USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= 0.962 K(o=1.7,f=-0.16) USER MOD Set 1.2: A 22 GLN : amide:sc= 0.784 K(o=1.7,f=-2.9!) USER MOD Single : A 1 LYS N :NH3+ -125:sc= 0.0242 (180deg=-0.291) USER MOD Single : A 1 LYS NZ :NH3+ -156:sc= 1.07 (180deg=0.55) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0381 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 13:sc= 1.19 USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 1.2 (180deg=0.864) USER MOD Single : A 24 SER OG : rot 180:sc= -0.687 USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 1.32 (180deg=1.21) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc=-0.00839 X(o=-0.0084,f=-0.34) USER MOD Single : A 34 THR OG1 : rot 83:sc= 0.944 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 155:sc= 1.29 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.32!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.945 X(o=-0.95,f=-0.98) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.0369 K(o=0.037,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.904 6.652 0.012 1.00 0.00 N ATOM 2 CA LYS A 1 -13.111 5.274 0.430 1.00 0.00 C ATOM 3 C LYS A 1 -12.530 5.009 1.823 1.00 0.00 C ATOM 4 O LYS A 1 -11.584 5.676 2.240 1.00 0.00 O ATOM 5 CB LYS A 1 -12.500 4.325 -0.606 1.00 0.00 C ATOM 6 CG LYS A 1 -13.302 4.438 -1.899 1.00 0.00 C ATOM 7 CD LYS A 1 -12.959 3.335 -2.898 1.00 0.00 C ATOM 8 CE LYS A 1 -13.874 3.424 -4.126 1.00 0.00 C ATOM 9 NZ LYS A 1 -15.308 3.415 -3.763 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.818 7.079 -0.242 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.475 7.190 0.791 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.271 6.673 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.184 5.093 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.456 4.581 -0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -12.518 3.299 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.366 4.396 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.113 5.409 -2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.917 3.425 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -13.069 2.359 -2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -13.648 4.336 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -13.665 2.587 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -15.868 3.073 -4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -15.456 2.786 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -15.610 4.379 -3.516 1.00 0.00 H new ATOM 23 N SER A 2 -13.122 4.053 2.546 1.00 0.00 N ATOM 24 CA SER A 2 -12.787 3.702 3.920 1.00 0.00 C ATOM 25 C SER A 2 -11.979 2.389 3.963 1.00 0.00 C ATOM 26 O SER A 2 -11.971 1.644 2.979 1.00 0.00 O ATOM 27 CB SER A 2 -14.105 3.611 4.709 1.00 0.00 C ATOM 28 OG SER A 2 -15.195 3.229 3.878 1.00 0.00 O ATOM 0 H SER A 2 -13.879 3.482 2.169 1.00 0.00 H new ATOM 0 HA SER A 2 -12.150 4.460 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.995 2.889 5.518 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.320 4.575 5.169 1.00 0.00 H new ATOM 0 HG SER A 2 -16.014 3.180 4.414 1.00 0.00 H new ATOM 34 N PRO A 3 -11.315 2.080 5.097 1.00 0.00 N ATOM 35 CA PRO A 3 -10.548 0.855 5.297 1.00 0.00 C ATOM 36 C PRO A 3 -11.200 -0.400 4.716 1.00 0.00 C ATOM 37 O PRO A 3 -10.530 -1.198 4.064 1.00 0.00 O ATOM 38 CB PRO A 3 -10.358 0.740 6.810 1.00 0.00 C ATOM 39 CG PRO A 3 -10.273 2.200 7.250 1.00 0.00 C ATOM 40 CD PRO A 3 -11.229 2.915 6.291 1.00 0.00 C ATOM 0 HA PRO A 3 -9.603 0.919 4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.191 0.222 7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.453 0.187 7.064 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.578 2.325 8.289 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.257 2.586 7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.211 3.044 6.746 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.859 3.910 6.043 1.00 0.00 H new ATOM 48 N GLU A 4 -12.505 -0.573 4.934 1.00 0.00 N ATOM 49 CA GLU A 4 -13.269 -1.718 4.516 1.00 0.00 C ATOM 50 C GLU A 4 -13.234 -1.921 2.986 1.00 0.00 C ATOM 51 O GLU A 4 -13.296 -3.059 2.516 1.00 0.00 O ATOM 52 CB GLU A 4 -14.686 -1.488 5.047 1.00 0.00 C ATOM 53 CG GLU A 4 -14.831 -1.545 6.588 1.00 0.00 C ATOM 54 CD GLU A 4 -14.160 -0.405 7.348 1.00 0.00 C ATOM 55 OE1 GLU A 4 -14.275 0.736 6.853 1.00 0.00 O ATOM 56 OE2 GLU A 4 -13.519 -0.682 8.400 1.00 0.00 O ATOM 0 H GLU A 4 -13.069 0.118 5.429 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.848 -2.640 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.032 -0.514 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.347 -2.236 4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.892 -1.551 6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.416 -2.489 6.941 1.00 0.00 H new ATOM 63 N GLU A 5 -13.142 -0.840 2.200 1.00 0.00 N ATOM 64 CA GLU A 5 -12.927 -0.918 0.756 1.00 0.00 C ATOM 65 C GLU A 5 -11.480 -1.321 0.489 1.00 0.00 C ATOM 66 O GLU A 5 -11.181 -2.224 -0.299 1.00 0.00 O ATOM 67 CB GLU A 5 -13.149 0.457 0.109 1.00 0.00 C ATOM 68 CG GLU A 5 -14.599 0.927 0.171 1.00 0.00 C ATOM 69 CD GLU A 5 -15.341 0.552 -1.098 1.00 0.00 C ATOM 70 OE1 GLU A 5 -15.812 -0.596 -1.195 1.00 0.00 O ATOM 71 OE2 GLU A 5 -15.469 1.420 -1.996 1.00 0.00 O ATOM 0 H GLU A 5 -13.215 0.114 2.553 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.625 -1.645 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.515 1.191 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.832 0.416 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.094 0.480 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.630 2.008 0.310 1.00 0.00 H new ATOM 78 N LEU A 6 -10.586 -0.556 1.116 1.00 0.00 N ATOM 79 CA LEU A 6 -9.154 -0.566 0.843 1.00 0.00 C ATOM 80 C LEU A 6 -8.536 -1.927 1.166 1.00 0.00 C ATOM 81 O LEU A 6 -7.581 -2.351 0.521 1.00 0.00 O ATOM 82 CB LEU A 6 -8.469 0.573 1.608 1.00 0.00 C ATOM 83 CG LEU A 6 -8.901 1.969 1.118 1.00 0.00 C ATOM 84 CD1 LEU A 6 -8.425 3.035 2.106 1.00 0.00 C ATOM 85 CD2 LEU A 6 -8.344 2.296 -0.271 1.00 0.00 C ATOM 0 H LEU A 6 -10.848 0.105 1.847 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.998 -0.399 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.697 0.479 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.388 0.475 1.504 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.989 1.964 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.733 4.020 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.864 2.845 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.338 3.001 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.676 3.290 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.255 2.271 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.704 1.560 -0.990 1.00 0.00 H new ATOM 97 N LYS A 7 -9.110 -2.646 2.128 1.00 0.00 N ATOM 98 CA LYS A 7 -8.834 -4.038 2.408 1.00 0.00 C ATOM 99 C LYS A 7 -8.861 -4.912 1.153 1.00 0.00 C ATOM 100 O LYS A 7 -8.037 -5.819 0.999 1.00 0.00 O ATOM 101 CB LYS A 7 -9.910 -4.455 3.407 1.00 0.00 C ATOM 102 CG LYS A 7 -9.682 -5.851 3.967 1.00 0.00 C ATOM 103 CD LYS A 7 -10.692 -6.134 5.074 1.00 0.00 C ATOM 104 CE LYS A 7 -10.269 -5.547 6.423 1.00 0.00 C ATOM 105 NZ LYS A 7 -11.136 -6.018 7.521 1.00 0.00 N ATOM 0 H LYS A 7 -9.809 -2.250 2.756 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.827 -4.168 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.935 -3.738 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.885 -4.418 2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.781 -6.592 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.668 -5.935 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.661 -5.722 4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.821 -7.212 5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.235 -5.823 6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.304 -4.459 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.818 -5.599 8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.119 -5.733 7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.083 -7.055 7.585 1.00 0.00 H new ATOM 119 N GLY A 8 -9.813 -4.645 0.261 1.00 0.00 N ATOM 120 CA GLY A 8 -9.914 -5.355 -0.999 1.00 0.00 C ATOM 121 C GLY A 8 -8.762 -4.945 -1.912 1.00 0.00 C ATOM 122 O GLY A 8 -8.039 -5.795 -2.429 1.00 0.00 O ATOM 0 H GLY A 8 -10.530 -3.932 0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.888 -6.431 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.868 -5.133 -1.478 1.00 0.00 H new ATOM 126 N ILE A 9 -8.558 -3.632 -2.063 1.00 0.00 N ATOM 127 CA ILE A 9 -7.499 -3.068 -2.895 1.00 0.00 C ATOM 128 C ILE A 9 -6.147 -3.679 -2.510 1.00 0.00 C ATOM 129 O ILE A 9 -5.463 -4.246 -3.362 1.00 0.00 O ATOM 130 CB ILE A 9 -7.498 -1.529 -2.796 1.00 0.00 C ATOM 131 CG1 ILE A 9 -8.856 -0.901 -3.176 1.00 0.00 C ATOM 132 CG2 ILE A 9 -6.368 -0.921 -3.640 1.00 0.00 C ATOM 133 CD1 ILE A 9 -9.274 -1.123 -4.634 1.00 0.00 C ATOM 0 H ILE A 9 -9.133 -2.926 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.685 -3.319 -3.939 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.322 -1.291 -1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.627 -1.312 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.813 0.171 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.392 0.165 -3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.407 -1.293 -3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.502 -1.203 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.239 -0.648 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.527 -0.687 -5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.354 -2.192 -4.831 1.00 0.00 H new ATOM 145 N PHE A 10 -5.784 -3.599 -1.224 1.00 0.00 N ATOM 146 CA PHE A 10 -4.592 -4.227 -0.676 1.00 0.00 C ATOM 147 C PHE A 10 -4.458 -5.661 -1.199 1.00 0.00 C ATOM 148 O PHE A 10 -3.441 -6.005 -1.794 1.00 0.00 O ATOM 149 CB PHE A 10 -4.655 -4.204 0.858 1.00 0.00 C ATOM 150 CG PHE A 10 -3.505 -4.924 1.529 1.00 0.00 C ATOM 151 CD1 PHE A 10 -2.258 -4.293 1.676 1.00 0.00 C ATOM 152 CD2 PHE A 10 -3.592 -6.322 1.693 1.00 0.00 C ATOM 153 CE1 PHE A 10 -1.102 -5.075 1.857 1.00 0.00 C ATOM 154 CE2 PHE A 10 -2.429 -7.092 1.606 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.175 -6.465 1.711 1.00 0.00 C ATOM 0 H PHE A 10 -6.325 -3.085 -0.529 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.711 -3.670 -0.996 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.669 -3.168 1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.592 -4.657 1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.187 -3.216 1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.546 -6.792 1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.163 -4.605 2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.493 -8.160 1.459 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.271 -7.054 1.679 1.00 0.00 H new ATOM 165 N GLU A 11 -5.491 -6.490 -1.007 1.00 0.00 N ATOM 166 CA GLU A 11 -5.475 -7.880 -1.449 1.00 0.00 C ATOM 167 C GLU A 11 -5.259 -7.984 -2.960 1.00 0.00 C ATOM 168 O GLU A 11 -4.594 -8.901 -3.451 1.00 0.00 O ATOM 169 CB GLU A 11 -6.805 -8.553 -1.097 1.00 0.00 C ATOM 170 CG GLU A 11 -6.637 -10.075 -1.004 1.00 0.00 C ATOM 171 CD GLU A 11 -7.890 -10.814 -1.422 1.00 0.00 C ATOM 172 OE1 GLU A 11 -8.229 -10.749 -2.625 1.00 0.00 O ATOM 173 OE2 GLU A 11 -8.553 -11.408 -0.532 1.00 0.00 O ATOM 0 H GLU A 11 -6.356 -6.213 -0.542 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.650 -8.378 -0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.174 -8.165 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.552 -8.310 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.805 -10.387 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.380 -10.349 0.019 1.00 0.00 H new ATOM 180 N LYS A 12 -5.895 -7.078 -3.706 1.00 0.00 N ATOM 181 CA LYS A 12 -5.886 -7.112 -5.153 1.00 0.00 C ATOM 182 C LYS A 12 -4.460 -6.989 -5.678 1.00 0.00 C ATOM 183 O LYS A 12 -4.105 -7.712 -6.610 1.00 0.00 O ATOM 184 CB LYS A 12 -6.807 -6.021 -5.736 1.00 0.00 C ATOM 185 CG LYS A 12 -7.665 -6.562 -6.888 1.00 0.00 C ATOM 186 CD LYS A 12 -7.977 -5.494 -7.944 1.00 0.00 C ATOM 187 CE LYS A 12 -8.719 -4.247 -7.438 1.00 0.00 C ATOM 188 NZ LYS A 12 -10.099 -4.522 -6.989 1.00 0.00 N ATOM 0 H LYS A 12 -6.429 -6.302 -3.314 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.279 -8.074 -5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.455 -5.633 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.203 -5.186 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.146 -7.395 -7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.599 -6.955 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.039 -5.175 -8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.574 -5.953 -8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.157 -3.810 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.746 -3.503 -8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.540 -3.639 -6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.650 -4.912 -7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.080 -5.209 -6.209 1.00 0.00 H new ATOM 202 N TYR A 13 -3.657 -6.085 -5.108 1.00 0.00 N ATOM 203 CA TYR A 13 -2.271 -5.915 -5.526 1.00 0.00 C ATOM 204 C TYR A 13 -1.321 -6.856 -4.776 1.00 0.00 C ATOM 205 O TYR A 13 -0.437 -7.418 -5.422 1.00 0.00 O ATOM 206 CB TYR A 13 -1.870 -4.438 -5.488 1.00 0.00 C ATOM 207 CG TYR A 13 -2.654 -3.605 -6.493 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.927 -3.122 -6.148 1.00 0.00 C ATOM 209 CD2 TYR A 13 -2.092 -3.223 -7.728 1.00 0.00 C ATOM 210 CE1 TYR A 13 -4.711 -2.439 -7.087 1.00 0.00 C ATOM 211 CE2 TYR A 13 -2.897 -2.580 -8.690 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.229 -2.237 -8.389 1.00 0.00 C ATOM 213 OH TYR A 13 -5.055 -1.732 -9.354 1.00 0.00 O ATOM 0 H TYR A 13 -3.948 -5.461 -4.355 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.181 -6.220 -6.569 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.034 -4.044 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.804 -4.347 -5.696 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.305 -3.279 -5.149 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.051 -3.422 -7.936 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.686 -2.068 -6.809 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.490 -2.349 -9.663 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.867 -1.377 -8.936 1.00 0.00 H new ATOM 223 N ALA A 14 -1.506 -7.106 -3.466 1.00 0.00 N ATOM 224 CA ALA A 14 -0.669 -8.039 -2.711 1.00 0.00 C ATOM 225 C ALA A 14 -0.453 -9.377 -3.418 1.00 0.00 C ATOM 226 O ALA A 14 0.603 -9.990 -3.244 1.00 0.00 O ATOM 227 CB ALA A 14 -1.287 -8.282 -1.338 1.00 0.00 C ATOM 0 H ALA A 14 -2.238 -6.666 -2.909 1.00 0.00 H new ATOM 0 HA ALA A 14 0.312 -7.573 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.663 -8.977 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.356 -7.338 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.284 -8.705 -1.458 1.00 0.00 H new ATOM 233 N ALA A 15 -1.447 -9.830 -4.191 1.00 0.00 N ATOM 234 CA ALA A 15 -1.390 -11.078 -4.935 1.00 0.00 C ATOM 235 C ALA A 15 -0.302 -11.125 -6.019 1.00 0.00 C ATOM 236 O ALA A 15 0.188 -12.211 -6.339 1.00 0.00 O ATOM 237 CB ALA A 15 -2.762 -11.318 -5.566 1.00 0.00 C ATOM 0 H ALA A 15 -2.325 -9.326 -4.314 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.123 -11.862 -4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.745 -12.250 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.517 -11.382 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.004 -10.493 -6.236 1.00 0.00 H new ATOM 243 N LYS A 16 0.011 -9.996 -6.664 1.00 0.00 N ATOM 244 CA LYS A 16 0.593 -9.995 -8.007 1.00 0.00 C ATOM 245 C LYS A 16 1.977 -10.632 -8.121 1.00 0.00 C ATOM 246 O LYS A 16 2.210 -11.444 -9.026 1.00 0.00 O ATOM 247 CB LYS A 16 0.637 -8.562 -8.570 1.00 0.00 C ATOM 248 CG LYS A 16 0.009 -8.433 -9.969 1.00 0.00 C ATOM 249 CD LYS A 16 -1.477 -8.816 -10.057 1.00 0.00 C ATOM 250 CE LYS A 16 -2.311 -8.092 -8.998 1.00 0.00 C ATOM 251 NZ LYS A 16 -3.755 -8.347 -9.145 1.00 0.00 N ATOM 0 H LYS A 16 -0.131 -9.065 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.070 -10.628 -8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.116 -7.894 -7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.674 -8.229 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.123 -7.403 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.571 -9.060 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.858 -8.573 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.583 -9.893 -9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.988 -8.410 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.126 -7.020 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.253 -8.024 -8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.116 -7.831 -9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.916 -9.366 -9.275 1.00 0.00 H new ATOM 265 N GLU A 17 2.940 -10.175 -7.319 1.00 0.00 N ATOM 266 CA GLU A 17 4.346 -10.436 -7.615 1.00 0.00 C ATOM 267 C GLU A 17 4.792 -11.799 -7.092 1.00 0.00 C ATOM 268 O GLU A 17 4.450 -12.817 -7.703 1.00 0.00 O ATOM 269 CB GLU A 17 5.230 -9.248 -7.210 1.00 0.00 C ATOM 270 CG GLU A 17 5.073 -8.065 -8.177 1.00 0.00 C ATOM 271 CD GLU A 17 5.775 -8.274 -9.510 1.00 0.00 C ATOM 272 OE1 GLU A 17 6.093 -9.436 -9.850 1.00 0.00 O ATOM 273 OE2 GLU A 17 6.000 -7.268 -10.226 1.00 0.00 O ATOM 0 H GLU A 17 2.775 -9.631 -6.472 1.00 0.00 H new ATOM 0 HA GLU A 17 4.473 -10.516 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.970 -8.929 -6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.273 -9.563 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.012 -7.892 -8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.467 -7.165 -7.705 1.00 0.00 H new ATOM 280 N GLY A 18 5.545 -11.831 -5.996 1.00 0.00 N ATOM 281 CA GLY A 18 5.661 -13.016 -5.170 1.00 0.00 C ATOM 282 C GLY A 18 4.582 -12.906 -4.095 1.00 0.00 C ATOM 283 O GLY A 18 4.019 -11.820 -3.921 1.00 0.00 O ATOM 0 H GLY A 18 6.088 -11.035 -5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.524 -13.918 -5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.652 -13.079 -4.720 1.00 0.00 H new ATOM 287 N ASP A 19 4.327 -13.991 -3.360 1.00 0.00 N ATOM 288 CA ASP A 19 3.540 -14.029 -2.140 1.00 0.00 C ATOM 289 C ASP A 19 2.079 -13.520 -2.246 1.00 0.00 C ATOM 290 O ASP A 19 1.819 -12.446 -2.800 1.00 0.00 O ATOM 291 CB ASP A 19 4.335 -13.332 -1.024 1.00 0.00 C ATOM 292 CG ASP A 19 3.455 -12.378 -0.246 1.00 0.00 C ATOM 293 OD1 ASP A 19 3.262 -11.269 -0.787 1.00 0.00 O ATOM 294 OD2 ASP A 19 2.883 -12.789 0.789 1.00 0.00 O ATOM 0 H ASP A 19 4.685 -14.910 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 19 3.388 -15.082 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.753 -14.079 -0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.175 -12.788 -1.456 1.00 0.00 H new ATOM 299 N PRO A 20 1.119 -14.234 -1.635 1.00 0.00 N ATOM 300 CA PRO A 20 -0.283 -13.861 -1.671 1.00 0.00 C ATOM 301 C PRO A 20 -0.674 -12.795 -0.638 1.00 0.00 C ATOM 302 O PRO A 20 -1.780 -12.260 -0.752 1.00 0.00 O ATOM 303 CB PRO A 20 -1.032 -15.163 -1.383 1.00 0.00 C ATOM 304 CG PRO A 20 -0.099 -15.875 -0.408 1.00 0.00 C ATOM 305 CD PRO A 20 1.284 -15.507 -0.945 1.00 0.00 C ATOM 0 HA PRO A 20 -0.524 -13.411 -2.634 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.012 -14.978 -0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.193 -15.747 -2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.242 -15.530 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.260 -16.953 -0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 20 2.008 -15.421 -0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.656 -16.274 -1.624 1.00 0.00 H new ATOM 313 N ASN A 21 0.135 -12.519 0.400 1.00 0.00 N ATOM 314 CA ASN A 21 -0.357 -11.871 1.596 1.00 0.00 C ATOM 315 C ASN A 21 0.253 -10.484 1.732 1.00 0.00 C ATOM 316 O ASN A 21 -0.444 -9.520 2.030 1.00 0.00 O ATOM 317 CB ASN A 21 -0.015 -12.763 2.783 1.00 0.00 C ATOM 318 CG ASN A 21 -0.726 -12.282 4.030 1.00 0.00 C ATOM 319 OD1 ASN A 21 -1.786 -12.788 4.383 1.00 0.00 O ATOM 320 ND2 ASN A 21 -0.164 -11.303 4.716 1.00 0.00 N ATOM 0 H ASN A 21 1.130 -12.741 0.420 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.437 -11.735 1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.303 -13.792 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.062 -12.761 2.948 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.612 -10.950 5.562 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.718 -10.900 4.400 1.00 0.00 H new ATOM 327 N GLN A 22 1.561 -10.375 1.508 1.00 0.00 N ATOM 328 CA GLN A 22 2.283 -9.117 1.574 1.00 0.00 C ATOM 329 C GLN A 22 2.155 -8.301 0.279 1.00 0.00 C ATOM 330 O GLN A 22 2.087 -8.838 -0.831 1.00 0.00 O ATOM 331 CB GLN A 22 3.763 -9.392 1.870 1.00 0.00 C ATOM 332 CG GLN A 22 4.166 -9.403 3.343 1.00 0.00 C ATOM 333 CD GLN A 22 3.386 -10.478 4.041 1.00 0.00 C ATOM 334 OE1 GLN A 22 2.386 -10.218 4.698 1.00 0.00 O ATOM 335 NE2 GLN A 22 3.794 -11.712 3.819 1.00 0.00 N ATOM 0 H GLN A 22 2.152 -11.172 1.273 1.00 0.00 H new ATOM 0 HA GLN A 22 1.841 -8.525 2.375 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.026 -10.357 1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.361 -8.638 1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.236 -9.586 3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.965 -8.433 3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.634 -11.880 3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.270 -12.499 4.201 1.00 0.00 H new ATOM 344 N LEU A 23 2.205 -6.976 0.445 1.00 0.00 N ATOM 345 CA LEU A 23 2.652 -6.029 -0.557 1.00 0.00 C ATOM 346 C LEU A 23 4.154 -5.874 -0.392 1.00 0.00 C ATOM 347 O LEU A 23 4.593 -5.151 0.499 1.00 0.00 O ATOM 348 CB LEU A 23 2.020 -4.658 -0.290 1.00 0.00 C ATOM 349 CG LEU A 23 0.667 -4.458 -0.968 1.00 0.00 C ATOM 350 CD1 LEU A 23 0.108 -3.091 -0.559 1.00 0.00 C ATOM 351 CD2 LEU A 23 0.746 -4.475 -2.502 1.00 0.00 C ATOM 0 H LEU A 23 1.923 -6.526 1.316 1.00 0.00 H new ATOM 0 HA LEU A 23 2.378 -6.379 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.899 -4.528 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.704 -3.881 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 23 0.034 -5.287 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.859 -2.936 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.013 -3.056 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.798 -2.307 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.250 -4.328 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.404 -3.675 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.141 -5.435 -2.835 1.00 0.00 H new ATOM 363 N SER A 24 4.972 -6.485 -1.240 1.00 0.00 N ATOM 364 CA SER A 24 6.407 -6.196 -1.176 1.00 0.00 C ATOM 365 C SER A 24 6.683 -4.764 -1.663 1.00 0.00 C ATOM 366 O SER A 24 5.832 -4.144 -2.307 1.00 0.00 O ATOM 367 CB SER A 24 7.215 -7.265 -1.909 1.00 0.00 C ATOM 368 OG SER A 24 6.667 -7.478 -3.188 1.00 0.00 O ATOM 0 H SER A 24 4.688 -7.157 -1.953 1.00 0.00 H new ATOM 0 HA SER A 24 6.741 -6.238 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.256 -6.953 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.208 -8.195 -1.340 1.00 0.00 H new ATOM 0 HG SER A 24 7.188 -8.163 -3.657 1.00 0.00 H new ATOM 374 N LYS A 25 7.852 -4.201 -1.330 1.00 0.00 N ATOM 375 CA LYS A 25 8.282 -2.900 -1.844 1.00 0.00 C ATOM 376 C LYS A 25 8.128 -2.871 -3.362 1.00 0.00 C ATOM 377 O LYS A 25 7.562 -1.939 -3.938 1.00 0.00 O ATOM 378 CB LYS A 25 9.726 -2.611 -1.387 1.00 0.00 C ATOM 379 CG LYS A 25 10.367 -1.446 -2.149 1.00 0.00 C ATOM 380 CD LYS A 25 11.797 -1.131 -1.696 1.00 0.00 C ATOM 381 CE LYS A 25 11.914 -0.681 -0.236 1.00 0.00 C ATOM 382 NZ LYS A 25 13.288 -0.244 0.073 1.00 0.00 N ATOM 0 H LYS A 25 8.523 -4.636 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 25 7.652 -2.107 -1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.727 -2.386 -0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.332 -3.507 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.375 -1.679 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.750 -0.556 -2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.415 -2.017 -1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.205 -0.350 -2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.217 0.136 -0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.632 -1.501 0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.411 -0.188 1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.966 -0.928 -0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.457 0.692 -0.347 1.00 0.00 H new ATOM 396 N GLU A 26 8.593 -3.955 -3.984 1.00 0.00 N ATOM 397 CA GLU A 26 8.424 -4.252 -5.404 1.00 0.00 C ATOM 398 C GLU A 26 6.999 -3.939 -5.886 1.00 0.00 C ATOM 399 O GLU A 26 6.819 -3.388 -6.968 1.00 0.00 O ATOM 400 CB GLU A 26 8.713 -5.753 -5.590 1.00 0.00 C ATOM 401 CG GLU A 26 8.518 -6.268 -7.028 1.00 0.00 C ATOM 402 CD GLU A 26 9.551 -5.727 -7.988 1.00 0.00 C ATOM 403 OE1 GLU A 26 10.743 -5.701 -7.583 1.00 0.00 O ATOM 404 OE2 GLU A 26 9.186 -5.350 -9.121 1.00 0.00 O ATOM 0 H GLU A 26 9.118 -4.678 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 26 9.104 -3.633 -5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.739 -5.953 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.064 -6.320 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.563 -7.357 -7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.523 -5.990 -7.377 1.00 0.00 H new ATOM 411 N GLU A 27 6.021 -4.367 -5.087 1.00 0.00 N ATOM 412 CA GLU A 27 4.622 -4.564 -5.417 1.00 0.00 C ATOM 413 C GLU A 27 3.814 -3.300 -5.117 1.00 0.00 C ATOM 414 O GLU A 27 2.804 -3.046 -5.777 1.00 0.00 O ATOM 415 CB GLU A 27 4.160 -5.763 -4.576 1.00 0.00 C ATOM 416 CG GLU A 27 3.060 -6.681 -5.120 1.00 0.00 C ATOM 417 CD GLU A 27 3.046 -7.960 -4.292 1.00 0.00 C ATOM 418 OE1 GLU A 27 3.435 -7.926 -3.102 1.00 0.00 O ATOM 419 OE2 GLU A 27 2.717 -9.058 -4.787 1.00 0.00 O ATOM 0 H GLU A 27 6.210 -4.602 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 27 4.474 -4.762 -6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.035 -6.382 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.819 -5.377 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.091 -6.184 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.243 -6.911 -6.170 1.00 0.00 H new ATOM 426 N LEU A 28 4.251 -2.476 -4.150 1.00 0.00 N ATOM 427 CA LEU A 28 3.645 -1.159 -3.978 1.00 0.00 C ATOM 428 C LEU A 28 3.645 -0.377 -5.300 1.00 0.00 C ATOM 429 O LEU A 28 2.673 0.301 -5.626 1.00 0.00 O ATOM 430 CB LEU A 28 4.436 -0.418 -2.895 1.00 0.00 C ATOM 431 CG LEU A 28 3.841 0.928 -2.453 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.400 0.795 -1.944 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.714 1.505 -1.332 1.00 0.00 C ATOM 0 H LEU A 28 5.001 -2.696 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 28 2.603 -1.260 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.518 -1.065 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.448 -0.247 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 28 3.822 1.586 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.028 1.775 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.769 0.394 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.377 0.121 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.304 2.461 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.730 0.813 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.729 1.652 -1.700 1.00 0.00 H new ATOM 445 N LYS A 29 4.734 -0.486 -6.066 1.00 0.00 N ATOM 446 CA LYS A 29 4.964 0.251 -7.304 1.00 0.00 C ATOM 447 C LYS A 29 3.721 0.311 -8.208 1.00 0.00 C ATOM 448 O LYS A 29 3.138 1.374 -8.429 1.00 0.00 O ATOM 449 CB LYS A 29 6.155 -0.392 -8.023 1.00 0.00 C ATOM 450 CG LYS A 29 6.426 0.315 -9.349 1.00 0.00 C ATOM 451 CD LYS A 29 7.858 0.047 -9.821 1.00 0.00 C ATOM 452 CE LYS A 29 8.227 1.071 -10.899 1.00 0.00 C ATOM 453 NZ LYS A 29 9.478 0.713 -11.601 1.00 0.00 N ATOM 0 H LYS A 29 5.504 -1.112 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 29 5.185 1.290 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.040 -0.341 -7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.952 -1.448 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.718 -0.031 -10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.270 1.388 -9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.550 0.117 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.940 -0.965 -10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.414 1.145 -11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.337 2.054 -10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.690 1.433 -12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.260 0.668 -10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.366 -0.214 -12.060 1.00 0.00 H new ATOM 467 N LEU A 30 3.344 -0.849 -8.748 1.00 0.00 N ATOM 468 CA LEU A 30 2.202 -1.002 -9.646 1.00 0.00 C ATOM 469 C LEU A 30 0.948 -0.375 -9.031 1.00 0.00 C ATOM 470 O LEU A 30 0.202 0.336 -9.710 1.00 0.00 O ATOM 471 CB LEU A 30 1.932 -2.473 -10.030 1.00 0.00 C ATOM 472 CG LEU A 30 2.617 -3.577 -9.208 1.00 0.00 C ATOM 473 CD1 LEU A 30 1.808 -4.877 -9.291 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.031 -3.873 -9.719 1.00 0.00 C ATOM 0 H LEU A 30 3.835 -1.725 -8.569 1.00 0.00 H new ATOM 0 HA LEU A 30 2.456 -0.476 -10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.856 -2.638 -9.978 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.224 -2.604 -11.072 1.00 0.00 H new ATOM 0 HG LEU A 30 2.673 -3.217 -8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.303 -5.652 -8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.806 -4.708 -8.896 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.739 -5.197 -10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.480 -4.659 -9.111 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.981 -4.201 -10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.638 -2.970 -9.652 1.00 0.00 H new ATOM 486 N LEU A 31 0.728 -0.652 -7.743 1.00 0.00 N ATOM 487 CA LEU A 31 -0.359 -0.094 -6.955 1.00 0.00 C ATOM 488 C LEU A 31 -0.411 1.419 -7.138 1.00 0.00 C ATOM 489 O LEU A 31 -1.453 1.960 -7.495 1.00 0.00 O ATOM 490 CB LEU A 31 -0.159 -0.440 -5.471 1.00 0.00 C ATOM 491 CG LEU A 31 -1.449 -0.823 -4.734 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.166 -1.043 -3.246 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.597 0.173 -4.894 1.00 0.00 C ATOM 0 H LEU A 31 1.321 -1.289 -7.211 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.302 -0.522 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.548 -1.266 -5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.293 0.415 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.784 -1.747 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.090 -1.314 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.438 -1.846 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.768 -0.126 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.466 -0.181 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.291 1.145 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.854 0.266 -5.949 1.00 0.00 H new ATOM 505 N LEU A 32 0.716 2.099 -6.912 1.00 0.00 N ATOM 506 CA LEU A 32 0.753 3.551 -7.008 1.00 0.00 C ATOM 507 C LEU A 32 0.342 3.986 -8.413 1.00 0.00 C ATOM 508 O LEU A 32 -0.547 4.823 -8.577 1.00 0.00 O ATOM 509 CB LEU A 32 2.139 4.132 -6.692 1.00 0.00 C ATOM 510 CG LEU A 32 2.825 3.650 -5.406 1.00 0.00 C ATOM 511 CD1 LEU A 32 4.096 4.462 -5.141 1.00 0.00 C ATOM 512 CD2 LEU A 32 1.895 3.763 -4.195 1.00 0.00 C ATOM 0 H LEU A 32 1.606 1.667 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 32 0.055 3.935 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.798 3.908 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.047 5.217 -6.639 1.00 0.00 H new ATOM 0 HG LEU A 32 3.081 2.600 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.570 4.108 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.785 4.342 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.839 5.515 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.415 3.413 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.600 4.803 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.007 3.153 -4.360 1.00 0.00 H new ATOM 524 N GLN A 33 1.004 3.405 -9.419 1.00 0.00 N ATOM 525 CA GLN A 33 0.869 3.774 -10.811 1.00 0.00 C ATOM 526 C GLN A 33 -0.569 3.579 -11.306 1.00 0.00 C ATOM 527 O GLN A 33 -1.043 4.322 -12.170 1.00 0.00 O ATOM 528 CB GLN A 33 1.840 2.888 -11.590 1.00 0.00 C ATOM 529 CG GLN A 33 3.306 3.310 -11.444 1.00 0.00 C ATOM 530 CD GLN A 33 4.209 2.384 -12.254 1.00 0.00 C ATOM 531 OE1 GLN A 33 4.415 1.234 -11.877 1.00 0.00 O ATOM 532 NE2 GLN A 33 4.759 2.853 -13.373 1.00 0.00 N ATOM 0 H GLN A 33 1.666 2.643 -9.271 1.00 0.00 H new ATOM 0 HA GLN A 33 1.098 4.830 -10.953 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.731 1.858 -11.250 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.569 2.906 -12.646 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.431 4.338 -11.783 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.596 3.284 -10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.575 3.812 -13.669 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.364 2.253 -13.934 1.00 0.00 H new ATOM 541 N THR A 34 -1.236 2.549 -10.784 1.00 0.00 N ATOM 542 CA THR A 34 -2.568 2.158 -11.201 1.00 0.00 C ATOM 543 C THR A 34 -3.645 2.910 -10.401 1.00 0.00 C ATOM 544 O THR A 34 -4.574 3.476 -10.991 1.00 0.00 O ATOM 545 CB THR A 34 -2.673 0.633 -11.071 1.00 0.00 C ATOM 546 OG1 THR A 34 -1.610 0.034 -11.799 1.00 0.00 O ATOM 547 CG2 THR A 34 -3.992 0.109 -11.628 1.00 0.00 C ATOM 0 H THR A 34 -0.852 1.957 -10.047 1.00 0.00 H new ATOM 0 HA THR A 34 -2.743 2.432 -12.241 1.00 0.00 H new ATOM 0 HB THR A 34 -2.620 0.381 -10.012 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.801 0.020 -11.245 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.029 -0.975 -11.518 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.822 0.558 -11.081 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.070 0.369 -12.684 1.00 0.00 H new ATOM 555 N GLU A 35 -3.550 2.891 -9.069 1.00 0.00 N ATOM 556 CA GLU A 35 -4.612 3.344 -8.186 1.00 0.00 C ATOM 557 C GLU A 35 -4.409 4.777 -7.675 1.00 0.00 C ATOM 558 O GLU A 35 -5.428 5.432 -7.448 1.00 0.00 O ATOM 559 CB GLU A 35 -4.801 2.375 -7.003 1.00 0.00 C ATOM 560 CG GLU A 35 -5.285 0.974 -7.431 1.00 0.00 C ATOM 561 CD GLU A 35 -6.737 0.893 -7.902 1.00 0.00 C ATOM 562 OE1 GLU A 35 -7.545 1.783 -7.545 1.00 0.00 O ATOM 563 OE2 GLU A 35 -7.064 -0.086 -8.617 1.00 0.00 O ATOM 0 H GLU A 35 -2.723 2.556 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.519 3.352 -8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.856 2.277 -6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.520 2.802 -6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.641 0.616 -8.234 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.156 0.292 -6.591 1.00 0.00 H new ATOM 570 N PHE A 36 -3.187 5.292 -7.458 1.00 0.00 N ATOM 571 CA PHE A 36 -3.080 6.626 -6.859 1.00 0.00 C ATOM 572 C PHE A 36 -1.834 7.390 -7.343 1.00 0.00 C ATOM 573 O PHE A 36 -0.929 7.677 -6.556 1.00 0.00 O ATOM 574 CB PHE A 36 -3.130 6.580 -5.316 1.00 0.00 C ATOM 575 CG PHE A 36 -2.978 5.238 -4.630 1.00 0.00 C ATOM 576 CD1 PHE A 36 -1.673 4.884 -4.248 1.00 0.00 C ATOM 577 CD2 PHE A 36 -4.078 4.602 -4.017 1.00 0.00 C ATOM 578 CE1 PHE A 36 -1.463 4.020 -3.165 1.00 0.00 C ATOM 579 CE2 PHE A 36 -3.865 3.652 -3.001 1.00 0.00 C ATOM 580 CZ PHE A 36 -2.557 3.362 -2.574 1.00 0.00 C ATOM 0 H PHE A 36 -2.304 4.831 -7.676 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.955 7.177 -7.202 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.346 7.236 -4.939 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.082 7.008 -5.002 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.828 5.280 -4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.084 4.844 -4.328 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.465 3.860 -2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.706 3.146 -2.550 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.392 2.635 -1.793 1.00 0.00 H new ATOM 590 N PRO A 37 -1.824 7.866 -8.595 1.00 0.00 N ATOM 591 CA PRO A 37 -0.920 8.934 -9.005 1.00 0.00 C ATOM 592 C PRO A 37 -1.045 10.159 -8.079 1.00 0.00 C ATOM 593 O PRO A 37 -0.070 10.867 -7.838 1.00 0.00 O ATOM 594 CB PRO A 37 -1.282 9.242 -10.464 1.00 0.00 C ATOM 595 CG PRO A 37 -2.721 8.741 -10.594 1.00 0.00 C ATOM 596 CD PRO A 37 -2.770 7.548 -9.650 1.00 0.00 C ATOM 0 HA PRO A 37 0.127 8.640 -8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.208 10.308 -10.678 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.616 8.730 -11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.440 9.508 -10.308 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.954 8.452 -11.619 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.773 7.402 -9.250 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.494 6.627 -10.163 1.00 0.00 H new ATOM 604 N SER A 38 -2.238 10.385 -7.518 1.00 0.00 N ATOM 605 CA SER A 38 -2.519 11.416 -6.519 1.00 0.00 C ATOM 606 C SER A 38 -1.458 11.463 -5.397 1.00 0.00 C ATOM 607 O SER A 38 -1.118 12.544 -4.910 1.00 0.00 O ATOM 608 CB SER A 38 -3.926 11.159 -5.937 1.00 0.00 C ATOM 609 OG SER A 38 -4.879 12.108 -6.388 1.00 0.00 O ATOM 0 H SER A 38 -3.062 9.834 -7.757 1.00 0.00 H new ATOM 0 HA SER A 38 -2.482 12.390 -7.006 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.254 10.158 -6.216 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.877 11.187 -4.848 1.00 0.00 H new ATOM 0 HG SER A 38 -5.754 11.905 -5.996 1.00 0.00 H new ATOM 615 N LEU A 39 -0.939 10.305 -4.970 1.00 0.00 N ATOM 616 CA LEU A 39 0.098 10.213 -3.953 1.00 0.00 C ATOM 617 C LEU A 39 1.464 10.594 -4.524 1.00 0.00 C ATOM 618 O LEU A 39 2.281 11.207 -3.838 1.00 0.00 O ATOM 619 CB LEU A 39 0.091 8.777 -3.405 1.00 0.00 C ATOM 620 CG LEU A 39 -0.680 8.694 -2.080 1.00 0.00 C ATOM 621 CD1 LEU A 39 -0.980 7.232 -1.738 1.00 0.00 C ATOM 622 CD2 LEU A 39 0.124 9.307 -0.923 1.00 0.00 C ATOM 0 H LEU A 39 -1.236 9.398 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.101 10.916 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.363 8.108 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.116 8.437 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.606 9.254 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.527 7.183 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.582 6.789 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.044 6.681 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.451 9.232 -0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.065 8.769 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.329 10.356 -1.138 1.00 0.00 H new ATOM 634 N LEU A 40 1.703 10.254 -5.792 1.00 0.00 N ATOM 635 CA LEU A 40 2.952 10.589 -6.473 1.00 0.00 C ATOM 636 C LEU A 40 3.063 12.101 -6.655 1.00 0.00 C ATOM 637 O LEU A 40 4.152 12.667 -6.522 1.00 0.00 O ATOM 638 CB LEU A 40 3.056 9.880 -7.830 1.00 0.00 C ATOM 639 CG LEU A 40 2.930 8.354 -7.733 1.00 0.00 C ATOM 640 CD1 LEU A 40 3.038 7.754 -9.142 1.00 0.00 C ATOM 641 CD2 LEU A 40 4.036 7.753 -6.859 1.00 0.00 C ATOM 0 H LEU A 40 1.039 9.741 -6.372 1.00 0.00 H new ATOM 0 HA LEU A 40 3.778 10.243 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.277 10.260 -8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.013 10.129 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 40 1.966 8.121 -7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.950 6.669 -9.083 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.239 8.150 -9.768 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.003 8.016 -9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.915 6.671 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.009 7.992 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.971 8.169 -5.853 1.00 0.00 H new ATOM 653 N LYS A 41 1.925 12.739 -6.950 1.00 0.00 N ATOM 654 CA LYS A 41 1.771 14.186 -6.913 1.00 0.00 C ATOM 655 C LYS A 41 1.981 14.675 -5.478 1.00 0.00 C ATOM 656 O LYS A 41 2.754 15.605 -5.247 1.00 0.00 O ATOM 657 CB LYS A 41 0.388 14.580 -7.454 1.00 0.00 C ATOM 658 CG LYS A 41 0.284 14.255 -8.950 1.00 0.00 C ATOM 659 CD LYS A 41 -1.148 14.440 -9.464 1.00 0.00 C ATOM 660 CE LYS A 41 -1.292 13.915 -10.901 1.00 0.00 C ATOM 661 NZ LYS A 41 -0.548 14.721 -11.888 1.00 0.00 N ATOM 0 H LYS A 41 1.074 12.250 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 41 2.518 14.661 -7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.389 14.048 -6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.218 15.645 -7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.960 14.900 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.605 13.228 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.843 13.914 -8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.416 15.496 -9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.939 12.884 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.347 13.902 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.683 14.319 -12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.900 15.700 -11.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.464 14.714 -11.650 1.00 0.00 H new ATOM 675 N GLY A 42 1.304 14.019 -4.528 1.00 0.00 N ATOM 676 CA GLY A 42 1.449 14.215 -3.093 1.00 0.00 C ATOM 677 C GLY A 42 2.902 14.437 -2.660 1.00 0.00 C ATOM 678 O GLY A 42 3.213 15.430 -1.999 1.00 0.00 O ATOM 0 H GLY A 42 0.611 13.306 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.850 15.073 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.050 13.345 -2.571 1.00 0.00 H new ATOM 682 N GLY A 43 3.796 13.520 -3.032 1.00 0.00 N ATOM 683 CA GLY A 43 5.223 13.632 -2.758 1.00 0.00 C ATOM 684 C GLY A 43 5.804 12.226 -2.701 1.00 0.00 C ATOM 685 O GLY A 43 5.423 11.392 -3.521 1.00 0.00 O ATOM 0 H GLY A 43 3.544 12.671 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.715 14.216 -3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.390 14.152 -1.815 1.00 0.00 H new ATOM 689 N SER A 44 6.667 11.950 -1.716 1.00 0.00 N ATOM 690 CA SER A 44 6.947 10.612 -1.227 1.00 0.00 C ATOM 691 C SER A 44 7.444 9.620 -2.289 1.00 0.00 C ATOM 692 O SER A 44 6.671 8.964 -2.990 1.00 0.00 O ATOM 693 CB SER A 44 5.734 10.115 -0.448 1.00 0.00 C ATOM 694 OG SER A 44 5.548 10.950 0.686 1.00 0.00 O ATOM 0 H SER A 44 7.198 12.674 -1.231 1.00 0.00 H new ATOM 0 HA SER A 44 7.806 10.677 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.846 10.132 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.883 9.081 -0.136 1.00 0.00 H new ATOM 0 HG SER A 44 4.769 10.642 1.195 1.00 0.00 H new ATOM 700 N THR A 45 8.766 9.478 -2.375 1.00 0.00 N ATOM 701 CA THR A 45 9.417 8.399 -3.098 1.00 0.00 C ATOM 702 C THR A 45 9.132 7.040 -2.445 1.00 0.00 C ATOM 703 O THR A 45 8.821 6.956 -1.256 1.00 0.00 O ATOM 704 CB THR A 45 10.921 8.686 -3.198 1.00 0.00 C ATOM 705 OG1 THR A 45 11.203 10.067 -3.024 1.00 0.00 O ATOM 706 CG2 THR A 45 11.555 8.193 -4.500 1.00 0.00 C ATOM 0 H THR A 45 9.421 10.124 -1.935 1.00 0.00 H new ATOM 0 HA THR A 45 9.009 8.347 -4.108 1.00 0.00 H new ATOM 0 HB THR A 45 11.371 8.118 -2.384 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.122 10.175 -2.701 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.619 8.431 -4.500 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.424 7.114 -4.583 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.074 8.683 -5.347 1.00 0.00 H new ATOM 714 N LEU A 46 9.272 5.975 -3.239 1.00 0.00 N ATOM 715 CA LEU A 46 8.881 4.611 -2.902 1.00 0.00 C ATOM 716 C LEU A 46 9.471 4.176 -1.561 1.00 0.00 C ATOM 717 O LEU A 46 8.751 3.728 -0.674 1.00 0.00 O ATOM 718 CB LEU A 46 9.341 3.680 -4.038 1.00 0.00 C ATOM 719 CG LEU A 46 8.818 2.237 -3.917 1.00 0.00 C ATOM 720 CD1 LEU A 46 7.333 2.156 -4.294 1.00 0.00 C ATOM 721 CD2 LEU A 46 9.618 1.320 -4.848 1.00 0.00 C ATOM 0 H LEU A 46 9.678 6.047 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 46 7.797 4.559 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.012 4.096 -4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.431 3.660 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 46 8.936 1.919 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.989 1.126 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.753 2.794 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.200 2.490 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.246 0.299 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.506 1.660 -5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.671 1.348 -4.569 1.00 0.00 H new ATOM 733 N ASP A 47 10.793 4.309 -1.430 1.00 0.00 N ATOM 734 CA ASP A 47 11.562 3.864 -0.292 1.00 0.00 C ATOM 735 C ASP A 47 11.170 4.716 0.905 1.00 0.00 C ATOM 736 O ASP A 47 10.788 4.189 1.935 1.00 0.00 O ATOM 737 CB ASP A 47 13.068 3.988 -0.582 1.00 0.00 C ATOM 738 CG ASP A 47 13.561 3.082 -1.701 1.00 0.00 C ATOM 739 OD1 ASP A 47 13.422 1.846 -1.567 1.00 0.00 O ATOM 740 OD2 ASP A 47 14.172 3.623 -2.655 1.00 0.00 O ATOM 0 H ASP A 47 11.369 4.748 -2.148 1.00 0.00 H new ATOM 0 HA ASP A 47 11.354 2.815 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.294 5.023 -0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.623 3.759 0.328 1.00 0.00 H new ATOM 745 N GLU A 48 11.245 6.039 0.764 1.00 0.00 N ATOM 746 CA GLU A 48 10.925 7.002 1.812 1.00 0.00 C ATOM 747 C GLU A 48 9.514 6.780 2.377 1.00 0.00 C ATOM 748 O GLU A 48 9.270 6.966 3.572 1.00 0.00 O ATOM 749 CB GLU A 48 11.076 8.407 1.224 1.00 0.00 C ATOM 750 CG GLU A 48 12.501 8.641 0.695 1.00 0.00 C ATOM 751 CD GLU A 48 12.580 9.927 -0.094 1.00 0.00 C ATOM 752 OE1 GLU A 48 12.111 10.959 0.435 1.00 0.00 O ATOM 753 OE2 GLU A 48 13.095 9.888 -1.234 1.00 0.00 O ATOM 0 H GLU A 48 11.538 6.481 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 48 11.610 6.873 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.358 8.544 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.842 9.150 1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.201 8.678 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.801 7.804 0.064 1.00 0.00 H new ATOM 760 N LEU A 49 8.576 6.397 1.511 1.00 0.00 N ATOM 761 CA LEU A 49 7.230 6.023 1.903 1.00 0.00 C ATOM 762 C LEU A 49 7.232 4.679 2.627 1.00 0.00 C ATOM 763 O LEU A 49 6.956 4.612 3.829 1.00 0.00 O ATOM 764 CB LEU A 49 6.350 6.018 0.643 1.00 0.00 C ATOM 765 CG LEU A 49 4.908 5.567 0.890 1.00 0.00 C ATOM 766 CD1 LEU A 49 4.222 6.412 1.972 1.00 0.00 C ATOM 767 CD2 LEU A 49 4.125 5.670 -0.423 1.00 0.00 C ATOM 0 H LEU A 49 8.738 6.339 0.506 1.00 0.00 H new ATOM 0 HA LEU A 49 6.820 6.743 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.338 7.021 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.802 5.362 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 49 4.926 4.536 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.201 6.059 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.773 6.321 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.204 7.457 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.096 5.351 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.134 6.703 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.588 5.030 -1.174 1.00 0.00 H new ATOM 779 N PHE A 50 7.543 3.614 1.884 1.00 0.00 N ATOM 780 CA PHE A 50 7.602 2.251 2.343 1.00 0.00 C ATOM 781 C PHE A 50 8.354 2.166 3.677 1.00 0.00 C ATOM 782 O PHE A 50 7.980 1.372 4.522 1.00 0.00 O ATOM 783 CB PHE A 50 8.262 1.451 1.214 1.00 0.00 C ATOM 784 CG PHE A 50 8.556 0.019 1.556 1.00 0.00 C ATOM 785 CD1 PHE A 50 9.680 -0.237 2.354 1.00 0.00 C ATOM 786 CD2 PHE A 50 7.731 -1.033 1.118 1.00 0.00 C ATOM 787 CE1 PHE A 50 10.002 -1.549 2.723 1.00 0.00 C ATOM 788 CE2 PHE A 50 8.023 -2.345 1.540 1.00 0.00 C ATOM 789 CZ PHE A 50 9.191 -2.604 2.282 1.00 0.00 C ATOM 0 H PHE A 50 7.771 3.700 0.893 1.00 0.00 H new ATOM 0 HA PHE A 50 6.616 1.837 2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.612 1.476 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.193 1.943 0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.301 0.582 2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.889 -0.838 0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.866 -1.746 3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.350 -3.153 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.464 -3.623 2.513 1.00 0.00 H new ATOM 799 N GLU A 51 9.390 2.971 3.915 1.00 0.00 N ATOM 800 CA GLU A 51 10.153 2.851 5.158 1.00 0.00 C ATOM 801 C GLU A 51 9.370 3.214 6.430 1.00 0.00 C ATOM 802 O GLU A 51 9.697 2.685 7.499 1.00 0.00 O ATOM 803 CB GLU A 51 11.437 3.709 5.095 1.00 0.00 C ATOM 804 CG GLU A 51 12.632 3.128 4.315 1.00 0.00 C ATOM 805 CD GLU A 51 13.845 4.067 4.355 1.00 0.00 C ATOM 806 OE1 GLU A 51 14.107 4.618 5.447 1.00 0.00 O ATOM 807 OE2 GLU A 51 14.523 4.220 3.307 1.00 0.00 O ATOM 0 H GLU A 51 9.715 3.699 3.279 1.00 0.00 H new ATOM 0 HA GLU A 51 10.396 1.791 5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.180 4.671 4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.763 3.905 6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.906 2.161 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.341 2.953 3.279 1.00 0.00 H new ATOM 814 N GLU A 52 8.375 4.106 6.364 1.00 0.00 N ATOM 815 CA GLU A 52 7.458 4.281 7.486 1.00 0.00 C ATOM 816 C GLU A 52 6.533 3.073 7.553 1.00 0.00 C ATOM 817 O GLU A 52 6.137 2.607 8.630 1.00 0.00 O ATOM 818 CB GLU A 52 6.652 5.574 7.307 1.00 0.00 C ATOM 819 CG GLU A 52 5.537 5.659 8.370 1.00 0.00 C ATOM 820 CD GLU A 52 5.208 7.094 8.763 1.00 0.00 C ATOM 821 OE1 GLU A 52 6.021 7.648 9.536 1.00 0.00 O ATOM 822 OE2 GLU A 52 4.176 7.641 8.304 1.00 0.00 O ATOM 0 H GLU A 52 8.189 4.706 5.560 1.00 0.00 H new ATOM 0 HA GLU A 52 8.017 4.359 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.312 6.437 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.216 5.604 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.638 5.176 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.843 5.105 9.257 1.00 0.00 H new ATOM 829 N LEU A 53 6.121 2.635 6.369 1.00 0.00 N ATOM 830 CA LEU A 53 5.103 1.634 6.203 1.00 0.00 C ATOM 831 C LEU A 53 5.572 0.260 6.681 1.00 0.00 C ATOM 832 O LEU A 53 4.814 -0.375 7.406 1.00 0.00 O ATOM 833 CB LEU A 53 4.679 1.599 4.731 1.00 0.00 C ATOM 834 CG LEU A 53 3.938 2.857 4.258 1.00 0.00 C ATOM 835 CD1 LEU A 53 3.550 2.658 2.794 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.675 3.147 5.076 1.00 0.00 C ATOM 0 H LEU A 53 6.500 2.980 5.487 1.00 0.00 H new ATOM 0 HA LEU A 53 4.245 1.896 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.566 1.460 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.039 0.732 4.570 1.00 0.00 H new ATOM 0 HG LEU A 53 4.605 3.709 4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.021 3.541 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.449 2.505 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.903 1.786 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.194 4.048 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.987 2.306 4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.945 3.294 6.122 1.00 0.00 H new ATOM 848 N ASP A 54 6.773 -0.217 6.324 1.00 0.00 N ATOM 849 CA ASP A 54 7.210 -1.528 6.765 1.00 0.00 C ATOM 850 C ASP A 54 7.581 -1.351 8.233 1.00 0.00 C ATOM 851 O ASP A 54 8.594 -0.719 8.545 1.00 0.00 O ATOM 852 CB ASP A 54 8.398 -2.056 5.944 1.00 0.00 C ATOM 853 CG ASP A 54 8.785 -3.473 6.367 1.00 0.00 C ATOM 854 OD1 ASP A 54 8.111 -4.038 7.268 1.00 0.00 O ATOM 855 OD2 ASP A 54 9.757 -4.011 5.795 1.00 0.00 O ATOM 0 H ASP A 54 7.442 0.284 5.740 1.00 0.00 H new ATOM 0 HA ASP A 54 6.425 -2.271 6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.142 -2.049 4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.253 -1.391 6.070 1.00 0.00 H new ATOM 860 N LYS A 55 6.719 -1.797 9.143 1.00 0.00 N ATOM 861 CA LYS A 55 6.911 -1.513 10.551 1.00 0.00 C ATOM 862 C LYS A 55 8.213 -2.154 11.024 1.00 0.00 C ATOM 863 O LYS A 55 9.095 -1.486 11.564 1.00 0.00 O ATOM 864 CB LYS A 55 5.702 -1.990 11.374 1.00 0.00 C ATOM 865 CG LYS A 55 5.898 -1.787 12.888 1.00 0.00 C ATOM 866 CD LYS A 55 6.285 -0.353 13.295 1.00 0.00 C ATOM 867 CE LYS A 55 5.123 0.619 13.084 1.00 0.00 C ATOM 868 NZ LYS A 55 5.455 2.031 13.372 1.00 0.00 N ATOM 0 H LYS A 55 5.890 -2.351 8.928 1.00 0.00 H new ATOM 0 HA LYS A 55 6.987 -0.436 10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.812 -1.450 11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.524 -3.046 11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.976 -2.060 13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.671 -2.471 13.236 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.587 -0.339 14.342 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.145 -0.027 12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.781 0.541 12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.291 0.316 13.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.618 2.625 13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.753 2.122 14.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.228 2.340 12.749 1.00 0.00 H new ATOM 882 N ASN A 56 8.321 -3.463 10.809 1.00 0.00 N ATOM 883 CA ASN A 56 9.427 -4.249 11.331 1.00 0.00 C ATOM 884 C ASN A 56 10.711 -3.940 10.562 1.00 0.00 C ATOM 885 O ASN A 56 11.799 -3.992 11.136 1.00 0.00 O ATOM 886 CB ASN A 56 9.073 -5.739 11.230 1.00 0.00 C ATOM 887 CG ASN A 56 9.976 -6.628 12.079 1.00 0.00 C ATOM 888 OD1 ASN A 56 11.093 -6.259 12.438 1.00 0.00 O ATOM 889 ND2 ASN A 56 9.489 -7.813 12.423 1.00 0.00 N ATOM 0 H ASN A 56 7.645 -4.004 10.270 1.00 0.00 H new ATOM 0 HA ASN A 56 9.597 -3.992 12.377 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.038 -5.882 11.540 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.140 -6.052 10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.044 -8.445 13.000 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.559 -8.092 12.111 1.00 0.00 H new ATOM 896 N GLY A 57 10.606 -3.634 9.267 1.00 0.00 N ATOM 897 CA GLY A 57 11.775 -3.579 8.404 1.00 0.00 C ATOM 898 C GLY A 57 12.144 -5.024 8.093 1.00 0.00 C ATOM 899 O GLY A 57 13.102 -5.569 8.651 1.00 0.00 O ATOM 0 H GLY A 57 9.724 -3.422 8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.558 -3.028 7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.599 -3.065 8.898 1.00 0.00 H new ATOM 903 N ASP A 58 11.322 -5.655 7.255 1.00 0.00 N ATOM 904 CA ASP A 58 11.384 -7.065 6.898 1.00 0.00 C ATOM 905 C ASP A 58 11.406 -7.222 5.384 1.00 0.00 C ATOM 906 O ASP A 58 11.878 -8.253 4.884 1.00 0.00 O ATOM 907 CB ASP A 58 10.209 -7.839 7.504 1.00 0.00 C ATOM 908 CG ASP A 58 8.862 -7.193 7.242 1.00 0.00 C ATOM 909 OD1 ASP A 58 8.510 -6.849 6.097 1.00 0.00 O ATOM 910 OD2 ASP A 58 8.115 -6.997 8.223 1.00 0.00 O ATOM 0 H ASP A 58 10.558 -5.169 6.785 1.00 0.00 H new ATOM 0 HA ASP A 58 12.304 -7.482 7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.203 -8.851 7.099 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.358 -7.927 8.580 1.00 0.00 H new ATOM 915 N GLY A 59 10.947 -6.211 4.647 1.00 0.00 N ATOM 916 CA GLY A 59 11.020 -6.173 3.209 1.00 0.00 C ATOM 917 C GLY A 59 9.647 -6.118 2.568 1.00 0.00 C ATOM 918 O GLY A 59 9.597 -5.887 1.353 1.00 0.00 O ATOM 0 H GLY A 59 10.507 -5.385 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.599 -5.303 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.552 -7.054 2.850 1.00 0.00 H new ATOM 922 N GLU A 60 8.558 -6.270 3.338 1.00 0.00 N ATOM 923 CA GLU A 60 7.236 -6.099 2.800 1.00 0.00 C ATOM 924 C GLU A 60 6.324 -5.284 3.729 1.00 0.00 C ATOM 925 O GLU A 60 6.565 -5.150 4.930 1.00 0.00 O ATOM 926 CB GLU A 60 6.650 -7.477 2.544 1.00 0.00 C ATOM 927 CG GLU A 60 7.450 -8.381 1.584 1.00 0.00 C ATOM 928 CD GLU A 60 8.474 -9.287 2.250 1.00 0.00 C ATOM 929 OE1 GLU A 60 8.146 -9.897 3.291 1.00 0.00 O ATOM 930 OE2 GLU A 60 9.578 -9.458 1.681 1.00 0.00 O ATOM 0 H GLU A 60 8.586 -6.510 4.329 1.00 0.00 H new ATOM 0 HA GLU A 60 7.305 -5.532 1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.551 -7.992 3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.644 -7.354 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.749 -9.001 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.964 -7.749 0.860 1.00 0.00 H new ATOM 937 N VAL A 61 5.236 -4.794 3.142 1.00 0.00 N ATOM 938 CA VAL A 61 4.071 -4.245 3.797 1.00 0.00 C ATOM 939 C VAL A 61 3.033 -5.367 3.764 1.00 0.00 C ATOM 940 O VAL A 61 3.121 -6.277 2.941 1.00 0.00 O ATOM 941 CB VAL A 61 3.604 -2.981 3.047 1.00 0.00 C ATOM 942 CG1 VAL A 61 2.292 -2.404 3.594 1.00 0.00 C ATOM 943 CG2 VAL A 61 4.680 -1.895 3.161 1.00 0.00 C ATOM 0 H VAL A 61 5.147 -4.772 2.126 1.00 0.00 H new ATOM 0 HA VAL A 61 4.258 -3.931 4.824 1.00 0.00 H new ATOM 0 HB VAL A 61 3.435 -3.280 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.019 -1.517 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.502 -3.150 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.422 -2.135 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.352 -1.001 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.845 -1.655 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.610 -2.256 2.721 1.00 0.00 H new ATOM 953 N SER A 62 2.027 -5.294 4.621 1.00 0.00 N ATOM 954 CA SER A 62 0.830 -6.107 4.585 1.00 0.00 C ATOM 955 C SER A 62 -0.297 -5.147 4.981 1.00 0.00 C ATOM 956 O SER A 62 0.003 -4.034 5.418 1.00 0.00 O ATOM 957 CB SER A 62 0.952 -7.273 5.566 1.00 0.00 C ATOM 958 OG SER A 62 1.008 -6.781 6.889 1.00 0.00 O ATOM 0 H SER A 62 2.027 -4.632 5.397 1.00 0.00 H new ATOM 0 HA SER A 62 0.649 -6.556 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.101 -7.945 5.454 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.848 -7.853 5.346 1.00 0.00 H new ATOM 0 HG SER A 62 1.084 -7.532 7.514 1.00 0.00 H new ATOM 964 N PHE A 63 -1.567 -5.548 4.868 1.00 0.00 N ATOM 965 CA PHE A 63 -2.700 -4.707 5.251 1.00 0.00 C ATOM 966 C PHE A 63 -2.484 -4.016 6.605 1.00 0.00 C ATOM 967 O PHE A 63 -2.776 -2.828 6.755 1.00 0.00 O ATOM 968 CB PHE A 63 -3.984 -5.522 5.207 1.00 0.00 C ATOM 969 CG PHE A 63 -5.205 -4.794 5.730 1.00 0.00 C ATOM 970 CD1 PHE A 63 -5.486 -4.761 7.109 1.00 0.00 C ATOM 971 CD2 PHE A 63 -5.943 -3.980 4.855 1.00 0.00 C ATOM 972 CE1 PHE A 63 -6.543 -3.967 7.585 1.00 0.00 C ATOM 973 CE2 PHE A 63 -7.105 -3.330 5.313 1.00 0.00 C ATOM 974 CZ PHE A 63 -7.450 -3.396 6.673 1.00 0.00 C ATOM 0 H PHE A 63 -1.836 -6.464 4.509 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.788 -3.897 4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.171 -5.827 4.177 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.842 -6.433 5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.892 -5.343 7.798 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.620 -3.853 3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.659 -3.796 8.645 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.729 -2.783 4.621 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.400 -3.013 7.015 1.00 0.00 H new ATOM 984 N GLU A 64 -1.948 -4.772 7.569 1.00 0.00 N ATOM 985 CA GLU A 64 -1.679 -4.351 8.936 1.00 0.00 C ATOM 986 C GLU A 64 -0.896 -3.037 9.000 1.00 0.00 C ATOM 987 O GLU A 64 -1.231 -2.120 9.752 1.00 0.00 O ATOM 988 CB GLU A 64 -0.870 -5.467 9.618 1.00 0.00 C ATOM 989 CG GLU A 64 -0.731 -5.254 11.133 1.00 0.00 C ATOM 990 CD GLU A 64 -2.032 -4.896 11.838 1.00 0.00 C ATOM 991 OE1 GLU A 64 -2.997 -5.694 11.795 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.071 -3.810 12.462 1.00 0.00 O ATOM 0 H GLU A 64 -1.679 -5.742 7.402 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.629 -4.177 9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.353 -6.426 9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.122 -5.518 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.327 -6.162 11.580 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.005 -4.461 11.311 1.00 0.00 H new ATOM 999 N GLU A 65 0.196 -2.979 8.243 1.00 0.00 N ATOM 1000 CA GLU A 65 1.117 -1.850 8.222 1.00 0.00 C ATOM 1001 C GLU A 65 0.571 -0.823 7.230 1.00 0.00 C ATOM 1002 O GLU A 65 0.643 0.383 7.458 1.00 0.00 O ATOM 1003 CB GLU A 65 2.557 -2.296 7.883 1.00 0.00 C ATOM 1004 CG GLU A 65 2.703 -3.812 7.792 1.00 0.00 C ATOM 1005 CD GLU A 65 4.126 -4.316 7.586 1.00 0.00 C ATOM 1006 OE1 GLU A 65 5.116 -3.782 8.116 1.00 0.00 O ATOM 1007 OE2 GLU A 65 4.286 -5.319 6.861 1.00 0.00 O ATOM 0 H GLU A 65 0.470 -3.733 7.613 1.00 0.00 H new ATOM 0 HA GLU A 65 1.183 -1.396 9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.856 -1.850 6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.238 -1.915 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.307 -4.255 8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.085 -4.172 6.970 1.00 0.00 H new ATOM 1014 N PHE A 66 -0.025 -1.328 6.145 1.00 0.00 N ATOM 1015 CA PHE A 66 -0.706 -0.516 5.141 1.00 0.00 C ATOM 1016 C PHE A 66 -1.738 0.433 5.766 1.00 0.00 C ATOM 1017 O PHE A 66 -1.971 1.511 5.223 1.00 0.00 O ATOM 1018 CB PHE A 66 -1.349 -1.427 4.096 1.00 0.00 C ATOM 1019 CG PHE A 66 -2.079 -0.727 2.975 1.00 0.00 C ATOM 1020 CD1 PHE A 66 -3.434 -0.384 3.138 1.00 0.00 C ATOM 1021 CD2 PHE A 66 -1.435 -0.480 1.750 1.00 0.00 C ATOM 1022 CE1 PHE A 66 -4.119 0.269 2.102 1.00 0.00 C ATOM 1023 CE2 PHE A 66 -2.151 0.088 0.681 1.00 0.00 C ATOM 1024 CZ PHE A 66 -3.490 0.478 0.862 1.00 0.00 C ATOM 0 H PHE A 66 -0.046 -2.327 5.940 1.00 0.00 H new ATOM 0 HA PHE A 66 0.036 0.117 4.654 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.572 -2.055 3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.050 -2.091 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.946 -0.623 4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.390 -0.726 1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.131 0.612 2.257 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.673 0.225 -0.278 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.034 0.937 0.050 1.00 0.00 H new ATOM 1034 N GLN A 67 -2.340 0.079 6.911 1.00 0.00 N ATOM 1035 CA GLN A 67 -3.182 1.014 7.663 1.00 0.00 C ATOM 1036 C GLN A 67 -2.534 2.405 7.819 1.00 0.00 C ATOM 1037 O GLN A 67 -3.230 3.418 7.791 1.00 0.00 O ATOM 1038 CB GLN A 67 -3.646 0.433 9.015 1.00 0.00 C ATOM 1039 CG GLN A 67 -4.242 -0.969 8.981 1.00 0.00 C ATOM 1040 CD GLN A 67 -5.452 -1.004 8.068 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -6.580 -0.766 8.512 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -5.210 -1.307 6.799 1.00 0.00 N ATOM 0 H GLN A 67 -2.258 -0.846 7.334 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.080 1.160 7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.794 0.425 9.694 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.387 1.109 9.441 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.494 -1.681 8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.528 -1.274 9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.255 -1.494 6.492 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.979 -1.353 6.130 1.00 0.00 H new ATOM 1051 N VAL A 68 -1.205 2.486 7.932 1.00 0.00 N ATOM 1052 CA VAL A 68 -0.520 3.772 7.974 1.00 0.00 C ATOM 1053 C VAL A 68 -0.605 4.494 6.615 1.00 0.00 C ATOM 1054 O VAL A 68 -0.757 5.715 6.568 1.00 0.00 O ATOM 1055 CB VAL A 68 0.917 3.594 8.491 1.00 0.00 C ATOM 1056 CG1 VAL A 68 1.612 4.953 8.642 1.00 0.00 C ATOM 1057 CG2 VAL A 68 0.920 2.906 9.865 1.00 0.00 C ATOM 0 H VAL A 68 -0.588 1.677 7.996 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.026 4.426 8.684 1.00 0.00 H new ATOM 0 HB VAL A 68 1.448 2.980 7.764 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.627 4.804 9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.646 5.454 7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.057 5.569 9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.947 2.790 10.212 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.363 3.514 10.578 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.452 1.925 9.782 1.00 0.00 H new ATOM 1067 N LEU A 69 -0.575 3.780 5.487 1.00 0.00 N ATOM 1068 CA LEU A 69 -0.828 4.418 4.199 1.00 0.00 C ATOM 1069 C LEU A 69 -2.270 4.915 4.127 1.00 0.00 C ATOM 1070 O LEU A 69 -2.516 6.011 3.625 1.00 0.00 O ATOM 1071 CB LEU A 69 -0.511 3.502 3.014 1.00 0.00 C ATOM 1072 CG LEU A 69 -0.665 4.308 1.707 1.00 0.00 C ATOM 1073 CD1 LEU A 69 0.612 4.246 0.879 1.00 0.00 C ATOM 1074 CD2 LEU A 69 -1.871 3.826 0.904 1.00 0.00 C ATOM 0 H LEU A 69 -0.382 2.780 5.441 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.152 5.270 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.503 3.112 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.183 2.644 3.010 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.841 5.351 1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.480 4.821 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.439 4.664 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.833 3.209 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.956 4.411 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.743 2.773 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.776 3.949 1.498 1.00 0.00 H new ATOM 1086 N VAL A 70 -3.226 4.141 4.655 1.00 0.00 N ATOM 1087 CA VAL A 70 -4.599 4.622 4.773 1.00 0.00 C ATOM 1088 C VAL A 70 -4.643 5.979 5.497 1.00 0.00 C ATOM 1089 O VAL A 70 -5.519 6.795 5.217 1.00 0.00 O ATOM 1090 CB VAL A 70 -5.526 3.586 5.430 1.00 0.00 C ATOM 1091 CG1 VAL A 70 -6.981 4.064 5.342 1.00 0.00 C ATOM 1092 CG2 VAL A 70 -5.446 2.227 4.727 1.00 0.00 C ATOM 0 H VAL A 70 -3.074 3.194 5.001 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.981 4.772 3.763 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.204 3.478 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.635 3.327 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.082 5.018 5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.261 4.187 4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.115 1.522 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.742 2.339 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.424 1.852 4.776 1.00 0.00 H new ATOM 1102 N LYS A 71 -3.688 6.265 6.388 1.00 0.00 N ATOM 1103 CA LYS A 71 -3.475 7.631 6.854 1.00 0.00 C ATOM 1104 C LYS A 71 -2.917 8.524 5.726 1.00 0.00 C ATOM 1105 O LYS A 71 -3.546 9.523 5.379 1.00 0.00 O ATOM 1106 CB LYS A 71 -2.594 7.661 8.114 1.00 0.00 C ATOM 1107 CG LYS A 71 -2.681 9.014 8.830 1.00 0.00 C ATOM 1108 CD LYS A 71 -3.822 9.111 9.856 1.00 0.00 C ATOM 1109 CE LYS A 71 -3.517 8.285 11.115 1.00 0.00 C ATOM 1110 NZ LYS A 71 -4.204 8.808 12.314 1.00 0.00 N ATOM 0 H LYS A 71 -3.058 5.574 6.795 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.442 8.046 7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.904 6.868 8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.558 7.459 7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.735 9.206 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.809 9.799 8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.977 10.154 10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.750 8.760 9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.819 7.251 10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.441 8.279 11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.966 8.217 13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.898 9.786 12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.232 8.790 12.160 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.741 8.217 5.154 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.034 9.118 4.264 1.00 0.00 C ATOM 1126 C LYS A 72 -1.762 9.403 2.941 1.00 0.00 C ATOM 1127 O LYS A 72 -1.439 10.385 2.275 1.00 0.00 O ATOM 1128 CB LYS A 72 0.413 8.661 4.054 1.00 0.00 C ATOM 1129 CG LYS A 72 1.418 9.134 5.126 1.00 0.00 C ATOM 1130 CD LYS A 72 2.828 9.338 4.527 1.00 0.00 C ATOM 1131 CE LYS A 72 3.812 9.911 5.569 1.00 0.00 C ATOM 1132 NZ LYS A 72 5.131 10.287 5.006 1.00 0.00 N ATOM 0 H LYS A 72 -1.262 7.329 5.305 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.012 10.083 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.431 7.572 4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.751 9.017 3.081 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.070 10.068 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.466 8.401 5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.206 8.386 4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.767 10.014 3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.363 10.788 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.961 9.173 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.737 10.663 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.581 9.449 4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.001 11.014 4.273 1.00 0.00 H new ATOM 1146 N ILE A 73 -2.779 8.638 2.540 1.00 0.00 N ATOM 1147 CA ILE A 73 -3.607 9.094 1.416 1.00 0.00 C ATOM 1148 C ILE A 73 -4.216 10.474 1.742 1.00 0.00 C ATOM 1149 O ILE A 73 -4.357 11.324 0.861 1.00 0.00 O ATOM 1150 CB ILE A 73 -4.715 8.082 1.090 1.00 0.00 C ATOM 1151 CG1 ILE A 73 -5.422 7.608 2.365 1.00 0.00 C ATOM 1152 CG2 ILE A 73 -4.143 6.879 0.327 1.00 0.00 C ATOM 1153 CD1 ILE A 73 -6.859 7.172 2.110 1.00 0.00 C ATOM 0 H ILE A 73 -3.043 7.743 2.951 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.971 9.181 0.535 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.447 8.584 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.865 6.777 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.415 8.413 3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.944 6.174 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.692 7.220 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.386 6.387 0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.312 6.846 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.427 8.009 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.868 6.348 1.397 1.00 0.00 H new ATOM 1165 N SER A 74 -4.487 10.736 3.024 1.00 0.00 N ATOM 1166 CA SER A 74 -4.967 12.012 3.528 1.00 0.00 C ATOM 1167 C SER A 74 -3.801 12.897 3.976 1.00 0.00 C ATOM 1168 O SER A 74 -4.022 13.844 4.727 1.00 0.00 O ATOM 1169 CB SER A 74 -5.924 11.753 4.694 1.00 0.00 C ATOM 1170 OG SER A 74 -6.896 10.793 4.313 1.00 0.00 O ATOM 0 H SER A 74 -4.372 10.038 3.759 1.00 0.00 H new ATOM 0 HA SER A 74 -5.492 12.540 2.732 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.368 11.397 5.561 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.413 12.682 4.989 1.00 0.00 H new ATOM 0 HG SER A 74 -7.505 10.629 5.063 1.00 0.00 H new ATOM 1176 N GLN A 75 -2.565 12.622 3.537 1.00 0.00 N ATOM 1177 CA GLN A 75 -1.441 13.498 3.846 1.00 0.00 C ATOM 1178 C GLN A 75 -1.679 14.880 3.234 1.00 0.00 C ATOM 1179 O GLN A 75 -2.488 15.026 2.313 1.00 0.00 O ATOM 1180 CB GLN A 75 -0.071 12.854 3.505 1.00 0.00 C ATOM 1181 CG GLN A 75 0.672 13.237 2.208 1.00 0.00 C ATOM 1182 CD GLN A 75 -0.179 13.536 0.972 1.00 0.00 C ATOM 1183 OE1 GLN A 75 0.037 14.557 0.308 1.00 0.00 O ATOM 1184 NE2 GLN A 75 -1.133 12.666 0.654 1.00 0.00 N ATOM 0 H GLN A 75 -2.326 11.807 2.973 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.385 13.644 4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.601 13.068 4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.219 11.774 3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.283 14.115 2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.355 12.425 1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.278 11.836 1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.719 12.829 -0.165 1.00 0.00 H new TER 1193 GLN A 75 HETATM 1194 CA CA A 76 2.892 -10.178 -2.705 1.00 0.00 CA HETATM 1195 CA CA A 77 6.534 -5.652 7.219 1.00 0.00 CA