALA X 23 20.276 4.157 13.399 1.00 0.00 H new ATOM 0 HB1 ALA X 23 21.154 5.974 11.953 1.00 0.00 H new ATOM 0 HB2 ALA X 23 19.593 6.419 12.683 1.00 0.00 H new ATOM 0 HB3 ALA X 23 21.106 7.091 13.337 1.00 0.00 H new ATOM 361 N ALA X 24 22.785 5.288 15.147 1.00 0.00 N ATOM 362 CA ALA X 24 24.179 5.035 15.473 1.00 0.00 C ATOM 363 C ALA X 24 24.388 3.537 15.629 1.00 0.00 C ATOM 364 O ALA X 24 25.411 2.993 15.210 1.00 0.00 O ATOM 365 CB ALA X 24 24.557 5.750 16.773 1.00 0.00 C ATOM 0 H ALA X 24 22.306 5.930 15.778 1.00 0.00 H new ATOM 0 HA ALA X 24 24.812 5.414 14.671 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.603 5.552 17.006 1.00 0.00 H new ATOM 0 HB2 ALA X 24 24.408 6.823 16.655 1.00 0.00 H new ATOM 0 HB3 ALA X 24 23.929 5.384 17.585 1.00 0.00 H new ATOM 371 N THR X 25 23.398 2.873 16.213 1.00 0.00 N ATOM 372 CA THR X 25 23.464 1.431 16.396 1.00 0.00 C ATOM 373 C THR X 25 23.177 0.729 15.074 1.00 0.00 C ATOM 374 O THR X 25 23.871 -0.213 14.691 1.00 0.00 O ATOM 375 CB THR X 25 22.444 0.987 17.447 1.00 0.00 C ATOM 376 OG1 THR X 25 21.196 1.612 17.187 1.00 0.00 O ATOM 377 CG2 THR X 25 22.936 1.385 18.839 1.00 0.00 C ATOM 0 H THR X 25 22.545 3.308 16.566 1.00 0.00 H new ATOM 0 HA THR X 25 24.464 1.164 16.737 1.00 0.00 H new ATOM 0 HB THR X 25 22.325 -0.096 17.403 1.00 0.00 H new ATOM 0 HG1 THR X 25 21.297 2.249 16.449 1.00 0.00 H new ATOM 0 HG21 THR X 25 22.209 1.068 19.586 1.00 0.00 H new ATOM 0 HG22 THR X 25 23.894 0.904 19.038 1.00 0.00 H new ATOM 0 HG23 THR X 25 23.057 2.467 18.886 1.00 0.00 H new ATOM 385 N ALA X 26 22.147 1.203 14.383 1.00 0.00 N ATOM 386 CA ALA X 26 21.761 0.629 13.100 1.00 0.00 C ATOM 387 C ALA X 26 22.849 0.875 12.057 1.00 0.00 C ATOM 388 O ALA X 26 23.094 0.039 11.189 1.00 0.00 O ATOM 389 CB ALA X 26 20.448 1.253 12.624 1.00 0.00 C ATOM 0 H ALA X 26 21.565 1.982 14.689 1.00 0.00 H new ATOM 0 HA ALA X 26 21.628 -0.445 13.227 1.00 0.00 H new ATOM 0 HB1 ALA X 26 20.166 0.819 11.665 1.00 0.00 H new ATOM 0 HB2 ALA X 26 19.665 1.055 13.356 1.00 0.00 H new ATOM 0 HB3 ALA X 26 20.576 2.330 12.512 1.00 0.00 H new ATOM 395 N GLU X 27 23.479 2.042 12.136 1.00 0.00 N ATOM 396 CA GLU X 27 24.521 2.421 11.184 1.00 0.00 C ATOM 397 C GLU X 27 25.624 1.376 11.089 1.00 0.00 C ATOM 398 O GLU X 27 26.057 1.022 9.993 1.00 0.00 O ATOM 399 CB GLU X 27 25.143 3.747 11.615 1.00 0.00 C ATOM 400 CG GLU X 27 26.295 4.099 10.672 1.00 0.00 C ATOM 401 CD GLU X 27 26.620 5.586 10.781 1.00 0.00 C ATOM 402 OE1 GLU X 27 25.731 6.385 10.538 1.00 0.00 O ATOM 403 OE2 GLU X 27 27.753 5.902 11.107 1.00 0.00 O ATOM 0 H GLU X 27 23.287 2.744 12.850 1.00 0.00 H new ATOM 0 HA GLU X 27 24.050 2.508 10.205 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.391 4.536 11.599 1.00 0.00 H new ATOM 0 HB3 GLU X 27 25.507 3.674 12.640 1.00 0.00 H new ATOM 0 HG2 GLU X 27 27.175 3.506 10.922 1.00 0.00 H new ATOM 0 HG3 GLU X 27 26.025 3.851 9.645 1.00 0.00 H new ATOM 410 N LYS X 28 26.091 0.892 12.232 1.00 0.00 N ATOM 411 CA LYS X 28 27.158 -0.099 12.239 1.00 0.00 C ATOM 412 C LYS X 28 26.695 -1.400 11.589 1.00 0.00 C ATOM 413 O LYS X 28 27.389 -1.964 10.743 1.00 0.00 O ATOM 414 CB LYS X 28 27.596 -0.365 13.677 1.00 0.00 C ATOM 415 CG LYS X 28 27.996 0.954 14.341 1.00 0.00 C ATOM 416 CD LYS X 28 29.472 1.243 14.058 1.00 0.00 C ATOM 417 CE LYS X 28 29.642 2.718 13.686 1.00 0.00 C ATOM 418 NZ LYS X 28 29.198 3.570 14.826 1.00 0.00 N ATOM 0 H LYS X 28 25.753 1.165 13.155 1.00 0.00 H new ATOM 0 HA LYS X 28 27.999 0.290 11.665 1.00 0.00 H new ATOM 0 HB2 LYS X 28 26.785 -0.834 14.235 1.00 0.00 H new ATOM 0 HB3 LYS X 28 28.435 -1.060 13.690 1.00 0.00 H new ATOM 0 HG2 LYS X 28 27.376 1.767 13.962 1.00 0.00 H new ATOM 0 HG3 LYS X 28 27.825 0.898 15.416 1.00 0.00 H new ATOM 0 HD2 LYS X 28 30.074 1.007 14.935 1.00 0.00 H new ATOM 0 HD3 LYS X 28 29.828 0.609 13.246 1.00 0.00 H new ATOM 0 HE2 LYS X 28 30.685 2.926 13.446 1.00 0.00 H new ATOM 0 HE3 LYS X 28 29.058 2.950 12.795 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 29.541 4.542 14.687 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 28.159 3.573 14.873 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 29.584 3.190 15.714 1.00 0.00 H new ATOM 432 N VAL X 29 25.514 -1.861 11.980 1.00 0.00 N ATOM 433 CA VAL X 29 24.960 -3.087 11.422 1.00 0.00 C ATOM 434 C VAL X 29 24.546 -2.881 9.967 1.00 0.00 C ATOM 435 O VAL X 29 24.681 -3.779 9.139 1.00 0.00 O ATOM 436 CB VAL X 29 23.775 -3.585 12.273 1.00 0.00 C ATOM 437 CG1 VAL X 29 23.517 -2.617 13.428 1.00 0.00 C ATOM 438 CG2 VAL X 29 22.510 -3.728 11.420 1.00 0.00 C ATOM 0 H VAL X 29 24.924 -1.407 12.678 1.00 0.00 H new ATOM 0 HA VAL X 29 25.734 -3.854 11.443 1.00 0.00 H new ATOM 0 HB VAL X 29 24.031 -4.565 12.674 1.00 0.00 H new ATOM 0 HG11 VAL X 29 22.678 -2.977 14.024 1.00 0.00 H new ATOM 0 HG12 VAL X 29 24.406 -2.553 14.055 1.00 0.00 H new ATOM 0 HG13 VAL X 29 23.282 -1.630 13.030 1.00 0.00 H new ATOM 0 HG21 VAL X 29 21.689 -4.081 12.044 1.00 0.00 H new ATOM 0 HG22 VAL X 29 22.250 -2.761 10.990 1.00 0.00 H new ATOM 0 HG23 VAL X 29 22.691 -4.444 10.619 1.00 0.00 H new ATOM 448 N PHE X 30 24.035 -1.691 9.663 1.00 0.00 N ATOM 449 CA PHE X 30 23.601 -1.382 8.304 1.00 0.00 C ATOM 450 C PHE X 30 24.759 -1.530 7.327 1.00 0.00 C ATOM 451 O PHE X 30 24.609 -2.111 6.252 1.00 0.00 O ATOM 452 CB PHE X 30 23.093 0.055 8.242 1.00 0.00 C ATOM 453 CG PHE X 30 21.585 0.071 8.261 1.00 0.00 C ATOM 454 CD1 PHE X 30 20.890 -0.498 9.334 1.00 0.00 C ATOM 455 CD2 PHE X 30 20.881 0.663 7.206 1.00 0.00 C ATOM 456 CE1 PHE X 30 19.491 -0.478 9.352 1.00 0.00 C ATOM 457 CE2 PHE X 30 19.481 0.683 7.224 1.00 0.00 C ATOM 458 CZ PHE X 30 18.786 0.112 8.297 1.00 0.00 C ATOM 0 H PHE X 30 23.912 -0.931 10.332 1.00 0.00 H new ATOM 0 HA PHE X 30 22.806 -2.076 8.031 1.00 0.00 H new ATOM 0 HB2 PHE X 30 23.481 0.623 9.087 1.00 0.00 H new ATOM 0 HB3 PHE X 30 23.459 0.540 7.337 1.00 0.00 H new ATOM 0 HD1 PHE X 30 21.434 -0.953 10.149 1.00 0.00 H new ATOM 0 HD2 PHE X 30 21.417 1.104 6.379 1.00 0.00 H new ATOM 0 HE1 PHE X 30 18.955 -0.918 10.180 1.00 0.00 H new ATOM 0 HE2 PHE X 30 18.937 1.139 6.410 1.00 0.00 H new ATOM 0 HZ PHE X 30 17.706 0.127 8.310 1.00 0.00 H new ATOM 468 N LYS X 31 25.911 -0.998 7.709 1.00 0.00 N ATOM 469 CA LYS X 31 27.087 -1.077 6.857 1.00 0.00 C ATOM 470 C LYS X 31 27.417 -2.534 6.567 1.00 0.00 C ATOM 471 O LYS X 31 27.951 -2.863 5.507 1.00 0.00 O ATOM 472 CB LYS X 31 28.272 -0.393 7.540 1.00 0.00 C ATOM 473 CG LYS X 31 27.849 1.002 8.012 1.00 0.00 C ATOM 474 CD LYS X 31 28.582 2.066 7.192 1.00 0.00 C ATOM 475 CE LYS X 31 27.836 3.397 7.297 1.00 0.00 C ATOM 476 NZ LYS X 31 28.079 3.998 8.639 1.00 0.00 N ATOM 0 H LYS X 31 26.056 -0.512 8.594 1.00 0.00 H new ATOM 0 HA LYS X 31 26.882 -0.567 5.916 1.00 0.00 H new ATOM 0 HB2 LYS X 31 28.611 -0.989 8.387 1.00 0.00 H new ATOM 0 HB3 LYS X 31 29.111 -0.316 6.848 1.00 0.00 H new ATOM 0 HG2 LYS X 31 26.771 1.123 7.902 1.00 0.00 H new ATOM 0 HG3 LYS X 31 28.077 1.123 9.071 1.00 0.00 H new ATOM 0 HD2 LYS X 31 29.603 2.180 7.555 1.00 0.00 H new ATOM 0 HD3 LYS X 31 28.647 1.755 6.149 1.00 0.00 H new ATOM 0 HE2 LYS X 31 28.173 4.078 6.515 1.00 0.00 H new ATOM 0 HE3 LYS X 31 26.768 3.241 7.145 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 27.480 4.840 8.756 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 27.847 3.303 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 29.079 4.270 8.721 1.00 0.00 H new ATOM 490 N GLN X 32 27.085 -3.406 7.514 1.00 0.00 N ATOM 491 CA GLN X 32 27.337 -4.827 7.344 1.00 0.00 C ATOM 492 C GLN X 32 26.445 -5.395 6.250 1.00 0.00 C ATOM 493 O GLN X 32 26.822 -6.335 5.549 1.00 0.00 O ATOM 494 CB GLN X 32 27.088 -5.584 8.650 1.00 0.00 C ATOM 495 CG GLN X 32 27.355 -7.075 8.427 1.00 0.00 C ATOM 496 CD GLN X 32 27.868 -7.710 9.714 1.00 0.00 C ATOM 497 OE1 GLN X 32 28.543 -8.739 9.674 1.00 0.00 O ATOM 498 NE2 GLN X 32 27.587 -7.156 10.861 1.00 0.00 N ATOM 0 H GLN X 32 26.645 -3.154 8.399 1.00 0.00 H new ATOM 0 HA GLN X 32 28.382 -4.951 7.059 1.00 0.00 H new ATOM 0 HB2 GLN X 32 27.738 -5.200 9.436 1.00 0.00 H new ATOM 0 HB3 GLN X 32 26.061 -5.432 8.982 1.00 0.00 H new ATOM 0 HG2 GLN X 32 26.440 -7.573 8.106 1.00 0.00 H new ATOM 0 HG3 GLN X 32 28.087 -7.207 7.630 1.00 0.00 H new ATOM 0 HE21 GLN X 32 27.028 -6.304 10.892 1.00 0.00 H new ATOM 0 HE22 GLN X 32 27.927 -7.575 11.727 1.00 0.00 H new ATOM 507 N TYR X 33 25.257 -4.816 6.108 1.00 0.00 N ATOM 508 CA TYR X 33 24.315 -5.271 5.096 1.00 0.00 C ATOM 509 C TYR X 33 24.943 -5.163 3.712 1.00 0.00 C ATOM 510 O TYR X 33 24.872 -6.097 2.913 1.00 0.00 O ATOM 511 CB TYR X 33 23.048 -4.418 5.153 1.00 0.00 C ATOM 512 CG TYR X 33 21.923 -5.134 4.449 1.00 0.00 C ATOM 513 CD1 TYR X 33 21.741 -4.968 3.072 1.00 0.00 C ATOM 514 CD2 TYR X 33 21.058 -5.961 5.175 1.00 0.00 C ATOM 515 CE1 TYR X 33 20.694 -5.628 2.420 1.00 0.00 C ATOM 516 CE2 TYR X 33 20.010 -6.621 4.524 1.00 0.00 C ATOM 517 CZ TYR X 33 19.827 -6.455 3.146 1.00 0.00 C ATOM 518 OH TYR X 33 18.794 -7.105 2.503 1.00 0.00 O ATOM 0 H TYR X 33 24.927 -4.037 6.677 1.00 0.00 H new ATOM 0 HA TYR X 33 24.060 -6.313 5.290 1.00 0.00 H new ATOM 0 HB2 TYR X 33 22.775 -4.223 6.190 1.00 0.00 H new ATOM 0 HB3 TYR X 33 23.227 -3.451 4.683 1.00 0.00 H new ATOM 0 HD1 TYR X 33 22.409 -4.330 2.512 1.00 0.00 H new ATOM 0 HD2 TYR X 33 21.200 -6.090 6.238 1.00 0.00 H new ATOM 0 HE1 TYR X 33 20.554 -5.500 1.357 1.00 0.00 H new ATOM 0 HE2 TYR X 33 19.342 -7.258 5.085 1.00 0.00 H new ATOM 0 HH TYR X 33 18.289 -7.638 3.152 1.00 0.00 H new ATOM 528 N ALA X 34 25.573 -4.026 3.443 1.00 0.00 N ATOM 529 CA ALA X 34 26.229 -3.817 2.159 1.00 0.00 C ATOM 530 C ALA X 34 27.426 -4.752 2.038 1.00 0.00 C ATOM 531 O ALA X 34 27.635 -5.385 1.004 1.00 0.00 O ATOM 532 CB ALA X 34 26.699 -2.367 2.040 1.00 0.00 C ATOM 0 H ALA X 34 25.643 -3.241 4.091 1.00 0.00 H new ATOM 0 HA ALA X 34 25.519 -4.028 1.359 1.00 0.00 H new ATOM 0 HB1 ALA X 34 27.188 -2.221 1.077 1.00 0.00 H new ATOM 0 HB2 ALA X 34 25.841 -1.699 2.116 1.00 0.00 H new ATOM 0 HB3 ALA X 34 27.403 -2.146 2.842 1.00 0.00 H new ATOM 538 N ASN X 35 28.200 -4.835 3.114 1.00 0.00 N ATOM 539 CA ASN X 35 29.372 -5.700 3.138 1.00 0.00 C ATOM 540 C ASN X 35 28.944 -7.160 3.051 1.00 0.00 C ATOM 541 O ASN X 35 29.554 -7.955 2.335 1.00 0.00 O ATOM 542 CB ASN X 35 30.161 -5.472 4.430 1.00 0.00 C ATOM 543 CG ASN X 35 31.567 -6.047 4.292 1.00 0.00 C ATOM 544 OD1 ASN X 35 31.868 -6.728 3.312 1.00 0.00 O ATOM 545 ND2 ASN X 35 32.451 -5.812 5.223 1.00 0.00 N ATOM 0 H ASN X 35 28.038 -4.316 3.977 1.00 0.00 H new ATOM 0 HA ASN X 35 30.005 -5.461 2.283 1.00 0.00 H new ATOM 0 HB2 ASN X 35 30.215 -4.406 4.649 1.00 0.00 H new ATOM 0 HB3 ASN X 35 29.647 -5.944 5.268 1.00 0.00 H new ATOM 0 HD21 ASN X 35 33.393 -6.193 5.139 1.00 0.00 H new ATOM 0 HD22 ASN X 35 32.199 -5.247 6.034 1.00 0.00 H new ATOM 552 N ASP X 36 27.881 -7.503 3.776 1.00 0.00 N ATOM 553 CA ASP X 36 27.370 -8.868 3.766 1.00 0.00 C ATOM 554 C ASP X 36 26.848 -9.207 2.377 1.00 0.00 C ATOM 555 O ASP X 36 26.897 -10.357 1.941 1.00 0.00 O ATOM 556 CB ASP X 36 26.242 -9.015 4.790 1.00 0.00 C ATOM 557 CG ASP X 36 26.823 -9.331 6.163 1.00 0.00 C ATOM 558 OD1 ASP X 36 28.017 -9.149 6.336 1.00 0.00 O ATOM 559 OD2 ASP X 36 26.066 -9.752 7.023 1.00 0.00 O ATOM 0 H ASP X 36 27.362 -6.859 4.373 1.00 0.00 H new ATOM 0 HA ASP X 36 28.177 -9.552 4.028 1.00 0.00 H new ATOM 0 HB2 ASP X 36 25.659 -8.095 4.836 1.00 0.00 H new ATOM 0 HB3 ASP X 36 25.561 -9.809 4.482 1.00 0.00 H new ATOM 564 N ASN X 37 26.359 -8.185 1.688 1.00 0.00 N ATOM 565 CA ASN X 37 25.832 -8.334 0.339 1.00 0.00 C ATOM 566 C ASN X 37 26.737 -7.580 -0.626 1.00 0.00 C ATOM 567 O ASN X 37 26.269 -6.750 -1.404 1.00 0.00 O ATOM 568 CB ASN X 37 24.408 -7.781 0.263 1.00 0.00 C ATOM 569 CG ASN X 37 23.487 -8.591 1.169 1.00 0.00 C ATOM 570 OD1 ASN X 37 23.919 -9.083 2.213 1.00 0.00 O ATOM 571 ND2 ASN X 37 22.237 -8.759 0.834 1.00 0.00 N ATOM 0 H ASN X 37 26.317 -7.231 2.048 1.00 0.00 H new ATOM 0 HA ASN X 37 25.804 -9.390 0.071 1.00 0.00 H new ATOM 0 HB2 ASN X 37 24.399 -6.733 0.564 1.00 0.00 H new ATOM 0 HB3 ASN X 37 24.048 -7.820 -0.765 1.00 0.00 H new ATOM 0 HD21 ASN X 37 21.616 -9.298 1.437 1.00 0.00 H new ATOM 0 HD22 ASN X 37 21.881 -8.351 -0.031 1.00 0.00 H new ATOM 578 N GLY X 38 28.034 -7.885 -0.563 1.00 0.00 N ATOM 579 CA GLY X 38 29.033 -7.247 -1.423 1.00 0.00 C ATOM 580 C GLY X 38 28.427 -6.170 -2.315 1.00 0.00 C ATOM 581 O GLY X 38 28.507 -6.255 -3.540 1.00 0.00 O ATOM 0 H GLY X 38 28.420 -8.576 0.080 1.00 0.00 H new ATOM 0 HA2 GLY X 38 29.813 -6.805 -0.803 1.00 0.00 H new ATOM 0 HA3 GLY X 38 29.510 -8.004 -2.045 1.00 0.00 H new ATOM 585 N VAL X 39 27.820 -5.158 -1.702 1.00 0.00 N ATOM 586 CA VAL X 39 27.210 -4.081 -2.469 1.00 0.00 C ATOM 587 C VAL X 39 28.150 -2.886 -2.567 1.00 0.00 C ATOM 588 O VAL X 39 28.711 -2.439 -1.567 1.00 0.00 O ATOM 589 CB VAL X 39 25.899 -3.639 -1.814 1.00 0.00 C ATOM 590 CG1 VAL X 39 25.482 -2.280 -2.380 1.00 0.00 C ATOM 591 CG2 VAL X 39 24.802 -4.670 -2.104 1.00 0.00 C ATOM 0 H VAL X 39 27.739 -5.063 -0.690 1.00 0.00 H new ATOM 0 HA VAL X 39 27.008 -4.457 -3.472 1.00 0.00 H new ATOM 0 HB VAL X 39 26.043 -3.559 -0.736 1.00 0.00 H new ATOM 0 HG11 VAL X 39 24.548 -1.963 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL X 39 26.259 -1.545 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL X 39 25.341 -2.363 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL X 39 23.871 -4.352 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL X 39 24.657 -4.754 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL X 39 25.098 -5.639 -1.701 1.00 0.00 H new ATOM 601 N ASP X 40 28.302 -2.365 -3.778 1.00 0.00 N ATOM 602 CA ASP X 40 29.162 -1.209 -3.997 1.00 0.00 C ATOM 603 C ASP X 40 28.389 -0.105 -4.707 1.00 0.00 C ATOM 604 O ASP X 40 28.094 -0.209 -5.898 1.00 0.00 O ATOM 605 CB ASP X 40 30.374 -1.612 -4.840 1.00 0.00 C ATOM 606 CG ASP X 40 29.948 -1.858 -6.282 1.00 0.00 C ATOM 607 OD1 ASP X 40 28.882 -2.418 -6.478 1.00 0.00 O ATOM 608 OD2 ASP X 40 30.696 -1.483 -7.172 1.00 0.00 O ATOM 0 H ASP X 40 27.845 -2.721 -4.618 1.00 0.00 H new ATOM 0 HA ASP X 40 29.503 -0.839 -3.030 1.00 0.00 H new ATOM 0 HB2 ASP X 40 31.129 -0.827 -4.804 1.00 0.00 H new ATOM 0 HB3 ASP X 40 30.830 -2.512 -4.428 1.00 0.00 H new ATOM 613 N GLY X 41 28.057 0.950 -3.971 1.00 0.00 N ATOM 614 CA GLY X 41 27.310 2.061 -4.547 1.00 0.00 C ATOM 615 C GLY X 41 27.516 3.335 -3.749 1.00 0.00 C ATOM 616 O GLY X 41 28.536 3.508 -3.081 1.00 0.00 O ATOM 0 H GLY X 41 28.291 1.059 -2.984 1.00 0.00 H new ATOM 0 HA2 GLY X 41 27.627 2.220 -5.578 1.00 0.00 H new ATOM 0 HA3 GLY X 41 26.249 1.814 -4.574 1.00 0.00 H new ATOM 620 N GLU X 42 26.525 4.212 -3.803 1.00 0.00 N ATOM 621 CA GLU X 42 26.585 5.458 -3.065 1.00 0.00 C ATOM 622 C GLU X 42 25.710 5.338 -1.830 1.00 0.00 C ATOM 623 O GLU X 42 24.645 4.721 -1.872 1.00 0.00 O ATOM 624 CB GLU X 42 26.106 6.619 -3.938 1.00 0.00 C ATOM 625 CG GLU X 42 26.651 7.936 -3.381 1.00 0.00 C ATOM 626 CD GLU X 42 26.108 9.109 -4.188 1.00 0.00 C ATOM 627 OE1 GLU X 42 25.432 8.863 -5.173 1.00 0.00 O ATOM 628 OE2 GLU X 42 26.375 10.238 -3.809 1.00 0.00 O ATOM 0 H GLU X 42 25.673 4.082 -4.349 1.00 0.00 H new ATOM 0 HA GLU X 42 27.615 5.657 -2.770 1.00 0.00 H new ATOM 0 HB2 GLU X 42 26.444 6.479 -4.965 1.00 0.00 H new ATOM 0 HB3 GLU X 42 25.017 6.645 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU X 42 26.367 8.042 -2.334 1.00 0.00 H new ATOM 0 HG3 GLU X 42 27.740 7.932 -3.417 1.00 0.00 H new ATOM 635 N TRP X 43 26.160 5.919 -0.735 1.00 0.00 N ATOM 636 CA TRP X 43 25.400 5.852 0.496 1.00 0.00 C ATOM 637 C TRP X 43 24.878 7.230 0.884 1.00 0.00 C ATOM 638 O TRP X 43 25.560 8.239 0.702 1.00 0.00 O ATOM 639 CB TRP X 43 26.267 5.306 1.627 1.00 0.00 C ATOM 640 CG TRP X 43 25.437 4.415 2.484 1.00 0.00 C ATOM 641 CD1 TRP X 43 24.341 4.801 3.173 1.00 0.00 C ATOM 642 CD2 TRP X 43 25.606 2.997 2.743 1.00 0.00 C ATOM 643 NE1 TRP X 43 23.831 3.707 3.849 1.00 0.00 N ATOM 644 CE2 TRP X 43 24.577 2.569 3.612 1.00 0.00 C ATOM 645 CE3 TRP X 43 26.548 2.052 2.311 1.00 0.00 C ATOM 646 CZ2 TRP X 43 24.485 1.246 4.040 1.00 0.00 C ATOM 647 CZ3 TRP X 43 26.459 0.722 2.736 1.00 0.00 C ATOM 648 CH2 TRP X 43 25.431 0.316 3.599 1.00 0.00 C ATOM 0 H TRP X 43 27.037 6.436 -0.673 1.00 0.00 H new ATOM 0 HA TRP X 43 24.554 5.184 0.332 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.115 4.755 1.220 1.00 0.00 H new ATOM 0 HB3 TRP X 43 26.675 6.126 2.219 1.00 0.00 H new ATOM 0 HD1 TRP X 43 23.930 5.800 3.193 1.00 0.00 H new ATOM 0 HE1 TRP X 43 23.006 3.737 4.448 1.00 0.00 H new ATOM 0 HE3 TRP X 43 27.345 2.352 1.647 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 23.691 0.942 4.706 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 27.188 0.002 2.396 1.00 0.00 H new ATOM 0 HH2 TRP X 43 25.370 -0.713 3.922 1.00 0.00 H new ATOM 659 N THR X 44 23.665 7.263 1.423 1.00 0.00 N ATOM 660 CA THR X 44 23.056 8.519 1.839 1.00 0.00 C ATOM 661 C THR X 44 22.561 8.418 3.276 1.00 0.00 C ATOM 662 O THR X 44 22.174 7.342 3.735 1.00 0.00 O ATOM 663 CB THR X 44 21.882 8.861 0.921 1.00 0.00 C ATOM 664 OG1 THR X 44 20.992 9.736 1.599 1.00 0.00 O ATOM 665 CG2 THR X 44 21.144 7.578 0.535 1.00 0.00 C ATOM 0 H THR X 44 23.086 6.438 1.581 1.00 0.00 H new ATOM 0 HA THR X 44 23.808 9.305 1.775 1.00 0.00 H new ATOM 0 HB THR X 44 22.255 9.348 0.020 1.00 0.00 H new ATOM 0 HG1 THR X 44 20.240 9.957 1.011 1.00 0.00 H new ATOM 0 HG21 THR X 44 20.307 7.822 -0.119 1.00 0.00 H new ATOM 0 HG22 THR X 44 21.828 6.907 0.015 1.00 0.00 H new ATOM 0 HG23 THR X 44 20.770 7.089 1.434 1.00 0.00 H new ATOM 673 N TYR X 45 22.571 9.542 3.982 1.00 0.00 N ATOM 674 CA TYR X 45 22.116 9.563 5.365 1.00 0.00 C ATOM 675 C TYR X 45 21.260 10.798 5.626 1.00 0.00 C ATOM 676 O TYR X 45 21.709 11.928 5.437 1.00 0.00 O ATOM 677 CB TYR X 45 23.316 9.561 6.313 1.00 0.00 C ATOM 678 CG TYR X 45 22.844 9.814 7.725 1.00 0.00 C ATOM 679 CD1 TYR X 45 21.832 9.020 8.278 1.00 0.00 C ATOM 680 CD2 TYR X 45 23.418 10.843 8.480 1.00 0.00 C ATOM 681 CE1 TYR X 45 21.395 9.257 9.587 1.00 0.00 C ATOM 682 CE2 TYR X 45 22.981 11.079 9.789 1.00 0.00 C ATOM 683 CZ TYR X 45 21.969 10.285 10.343 1.00 0.00 C ATOM 684 OH TYR X 45 21.537 10.519 11.633 1.00 0.00 O ATOM 0 H TYR X 45 22.886 10.443 3.623 1.00 0.00 H new ATOM 0 HA TYR X 45 21.514 8.672 5.543 1.00 0.00 H new ATOM 0 HB2 TYR X 45 23.835 8.604 6.258 1.00 0.00 H new ATOM 0 HB3 TYR X 45 24.030 10.328 6.014 1.00 0.00 H new ATOM 0 HD1 TYR X 45 21.389 8.226 7.696 1.00 0.00 H new ATOM 0 HD2 TYR X 45 24.198 11.455 8.053 1.00 0.00 H new ATOM 0 HE1 TYR X 45 20.614 8.645 10.014 1.00 0.00 H new ATOM 0 HE2 TYR X 45 23.424 11.873 10.371 1.00 0.00 H new ATOM 0 HH TYR X 45 22.041 11.267 12.016 1.00 0.00 H new ATOM 694 N ASP X 46 20.026 10.573 6.065 1.00 0.00 N ATOM 695 CA ASP X 46 19.115 11.673 6.352 1.00 0.00 C ATOM 696 C ASP X 46 18.732 11.673 7.828 1.00 0.00 C ATOM 697 O ASP X 46 18.304 10.653 8.368 1.00 0.00 O ATOM 698 CB ASP X 46 17.854 11.547 5.495 1.00 0.00 C ATOM 699 CG ASP X 46 18.215 11.655 4.017 1.00 0.00 C ATOM 700 OD1 ASP X 46 18.627 12.727 3.605 1.00 0.00 O ATOM 701 OD2 ASP X 46 18.075 10.665 3.320 1.00 0.00 O ATOM 0 H ASP X 46 19.636 9.645 6.229 1.00 0.00 H new ATOM 0 HA ASP X 46 19.619 12.610 6.116 1.00 0.00 H new ATOM 0 HB2 ASP X 46 17.366 10.592 5.690 1.00 0.00 H new ATOM 0 HB3 ASP X 46 17.143 12.329 5.762 1.00 0.00 H new ATOM 706 N ASP X 47 18.890 12.822 8.478 1.00 0.00 N ATOM 707 CA ASP X 47 18.558 12.940 9.892 1.00 0.00 C ATOM 708 C ASP X 47 17.049 13.046 10.080 1.00 0.00 C ATOM 709 O ASP X 47 16.502 12.590 11.084 1.00 0.00 O ATOM 710 CB ASP X 47 19.231 14.181 10.480 1.00 0.00 C ATOM 711 CG ASP X 47 18.995 15.382 9.572 1.00 0.00 C ATOM 712 OD1 ASP X 47 17.889 15.898 9.580 1.00 0.00 O ATOM 713 OD2 ASP X 47 19.923 15.770 8.880 1.00 0.00 O ATOM 0 H ASP X 47 19.243 13.678 8.051 1.00 0.00 H new ATOM 0 HA ASP X 47 18.917 12.049 10.407 1.00 0.00 H new ATOM 0 HB2 ASP X 47 18.834 14.383 11.475 1.00 0.00 H new ATOM 0 HB3 ASP X 47 20.301 14.005 10.594 1.00 0.00 H new ATOM 718 N ALA X 48 16.386 13.656 9.103 1.00 0.00 N ATOM 719 CA ALA X 48 14.939 13.824 9.162 1.00 0.00 C ATOM 720 C ALA X 48 14.238 12.509 8.846 1.00 0.00 C ATOM 721 O ALA X 48 13.162 12.223 9.375 1.00 0.00 O ATOM 722 CB ALA X 48 14.496 14.895 8.163 1.00 0.00 C ATOM 0 H ALA X 48 16.824 14.040 8.266 1.00 0.00 H new ATOM 0 HA ALA X 48 14.667 14.136 10.170 1.00 0.00 H new ATOM 0 HB1 ALA X 48 13.414 15.014 8.213 1.00 0.00 H new ATOM 0 HB2 ALA X 48 14.977 15.842 8.408 1.00 0.00 H new ATOM 0 HB3 ALA X 48 14.781 14.593 7.155 1.00 0.00 H new ATOM 728 N THR X 49 14.856 11.709 7.985 1.00 0.00 N ATOM 729 CA THR X 49 14.285 10.423 7.607 1.00 0.00 C ATOM 730 C THR X 49 15.017 9.289 8.317 1.00 0.00 C ATOM 731 O THR X 49 14.669 8.120 8.155 1.00 0.00 O ATOM 732 CB THR X 49 14.385 10.229 6.094 1.00 0.00 C ATOM 733 OG1 THR X 49 14.640 11.482 5.474 1.00 0.00 O ATOM 734 CG2 THR X 49 13.072 9.653 5.564 1.00 0.00 C ATOM 0 H THR X 49 15.747 11.927 7.538 1.00 0.00 H new ATOM 0 HA THR X 49 13.236 10.409 7.903 1.00 0.00 H new ATOM 0 HB THR X 49 15.198 9.539 5.868 1.00 0.00 H new ATOM 0 HG1 THR X 49 14.706 11.360 4.504 1.00 0.00 H new ATOM 0 HG21 THR X 49 13.144 9.515 4.485 1.00 0.00 H new ATOM 0 HG22 THR X 49 12.878 8.692 6.040 1.00 0.00 H new ATOM 0 HG23 THR X 49 12.256 10.341 5.788 1.00 0.00 H new ATOM 742 N LYS X 50 16.038 9.647 9.093 1.00 0.00 N ATOM 743 CA LYS X 50 16.823 8.655 9.820 1.00 0.00 C ATOM 744 C LYS X 50 16.786 7.312 9.103 1.00 0.00 C ATOM 745 O LYS X 50 16.574 6.269 9.721 1.00 0.00 O ATOM 746 CB LYS X 50 16.283 8.497 11.244 1.00 0.00 C ATOM 747 CG LYS X 50 15.055 7.583 11.243 1.00 0.00 C ATOM 748 CD LYS X 50 13.994 8.154 12.183 1.00 0.00 C ATOM 749 CE LYS X 50 14.482 8.043 13.629 1.00 0.00 C ATOM 750 NZ LYS X 50 15.363 9.202 13.947 1.00 0.00 N ATOM 0 H LYS X 50 16.339 10.611 9.233 1.00 0.00 H new ATOM 0 HA LYS X 50 17.856 9.000 9.864 1.00 0.00 H new ATOM 0 HB2 LYS X 50 17.056 8.080 11.890 1.00 0.00 H new ATOM 0 HB3 LYS X 50 16.019 9.473 11.652 1.00 0.00 H new ATOM 0 HG2 LYS X 50 14.653 7.497 10.233 1.00 0.00 H new ATOM 0 HG3 LYS X 50 15.336 6.579 11.561 1.00 0.00 H new ATOM 0 HD2 LYS X 50 13.795 9.196 11.934 1.00 0.00 H new ATOM 0 HD3 LYS X 50 13.056 7.613 12.062 1.00 0.00 H new ATOM 0 HE2 LYS X 50 13.631 8.022 14.310 1.00 0.00 H new ATOM 0 HE3 LYS X 50 15.027 7.109 13.769 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 15.262 9.449 14.952 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 16.353 8.950 13.750 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 15.090 10.017 13.361 1.00 0.00 H new ATOM 764 N THR X 51 16.990 7.348 7.792 1.00 0.00 N ATOM 765 CA THR X 51 16.974 6.133 6.993 1.00 0.00 C ATOM 766 C THR X 51 18.270 5.996 6.203 1.00 0.00 C ATOM 767 O THR X 51 18.829 6.985 5.732 1.00 0.00 O ATOM 768 CB THR X 51 15.786 6.163 6.031 1.00 0.00 C ATOM 769 OG1 THR X 51 14.578 6.223 6.775 1.00 0.00 O ATOM 770 CG2 THR X 51 15.794 4.902 5.167 1.00 0.00 C ATOM 0 H THR X 51 17.168 8.202 7.263 1.00 0.00 H new ATOM 0 HA THR X 51 16.880 5.277 7.662 1.00 0.00 H new ATOM 0 HB THR X 51 15.861 7.040 5.388 1.00 0.00 H new ATOM 0 HG1 THR X 51 14.411 7.148 7.054 1.00 0.00 H new ATOM 0 HG21 THR X 51 14.947 4.925 4.482 1.00 0.00 H new ATOM 0 HG22 THR X 51 16.721 4.858 4.596 1.00 0.00 H new ATOM 0 HG23 THR X 51 15.720 4.022 5.806 1.00 0.00 H new ATOM 778 N PHE X 52 18.738 4.762 6.057 1.00 0.00 N ATOM 779 CA PHE X 52 19.967 4.503 5.316 1.00 0.00 C ATOM 780 C PHE X 52 19.672 3.669 4.075 1.00 0.00 C ATOM 781 O PHE X 52 18.963 2.666 4.143 1.00 0.00 O ATOM 782 CB PHE X 52 20.967 3.760 6.204 1.00 0.00 C ATOM 783 CG PHE X 52 21.709 4.753 7.066 1.00 0.00 C ATOM 784 CD1 PHE X 52 21.122 5.236 8.242 1.00 0.00 C ATOM 785 CD2 PHE X 52 22.985 5.192 6.690 1.00 0.00 C ATOM 786 CE1 PHE X 52 21.810 6.156 9.042 1.00 0.00 C ATOM 787 CE2 PHE X 52 23.672 6.112 7.489 1.00 0.00 C ATOM 788 CZ PHE X 52 23.085 6.595 8.665 1.00 0.00 C ATOM 0 H PHE X 52 18.289 3.930 6.439 1.00 0.00 H new ATOM 0 HA PHE X 52 20.394 5.458 5.010 1.00 0.00 H new ATOM 0 HB2 PHE X 52 20.446 3.036 6.831 1.00 0.00 H new ATOM 0 HB3 PHE X 52 21.670 3.200 5.588 1.00 0.00 H new ATOM 0 HD1 PHE X 52 20.138 4.899 8.532 1.00 0.00 H new ATOM 0 HD2 PHE X 52 23.438 4.820 5.783 1.00 0.00 H new ATOM 0 HE1 PHE X 52 21.357 6.527 9.950 1.00 0.00 H new ATOM 0 HE2 PHE X 52 24.656 6.450 7.199 1.00 0.00 H new ATOM 0 HZ PHE X 52 23.616 7.306 9.281 1.00 0.00 H new ATOM 798 N THR X 53 20.218 4.093 2.943 1.00 0.00 N ATOM 799 CA THR X 53 20.009 3.382 1.689 1.00 0.00 C ATOM 800 C THR X 53 21.289 3.376 0.864 1.00 0.00 C ATOM 801 O THR X 53 22.129 4.266 1.004 1.00 0.00 O ATOM 802 CB THR X 53 18.890 4.053 0.890 1.00 0.00 C ATOM 803 OG1 THR X 53 17.641 3.793 1.516 1.00 0.00 O ATOM 804 CG2 THR X 53 18.874 3.498 -0.535 1.00 0.00 C ATOM 0 H THR X 53 20.807 4.922 2.867 1.00 0.00 H new ATOM 0 HA THR X 53 19.727 2.354 1.915 1.00 0.00 H new ATOM 0 HB THR X 53 19.063 5.129 0.856 1.00 0.00 H new ATOM 0 HG1 THR X 53 16.924 4.224 1.006 1.00 0.00 H new ATOM 0 HG21 THR X 53 18.076 3.977 -1.103 1.00 0.00 H new ATOM 0 HG22 THR X 53 19.832 3.699 -1.015 1.00 0.00 H new ATOM 0 HG23 THR X 53 18.702 2.422 -0.505 1.00 0.00 H new ATOM 812 N VAL X 54 21.432 2.381 -0.002 1.00 0.00 N ATOM 813 CA VAL X 54 22.614 2.288 -0.848 1.00 0.00 C ATOM 814 C VAL X 54 22.200 2.175 -2.308 1.00 0.00 C ATOM 815 O VAL X 54 21.431 1.287 -2.675 1.00 0.00 O ATOM 816 CB VAL X 54 23.449 1.069 -0.451 1.00 0.00 C ATOM 817 CG1 VAL X 54 24.924 1.462 -0.365 1.00 0.00 C ATOM 818 CG2 VAL X 54 22.979 0.554 0.911 1.00 0.00 C ATOM 0 H VAL X 54 20.751 1.634 -0.136 1.00 0.00 H new ATOM 0 HA VAL X 54 23.214 3.188 -0.715 1.00 0.00 H new ATOM 0 HB VAL X 54 23.327 0.287 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL X 54 25.516 0.592 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL X 54 25.260 1.830 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL X 54 25.049 2.245 0.383 1.00 0.00 H new ATOM 0 HG21 VAL X 54 23.572 -0.315 1.196 1.00 0.00 H new ATOM 0 HG22 VAL X 54 23.101 1.338 1.658 1.00 0.00 H new ATOM 0 HG23 VAL X 54 21.928 0.271 0.850 1.00 0.00 H new ATOM 828 N THR X 55 22.710 3.072 -3.137 1.00 0.00 N ATOM 829 CA THR X 55 22.379 3.055 -4.551 1.00 0.00 C ATOM 830 C THR X 55 23.650 3.010 -5.388 1.00 0.00 C ATOM 831 O THR X 55 24.567 3.807 -5.184 1.00 0.00 O ATOM 832 CB THR X 55 21.571 4.301 -4.903 1.00 0.00 C ATOM 833 OG1 THR X 55 20.681 4.602 -3.837 1.00 0.00 O ATOM 834 CG2 THR X 55 20.773 4.048 -6.181 1.00 0.00 C ATOM 0 H THR X 55 23.350 3.815 -2.857 1.00 0.00 H new ATOM 0 HA THR X 55 21.786 2.166 -4.766 1.00 0.00 H new ATOM 0 HB THR X 55 22.247 5.142 -5.061 1.00 0.00 H new ATOM 0 HG1 THR X 55 20.162 5.403 -4.060 1.00 0.00 H new ATOM 0 HG21 THR X 55 20.196 4.938 -6.432 1.00 0.00 H new ATOM 0 HG22 THR X 55 21.457 3.817 -6.997 1.00 0.00 H new ATOM 0 HG23 THR X 55 20.096 3.208 -6.027 1.00 0.00 H new ATOM 842 N GLU X 56 23.705 2.077 -6.330 1.00 0.00 N ATOM 843 CA GLU X 56 24.876 1.945 -7.186 1.00 0.00 C ATOM 844 C GLU X 56 24.651 2.658 -8.516 1.00 0.00 C ATOM 845 O GLU X 56 23.886 2.147 -9.317 1.00 0.00 O ATOM 846 CB GLU X 56 25.169 0.466 -7.439 1.00 0.00 C ATOM 847 CG GLU X 56 24.487 -0.381 -6.364 1.00 0.00 C ATOM 848 CD GLU X 56 24.802 -1.856 -6.583 1.00 0.00 C ATOM 849 OE1 GLU X 56 24.810 -2.276 -7.729 1.00 0.00 O ATOM 850 OE2 GLU X 56 25.032 -2.546 -5.603 1.00 0.00 O ATOM 851 OXT GLU X 56 25.247 3.703 -8.714 1.00 0.00 O ATOM 0 H GLU X 56 22.960 1.407 -6.519 1.00 0.00 H new ATOM 0 HA GLU X 56 25.727 2.404 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU X 56 24.810 0.177 -8.427 1.00 0.00 H new ATOM 0 HB3 GLU X 56 26.245 0.290 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU X 56 24.827 -0.071 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.409 -0.223 -6.395 1.00 0.00 H new TER 858 GLU X 56