USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 490 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 1 MET CE :methyl 170:sc=-0.00171 (180deg=-0.155) USER MOD Set 1.2: A 53 TYR OH : rot 130:sc= 0 USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.307 (180deg=-0.324) USER MOD Single : A 2 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0334) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.0251 (180deg=-0.24) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.418 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.244 K(o=-0.24,f=-7.3!) USER MOD Single : A 18 THR OG1 : rot -80:sc= 0.631 USER MOD Single : A 23 ASN : amide:sc= 0.149 X(o=0.15,f=-0.24) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.757 K(o=0.76,f=-5.6!) USER MOD Single : A 33 SER OG : rot -32:sc= 0.799 USER MOD Single : A 34 CYS SG : rot 92:sc= -5.52! USER MOD Single : A 36 THR OG1 : rot 127:sc= 0.209 USER MOD Single : A 40 MET CE :methyl 137:sc= -0.116 (180deg=-0.691) USER MOD Single : A 42 ASN : amide:sc= -0.0361 K(o=-0.036,f=-2.9!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 48 LYS NZ :NH3+ -139:sc= 0.419 (180deg=-1.28!) USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= -0.848 (180deg=-2.62!) USER MOD Single : A 56 ASN : amide:sc=-0.00334 X(o=-0.0033,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.956 0.429 -7.796 1.00 0.00 N ATOM 2 CA MET A 1 5.703 1.714 -7.729 1.00 0.00 C ATOM 3 C MET A 1 4.825 2.850 -7.151 1.00 0.00 C ATOM 4 O MET A 1 5.173 4.030 -7.283 1.00 0.00 O ATOM 5 CB MET A 1 6.233 2.085 -9.145 1.00 0.00 C ATOM 6 CG MET A 1 7.143 1.020 -9.781 1.00 0.00 C ATOM 7 SD MET A 1 7.751 1.492 -11.419 1.00 0.00 S ATOM 8 CE MET A 1 8.865 2.847 -11.037 1.00 0.00 C ATOM 0 H1 MET A 1 5.583 -0.319 -8.156 1.00 0.00 H new ATOM 0 H2 MET A 1 4.621 0.172 -6.846 1.00 0.00 H new ATOM 0 H3 MET A 1 4.141 0.534 -8.434 1.00 0.00 H new ATOM 0 HA MET A 1 6.550 1.588 -7.054 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.382 2.259 -9.804 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.783 3.024 -9.079 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.993 0.837 -9.123 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.594 0.082 -9.860 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.437 3.110 -11.927 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.288 3.711 -10.708 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.548 2.544 -10.243 1.00 0.00 H new ATOM 18 N LYS A 2 3.696 2.478 -6.498 1.00 0.00 N ATOM 19 CA LYS A 2 2.772 3.437 -5.852 1.00 0.00 C ATOM 20 C LYS A 2 3.464 4.125 -4.656 1.00 0.00 C ATOM 21 O LYS A 2 3.646 3.515 -3.596 1.00 0.00 O ATOM 22 CB LYS A 2 1.472 2.721 -5.385 1.00 0.00 C ATOM 23 CG LYS A 2 0.594 2.161 -6.523 1.00 0.00 C ATOM 24 CD LYS A 2 -0.678 1.447 -5.991 1.00 0.00 C ATOM 25 CE LYS A 2 -1.628 2.385 -5.212 1.00 0.00 C ATOM 26 NZ LYS A 2 -2.128 3.501 -6.057 1.00 0.00 N ATOM 0 H LYS A 2 3.403 1.505 -6.406 1.00 0.00 H new ATOM 0 HA LYS A 2 2.500 4.197 -6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.745 1.902 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.878 3.423 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.300 2.975 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.179 1.460 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.219 1.010 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.379 0.624 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.473 1.811 -4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.105 2.792 -4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.813 4.066 -5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.331 4.104 -6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.590 3.114 -6.905 1.00 0.00 H new ATOM 40 N ARG A 3 3.847 5.392 -4.849 1.00 0.00 N ATOM 41 CA ARG A 3 4.590 6.187 -3.854 1.00 0.00 C ATOM 42 C ARG A 3 4.257 7.676 -4.060 1.00 0.00 C ATOM 43 O ARG A 3 3.807 8.055 -5.145 1.00 0.00 O ATOM 44 CB ARG A 3 6.121 5.910 -4.004 1.00 0.00 C ATOM 45 CG ARG A 3 7.023 6.597 -2.954 1.00 0.00 C ATOM 46 CD ARG A 3 8.515 6.237 -3.100 1.00 0.00 C ATOM 47 NE ARG A 3 8.742 4.790 -2.928 1.00 0.00 N ATOM 48 CZ ARG A 3 9.067 4.188 -1.773 1.00 0.00 C ATOM 49 NH1 ARG A 3 9.204 4.879 -0.650 1.00 0.00 N ATOM 50 NH2 ARG A 3 9.232 2.879 -1.751 1.00 0.00 N ATOM 0 H ARG A 3 3.649 5.904 -5.709 1.00 0.00 H new ATOM 0 HA ARG A 3 4.300 5.906 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.285 4.834 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.436 6.233 -4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 3 6.908 7.678 -3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.685 6.317 -1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.871 6.548 -4.082 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.097 6.788 -2.361 1.00 0.00 H new ATOM 0 HE ARG A 3 8.644 4.199 -3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.062 5.889 -0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.451 4.401 0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.113 2.335 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.479 2.411 -0.879 1.00 0.00 H new ATOM 64 N ALA A 4 4.458 8.507 -3.015 1.00 0.00 N ATOM 65 CA ALA A 4 4.241 9.967 -3.082 1.00 0.00 C ATOM 66 C ALA A 4 5.322 10.638 -3.943 1.00 0.00 C ATOM 67 O ALA A 4 5.058 11.642 -4.595 1.00 0.00 O ATOM 68 CB ALA A 4 4.208 10.578 -1.676 1.00 0.00 C ATOM 0 H ALA A 4 4.775 8.184 -2.101 1.00 0.00 H new ATOM 0 HA ALA A 4 3.273 10.145 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.047 11.654 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.397 10.129 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.156 10.387 -1.174 1.00 0.00 H new ATOM 74 N ALA A 5 6.543 10.060 -3.917 1.00 0.00 N ATOM 75 CA ALA A 5 7.661 10.472 -4.791 1.00 0.00 C ATOM 76 C ALA A 5 7.319 10.207 -6.269 1.00 0.00 C ATOM 77 O ALA A 5 7.592 11.043 -7.134 1.00 0.00 O ATOM 78 CB ALA A 5 8.942 9.724 -4.393 1.00 0.00 C ATOM 0 H ALA A 5 6.780 9.293 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 5 7.826 11.542 -4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.761 10.034 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.192 9.956 -3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.783 8.651 -4.496 1.00 0.00 H new ATOM 84 N ALA A 6 6.709 9.027 -6.522 1.00 0.00 N ATOM 85 CA ALA A 6 6.212 8.637 -7.855 1.00 0.00 C ATOM 86 C ALA A 6 5.096 9.582 -8.311 1.00 0.00 C ATOM 87 O ALA A 6 5.117 10.066 -9.437 1.00 0.00 O ATOM 88 CB ALA A 6 5.715 7.183 -7.844 1.00 0.00 C ATOM 0 H ALA A 6 6.549 8.320 -5.805 1.00 0.00 H new ATOM 0 HA ALA A 6 7.038 8.712 -8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.353 6.915 -8.836 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.535 6.520 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.905 7.081 -7.122 1.00 0.00 H new ATOM 94 N LYS A 7 4.144 9.846 -7.391 1.00 0.00 N ATOM 95 CA LYS A 7 3.007 10.764 -7.607 1.00 0.00 C ATOM 96 C LYS A 7 3.499 12.185 -7.920 1.00 0.00 C ATOM 97 O LYS A 7 2.918 12.869 -8.759 1.00 0.00 O ATOM 98 CB LYS A 7 2.075 10.768 -6.351 1.00 0.00 C ATOM 99 CG LYS A 7 1.078 11.959 -6.269 1.00 0.00 C ATOM 100 CD LYS A 7 0.070 11.848 -5.099 1.00 0.00 C ATOM 101 CE LYS A 7 -0.979 10.743 -5.321 1.00 0.00 C ATOM 102 NZ LYS A 7 -1.818 10.999 -6.523 1.00 0.00 N ATOM 0 H LYS A 7 4.144 9.421 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 7 2.437 10.411 -8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.507 9.838 -6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.698 10.774 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.641 12.886 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.527 12.025 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.613 11.648 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.437 12.804 -4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.475 9.782 -5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.619 10.670 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.650 10.375 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.129 11.991 -6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.262 10.810 -7.381 1.00 0.00 H new ATOM 116 N HIS A 8 4.582 12.602 -7.240 1.00 0.00 N ATOM 117 CA HIS A 8 5.150 13.953 -7.389 1.00 0.00 C ATOM 118 C HIS A 8 5.888 14.089 -8.725 1.00 0.00 C ATOM 119 O HIS A 8 5.886 15.163 -9.318 1.00 0.00 O ATOM 120 CB HIS A 8 6.094 14.292 -6.209 1.00 0.00 C ATOM 121 CG HIS A 8 6.512 15.744 -6.179 1.00 0.00 C ATOM 122 ND1 HIS A 8 7.768 16.184 -6.539 1.00 0.00 N ATOM 123 CD2 HIS A 8 5.824 16.856 -5.820 1.00 0.00 C ATOM 124 CE1 HIS A 8 7.822 17.496 -6.421 1.00 0.00 C ATOM 125 NE2 HIS A 8 6.660 17.927 -5.985 1.00 0.00 N ATOM 0 H HIS A 8 5.086 12.015 -6.575 1.00 0.00 H new ATOM 0 HA HIS A 8 4.325 14.665 -7.379 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.596 14.044 -5.271 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.984 13.666 -6.273 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.803 16.890 -5.468 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.679 18.114 -6.645 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.420 18.901 -5.800 1.00 0.00 H new ATOM 134 N LEU A 9 6.518 12.991 -9.181 1.00 0.00 N ATOM 135 CA LEU A 9 7.200 12.929 -10.491 1.00 0.00 C ATOM 136 C LEU A 9 6.169 12.952 -11.630 1.00 0.00 C ATOM 137 O LEU A 9 6.368 13.635 -12.634 1.00 0.00 O ATOM 138 CB LEU A 9 8.128 11.670 -10.581 1.00 0.00 C ATOM 139 CG LEU A 9 9.652 11.912 -10.353 1.00 0.00 C ATOM 140 CD1 LEU A 9 10.256 12.723 -11.518 1.00 0.00 C ATOM 141 CD2 LEU A 9 9.914 12.598 -9.001 1.00 0.00 C ATOM 0 H LEU A 9 6.570 12.120 -8.653 1.00 0.00 H new ATOM 0 HA LEU A 9 7.836 13.808 -10.594 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.785 10.940 -9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.997 11.219 -11.565 1.00 0.00 H new ATOM 0 HG LEU A 9 10.146 10.941 -10.326 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.320 12.880 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.122 12.175 -12.451 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.753 13.688 -11.589 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.985 12.752 -8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.403 13.561 -8.976 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.539 11.968 -8.195 1.00 0.00 H new ATOM 153 N ILE A 10 5.068 12.200 -11.450 1.00 0.00 N ATOM 154 CA ILE A 10 3.935 12.186 -12.390 1.00 0.00 C ATOM 155 C ILE A 10 3.260 13.571 -12.414 1.00 0.00 C ATOM 156 O ILE A 10 2.829 14.028 -13.463 1.00 0.00 O ATOM 157 CB ILE A 10 2.899 11.056 -12.007 1.00 0.00 C ATOM 158 CG1 ILE A 10 3.563 9.639 -12.136 1.00 0.00 C ATOM 159 CG2 ILE A 10 1.600 11.138 -12.858 1.00 0.00 C ATOM 160 CD1 ILE A 10 2.726 8.481 -11.610 1.00 0.00 C ATOM 0 H ILE A 10 4.940 11.584 -10.647 1.00 0.00 H new ATOM 0 HA ILE A 10 4.309 11.963 -13.389 1.00 0.00 H new ATOM 0 HB ILE A 10 2.609 11.216 -10.969 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.789 9.455 -13.186 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.514 9.651 -11.603 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.918 10.342 -12.559 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.121 12.104 -12.699 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.849 11.026 -13.913 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.272 7.547 -11.745 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.521 8.632 -10.550 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.785 8.434 -12.158 1.00 0.00 H new ATOM 172 N GLU A 11 3.210 14.228 -11.240 1.00 0.00 N ATOM 173 CA GLU A 11 2.704 15.607 -11.082 1.00 0.00 C ATOM 174 C GLU A 11 3.578 16.592 -11.876 1.00 0.00 C ATOM 175 O GLU A 11 3.065 17.453 -12.581 1.00 0.00 O ATOM 176 CB GLU A 11 2.677 15.985 -9.566 1.00 0.00 C ATOM 177 CG GLU A 11 2.329 17.455 -9.232 1.00 0.00 C ATOM 178 CD GLU A 11 0.939 17.892 -9.726 1.00 0.00 C ATOM 179 OE1 GLU A 11 -0.075 17.459 -9.132 1.00 0.00 O ATOM 180 OE2 GLU A 11 0.847 18.678 -10.696 1.00 0.00 O ATOM 0 H GLU A 11 3.523 13.812 -10.363 1.00 0.00 H new ATOM 0 HA GLU A 11 1.689 15.665 -11.476 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.955 15.340 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.655 15.760 -9.140 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.381 17.594 -8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.083 18.106 -9.674 1.00 0.00 H new ATOM 187 N ARG A 12 4.906 16.417 -11.766 1.00 0.00 N ATOM 188 CA ARG A 12 5.898 17.266 -12.440 1.00 0.00 C ATOM 189 C ARG A 12 5.801 17.128 -13.974 1.00 0.00 C ATOM 190 O ARG A 12 5.778 18.141 -14.673 1.00 0.00 O ATOM 191 CB ARG A 12 7.336 16.934 -11.935 1.00 0.00 C ATOM 192 CG ARG A 12 7.683 17.410 -10.497 1.00 0.00 C ATOM 193 CD ARG A 12 7.888 18.939 -10.382 1.00 0.00 C ATOM 194 NE ARG A 12 6.641 19.717 -10.583 1.00 0.00 N ATOM 195 CZ ARG A 12 6.545 20.883 -11.250 1.00 0.00 C ATOM 196 NH1 ARG A 12 7.596 21.395 -11.872 1.00 0.00 N ATOM 197 NH2 ARG A 12 5.385 21.517 -11.307 1.00 0.00 N ATOM 0 H ARG A 12 5.322 15.676 -11.202 1.00 0.00 H new ATOM 0 HA ARG A 12 5.681 18.305 -12.190 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.475 15.854 -11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.053 17.378 -12.626 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.884 17.107 -9.821 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.590 16.905 -10.165 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.297 19.170 -9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.628 19.255 -11.118 1.00 0.00 H new ATOM 0 HE ARG A 12 5.784 19.337 -10.182 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.491 20.905 -11.849 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.511 22.279 -12.374 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.565 21.123 -10.846 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.311 22.400 -11.812 1.00 0.00 H new ATOM 211 N TYR A 13 5.725 15.870 -14.470 1.00 0.00 N ATOM 212 CA TYR A 13 5.640 15.569 -15.917 1.00 0.00 C ATOM 213 C TYR A 13 4.257 15.952 -16.507 1.00 0.00 C ATOM 214 O TYR A 13 4.181 16.438 -17.636 1.00 0.00 O ATOM 215 CB TYR A 13 5.943 14.063 -16.200 1.00 0.00 C ATOM 216 CG TYR A 13 7.430 13.655 -16.129 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.363 14.160 -17.050 1.00 0.00 C ATOM 218 CD2 TYR A 13 7.903 12.747 -15.175 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.691 13.780 -17.012 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.228 12.368 -15.139 1.00 0.00 C ATOM 221 CZ TYR A 13 10.117 12.888 -16.059 1.00 0.00 C ATOM 222 OH TYR A 13 11.438 12.509 -16.024 1.00 0.00 O ATOM 0 H TYR A 13 5.721 15.038 -13.879 1.00 0.00 H new ATOM 0 HA TYR A 13 6.398 16.178 -16.410 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.385 13.458 -15.485 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.564 13.815 -17.192 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.035 14.860 -17.804 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.215 12.334 -14.452 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.391 14.183 -17.729 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.570 11.666 -14.393 1.00 0.00 H new ATOM 0 HH TYR A 13 11.577 11.874 -15.291 1.00 0.00 H new ATOM 232 N TYR A 14 3.175 15.740 -15.729 1.00 0.00 N ATOM 233 CA TYR A 14 1.786 16.022 -16.177 1.00 0.00 C ATOM 234 C TYR A 14 1.568 17.532 -16.295 1.00 0.00 C ATOM 235 O TYR A 14 1.108 18.019 -17.329 1.00 0.00 O ATOM 236 CB TYR A 14 0.752 15.405 -15.196 1.00 0.00 C ATOM 237 CG TYR A 14 -0.713 15.579 -15.622 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.252 14.815 -16.656 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.565 16.501 -14.991 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.570 14.957 -17.044 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.883 16.645 -15.380 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.381 15.870 -16.409 1.00 0.00 C ATOM 243 OH TYR A 14 -4.694 15.998 -16.797 1.00 0.00 O ATOM 0 H TYR A 14 3.233 15.372 -14.780 1.00 0.00 H new ATOM 0 HA TYR A 14 1.642 15.565 -17.156 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.962 14.341 -15.089 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.888 15.857 -14.214 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.626 14.097 -17.164 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.182 17.110 -14.185 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.965 14.351 -17.846 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.521 17.360 -14.882 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.131 16.684 -16.250 1.00 0.00 H new ATOM 253 N HIS A 15 1.923 18.248 -15.211 1.00 0.00 N ATOM 254 CA HIS A 15 1.879 19.722 -15.146 1.00 0.00 C ATOM 255 C HIS A 15 2.791 20.334 -16.219 1.00 0.00 C ATOM 256 O HIS A 15 2.521 21.420 -16.708 1.00 0.00 O ATOM 257 CB HIS A 15 2.313 20.205 -13.732 1.00 0.00 C ATOM 258 CG HIS A 15 2.258 21.699 -13.508 1.00 0.00 C ATOM 259 ND1 HIS A 15 1.176 22.338 -12.948 1.00 0.00 N ATOM 260 CD2 HIS A 15 3.175 22.675 -13.741 1.00 0.00 C ATOM 261 CE1 HIS A 15 1.427 23.629 -12.855 1.00 0.00 C ATOM 262 NE2 HIS A 15 2.633 23.859 -13.326 1.00 0.00 N ATOM 0 H HIS A 15 2.252 17.816 -14.348 1.00 0.00 H new ATOM 0 HA HIS A 15 0.857 20.050 -15.334 1.00 0.00 H new ATOM 0 HB2 HIS A 15 1.677 19.721 -12.991 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.332 19.865 -13.548 1.00 0.00 H new ATOM 0 HD2 HIS A 15 4.154 22.539 -14.175 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.754 24.374 -12.458 1.00 0.00 H new ATOM 0 HE2 HIS A 15 3.089 24.770 -13.374 1.00 0.00 H new ATOM 271 N GLN A 16 3.883 19.622 -16.548 1.00 0.00 N ATOM 272 CA GLN A 16 4.827 20.021 -17.609 1.00 0.00 C ATOM 273 C GLN A 16 4.142 20.036 -18.991 1.00 0.00 C ATOM 274 O GLN A 16 4.362 20.950 -19.783 1.00 0.00 O ATOM 275 CB GLN A 16 6.037 19.052 -17.604 1.00 0.00 C ATOM 276 CG GLN A 16 7.114 19.318 -18.658 1.00 0.00 C ATOM 277 CD GLN A 16 8.281 18.323 -18.588 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.255 18.564 -17.901 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.179 17.201 -19.288 1.00 0.00 N ATOM 0 H GLN A 16 4.137 18.750 -16.084 1.00 0.00 H new ATOM 0 HA GLN A 16 5.174 21.035 -17.410 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.503 19.090 -16.619 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.665 18.037 -17.742 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.663 19.272 -19.649 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.498 20.330 -18.529 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.349 17.027 -19.855 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.930 16.512 -19.259 1.00 0.00 H new ATOM 288 N LEU A 17 3.308 19.026 -19.255 1.00 0.00 N ATOM 289 CA LEU A 17 2.632 18.853 -20.567 1.00 0.00 C ATOM 290 C LEU A 17 1.370 19.727 -20.701 1.00 0.00 C ATOM 291 O LEU A 17 1.076 20.236 -21.788 1.00 0.00 O ATOM 292 CB LEU A 17 2.280 17.362 -20.745 1.00 0.00 C ATOM 293 CG LEU A 17 3.503 16.395 -20.706 1.00 0.00 C ATOM 294 CD1 LEU A 17 3.068 14.930 -20.580 1.00 0.00 C ATOM 295 CD2 LEU A 17 4.434 16.610 -21.922 1.00 0.00 C ATOM 0 H LEU A 17 3.076 18.302 -18.575 1.00 0.00 H new ATOM 0 HA LEU A 17 3.315 19.179 -21.351 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.580 17.072 -19.962 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.764 17.235 -21.697 1.00 0.00 H new ATOM 0 HG LEU A 17 4.075 16.636 -19.810 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.950 14.289 -20.556 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.498 14.797 -19.660 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.446 14.660 -21.434 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.275 15.920 -21.863 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.879 16.427 -22.842 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.805 17.635 -21.920 1.00 0.00 H new ATOM 307 N THR A 18 0.633 19.881 -19.593 1.00 0.00 N ATOM 308 CA THR A 18 -0.640 20.613 -19.566 1.00 0.00 C ATOM 309 C THR A 18 -0.402 22.121 -19.400 1.00 0.00 C ATOM 310 O THR A 18 -0.840 22.927 -20.230 1.00 0.00 O ATOM 311 CB THR A 18 -1.554 20.087 -18.409 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.827 20.113 -17.169 1.00 0.00 O ATOM 313 CG2 THR A 18 -2.061 18.658 -18.670 1.00 0.00 C ATOM 0 H THR A 18 0.904 19.500 -18.687 1.00 0.00 H new ATOM 0 HA THR A 18 -1.143 20.443 -20.518 1.00 0.00 H new ATOM 0 HB THR A 18 -2.422 20.744 -18.356 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.237 19.332 -17.119 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.690 18.338 -17.840 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.641 18.641 -19.593 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.211 17.982 -18.763 1.00 0.00 H new ATOM 321 N GLU A 19 0.315 22.484 -18.327 1.00 0.00 N ATOM 322 CA GLU A 19 0.501 23.885 -17.891 1.00 0.00 C ATOM 323 C GLU A 19 1.872 24.438 -18.320 1.00 0.00 C ATOM 324 O GLU A 19 2.007 25.632 -18.575 1.00 0.00 O ATOM 325 CB GLU A 19 0.365 23.960 -16.348 1.00 0.00 C ATOM 326 CG GLU A 19 -0.935 23.355 -15.770 1.00 0.00 C ATOM 327 CD GLU A 19 -2.206 24.039 -16.301 1.00 0.00 C ATOM 328 OE1 GLU A 19 -2.481 25.195 -15.901 1.00 0.00 O ATOM 329 OE2 GLU A 19 -2.926 23.447 -17.138 1.00 0.00 O ATOM 0 H GLU A 19 0.790 21.809 -17.727 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.265 24.496 -18.368 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.216 23.447 -15.899 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.426 25.005 -16.045 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.973 22.293 -16.011 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.914 23.434 -14.683 1.00 0.00 H new ATOM 336 N GLY A 20 2.883 23.556 -18.403 1.00 0.00 N ATOM 337 CA GLY A 20 4.276 23.956 -18.633 1.00 0.00 C ATOM 338 C GLY A 20 5.042 24.106 -17.324 1.00 0.00 C ATOM 339 O GLY A 20 4.995 23.211 -16.476 1.00 0.00 O ATOM 0 H GLY A 20 2.755 22.548 -18.312 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.769 23.213 -19.260 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.299 24.900 -19.178 1.00 0.00 H new ATOM 343 N CYS A 21 5.742 25.233 -17.157 1.00 0.00 N ATOM 344 CA CYS A 21 6.511 25.545 -15.931 1.00 0.00 C ATOM 345 C CYS A 21 6.689 27.072 -15.767 1.00 0.00 C ATOM 346 O CYS A 21 7.558 27.528 -15.011 1.00 0.00 O ATOM 347 CB CYS A 21 7.891 24.846 -15.981 1.00 0.00 C ATOM 348 SG CYS A 21 8.955 25.425 -17.336 1.00 0.00 S ATOM 0 H CYS A 21 5.796 25.963 -17.868 1.00 0.00 H new ATOM 0 HA CYS A 21 5.955 25.174 -15.070 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.405 25.007 -15.033 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.740 23.771 -16.083 1.00 0.00 H new ATOM 353 N GLY A 22 5.851 27.863 -16.479 1.00 0.00 N ATOM 354 CA GLY A 22 5.898 29.332 -16.419 1.00 0.00 C ATOM 355 C GLY A 22 6.725 29.947 -17.546 1.00 0.00 C ATOM 356 O GLY A 22 6.231 30.789 -18.306 1.00 0.00 O ATOM 0 H GLY A 22 5.132 27.499 -17.104 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.882 29.725 -16.464 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.316 29.638 -15.460 1.00 0.00 H new ATOM 360 N ASN A 23 7.997 29.514 -17.649 1.00 0.00 N ATOM 361 CA ASN A 23 8.953 30.042 -18.648 1.00 0.00 C ATOM 362 C ASN A 23 8.584 29.584 -20.083 1.00 0.00 C ATOM 363 O ASN A 23 8.618 28.384 -20.387 1.00 0.00 O ATOM 364 CB ASN A 23 10.398 29.598 -18.300 1.00 0.00 C ATOM 365 CG ASN A 23 11.461 30.092 -19.301 1.00 0.00 C ATOM 366 OD1 ASN A 23 11.321 31.146 -19.927 1.00 0.00 O ATOM 367 ND2 ASN A 23 12.534 29.339 -19.449 1.00 0.00 N ATOM 0 H ASN A 23 8.391 28.792 -17.046 1.00 0.00 H new ATOM 0 HA ASN A 23 8.898 31.130 -18.618 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.651 29.965 -17.305 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.433 28.509 -18.256 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.272 29.624 -20.093 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.626 28.472 -18.920 1.00 0.00 H new ATOM 374 N GLU A 24 8.253 30.562 -20.949 1.00 0.00 N ATOM 375 CA GLU A 24 7.941 30.331 -22.373 1.00 0.00 C ATOM 376 C GLU A 24 9.182 29.817 -23.136 1.00 0.00 C ATOM 377 O GLU A 24 9.104 28.827 -23.875 1.00 0.00 O ATOM 378 CB GLU A 24 7.429 31.646 -23.012 1.00 0.00 C ATOM 379 CG GLU A 24 7.163 31.569 -24.535 1.00 0.00 C ATOM 380 CD GLU A 24 6.772 32.921 -25.144 1.00 0.00 C ATOM 381 OE1 GLU A 24 7.603 33.855 -25.106 1.00 0.00 O ATOM 382 OE2 GLU A 24 5.638 33.067 -25.650 1.00 0.00 O ATOM 0 H GLU A 24 8.194 31.543 -20.677 1.00 0.00 H new ATOM 0 HA GLU A 24 7.165 29.568 -22.439 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.507 31.942 -22.511 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.160 32.433 -22.825 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.056 31.196 -25.036 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.367 30.848 -24.723 1.00 0.00 H new ATOM 389 N ALA A 25 10.325 30.502 -22.924 1.00 0.00 N ATOM 390 CA ALA A 25 11.609 30.174 -23.569 1.00 0.00 C ATOM 391 C ALA A 25 12.300 29.015 -22.825 1.00 0.00 C ATOM 392 O ALA A 25 13.373 29.171 -22.223 1.00 0.00 O ATOM 393 CB ALA A 25 12.497 31.428 -23.626 1.00 0.00 C ATOM 0 H ALA A 25 10.381 31.304 -22.296 1.00 0.00 H new ATOM 0 HA ALA A 25 11.430 29.843 -24.592 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.445 31.181 -24.104 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.993 32.205 -24.201 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.683 31.788 -22.614 1.00 0.00 H new ATOM 399 N CYS A 26 11.653 27.847 -22.876 1.00 0.00 N ATOM 400 CA CYS A 26 12.072 26.632 -22.161 1.00 0.00 C ATOM 401 C CYS A 26 12.535 25.587 -23.180 1.00 0.00 C ATOM 402 O CYS A 26 11.771 25.208 -24.083 1.00 0.00 O ATOM 403 CB CYS A 26 10.894 26.095 -21.324 1.00 0.00 C ATOM 404 SG CYS A 26 11.272 24.634 -20.307 1.00 0.00 S ATOM 0 H CYS A 26 10.805 27.714 -23.427 1.00 0.00 H new ATOM 0 HA CYS A 26 12.898 26.859 -21.487 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.540 26.892 -20.670 1.00 0.00 H new ATOM 0 HB3 CYS A 26 10.073 25.847 -21.997 1.00 0.00 H new ATOM 409 N THR A 27 13.788 25.114 -23.023 1.00 0.00 N ATOM 410 CA THR A 27 14.426 24.164 -23.954 1.00 0.00 C ATOM 411 C THR A 27 14.046 22.716 -23.560 1.00 0.00 C ATOM 412 O THR A 27 14.854 21.919 -23.044 1.00 0.00 O ATOM 413 CB THR A 27 15.983 24.397 -24.045 1.00 0.00 C ATOM 414 OG1 THR A 27 16.590 23.432 -24.916 1.00 0.00 O ATOM 415 CG2 THR A 27 16.679 24.380 -22.667 1.00 0.00 C ATOM 0 H THR A 27 14.388 25.382 -22.243 1.00 0.00 H new ATOM 0 HA THR A 27 14.049 24.339 -24.962 1.00 0.00 H new ATOM 0 HB THR A 27 16.119 25.397 -24.458 1.00 0.00 H new ATOM 0 HG1 THR A 27 17.556 23.594 -24.961 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.748 24.546 -22.797 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.263 25.169 -22.040 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.517 23.414 -22.190 1.00 0.00 H new ATOM 423 N ASN A 28 12.763 22.409 -23.767 1.00 0.00 N ATOM 424 CA ASN A 28 12.189 21.096 -23.491 1.00 0.00 C ATOM 425 C ASN A 28 11.062 20.854 -24.504 1.00 0.00 C ATOM 426 O ASN A 28 10.055 21.577 -24.495 1.00 0.00 O ATOM 427 CB ASN A 28 11.653 21.025 -22.024 1.00 0.00 C ATOM 428 CG ASN A 28 11.243 19.612 -21.559 1.00 0.00 C ATOM 429 OD1 ASN A 28 10.940 18.722 -22.352 1.00 0.00 O ATOM 430 ND2 ASN A 28 11.232 19.396 -20.257 1.00 0.00 N ATOM 0 H ASN A 28 12.087 23.077 -24.136 1.00 0.00 H new ATOM 0 HA ASN A 28 12.949 20.321 -23.590 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.421 21.406 -21.351 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.792 21.688 -21.933 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.969 18.480 -19.894 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.486 20.145 -19.614 1.00 0.00 H new ATOM 437 N GLU A 29 11.250 19.842 -25.371 1.00 0.00 N ATOM 438 CA GLU A 29 10.282 19.462 -26.428 1.00 0.00 C ATOM 439 C GLU A 29 8.945 18.967 -25.844 1.00 0.00 C ATOM 440 O GLU A 29 7.958 18.852 -26.568 1.00 0.00 O ATOM 441 CB GLU A 29 10.902 18.372 -27.333 1.00 0.00 C ATOM 442 CG GLU A 29 11.276 17.072 -26.588 1.00 0.00 C ATOM 443 CD GLU A 29 11.987 16.049 -27.474 1.00 0.00 C ATOM 444 OE1 GLU A 29 13.208 16.196 -27.693 1.00 0.00 O ATOM 445 OE2 GLU A 29 11.337 15.100 -27.956 1.00 0.00 O ATOM 0 H GLU A 29 12.085 19.256 -25.361 1.00 0.00 H new ATOM 0 HA GLU A 29 10.066 20.355 -27.015 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.197 18.132 -28.129 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.796 18.775 -27.809 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.918 17.318 -25.742 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.371 16.622 -26.180 1.00 0.00 H new ATOM 452 N PHE A 30 8.954 18.632 -24.547 1.00 0.00 N ATOM 453 CA PHE A 30 7.767 18.258 -23.773 1.00 0.00 C ATOM 454 C PHE A 30 7.547 19.303 -22.678 1.00 0.00 C ATOM 455 O PHE A 30 8.021 19.123 -21.559 1.00 0.00 O ATOM 456 CB PHE A 30 7.956 16.853 -23.151 1.00 0.00 C ATOM 457 CG PHE A 30 8.231 15.765 -24.178 1.00 0.00 C ATOM 458 CD1 PHE A 30 7.320 15.507 -25.205 1.00 0.00 C ATOM 459 CD2 PHE A 30 9.401 15.013 -24.128 1.00 0.00 C ATOM 460 CE1 PHE A 30 7.577 14.535 -26.146 1.00 0.00 C ATOM 461 CE2 PHE A 30 9.652 14.035 -25.068 1.00 0.00 C ATOM 462 CZ PHE A 30 8.741 13.797 -26.078 1.00 0.00 C ATOM 0 H PHE A 30 9.811 18.614 -23.994 1.00 0.00 H new ATOM 0 HA PHE A 30 6.895 18.224 -24.426 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.782 16.887 -22.440 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.061 16.591 -22.587 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.404 16.076 -25.262 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.121 15.197 -23.344 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.867 14.350 -26.938 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.562 13.455 -25.014 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.940 13.033 -26.815 1.00 0.00 H new ATOM 472 N CYS A 31 6.905 20.430 -23.024 1.00 0.00 N ATOM 473 CA CYS A 31 6.591 21.503 -22.054 1.00 0.00 C ATOM 474 C CYS A 31 5.605 22.497 -22.683 1.00 0.00 C ATOM 475 O CYS A 31 5.898 23.058 -23.732 1.00 0.00 O ATOM 476 CB CYS A 31 7.883 22.238 -21.629 1.00 0.00 C ATOM 477 SG CYS A 31 7.641 23.469 -20.327 1.00 0.00 S ATOM 0 H CYS A 31 6.589 20.627 -23.974 1.00 0.00 H new ATOM 0 HA CYS A 31 6.137 21.057 -21.169 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.611 21.502 -21.287 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.313 22.729 -22.502 1.00 0.00 H new ATOM 482 N ALA A 32 4.437 22.722 -22.049 1.00 0.00 N ATOM 483 CA ALA A 32 3.408 23.639 -22.574 1.00 0.00 C ATOM 484 C ALA A 32 3.899 25.094 -22.509 1.00 0.00 C ATOM 485 O ALA A 32 4.737 25.431 -21.661 1.00 0.00 O ATOM 486 CB ALA A 32 2.089 23.459 -21.815 1.00 0.00 C ATOM 0 H ALA A 32 4.183 22.277 -21.167 1.00 0.00 H new ATOM 0 HA ALA A 32 3.225 23.396 -23.621 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.342 24.144 -22.216 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.740 22.433 -21.930 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.246 23.672 -20.758 1.00 0.00 H new ATOM 492 N SER A 33 3.380 25.914 -23.448 1.00 0.00 N ATOM 493 CA SER A 33 3.819 27.311 -23.683 1.00 0.00 C ATOM 494 C SER A 33 5.244 27.362 -24.299 1.00 0.00 C ATOM 495 O SER A 33 5.843 28.439 -24.395 1.00 0.00 O ATOM 496 CB SER A 33 3.703 28.176 -22.382 1.00 0.00 C ATOM 497 OG SER A 33 4.129 29.517 -22.562 1.00 0.00 O ATOM 0 H SER A 33 2.631 25.621 -24.076 1.00 0.00 H new ATOM 0 HA SER A 33 3.143 27.752 -24.415 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.667 28.173 -22.043 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.298 27.716 -21.593 1.00 0.00 H new ATOM 0 HG SER A 33 4.850 29.545 -23.226 1.00 0.00 H new ATOM 503 N CYS A 34 5.781 26.200 -24.750 1.00 0.00 N ATOM 504 CA CYS A 34 7.056 26.137 -25.476 1.00 0.00 C ATOM 505 C CYS A 34 6.748 25.787 -26.940 1.00 0.00 C ATOM 506 O CYS A 34 5.904 24.911 -27.189 1.00 0.00 O ATOM 507 CB CYS A 34 7.981 25.093 -24.818 1.00 0.00 C ATOM 508 SG CYS A 34 8.143 25.317 -23.037 1.00 0.00 S ATOM 0 H CYS A 34 5.338 25.291 -24.617 1.00 0.00 H new ATOM 0 HA CYS A 34 7.577 27.094 -25.441 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.593 24.094 -25.019 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.968 25.150 -25.277 1.00 0.00 H new ATOM 0 HG CYS A 34 7.247 24.600 -22.426 1.00 0.00 H new ATOM 514 N PRO A 35 7.404 26.470 -27.937 1.00 0.00 N ATOM 515 CA PRO A 35 7.144 26.240 -29.385 1.00 0.00 C ATOM 516 C PRO A 35 7.628 24.851 -29.846 1.00 0.00 C ATOM 517 O PRO A 35 7.184 24.329 -30.872 1.00 0.00 O ATOM 518 CB PRO A 35 7.938 27.384 -30.065 1.00 0.00 C ATOM 519 CG PRO A 35 9.058 27.681 -29.109 1.00 0.00 C ATOM 520 CD PRO A 35 8.470 27.498 -27.727 1.00 0.00 C ATOM 0 HA PRO A 35 6.083 26.249 -29.634 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.318 27.079 -31.040 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.311 28.261 -30.227 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.900 27.007 -29.270 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.431 28.696 -29.245 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.220 27.159 -27.013 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.059 28.430 -27.339 1.00 0.00 H new ATOM 528 N THR A 36 8.536 24.278 -29.043 1.00 0.00 N ATOM 529 CA THR A 36 9.103 22.940 -29.239 1.00 0.00 C ATOM 530 C THR A 36 8.073 21.833 -28.919 1.00 0.00 C ATOM 531 O THR A 36 8.249 20.681 -29.332 1.00 0.00 O ATOM 532 CB THR A 36 10.361 22.783 -28.320 1.00 0.00 C ATOM 533 OG1 THR A 36 10.002 23.074 -26.959 1.00 0.00 O ATOM 534 CG2 THR A 36 11.501 23.720 -28.747 1.00 0.00 C ATOM 0 H THR A 36 8.905 24.748 -28.216 1.00 0.00 H new ATOM 0 HA THR A 36 9.385 22.832 -30.286 1.00 0.00 H new ATOM 0 HB THR A 36 10.711 21.755 -28.412 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.271 22.328 -26.383 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.355 23.580 -28.084 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.796 23.491 -29.771 1.00 0.00 H new ATOM 0 HG23 THR A 36 11.163 24.755 -28.689 1.00 0.00 H new ATOM 542 N PHE A 37 7.000 22.189 -28.176 1.00 0.00 N ATOM 543 CA PHE A 37 5.966 21.227 -27.750 1.00 0.00 C ATOM 544 C PHE A 37 4.646 21.450 -28.501 1.00 0.00 C ATOM 545 O PHE A 37 4.122 22.569 -28.528 1.00 0.00 O ATOM 546 CB PHE A 37 5.727 21.321 -26.226 1.00 0.00 C ATOM 547 CG PHE A 37 4.707 20.316 -25.668 1.00 0.00 C ATOM 548 CD1 PHE A 37 4.881 18.944 -25.841 1.00 0.00 C ATOM 549 CD2 PHE A 37 3.594 20.741 -24.954 1.00 0.00 C ATOM 550 CE1 PHE A 37 3.976 18.041 -25.324 1.00 0.00 C ATOM 551 CE2 PHE A 37 2.691 19.843 -24.442 1.00 0.00 C ATOM 552 CZ PHE A 37 2.876 18.492 -24.624 1.00 0.00 C ATOM 0 H PHE A 37 6.830 23.143 -27.859 1.00 0.00 H new ATOM 0 HA PHE A 37 6.331 20.229 -27.992 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.678 21.174 -25.714 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.389 22.330 -25.987 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.739 18.582 -26.389 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.436 21.798 -24.799 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.128 16.981 -25.467 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.831 20.199 -23.894 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.163 17.788 -24.221 1.00 0.00 H new ATOM 562 N LEU A 38 4.120 20.370 -29.100 1.00 0.00 N ATOM 563 CA LEU A 38 2.764 20.334 -29.654 1.00 0.00 C ATOM 564 C LEU A 38 1.818 19.829 -28.543 1.00 0.00 C ATOM 565 O LEU A 38 1.934 18.672 -28.111 1.00 0.00 O ATOM 566 CB LEU A 38 2.734 19.402 -30.896 1.00 0.00 C ATOM 567 CG LEU A 38 1.405 19.394 -31.719 1.00 0.00 C ATOM 568 CD1 LEU A 38 1.113 20.780 -32.344 1.00 0.00 C ATOM 569 CD2 LEU A 38 1.415 18.286 -32.802 1.00 0.00 C ATOM 0 H LEU A 38 4.630 19.494 -29.212 1.00 0.00 H new ATOM 0 HA LEU A 38 2.442 21.323 -29.980 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.548 19.691 -31.561 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.939 18.384 -30.566 1.00 0.00 H new ATOM 0 HG LEU A 38 0.597 19.170 -31.022 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.182 20.736 -32.908 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.023 21.524 -31.553 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.929 21.057 -33.012 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.476 18.309 -33.355 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.245 18.456 -33.488 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.531 17.313 -32.326 1.00 0.00 H new ATOM 581 N ARG A 39 0.940 20.724 -28.038 1.00 0.00 N ATOM 582 CA ARG A 39 0.042 20.430 -26.896 1.00 0.00 C ATOM 583 C ARG A 39 -0.990 19.340 -27.230 1.00 0.00 C ATOM 584 O ARG A 39 -1.281 19.046 -28.396 1.00 0.00 O ATOM 585 CB ARG A 39 -0.670 21.715 -26.349 1.00 0.00 C ATOM 586 CG ARG A 39 0.196 22.602 -25.421 1.00 0.00 C ATOM 587 CD ARG A 39 1.383 23.263 -26.138 1.00 0.00 C ATOM 588 NE ARG A 39 0.941 24.279 -27.105 1.00 0.00 N ATOM 589 CZ ARG A 39 1.741 25.112 -27.782 1.00 0.00 C ATOM 590 NH1 ARG A 39 3.062 25.024 -27.705 1.00 0.00 N ATOM 591 NH2 ARG A 39 1.197 26.036 -28.559 1.00 0.00 N ATOM 0 H ARG A 39 0.833 21.668 -28.409 1.00 0.00 H new ATOM 0 HA ARG A 39 0.686 20.047 -26.104 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.000 22.317 -27.196 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.565 21.412 -25.805 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.432 23.378 -24.984 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.572 21.994 -24.598 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.041 23.724 -25.402 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.967 22.500 -26.654 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.062 24.356 -27.275 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.492 24.308 -27.119 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.648 25.672 -28.232 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.182 26.105 -28.635 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.793 26.678 -29.081 1.00 0.00 H new ATOM 605 N MET A 40 -1.568 18.794 -26.158 1.00 0.00 N ATOM 606 CA MET A 40 -2.406 17.584 -26.179 1.00 0.00 C ATOM 607 C MET A 40 -3.520 17.711 -25.133 1.00 0.00 C ATOM 608 O MET A 40 -3.512 18.653 -24.325 1.00 0.00 O ATOM 609 CB MET A 40 -1.505 16.345 -25.893 1.00 0.00 C ATOM 610 CG MET A 40 -0.629 16.485 -24.630 1.00 0.00 C ATOM 611 SD MET A 40 0.452 15.066 -24.347 1.00 0.00 S ATOM 612 CE MET A 40 1.495 15.096 -25.803 1.00 0.00 C ATOM 0 H MET A 40 -1.466 19.189 -25.223 1.00 0.00 H new ATOM 0 HA MET A 40 -2.873 17.462 -27.156 1.00 0.00 H new ATOM 0 HB2 MET A 40 -2.139 15.464 -25.788 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.859 16.172 -26.754 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.020 17.385 -24.717 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.274 16.620 -23.762 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.529 14.910 -25.514 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.169 14.324 -26.500 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.423 16.072 -26.282 1.00 0.00 H new ATOM 622 N ASP A 41 -4.483 16.765 -25.151 1.00 0.00 N ATOM 623 CA ASP A 41 -5.597 16.738 -24.174 1.00 0.00 C ATOM 624 C ASP A 41 -5.117 16.146 -22.826 1.00 0.00 C ATOM 625 O ASP A 41 -3.990 15.648 -22.735 1.00 0.00 O ATOM 626 CB ASP A 41 -6.815 15.953 -24.746 1.00 0.00 C ATOM 627 CG ASP A 41 -6.586 14.438 -24.900 1.00 0.00 C ATOM 628 OD1 ASP A 41 -6.082 14.003 -25.955 1.00 0.00 O ATOM 629 OD2 ASP A 41 -6.913 13.676 -23.970 1.00 0.00 O ATOM 0 H ASP A 41 -4.513 16.007 -25.833 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.927 17.761 -23.990 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.673 16.113 -24.093 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.074 16.369 -25.720 1.00 0.00 H new ATOM 634 N ASN A 42 -5.985 16.190 -21.795 1.00 0.00 N ATOM 635 CA ASN A 42 -5.630 15.787 -20.407 1.00 0.00 C ATOM 636 C ASN A 42 -5.304 14.280 -20.290 1.00 0.00 C ATOM 637 O ASN A 42 -4.410 13.891 -19.528 1.00 0.00 O ATOM 638 CB ASN A 42 -6.776 16.163 -19.414 1.00 0.00 C ATOM 639 CG ASN A 42 -8.081 15.377 -19.625 1.00 0.00 C ATOM 640 OD1 ASN A 42 -8.448 15.048 -20.755 1.00 0.00 O ATOM 641 ND2 ASN A 42 -8.775 15.050 -18.547 1.00 0.00 N ATOM 0 H ASN A 42 -6.950 16.504 -21.894 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.726 16.337 -20.144 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.427 15.997 -18.395 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.988 17.228 -19.509 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.637 14.512 -18.639 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.448 15.335 -17.624 1.00 0.00 H new ATOM 648 N ASN A 43 -6.024 13.449 -21.066 1.00 0.00 N ATOM 649 CA ASN A 43 -5.855 11.982 -21.053 1.00 0.00 C ATOM 650 C ASN A 43 -4.547 11.614 -21.764 1.00 0.00 C ATOM 651 O ASN A 43 -3.822 10.716 -21.323 1.00 0.00 O ATOM 652 CB ASN A 43 -7.054 11.276 -21.751 1.00 0.00 C ATOM 653 CG ASN A 43 -8.429 11.679 -21.191 1.00 0.00 C ATOM 654 OD1 ASN A 43 -8.570 11.963 -20.001 1.00 0.00 O ATOM 655 ND2 ASN A 43 -9.449 11.713 -22.039 1.00 0.00 N ATOM 0 H ASN A 43 -6.738 13.773 -21.718 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.819 11.645 -20.017 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.026 11.504 -22.817 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.935 10.197 -21.652 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.377 11.979 -21.710 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.305 11.473 -23.020 1.00 0.00 H new ATOM 662 N ALA A 44 -4.262 12.339 -22.866 1.00 0.00 N ATOM 663 CA ALA A 44 -3.032 12.168 -23.653 1.00 0.00 C ATOM 664 C ALA A 44 -1.801 12.585 -22.841 1.00 0.00 C ATOM 665 O ALA A 44 -0.774 11.924 -22.909 1.00 0.00 O ATOM 666 CB ALA A 44 -3.109 12.965 -24.962 1.00 0.00 C ATOM 0 H ALA A 44 -4.883 13.060 -23.232 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.935 11.111 -23.900 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.188 12.824 -25.528 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.956 12.614 -25.552 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.238 14.024 -24.736 1.00 0.00 H new ATOM 672 N ALA A 45 -1.949 13.675 -22.061 1.00 0.00 N ATOM 673 CA ALA A 45 -0.889 14.216 -21.188 1.00 0.00 C ATOM 674 C ALA A 45 -0.647 13.298 -19.980 1.00 0.00 C ATOM 675 O ALA A 45 0.455 13.269 -19.443 1.00 0.00 O ATOM 676 CB ALA A 45 -1.252 15.638 -20.731 1.00 0.00 C ATOM 0 H ALA A 45 -2.817 14.209 -22.020 1.00 0.00 H new ATOM 0 HA ALA A 45 0.038 14.261 -21.760 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.462 16.026 -20.088 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.360 16.284 -21.602 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.191 15.614 -20.178 1.00 0.00 H new ATOM 682 N ALA A 46 -1.698 12.569 -19.554 1.00 0.00 N ATOM 683 CA ALA A 46 -1.614 11.586 -18.453 1.00 0.00 C ATOM 684 C ALA A 46 -0.767 10.375 -18.872 1.00 0.00 C ATOM 685 O ALA A 46 0.183 9.988 -18.173 1.00 0.00 O ATOM 686 CB ALA A 46 -3.027 11.159 -18.010 1.00 0.00 C ATOM 0 H ALA A 46 -2.629 12.645 -19.963 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.121 12.054 -17.601 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.951 10.435 -17.199 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.580 12.033 -17.666 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.551 10.707 -18.852 1.00 0.00 H new ATOM 692 N ILE A 47 -1.117 9.808 -20.044 1.00 0.00 N ATOM 693 CA ILE A 47 -0.386 8.684 -20.659 1.00 0.00 C ATOM 694 C ILE A 47 1.064 9.098 -20.950 1.00 0.00 C ATOM 695 O ILE A 47 2.007 8.384 -20.593 1.00 0.00 O ATOM 696 CB ILE A 47 -1.090 8.210 -21.993 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.554 7.722 -21.715 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.264 7.119 -22.736 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.667 6.586 -20.699 1.00 0.00 C ATOM 0 H ILE A 47 -1.919 10.119 -20.592 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.390 7.850 -19.957 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.141 9.075 -22.654 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.143 8.568 -21.361 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.998 7.396 -22.655 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.786 6.824 -23.646 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.717 7.518 -22.994 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.144 6.250 -22.089 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.715 6.315 -20.571 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.110 5.721 -21.057 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.257 6.911 -19.743 1.00 0.00 H new ATOM 711 N LYS A 48 1.213 10.299 -21.551 1.00 0.00 N ATOM 712 CA LYS A 48 2.509 10.844 -21.972 1.00 0.00 C ATOM 713 C LYS A 48 3.415 11.074 -20.750 1.00 0.00 C ATOM 714 O LYS A 48 4.609 10.837 -20.826 1.00 0.00 O ATOM 715 CB LYS A 48 2.319 12.178 -22.749 1.00 0.00 C ATOM 716 CG LYS A 48 3.532 12.632 -23.594 1.00 0.00 C ATOM 717 CD LYS A 48 3.607 11.885 -24.941 1.00 0.00 C ATOM 718 CE LYS A 48 4.847 12.244 -25.760 1.00 0.00 C ATOM 719 NZ LYS A 48 6.090 11.726 -25.146 1.00 0.00 N ATOM 0 H LYS A 48 0.428 10.917 -21.756 1.00 0.00 H new ATOM 0 HA LYS A 48 2.983 10.120 -22.634 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.457 12.075 -23.408 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.081 12.965 -22.033 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.466 13.704 -23.777 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.450 12.461 -23.032 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.601 10.811 -24.754 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.715 12.112 -25.525 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.745 11.840 -26.767 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.915 13.328 -25.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.839 12.443 -25.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.918 11.508 -24.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.388 10.862 -25.642 1.00 0.00 H new ATOM 733 N ALA A 49 2.811 11.523 -19.620 1.00 0.00 N ATOM 734 CA ALA A 49 3.532 11.785 -18.350 1.00 0.00 C ATOM 735 C ALA A 49 4.183 10.509 -17.814 1.00 0.00 C ATOM 736 O ALA A 49 5.336 10.531 -17.372 1.00 0.00 O ATOM 737 CB ALA A 49 2.583 12.380 -17.291 1.00 0.00 C ATOM 0 H ALA A 49 1.810 11.713 -19.565 1.00 0.00 H new ATOM 0 HA ALA A 49 4.317 12.511 -18.561 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.135 12.563 -16.369 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.170 13.319 -17.659 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.772 11.679 -17.095 1.00 0.00 H new ATOM 743 N LEU A 50 3.423 9.401 -17.880 1.00 0.00 N ATOM 744 CA LEU A 50 3.897 8.068 -17.466 1.00 0.00 C ATOM 745 C LEU A 50 4.956 7.517 -18.442 1.00 0.00 C ATOM 746 O LEU A 50 5.841 6.767 -18.022 1.00 0.00 O ATOM 747 CB LEU A 50 2.702 7.072 -17.312 1.00 0.00 C ATOM 748 CG LEU A 50 2.000 7.042 -15.912 1.00 0.00 C ATOM 749 CD1 LEU A 50 2.980 6.573 -14.813 1.00 0.00 C ATOM 750 CD2 LEU A 50 1.364 8.402 -15.558 1.00 0.00 C ATOM 0 H LEU A 50 2.462 9.405 -18.222 1.00 0.00 H new ATOM 0 HA LEU A 50 4.374 8.176 -16.492 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.953 7.317 -18.065 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.062 6.068 -17.536 1.00 0.00 H new ATOM 0 HG LEU A 50 1.188 6.318 -15.969 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.469 6.561 -13.851 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.336 5.570 -15.047 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.827 7.257 -14.765 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.888 8.337 -14.580 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.137 9.170 -15.536 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.617 8.661 -16.308 1.00 0.00 H new ATOM 762 N GLU A 51 4.860 7.892 -19.735 1.00 0.00 N ATOM 763 CA GLU A 51 5.878 7.536 -20.742 1.00 0.00 C ATOM 764 C GLU A 51 7.194 8.267 -20.461 1.00 0.00 C ATOM 765 O GLU A 51 8.260 7.668 -20.524 1.00 0.00 O ATOM 766 CB GLU A 51 5.370 7.837 -22.179 1.00 0.00 C ATOM 767 CG GLU A 51 4.138 7.017 -22.607 1.00 0.00 C ATOM 768 CD GLU A 51 4.348 5.492 -22.469 1.00 0.00 C ATOM 769 OE1 GLU A 51 5.127 4.918 -23.261 1.00 0.00 O ATOM 770 OE2 GLU A 51 3.751 4.868 -21.568 1.00 0.00 O ATOM 0 H GLU A 51 4.085 8.443 -20.105 1.00 0.00 H new ATOM 0 HA GLU A 51 6.063 6.464 -20.673 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.127 8.897 -22.250 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.179 7.647 -22.884 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.282 7.316 -22.002 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.894 7.252 -23.643 1.00 0.00 H new ATOM 777 N LEU A 52 7.092 9.559 -20.096 1.00 0.00 N ATOM 778 CA LEU A 52 8.261 10.399 -19.749 1.00 0.00 C ATOM 779 C LEU A 52 8.866 9.969 -18.401 1.00 0.00 C ATOM 780 O LEU A 52 10.057 10.167 -18.156 1.00 0.00 O ATOM 781 CB LEU A 52 7.878 11.904 -19.695 1.00 0.00 C ATOM 782 CG LEU A 52 7.207 12.522 -20.963 1.00 0.00 C ATOM 783 CD1 LEU A 52 7.015 14.045 -20.800 1.00 0.00 C ATOM 784 CD2 LEU A 52 7.972 12.175 -22.262 1.00 0.00 C ATOM 0 H LEU A 52 6.201 10.052 -20.033 1.00 0.00 H new ATOM 0 HA LEU A 52 9.006 10.258 -20.532 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.202 12.049 -18.852 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.782 12.474 -19.481 1.00 0.00 H new ATOM 0 HG LEU A 52 6.220 12.069 -21.059 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.546 14.451 -21.696 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.379 14.241 -19.937 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.985 14.520 -20.651 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.466 12.628 -23.114 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.990 12.559 -22.199 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.000 11.093 -22.390 1.00 0.00 H new ATOM 796 N TYR A 53 8.012 9.398 -17.538 1.00 0.00 N ATOM 797 CA TYR A 53 8.405 8.874 -16.220 1.00 0.00 C ATOM 798 C TYR A 53 9.292 7.621 -16.383 1.00 0.00 C ATOM 799 O TYR A 53 10.374 7.542 -15.790 1.00 0.00 O ATOM 800 CB TYR A 53 7.122 8.564 -15.388 1.00 0.00 C ATOM 801 CG TYR A 53 7.359 7.968 -13.978 1.00 0.00 C ATOM 802 CD1 TYR A 53 7.502 8.795 -12.859 1.00 0.00 C ATOM 803 CD2 TYR A 53 7.437 6.582 -13.770 1.00 0.00 C ATOM 804 CE1 TYR A 53 7.719 8.265 -11.598 1.00 0.00 C ATOM 805 CE2 TYR A 53 7.655 6.056 -12.511 1.00 0.00 C ATOM 806 CZ TYR A 53 7.797 6.898 -11.429 1.00 0.00 C ATOM 807 OH TYR A 53 8.020 6.374 -10.173 1.00 0.00 O ATOM 0 H TYR A 53 7.018 9.286 -17.737 1.00 0.00 H new ATOM 0 HA TYR A 53 8.993 9.621 -15.686 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.550 9.486 -15.280 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.503 7.869 -15.956 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.442 9.866 -12.981 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.324 5.913 -14.611 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.827 8.922 -10.747 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.714 4.986 -12.375 1.00 0.00 H new ATOM 0 HH TYR A 53 7.358 5.676 -9.988 1.00 0.00 H new ATOM 817 N LYS A 54 8.821 6.663 -17.209 1.00 0.00 N ATOM 818 CA LYS A 54 9.462 5.335 -17.371 1.00 0.00 C ATOM 819 C LYS A 54 10.775 5.413 -18.188 1.00 0.00 C ATOM 820 O LYS A 54 11.728 4.681 -17.894 1.00 0.00 O ATOM 821 CB LYS A 54 8.470 4.317 -18.003 1.00 0.00 C ATOM 822 CG LYS A 54 7.966 4.676 -19.419 1.00 0.00 C ATOM 823 CD LYS A 54 6.960 3.657 -20.016 1.00 0.00 C ATOM 824 CE LYS A 54 7.609 2.357 -20.530 1.00 0.00 C ATOM 825 NZ LYS A 54 8.203 1.523 -19.451 1.00 0.00 N ATOM 0 H LYS A 54 7.987 6.785 -17.783 1.00 0.00 H new ATOM 0 HA LYS A 54 9.730 4.983 -16.375 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.954 3.341 -18.044 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.608 4.217 -17.343 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.494 5.658 -19.386 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.823 4.757 -20.087 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.221 3.405 -19.256 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.423 4.132 -20.837 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.858 1.771 -21.060 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.385 2.609 -21.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.157 0.520 -19.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.196 1.797 -19.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.672 1.668 -18.568 1.00 0.00 H new ATOM 839 N ILE A 55 10.816 6.297 -19.206 1.00 0.00 N ATOM 840 CA ILE A 55 12.026 6.504 -20.045 1.00 0.00 C ATOM 841 C ILE A 55 13.009 7.473 -19.363 1.00 0.00 C ATOM 842 O ILE A 55 14.202 7.471 -19.692 1.00 0.00 O ATOM 843 CB ILE A 55 11.672 7.061 -21.483 1.00 0.00 C ATOM 844 CG1 ILE A 55 11.121 8.530 -21.417 1.00 0.00 C ATOM 845 CG2 ILE A 55 10.673 6.116 -22.211 1.00 0.00 C ATOM 846 CD1 ILE A 55 10.731 9.127 -22.750 1.00 0.00 C ATOM 0 H ILE A 55 10.025 6.883 -19.472 1.00 0.00 H new ATOM 0 HA ILE A 55 12.490 5.524 -20.159 1.00 0.00 H new ATOM 0 HB ILE A 55 12.595 7.090 -22.062 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.251 8.547 -20.760 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.879 9.166 -20.959 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.444 6.519 -23.198 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.119 5.127 -22.318 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.755 6.039 -21.629 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.363 10.142 -22.600 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.600 9.149 -23.407 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.948 8.521 -23.205 1.00 0.00 H new ATOM 858 N ASN A 56 12.478 8.288 -18.410 1.00 0.00 N ATOM 859 CA ASN A 56 13.189 9.411 -17.774 1.00 0.00 C ATOM 860 C ASN A 56 13.597 10.445 -18.850 1.00 0.00 C ATOM 861 O ASN A 56 14.754 10.502 -19.285 1.00 0.00 O ATOM 862 CB ASN A 56 14.398 8.927 -16.917 1.00 0.00 C ATOM 863 CG ASN A 56 15.080 10.057 -16.139 1.00 0.00 C ATOM 864 OD1 ASN A 56 14.692 10.365 -15.009 1.00 0.00 O ATOM 865 ND2 ASN A 56 16.106 10.667 -16.724 1.00 0.00 N ATOM 0 H ASN A 56 11.526 8.173 -18.063 1.00 0.00 H new ATOM 0 HA ASN A 56 12.513 9.902 -17.073 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.056 8.167 -16.215 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.130 8.451 -17.570 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.599 11.415 -16.237 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.400 10.387 -17.660 1.00 0.00 H new ATOM 872 N ALA A 57 12.593 11.193 -19.332 1.00 0.00 N ATOM 873 CA ALA A 57 12.771 12.261 -20.340 1.00 0.00 C ATOM 874 C ALA A 57 13.225 13.581 -19.686 1.00 0.00 C ATOM 875 O ALA A 57 13.572 13.610 -18.497 1.00 0.00 O ATOM 876 CB ALA A 57 11.455 12.459 -21.109 1.00 0.00 C ATOM 0 H ALA A 57 11.625 11.076 -19.034 1.00 0.00 H new ATOM 0 HA ALA A 57 13.554 11.959 -21.035 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.583 13.246 -21.853 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.182 11.529 -21.608 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.666 12.743 -20.413 1.00 0.00 H new ATOM 882 N LYS A 58 13.234 14.666 -20.484 1.00 0.00 N ATOM 883 CA LYS A 58 13.554 16.011 -19.994 1.00 0.00 C ATOM 884 C LYS A 58 12.464 16.494 -19.028 1.00 0.00 C ATOM 885 O LYS A 58 11.265 16.468 -19.356 1.00 0.00 O ATOM 886 CB LYS A 58 13.718 17.006 -21.162 1.00 0.00 C ATOM 887 CG LYS A 58 14.821 16.630 -22.177 1.00 0.00 C ATOM 888 CD LYS A 58 16.235 16.454 -21.536 1.00 0.00 C ATOM 889 CE LYS A 58 16.750 17.725 -20.827 1.00 0.00 C ATOM 890 NZ LYS A 58 16.916 18.864 -21.754 1.00 0.00 N ATOM 0 H LYS A 58 13.020 14.630 -21.481 1.00 0.00 H new ATOM 0 HA LYS A 58 14.504 15.962 -19.461 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.768 17.085 -21.690 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.939 17.992 -20.754 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.541 15.703 -22.677 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.874 17.402 -22.944 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.201 15.635 -20.818 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.944 16.167 -22.312 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.053 18.003 -20.036 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.705 17.508 -20.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.263 19.692 -21.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.601 18.612 -22.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.001 19.091 -22.192 1.00 0.00 H new ATOM 904 N LEU A 59 12.894 16.933 -17.846 1.00 0.00 N ATOM 905 CA LEU A 59 11.997 17.331 -16.758 1.00 0.00 C ATOM 906 C LEU A 59 12.227 18.797 -16.359 1.00 0.00 C ATOM 907 O LEU A 59 13.368 19.264 -16.291 1.00 0.00 O ATOM 908 CB LEU A 59 12.200 16.396 -15.535 1.00 0.00 C ATOM 909 CG LEU A 59 11.279 16.675 -14.299 1.00 0.00 C ATOM 910 CD1 LEU A 59 9.780 16.616 -14.691 1.00 0.00 C ATOM 911 CD2 LEU A 59 11.593 15.716 -13.125 1.00 0.00 C ATOM 0 H LEU A 59 13.883 17.024 -17.613 1.00 0.00 H new ATOM 0 HA LEU A 59 10.969 17.239 -17.109 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.040 15.367 -15.858 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.239 16.471 -15.214 1.00 0.00 H new ATOM 0 HG LEU A 59 11.492 17.687 -13.956 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.166 16.814 -13.812 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.574 17.366 -15.454 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.545 15.626 -15.083 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.934 15.940 -12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.436 14.686 -13.445 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.630 15.846 -12.817 1.00 0.00 H new ATOM 923 N CYS A 60 11.117 19.501 -16.079 1.00 0.00 N ATOM 924 CA CYS A 60 11.116 20.862 -15.539 1.00 0.00 C ATOM 925 C CYS A 60 10.941 20.774 -14.016 1.00 0.00 C ATOM 926 O CYS A 60 9.870 21.072 -13.466 1.00 0.00 O ATOM 927 CB CYS A 60 9.994 21.694 -16.191 1.00 0.00 C ATOM 928 SG CYS A 60 10.100 21.794 -18.002 1.00 0.00 S ATOM 0 H CYS A 60 10.179 19.128 -16.226 1.00 0.00 H new ATOM 0 HA CYS A 60 12.058 21.363 -15.763 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.031 21.263 -15.918 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.019 22.703 -15.780 1.00 0.00 H new ATOM 933 N ASP A 61 11.985 20.269 -13.354 1.00 0.00 N ATOM 934 CA ASP A 61 12.055 20.175 -11.882 1.00 0.00 C ATOM 935 C ASP A 61 12.565 21.525 -11.304 1.00 0.00 C ATOM 936 O ASP A 61 13.112 22.350 -12.066 1.00 0.00 O ATOM 937 CB ASP A 61 12.997 18.997 -11.473 1.00 0.00 C ATOM 938 CG ASP A 61 14.470 19.237 -11.854 1.00 0.00 C ATOM 939 OD1 ASP A 61 14.822 19.074 -13.045 1.00 0.00 O ATOM 940 OD2 ASP A 61 15.285 19.601 -10.970 1.00 0.00 O ATOM 0 H ASP A 61 12.816 19.909 -13.823 1.00 0.00 H new ATOM 0 HA ASP A 61 11.064 19.975 -11.474 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.928 18.842 -10.396 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.650 18.080 -11.950 1.00 0.00 H new ATOM 945 N PRO A 62 12.382 21.794 -9.965 1.00 0.00 N ATOM 946 CA PRO A 62 13.028 22.960 -9.309 1.00 0.00 C ATOM 947 C PRO A 62 14.568 22.778 -9.305 1.00 0.00 C ATOM 948 O PRO A 62 15.109 21.965 -8.540 1.00 0.00 O ATOM 949 CB PRO A 62 12.427 22.949 -7.873 1.00 0.00 C ATOM 950 CG PRO A 62 11.946 21.540 -7.667 1.00 0.00 C ATOM 951 CD PRO A 62 11.487 21.059 -9.024 1.00 0.00 C ATOM 0 HA PRO A 62 12.848 23.909 -9.814 1.00 0.00 H new ATOM 0 HB2 PRO A 62 13.175 23.224 -7.129 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.609 23.663 -7.781 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.744 20.908 -7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.131 21.507 -6.944 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.594 19.979 -9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.437 21.293 -9.201 1.00 0.00 H new ATOM 959 N HIS A 63 15.256 23.543 -10.170 1.00 0.00 N ATOM 960 CA HIS A 63 16.686 23.337 -10.480 1.00 0.00 C ATOM 961 C HIS A 63 17.553 24.335 -9.674 1.00 0.00 C ATOM 962 O HIS A 63 17.452 25.550 -9.917 1.00 0.00 O ATOM 963 CB HIS A 63 16.901 23.508 -12.017 1.00 0.00 C ATOM 964 CG HIS A 63 18.253 23.079 -12.519 1.00 0.00 C ATOM 965 ND1 HIS A 63 18.457 21.914 -13.228 1.00 0.00 N ATOM 966 CD2 HIS A 63 19.462 23.687 -12.462 1.00 0.00 C ATOM 967 CE1 HIS A 63 19.725 21.828 -13.566 1.00 0.00 C ATOM 968 NE2 HIS A 63 20.351 22.885 -13.114 1.00 0.00 N ATOM 0 H HIS A 63 14.838 24.324 -10.676 1.00 0.00 H new ATOM 0 HA HIS A 63 16.990 22.330 -10.194 1.00 0.00 H new ATOM 0 HB2 HIS A 63 16.136 22.936 -12.542 1.00 0.00 H new ATOM 0 HB3 HIS A 63 16.749 24.556 -12.276 1.00 0.00 H new ATOM 0 HD2 HIS A 63 19.681 24.632 -11.988 1.00 0.00 H new ATOM 0 HE1 HIS A 63 20.175 21.020 -14.124 1.00 0.00 H new ATOM 0 HE2 HIS A 63 21.346 23.078 -13.231 1.00 0.00 H new ATOM 977 N PRO A 64 18.403 23.846 -8.707 1.00 0.00 N ATOM 978 CA PRO A 64 19.355 24.703 -7.952 1.00 0.00 C ATOM 979 C PRO A 64 20.486 25.242 -8.866 1.00 0.00 C ATOM 980 O PRO A 64 20.675 26.471 -8.947 1.00 0.00 O ATOM 981 CB PRO A 64 19.914 23.755 -6.839 1.00 0.00 C ATOM 982 CG PRO A 64 18.965 22.589 -6.818 1.00 0.00 C ATOM 983 CD PRO A 64 18.489 22.438 -8.246 1.00 0.00 C ATOM 984 OXT PRO A 64 21.143 24.428 -9.550 1.00 0.00 O ATOM 0 HA PRO A 64 18.879 25.593 -7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 64 20.931 23.434 -7.066 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.947 24.256 -5.872 1.00 0.00 H new ATOM 0 HG2 PRO A 64 19.462 21.683 -6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.130 22.773 -6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 64 19.188 21.856 -8.847 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.524 21.933 -8.301 1.00 0.00 H new TER 992 PRO A 64 HETATM 993 ZN ZN A 65 9.504 23.843 -18.978 1.00 0.00 ZN