USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 22 THR OG1 : rot -84:sc= 1.23 USER MOD Set 1.2: A 26 HIS :FLIP no HE2:sc= -0.308 F(o=0.036,f=0.93) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.045 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -143:sc= 1.34 (180deg=0.313) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -123:sc= -0.261 (180deg=-0.971) USER MOD Single : A 21 GLN : amide:sc= 0.0194 X(o=0.019,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 0.0155 (180deg=-0.562) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= -0.0561 (180deg=-0.341) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0.761 K(o=0.76,f=-4.8!) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0679) USER MOD Single : A 48 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.45) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 55 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.7!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.011 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.275 -22.560 -0.581 1.00 0.00 N ATOM 2 CA GLY A 1 17.170 -22.472 -1.745 1.00 0.00 C ATOM 3 C GLY A 1 17.206 -21.067 -2.296 1.00 0.00 C ATOM 4 O GLY A 1 16.209 -20.353 -2.205 1.00 0.00 O ATOM 0 H1 GLY A 1 16.841 -22.656 0.286 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.696 -21.698 -0.523 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.654 -23.388 -0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.176 -22.780 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.834 -23.161 -2.519 1.00 0.00 H new ATOM 10 N PRO A 2 18.344 -20.631 -2.871 1.00 0.00 N ATOM 11 CA PRO A 2 18.494 -19.268 -3.408 1.00 0.00 C ATOM 12 C PRO A 2 17.510 -18.976 -4.541 1.00 0.00 C ATOM 13 O PRO A 2 17.204 -19.851 -5.367 1.00 0.00 O ATOM 14 CB PRO A 2 19.926 -19.257 -3.953 1.00 0.00 C ATOM 15 CG PRO A 2 20.609 -20.359 -3.225 1.00 0.00 C ATOM 16 CD PRO A 2 19.575 -21.420 -3.049 1.00 0.00 C ATOM 0 HA PRO A 2 18.298 -18.512 -2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.942 -19.423 -5.030 1.00 0.00 H new ATOM 0 HB3 PRO A 2 20.413 -18.299 -3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 2 21.463 -20.733 -3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 2 20.989 -20.017 -2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 2 19.515 -22.077 -3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 2 19.782 -22.051 -2.185 1.00 0.00 H new ATOM 24 N LEU A 3 17.017 -17.758 -4.570 1.00 0.00 N ATOM 25 CA LEU A 3 16.124 -17.310 -5.609 1.00 0.00 C ATOM 26 C LEU A 3 16.578 -15.931 -6.071 1.00 0.00 C ATOM 27 O LEU A 3 16.697 -15.004 -5.261 1.00 0.00 O ATOM 28 CB LEU A 3 14.675 -17.281 -5.070 1.00 0.00 C ATOM 29 CG LEU A 3 13.522 -17.060 -6.075 1.00 0.00 C ATOM 30 CD1 LEU A 3 12.205 -17.482 -5.446 1.00 0.00 C ATOM 31 CD2 LEU A 3 13.429 -15.603 -6.521 1.00 0.00 C ATOM 0 H LEU A 3 17.227 -17.048 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 3 16.146 -17.991 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 3 14.492 -18.225 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.616 -16.494 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 3 13.729 -17.668 -6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.395 -17.325 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.252 -18.537 -5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.022 -16.887 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.606 -15.490 -7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.252 -14.967 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.362 -15.309 -7.002 1.00 0.00 H new ATOM 43 N GLY A 4 16.845 -15.807 -7.348 1.00 0.00 N ATOM 44 CA GLY A 4 17.262 -14.546 -7.910 1.00 0.00 C ATOM 45 C GLY A 4 17.003 -14.523 -9.388 1.00 0.00 C ATOM 46 O GLY A 4 16.004 -15.083 -9.843 1.00 0.00 O ATOM 0 H GLY A 4 16.780 -16.570 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.725 -13.730 -7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.323 -14.387 -7.717 1.00 0.00 H new ATOM 50 N SER A 5 17.877 -13.894 -10.145 1.00 0.00 N ATOM 51 CA SER A 5 17.738 -13.885 -11.581 1.00 0.00 C ATOM 52 C SER A 5 18.003 -15.290 -12.107 1.00 0.00 C ATOM 53 O SER A 5 18.991 -15.935 -11.730 1.00 0.00 O ATOM 54 CB SER A 5 18.724 -12.891 -12.185 1.00 0.00 C ATOM 55 OG SER A 5 18.642 -11.641 -11.519 1.00 0.00 O ATOM 0 H SER A 5 18.687 -13.385 -9.790 1.00 0.00 H new ATOM 0 HA SER A 5 16.729 -13.581 -11.860 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.738 -13.284 -12.109 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.512 -12.759 -13.246 1.00 0.00 H new ATOM 0 HG SER A 5 19.282 -11.015 -11.918 1.00 0.00 H new ATOM 61 N LYS A 6 17.132 -15.766 -12.961 1.00 0.00 N ATOM 62 CA LYS A 6 17.220 -17.122 -13.430 1.00 0.00 C ATOM 63 C LYS A 6 16.759 -17.219 -14.868 1.00 0.00 C ATOM 64 O LYS A 6 16.003 -16.367 -15.351 1.00 0.00 O ATOM 65 CB LYS A 6 16.390 -18.051 -12.521 1.00 0.00 C ATOM 66 CG LYS A 6 14.881 -17.803 -12.560 1.00 0.00 C ATOM 67 CD LYS A 6 14.133 -18.693 -11.571 1.00 0.00 C ATOM 68 CE LYS A 6 14.367 -20.169 -11.851 1.00 0.00 C ATOM 69 NZ LYS A 6 13.480 -21.038 -11.045 1.00 0.00 N ATOM 0 H LYS A 6 16.353 -15.231 -13.345 1.00 0.00 H new ATOM 0 HA LYS A 6 18.262 -17.441 -13.390 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.582 -19.085 -12.809 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.737 -17.936 -11.494 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.679 -16.757 -12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.509 -17.987 -13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.456 -18.460 -10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.066 -18.478 -11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.202 -20.367 -12.910 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.407 -20.417 -11.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.999 -21.892 -10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.165 -20.523 -10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.652 -21.311 -11.612 1.00 0.00 H new ATOM 83 N TYR A 7 17.205 -18.244 -15.551 1.00 0.00 N ATOM 84 CA TYR A 7 16.810 -18.453 -16.919 1.00 0.00 C ATOM 85 C TYR A 7 15.608 -19.368 -17.009 1.00 0.00 C ATOM 86 O TYR A 7 15.700 -20.513 -17.452 1.00 0.00 O ATOM 87 CB TYR A 7 17.974 -18.939 -17.788 1.00 0.00 C ATOM 88 CG TYR A 7 19.062 -17.905 -17.973 1.00 0.00 C ATOM 89 CD1 TYR A 7 20.093 -17.769 -17.047 1.00 0.00 C ATOM 90 CD2 TYR A 7 19.055 -17.062 -19.074 1.00 0.00 C ATOM 91 CE1 TYR A 7 21.082 -16.816 -17.218 1.00 0.00 C ATOM 92 CE2 TYR A 7 20.039 -16.111 -19.252 1.00 0.00 C ATOM 93 CZ TYR A 7 21.047 -15.991 -18.322 1.00 0.00 C ATOM 94 OH TYR A 7 22.030 -15.041 -18.501 1.00 0.00 O ATOM 0 H TYR A 7 17.843 -18.947 -15.180 1.00 0.00 H new ATOM 0 HA TYR A 7 16.511 -17.486 -17.322 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.406 -19.832 -17.336 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.590 -19.230 -18.766 1.00 0.00 H new ATOM 0 HD1 TYR A 7 20.121 -18.416 -16.183 1.00 0.00 H new ATOM 0 HD2 TYR A 7 18.265 -17.151 -19.805 1.00 0.00 H new ATOM 0 HE1 TYR A 7 21.875 -16.719 -16.492 1.00 0.00 H new ATOM 0 HE2 TYR A 7 20.018 -15.464 -20.117 1.00 0.00 H new ATOM 0 HH TYR A 7 21.858 -14.545 -19.328 1.00 0.00 H new ATOM 104 N GLU A 8 14.488 -18.859 -16.540 1.00 0.00 N ATOM 105 CA GLU A 8 13.227 -19.561 -16.587 1.00 0.00 C ATOM 106 C GLU A 8 12.105 -18.564 -16.804 1.00 0.00 C ATOM 107 O GLU A 8 11.967 -17.600 -16.046 1.00 0.00 O ATOM 108 CB GLU A 8 12.994 -20.332 -15.284 1.00 0.00 C ATOM 109 CG GLU A 8 11.719 -21.167 -15.264 1.00 0.00 C ATOM 110 CD GLU A 8 11.542 -21.917 -13.962 1.00 0.00 C ATOM 111 OE1 GLU A 8 11.577 -21.282 -12.892 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.389 -23.151 -13.991 1.00 0.00 O ATOM 0 H GLU A 8 14.429 -17.935 -16.111 1.00 0.00 H new ATOM 0 HA GLU A 8 13.248 -20.274 -17.411 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.846 -20.988 -15.108 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.962 -19.622 -14.457 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.859 -20.517 -15.425 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.740 -21.878 -16.090 1.00 0.00 H new ATOM 119 N CYS A 9 11.342 -18.779 -17.840 1.00 0.00 N ATOM 120 CA CYS A 9 10.187 -17.970 -18.140 1.00 0.00 C ATOM 121 C CYS A 9 8.973 -18.568 -17.457 1.00 0.00 C ATOM 122 O CYS A 9 8.599 -19.698 -17.747 1.00 0.00 O ATOM 123 CB CYS A 9 9.996 -17.930 -19.658 1.00 0.00 C ATOM 124 SG CYS A 9 8.379 -17.343 -20.282 1.00 0.00 S ATOM 0 H CYS A 9 11.505 -19.530 -18.510 1.00 0.00 H new ATOM 0 HA CYS A 9 10.323 -16.952 -17.775 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.773 -17.292 -20.080 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.163 -18.935 -20.046 1.00 0.00 H new ATOM 129 N PRO A 10 8.343 -17.824 -16.540 1.00 0.00 N ATOM 130 CA PRO A 10 7.206 -18.324 -15.758 1.00 0.00 C ATOM 131 C PRO A 10 5.974 -18.634 -16.614 1.00 0.00 C ATOM 132 O PRO A 10 5.078 -19.354 -16.177 1.00 0.00 O ATOM 133 CB PRO A 10 6.914 -17.180 -14.782 1.00 0.00 C ATOM 134 CG PRO A 10 7.465 -15.972 -15.449 1.00 0.00 C ATOM 135 CD PRO A 10 8.690 -16.438 -16.174 1.00 0.00 C ATOM 0 HA PRO A 10 7.442 -19.271 -15.272 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.844 -17.079 -14.598 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.389 -17.351 -13.816 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.741 -15.540 -16.140 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.710 -15.199 -14.721 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.897 -15.827 -17.053 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.576 -16.396 -15.540 1.00 0.00 H new ATOM 143 N ILE A 11 5.926 -18.080 -17.822 1.00 0.00 N ATOM 144 CA ILE A 11 4.824 -18.346 -18.735 1.00 0.00 C ATOM 145 C ILE A 11 4.819 -19.816 -19.171 1.00 0.00 C ATOM 146 O ILE A 11 3.776 -20.465 -19.176 1.00 0.00 O ATOM 147 CB ILE A 11 4.856 -17.406 -19.978 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.579 -15.957 -19.557 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.854 -17.854 -21.041 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.779 -14.943 -20.665 1.00 0.00 C ATOM 0 H ILE A 11 6.636 -17.446 -18.189 1.00 0.00 H new ATOM 0 HA ILE A 11 3.901 -18.140 -18.193 1.00 0.00 H new ATOM 0 HB ILE A 11 5.853 -17.462 -20.416 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.554 -15.885 -19.194 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.232 -15.701 -18.722 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.902 -17.177 -21.894 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.096 -18.866 -21.366 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.848 -17.839 -20.622 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.563 -13.944 -20.287 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.811 -14.984 -21.014 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.107 -15.171 -21.492 1.00 0.00 H new ATOM 162 N CYS A 12 5.995 -20.343 -19.507 1.00 0.00 N ATOM 163 CA CYS A 12 6.097 -21.710 -20.004 1.00 0.00 C ATOM 164 C CYS A 12 6.696 -22.654 -18.962 1.00 0.00 C ATOM 165 O CYS A 12 6.439 -23.865 -18.982 1.00 0.00 O ATOM 166 CB CYS A 12 6.927 -21.735 -21.283 1.00 0.00 C ATOM 167 SG CYS A 12 8.564 -20.956 -21.115 1.00 0.00 S ATOM 0 H CYS A 12 6.884 -19.847 -19.444 1.00 0.00 H new ATOM 0 HA CYS A 12 5.088 -22.063 -20.218 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.059 -22.770 -21.599 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.374 -21.228 -22.074 1.00 0.00 H new ATOM 172 N LEU A 13 7.504 -22.089 -18.061 1.00 0.00 N ATOM 173 CA LEU A 13 8.168 -22.821 -16.977 1.00 0.00 C ATOM 174 C LEU A 13 9.207 -23.816 -17.511 1.00 0.00 C ATOM 175 O LEU A 13 9.564 -24.779 -16.832 1.00 0.00 O ATOM 176 CB LEU A 13 7.127 -23.533 -16.092 1.00 0.00 C ATOM 177 CG LEU A 13 6.186 -22.618 -15.298 1.00 0.00 C ATOM 178 CD1 LEU A 13 5.083 -23.428 -14.638 1.00 0.00 C ATOM 179 CD2 LEU A 13 6.961 -21.837 -14.246 1.00 0.00 C ATOM 0 H LEU A 13 7.720 -21.092 -18.064 1.00 0.00 H new ATOM 0 HA LEU A 13 8.705 -22.094 -16.368 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.522 -24.182 -16.726 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.656 -24.177 -15.389 1.00 0.00 H new ATOM 0 HG LEU A 13 5.732 -21.912 -15.994 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.426 -22.761 -14.080 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.507 -23.949 -15.403 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.524 -24.156 -13.957 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.277 -21.194 -13.693 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.442 -22.532 -13.558 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.720 -21.225 -14.733 1.00 0.00 H new ATOM 191 N MET A 14 9.701 -23.572 -18.721 1.00 0.00 N ATOM 192 CA MET A 14 10.749 -24.415 -19.295 1.00 0.00 C ATOM 193 C MET A 14 12.122 -23.780 -19.091 1.00 0.00 C ATOM 194 O MET A 14 12.960 -24.288 -18.334 1.00 0.00 O ATOM 195 CB MET A 14 10.512 -24.665 -20.796 1.00 0.00 C ATOM 196 CG MET A 14 9.260 -25.471 -21.117 1.00 0.00 C ATOM 197 SD MET A 14 9.088 -25.847 -22.879 1.00 0.00 S ATOM 198 CE MET A 14 8.823 -24.212 -23.571 1.00 0.00 C ATOM 0 H MET A 14 9.397 -22.805 -19.320 1.00 0.00 H new ATOM 0 HA MET A 14 10.716 -25.374 -18.777 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.449 -23.703 -21.305 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.378 -25.186 -21.205 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.281 -26.404 -20.553 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.383 -24.917 -20.783 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.882 -24.198 -24.120 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.785 -23.478 -22.766 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.641 -23.966 -24.248 1.00 0.00 H new ATOM 208 N ALA A 15 12.329 -22.657 -19.752 1.00 0.00 N ATOM 209 CA ALA A 15 13.596 -21.947 -19.753 1.00 0.00 C ATOM 210 C ALA A 15 13.354 -20.572 -20.338 1.00 0.00 C ATOM 211 O ALA A 15 12.211 -20.124 -20.370 1.00 0.00 O ATOM 212 CB ALA A 15 14.615 -22.712 -20.596 1.00 0.00 C ATOM 0 H ALA A 15 11.609 -22.203 -20.314 1.00 0.00 H new ATOM 0 HA ALA A 15 13.990 -21.859 -18.741 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.564 -22.176 -20.594 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.760 -23.708 -20.177 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.249 -22.799 -21.619 1.00 0.00 H new ATOM 218 N LEU A 16 14.403 -19.894 -20.777 1.00 0.00 N ATOM 219 CA LEU A 16 14.233 -18.645 -21.497 1.00 0.00 C ATOM 220 C LEU A 16 14.598 -18.819 -22.956 1.00 0.00 C ATOM 221 O LEU A 16 15.717 -19.215 -23.282 1.00 0.00 O ATOM 222 CB LEU A 16 15.077 -17.509 -20.895 1.00 0.00 C ATOM 223 CG LEU A 16 14.715 -17.037 -19.489 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.671 -15.949 -19.035 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.298 -16.514 -19.456 1.00 0.00 C ATOM 0 H LEU A 16 15.372 -20.185 -20.648 1.00 0.00 H new ATOM 0 HA LEU A 16 13.182 -18.371 -21.409 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.118 -17.831 -20.885 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.015 -16.651 -21.565 1.00 0.00 H new ATOM 0 HG LEU A 16 14.795 -17.888 -18.812 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.400 -15.623 -18.031 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.689 -16.339 -19.028 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.611 -15.103 -19.720 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.056 -16.182 -18.446 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.203 -15.676 -20.146 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.611 -17.307 -19.751 1.00 0.00 H new ATOM 237 N ARG A 17 13.664 -18.519 -23.832 1.00 0.00 N ATOM 238 CA ARG A 17 13.944 -18.501 -25.249 1.00 0.00 C ATOM 239 C ARG A 17 14.474 -17.126 -25.613 1.00 0.00 C ATOM 240 O ARG A 17 13.736 -16.135 -25.570 1.00 0.00 O ATOM 241 CB ARG A 17 12.679 -18.830 -26.061 1.00 0.00 C ATOM 242 CG ARG A 17 12.860 -18.843 -27.578 1.00 0.00 C ATOM 243 CD ARG A 17 13.813 -19.939 -28.031 1.00 0.00 C ATOM 244 NE ARG A 17 13.904 -20.019 -29.494 1.00 0.00 N ATOM 245 CZ ARG A 17 14.998 -20.402 -30.169 1.00 0.00 C ATOM 246 NH1 ARG A 17 16.115 -20.674 -29.521 1.00 0.00 N ATOM 247 NH2 ARG A 17 14.970 -20.492 -31.493 1.00 0.00 N ATOM 0 H ARG A 17 12.702 -18.284 -23.586 1.00 0.00 H new ATOM 0 HA ARG A 17 14.689 -19.260 -25.487 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.310 -19.807 -25.748 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.907 -18.102 -25.810 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.891 -18.985 -28.057 1.00 0.00 H new ATOM 0 HG3 ARG A 17 13.239 -17.875 -27.906 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.803 -19.752 -27.616 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.477 -20.898 -27.636 1.00 0.00 H new ATOM 0 HE ARG A 17 13.077 -19.766 -30.035 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.148 -20.593 -28.505 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.946 -20.965 -30.036 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.114 -20.269 -32.001 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.804 -20.784 -32.002 1.00 0.00 H new ATOM 261 N GLU A 18 15.765 -17.079 -25.915 1.00 0.00 N ATOM 262 CA GLU A 18 16.505 -15.861 -26.289 1.00 0.00 C ATOM 263 C GLU A 18 16.727 -14.903 -25.110 1.00 0.00 C ATOM 264 O GLU A 18 17.497 -13.950 -25.226 1.00 0.00 O ATOM 265 CB GLU A 18 15.880 -15.144 -27.490 1.00 0.00 C ATOM 266 CG GLU A 18 15.861 -15.996 -28.743 1.00 0.00 C ATOM 267 CD GLU A 18 17.241 -16.462 -29.138 1.00 0.00 C ATOM 268 OE1 GLU A 18 18.088 -15.622 -29.505 1.00 0.00 O ATOM 269 OE2 GLU A 18 17.493 -17.680 -29.096 1.00 0.00 O ATOM 0 H GLU A 18 16.354 -17.912 -25.909 1.00 0.00 H new ATOM 0 HA GLU A 18 17.493 -16.204 -26.596 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.860 -14.851 -27.241 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.436 -14.227 -27.689 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.220 -16.862 -28.581 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.424 -15.425 -29.562 1.00 0.00 H new ATOM 276 N ALA A 19 16.056 -15.180 -23.991 1.00 0.00 N ATOM 277 CA ALA A 19 16.210 -14.439 -22.733 1.00 0.00 C ATOM 278 C ALA A 19 16.084 -12.924 -22.903 1.00 0.00 C ATOM 279 O ALA A 19 17.087 -12.214 -23.029 1.00 0.00 O ATOM 280 CB ALA A 19 17.520 -14.806 -22.041 1.00 0.00 C ATOM 0 H ALA A 19 15.377 -15.939 -23.930 1.00 0.00 H new ATOM 0 HA ALA A 19 15.379 -14.743 -22.096 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.610 -14.244 -21.112 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.529 -15.874 -21.822 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.357 -14.563 -22.695 1.00 0.00 H new ATOM 286 N VAL A 20 14.862 -12.425 -22.912 1.00 0.00 N ATOM 287 CA VAL A 20 14.666 -10.998 -23.023 1.00 0.00 C ATOM 288 C VAL A 20 14.252 -10.395 -21.684 1.00 0.00 C ATOM 289 O VAL A 20 13.201 -10.733 -21.123 1.00 0.00 O ATOM 290 CB VAL A 20 13.679 -10.590 -24.161 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.267 -10.939 -25.521 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.323 -11.266 -23.996 1.00 0.00 C ATOM 0 H VAL A 20 14.007 -12.977 -22.845 1.00 0.00 H new ATOM 0 HA VAL A 20 15.633 -10.581 -23.306 1.00 0.00 H new ATOM 0 HB VAL A 20 13.530 -9.512 -24.096 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.568 -10.649 -26.305 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.208 -10.406 -25.658 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.447 -12.013 -25.575 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.662 -10.958 -24.806 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.450 -12.348 -24.023 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.886 -10.976 -23.041 1.00 0.00 H new ATOM 302 N GLN A 21 15.107 -9.544 -21.151 1.00 0.00 N ATOM 303 CA GLN A 21 14.819 -8.857 -19.912 1.00 0.00 C ATOM 304 C GLN A 21 13.915 -7.659 -20.147 1.00 0.00 C ATOM 305 O GLN A 21 14.185 -6.817 -21.005 1.00 0.00 O ATOM 306 CB GLN A 21 16.107 -8.452 -19.182 1.00 0.00 C ATOM 307 CG GLN A 21 15.875 -7.674 -17.893 1.00 0.00 C ATOM 308 CD GLN A 21 17.153 -7.416 -17.123 1.00 0.00 C ATOM 309 OE1 GLN A 21 17.898 -6.488 -17.430 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.398 -8.209 -16.102 1.00 0.00 N ATOM 0 H GLN A 21 16.012 -9.312 -21.561 1.00 0.00 H new ATOM 0 HA GLN A 21 14.285 -9.553 -19.266 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.680 -9.351 -18.953 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.717 -7.848 -19.853 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.401 -6.722 -18.130 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.181 -8.227 -17.260 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.754 -8.968 -15.880 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.232 -8.064 -15.532 1.00 0.00 H new ATOM 319 N THR A 22 12.850 -7.599 -19.397 1.00 0.00 N ATOM 320 CA THR A 22 11.928 -6.493 -19.473 1.00 0.00 C ATOM 321 C THR A 22 12.493 -5.312 -18.683 1.00 0.00 C ATOM 322 O THR A 22 13.383 -5.501 -17.849 1.00 0.00 O ATOM 323 CB THR A 22 10.563 -6.900 -18.873 1.00 0.00 C ATOM 324 OG1 THR A 22 10.750 -7.334 -17.522 1.00 0.00 O ATOM 325 CG2 THR A 22 9.935 -8.029 -19.682 1.00 0.00 C ATOM 0 H THR A 22 12.594 -8.313 -18.715 1.00 0.00 H new ATOM 0 HA THR A 22 11.791 -6.212 -20.517 1.00 0.00 H new ATOM 0 HB THR A 22 9.898 -6.037 -18.901 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.011 -8.279 -17.515 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.975 -8.301 -19.243 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.784 -7.700 -20.710 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.597 -8.895 -19.672 1.00 0.00 H new ATOM 333 N PRO A 23 11.992 -4.081 -18.920 1.00 0.00 N ATOM 334 CA PRO A 23 12.406 -2.898 -18.151 1.00 0.00 C ATOM 335 C PRO A 23 12.028 -3.031 -16.672 1.00 0.00 C ATOM 336 O PRO A 23 12.566 -2.336 -15.820 1.00 0.00 O ATOM 337 CB PRO A 23 11.640 -1.744 -18.816 1.00 0.00 C ATOM 338 CG PRO A 23 10.492 -2.402 -19.491 1.00 0.00 C ATOM 339 CD PRO A 23 11.009 -3.730 -19.958 1.00 0.00 C ATOM 0 HA PRO A 23 13.486 -2.751 -18.161 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.303 -1.015 -18.080 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.267 -1.210 -19.530 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.653 -2.526 -18.806 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.134 -1.804 -20.329 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.213 -4.472 -20.029 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.469 -3.661 -20.944 1.00 0.00 H new ATOM 347 N CYS A 24 11.089 -3.931 -16.388 1.00 0.00 N ATOM 348 CA CYS A 24 10.713 -4.254 -15.025 1.00 0.00 C ATOM 349 C CYS A 24 11.892 -4.928 -14.306 1.00 0.00 C ATOM 350 O CYS A 24 12.123 -4.704 -13.116 1.00 0.00 O ATOM 351 CB CYS A 24 9.526 -5.219 -15.051 1.00 0.00 C ATOM 352 SG CYS A 24 8.158 -4.707 -16.126 1.00 0.00 S ATOM 0 H CYS A 24 10.573 -4.452 -17.097 1.00 0.00 H new ATOM 0 HA CYS A 24 10.442 -3.340 -14.497 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.878 -6.198 -15.375 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.148 -5.336 -14.035 1.00 0.00 H new ATOM 357 N GLY A 25 12.649 -5.727 -15.053 1.00 0.00 N ATOM 358 CA GLY A 25 13.788 -6.431 -14.489 1.00 0.00 C ATOM 359 C GLY A 25 13.714 -7.933 -14.693 1.00 0.00 C ATOM 360 O GLY A 25 14.738 -8.608 -14.787 1.00 0.00 O ATOM 0 H GLY A 25 12.492 -5.900 -16.046 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.704 -6.052 -14.943 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.849 -6.217 -13.422 1.00 0.00 H new ATOM 364 N HIS A 26 12.504 -8.457 -14.785 1.00 0.00 N ATOM 365 CA HIS A 26 12.311 -9.896 -14.977 1.00 0.00 C ATOM 366 C HIS A 26 12.441 -10.313 -16.440 1.00 0.00 C ATOM 367 O HIS A 26 12.226 -9.511 -17.351 1.00 0.00 O ATOM 368 CB HIS A 26 11.007 -10.422 -14.332 1.00 0.00 C ATOM 369 CG HIS A 26 9.804 -9.533 -14.479 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.145 -9.078 -15.573 1.00 0.00 N flip ATOM 371 CD2 HIS A 26 9.138 -9.008 -13.393 1.00 0.00 C flip ATOM 372 CE1 HIS A 26 8.105 -8.289 -15.126 1.00 0.00 C flip ATOM 373 NE2 HIS A 26 8.130 -8.270 -13.801 1.00 0.00 N flip ATOM 0 H HIS A 26 11.641 -7.917 -14.731 1.00 0.00 H new ATOM 0 HA HIS A 26 13.129 -10.378 -14.441 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.774 -11.393 -14.768 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.188 -10.585 -13.270 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.375 -9.281 -16.546 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.405 -9.178 -12.360 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.391 -7.774 -15.751 1.00 0.00 H new ATOM 380 N ARG A 27 12.800 -11.562 -16.654 1.00 0.00 N ATOM 381 CA ARG A 27 13.071 -12.082 -17.987 1.00 0.00 C ATOM 382 C ARG A 27 11.991 -13.060 -18.455 1.00 0.00 C ATOM 383 O ARG A 27 11.480 -13.859 -17.677 1.00 0.00 O ATOM 384 CB ARG A 27 14.448 -12.758 -18.016 1.00 0.00 C ATOM 385 CG ARG A 27 15.637 -11.804 -17.900 1.00 0.00 C ATOM 386 CD ARG A 27 16.952 -12.571 -17.835 1.00 0.00 C ATOM 387 NE ARG A 27 18.137 -11.694 -17.849 1.00 0.00 N ATOM 388 CZ ARG A 27 18.743 -11.159 -16.773 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.230 -11.312 -15.560 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.866 -10.467 -16.919 1.00 0.00 N ATOM 0 H ARG A 27 12.914 -12.250 -15.910 1.00 0.00 H new ATOM 0 HA ARG A 27 13.064 -11.238 -18.677 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.499 -13.480 -17.201 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.541 -13.320 -18.945 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.649 -11.127 -18.755 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.527 -11.188 -17.007 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.967 -13.177 -16.929 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.007 -13.258 -18.679 1.00 0.00 H new ATOM 0 HE ARG A 27 18.536 -11.472 -18.761 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.366 -11.840 -15.434 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.699 -10.902 -14.752 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.270 -10.340 -17.847 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.325 -10.062 -16.103 1.00 0.00 H new ATOM 404 N PHE A 28 11.648 -12.971 -19.724 1.00 0.00 N ATOM 405 CA PHE A 28 10.688 -13.874 -20.356 1.00 0.00 C ATOM 406 C PHE A 28 11.264 -14.392 -21.653 1.00 0.00 C ATOM 407 O PHE A 28 12.292 -13.892 -22.129 1.00 0.00 O ATOM 408 CB PHE A 28 9.350 -13.189 -20.667 1.00 0.00 C ATOM 409 CG PHE A 28 8.525 -12.776 -19.485 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.659 -13.675 -18.890 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.584 -11.484 -18.992 1.00 0.00 C ATOM 412 CE1 PHE A 28 6.873 -13.297 -17.825 1.00 0.00 C ATOM 413 CE2 PHE A 28 7.801 -11.104 -17.924 1.00 0.00 C ATOM 414 CZ PHE A 28 6.945 -12.013 -17.339 1.00 0.00 C ATOM 0 H PHE A 28 12.027 -12.267 -20.357 1.00 0.00 H new ATOM 0 HA PHE A 28 10.501 -14.683 -19.650 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.551 -12.304 -21.270 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.754 -13.865 -21.281 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.599 -14.686 -19.265 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.250 -10.767 -19.449 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.200 -14.009 -17.371 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.858 -10.094 -17.545 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.332 -11.717 -16.500 1.00 0.00 H new ATOM 424 N CYS A 29 10.631 -15.404 -22.218 1.00 0.00 N ATOM 425 CA CYS A 29 11.015 -15.877 -23.528 1.00 0.00 C ATOM 426 C CYS A 29 10.559 -14.887 -24.576 1.00 0.00 C ATOM 427 O CYS A 29 9.486 -14.293 -24.456 1.00 0.00 O ATOM 428 CB CYS A 29 10.333 -17.196 -23.828 1.00 0.00 C ATOM 429 SG CYS A 29 10.806 -18.579 -22.766 1.00 0.00 S ATOM 0 H CYS A 29 9.854 -15.909 -21.791 1.00 0.00 H new ATOM 0 HA CYS A 29 12.098 -15.996 -23.545 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.255 -17.053 -23.750 1.00 0.00 H new ATOM 0 HB3 CYS A 29 10.544 -17.467 -24.862 1.00 0.00 H new ATOM 434 N LYS A 30 11.339 -14.767 -25.624 1.00 0.00 N ATOM 435 CA LYS A 30 11.039 -13.876 -26.724 1.00 0.00 C ATOM 436 C LYS A 30 9.831 -14.375 -27.536 1.00 0.00 C ATOM 437 O LYS A 30 9.241 -13.639 -28.317 1.00 0.00 O ATOM 438 CB LYS A 30 12.272 -13.702 -27.613 1.00 0.00 C ATOM 439 CG LYS A 30 12.067 -12.716 -28.732 1.00 0.00 C ATOM 440 CD LYS A 30 13.325 -12.483 -29.531 1.00 0.00 C ATOM 441 CE LYS A 30 13.056 -11.475 -30.625 1.00 0.00 C ATOM 442 NZ LYS A 30 12.148 -12.020 -31.671 1.00 0.00 N ATOM 0 H LYS A 30 12.208 -15.289 -25.740 1.00 0.00 H new ATOM 0 HA LYS A 30 10.770 -12.903 -26.313 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.111 -13.374 -26.999 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.545 -14.669 -28.036 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.282 -13.080 -29.394 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.722 -11.768 -28.319 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.120 -12.122 -28.878 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.670 -13.421 -29.965 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.613 -10.578 -30.191 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.999 -11.176 -31.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.813 -11.245 -32.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.662 -12.715 -32.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.334 -12.481 -31.218 1.00 0.00 H new ATOM 456 N ALA A 31 9.437 -15.607 -27.296 1.00 0.00 N ATOM 457 CA ALA A 31 8.345 -16.198 -28.039 1.00 0.00 C ATOM 458 C ALA A 31 7.165 -16.444 -27.114 1.00 0.00 C ATOM 459 O ALA A 31 6.143 -16.997 -27.511 1.00 0.00 O ATOM 460 CB ALA A 31 8.795 -17.492 -28.702 1.00 0.00 C ATOM 0 H ALA A 31 9.855 -16.218 -26.594 1.00 0.00 H new ATOM 0 HA ALA A 31 8.032 -15.509 -28.823 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.963 -17.925 -29.257 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.618 -17.283 -29.386 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.127 -18.196 -27.939 1.00 0.00 H new ATOM 466 N CYS A 32 7.320 -16.033 -25.868 1.00 0.00 N ATOM 467 CA CYS A 32 6.231 -16.067 -24.919 1.00 0.00 C ATOM 468 C CYS A 32 5.710 -14.653 -24.682 1.00 0.00 C ATOM 469 O CYS A 32 4.536 -14.369 -24.902 1.00 0.00 O ATOM 470 CB CYS A 32 6.677 -16.691 -23.589 1.00 0.00 C ATOM 471 SG CYS A 32 7.286 -18.410 -23.707 1.00 0.00 S ATOM 0 H CYS A 32 8.196 -15.671 -25.492 1.00 0.00 H new ATOM 0 HA CYS A 32 5.434 -16.684 -25.333 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.465 -16.071 -23.160 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.838 -16.666 -22.894 1.00 0.00 H new ATOM 476 N ILE A 33 6.602 -13.761 -24.257 1.00 0.00 N ATOM 477 CA ILE A 33 6.202 -12.415 -23.879 1.00 0.00 C ATOM 478 C ILE A 33 5.737 -11.568 -25.078 1.00 0.00 C ATOM 479 O ILE A 33 4.730 -10.876 -24.992 1.00 0.00 O ATOM 480 CB ILE A 33 7.298 -11.676 -23.066 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.753 -10.372 -22.493 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.547 -11.424 -23.899 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.656 -10.560 -21.464 1.00 0.00 C ATOM 0 H ILE A 33 7.601 -13.948 -24.167 1.00 0.00 H new ATOM 0 HA ILE A 33 5.339 -12.543 -23.225 1.00 0.00 H new ATOM 0 HB ILE A 33 7.587 -12.324 -22.239 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.573 -9.817 -22.037 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.370 -9.761 -23.310 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.290 -10.905 -23.293 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.956 -12.376 -24.238 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.291 -10.811 -24.763 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.323 -9.586 -21.106 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.817 -11.086 -21.919 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.039 -11.143 -20.626 1.00 0.00 H new ATOM 495 N ILE A 34 6.444 -11.663 -26.201 1.00 0.00 N ATOM 496 CA ILE A 34 6.071 -10.910 -27.399 1.00 0.00 C ATOM 497 C ILE A 34 4.705 -11.357 -27.898 1.00 0.00 C ATOM 498 O ILE A 34 3.841 -10.538 -28.241 1.00 0.00 O ATOM 499 CB ILE A 34 7.135 -10.973 -28.527 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.403 -10.231 -28.080 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.593 -10.353 -29.811 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.559 -10.344 -29.044 1.00 0.00 C ATOM 0 H ILE A 34 7.272 -12.249 -26.308 1.00 0.00 H new ATOM 0 HA ILE A 34 6.018 -9.861 -27.107 1.00 0.00 H new ATOM 0 HB ILE A 34 7.377 -12.017 -28.725 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.163 -9.177 -27.940 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.714 -10.619 -27.110 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.353 -10.407 -30.590 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.706 -10.898 -30.132 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.332 -9.310 -29.630 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.414 -9.792 -28.653 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.829 -11.393 -29.167 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.270 -9.929 -30.009 1.00 0.00 H new ATOM 514 N LYS A 35 4.495 -12.657 -27.866 1.00 0.00 N ATOM 515 CA LYS A 35 3.272 -13.263 -28.360 1.00 0.00 C ATOM 516 C LYS A 35 2.149 -13.080 -27.324 1.00 0.00 C ATOM 517 O LYS A 35 1.018 -13.505 -27.526 1.00 0.00 O ATOM 518 CB LYS A 35 3.523 -14.762 -28.638 1.00 0.00 C ATOM 519 CG LYS A 35 2.365 -15.508 -29.291 1.00 0.00 C ATOM 520 CD LYS A 35 2.083 -14.969 -30.682 1.00 0.00 C ATOM 521 CE LYS A 35 1.015 -15.776 -31.401 1.00 0.00 C ATOM 522 NZ LYS A 35 1.414 -17.190 -31.578 1.00 0.00 N ATOM 0 H LYS A 35 5.169 -13.327 -27.496 1.00 0.00 H new ATOM 0 HA LYS A 35 2.966 -12.780 -29.288 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.400 -14.854 -29.279 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.765 -15.254 -27.696 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.600 -16.571 -29.350 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.472 -15.413 -28.673 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.764 -13.929 -30.610 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.002 -14.981 -31.268 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.084 -15.730 -30.836 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.818 -15.330 -32.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.804 -17.636 -32.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.404 -17.235 -31.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.314 -17.695 -30.674 1.00 0.00 H new ATOM 536 N SER A 36 2.470 -12.441 -26.218 1.00 0.00 N ATOM 537 CA SER A 36 1.483 -12.133 -25.213 1.00 0.00 C ATOM 538 C SER A 36 1.130 -10.636 -25.238 1.00 0.00 C ATOM 539 O SER A 36 0.025 -10.248 -24.853 1.00 0.00 O ATOM 540 CB SER A 36 1.993 -12.539 -23.821 1.00 0.00 C ATOM 541 OG SER A 36 1.015 -12.297 -22.817 1.00 0.00 O ATOM 0 H SER A 36 3.414 -12.125 -25.995 1.00 0.00 H new ATOM 0 HA SER A 36 0.580 -12.702 -25.434 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.259 -13.596 -23.824 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.901 -11.982 -23.588 1.00 0.00 H new ATOM 0 HG SER A 36 1.369 -12.567 -21.944 1.00 0.00 H new ATOM 547 N ILE A 37 2.028 -9.806 -25.765 1.00 0.00 N ATOM 548 CA ILE A 37 1.837 -8.359 -25.669 1.00 0.00 C ATOM 549 C ILE A 37 1.329 -7.745 -26.964 1.00 0.00 C ATOM 550 O ILE A 37 0.717 -6.687 -26.948 1.00 0.00 O ATOM 551 CB ILE A 37 3.124 -7.615 -25.212 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.285 -7.883 -26.180 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.498 -7.997 -23.786 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.540 -7.087 -25.882 1.00 0.00 C ATOM 0 H ILE A 37 2.875 -10.100 -26.251 1.00 0.00 H new ATOM 0 HA ILE A 37 1.072 -8.228 -24.904 1.00 0.00 H new ATOM 0 HB ILE A 37 2.918 -6.545 -25.226 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.527 -8.945 -26.153 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.957 -7.656 -27.194 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.401 -7.463 -23.491 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.683 -7.731 -23.113 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.678 -9.071 -23.732 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.310 -7.336 -26.612 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.317 -6.022 -25.938 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.896 -7.331 -24.881 1.00 0.00 H new ATOM 566 N ARG A 38 1.562 -8.396 -28.080 1.00 0.00 N ATOM 567 CA ARG A 38 0.988 -7.910 -29.328 1.00 0.00 C ATOM 568 C ARG A 38 -0.219 -8.746 -29.728 1.00 0.00 C ATOM 569 O ARG A 38 -0.794 -8.567 -30.796 1.00 0.00 O ATOM 570 CB ARG A 38 2.031 -7.822 -30.444 1.00 0.00 C ATOM 571 CG ARG A 38 2.645 -9.136 -30.860 1.00 0.00 C ATOM 572 CD ARG A 38 3.687 -8.915 -31.946 1.00 0.00 C ATOM 573 NE ARG A 38 3.100 -8.468 -33.216 1.00 0.00 N ATOM 574 CZ ARG A 38 3.614 -7.509 -34.003 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.596 -6.725 -33.562 1.00 0.00 N ATOM 576 NH2 ARG A 38 3.109 -7.309 -35.213 1.00 0.00 N ATOM 0 H ARG A 38 2.128 -9.241 -28.158 1.00 0.00 H new ATOM 0 HA ARG A 38 0.639 -6.891 -29.160 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.566 -7.365 -31.317 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.829 -7.153 -30.121 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.106 -9.618 -29.998 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.868 -9.808 -31.224 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.410 -8.174 -31.604 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.235 -9.842 -32.111 1.00 0.00 H new ATOM 0 HE ARG A 38 2.238 -8.919 -33.523 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.964 -6.850 -32.619 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.980 -5.999 -34.167 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.333 -7.883 -35.543 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.497 -6.581 -35.814 1.00 0.00 H new ATOM 590 N ASP A 39 -0.601 -9.650 -28.840 1.00 0.00 N ATOM 591 CA ASP A 39 -1.723 -10.546 -29.082 1.00 0.00 C ATOM 592 C ASP A 39 -2.850 -10.266 -28.106 1.00 0.00 C ATOM 593 O ASP A 39 -3.997 -10.088 -28.507 1.00 0.00 O ATOM 594 CB ASP A 39 -1.275 -12.004 -28.963 1.00 0.00 C ATOM 595 CG ASP A 39 -2.420 -12.995 -29.076 1.00 0.00 C ATOM 596 OD1 ASP A 39 -2.910 -13.227 -30.196 1.00 0.00 O ATOM 597 OD2 ASP A 39 -2.831 -13.561 -28.039 1.00 0.00 O ATOM 0 H ASP A 39 -0.146 -9.784 -27.937 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.088 -10.371 -30.094 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.542 -12.216 -29.741 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.774 -12.146 -28.005 1.00 0.00 H new ATOM 602 N ALA A 40 -2.532 -10.226 -26.826 1.00 0.00 N ATOM 603 CA ALA A 40 -3.532 -9.907 -25.822 1.00 0.00 C ATOM 604 C ALA A 40 -3.529 -8.415 -25.521 1.00 0.00 C ATOM 605 O ALA A 40 -4.462 -7.694 -25.887 1.00 0.00 O ATOM 606 CB ALA A 40 -3.304 -10.717 -24.562 1.00 0.00 C ATOM 0 H ALA A 40 -1.598 -10.408 -26.458 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.513 -10.171 -26.217 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.064 -10.462 -23.823 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.367 -11.780 -24.796 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.317 -10.492 -24.159 1.00 0.00 H new ATOM 612 N GLY A 41 -2.473 -7.956 -24.880 1.00 0.00 N ATOM 613 CA GLY A 41 -2.343 -6.559 -24.546 1.00 0.00 C ATOM 614 C GLY A 41 -0.916 -6.232 -24.211 1.00 0.00 C ATOM 615 O GLY A 41 -0.149 -7.123 -23.852 1.00 0.00 O ATOM 0 H GLY A 41 -1.690 -8.537 -24.580 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.677 -5.946 -25.383 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.986 -6.319 -23.699 1.00 0.00 H new ATOM 619 N HIS A 42 -0.560 -4.966 -24.293 1.00 0.00 N ATOM 620 CA HIS A 42 0.823 -4.548 -24.130 1.00 0.00 C ATOM 621 C HIS A 42 1.242 -4.413 -22.683 1.00 0.00 C ATOM 622 O HIS A 42 1.541 -3.316 -22.210 1.00 0.00 O ATOM 623 CB HIS A 42 1.125 -3.265 -24.903 1.00 0.00 C ATOM 624 CG HIS A 42 1.527 -3.516 -26.317 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.796 -3.099 -27.402 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.614 -4.137 -26.817 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.416 -3.457 -28.509 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.523 -4.090 -28.175 1.00 0.00 N ATOM 0 H HIS A 42 -1.212 -4.202 -24.473 1.00 0.00 H new ATOM 0 HA HIS A 42 1.421 -5.354 -24.555 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.243 -2.624 -24.890 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.922 -2.721 -24.396 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.411 -4.589 -26.245 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.076 -3.265 -29.516 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.202 -4.481 -28.828 1.00 0.00 H new ATOM 637 N LYS A 43 1.252 -5.523 -21.985 1.00 0.00 N ATOM 638 CA LYS A 43 1.723 -5.570 -20.626 1.00 0.00 C ATOM 639 C LYS A 43 2.239 -6.964 -20.304 1.00 0.00 C ATOM 640 O LYS A 43 1.733 -7.957 -20.839 1.00 0.00 O ATOM 641 CB LYS A 43 0.602 -5.182 -19.643 1.00 0.00 C ATOM 642 CG LYS A 43 -0.580 -6.144 -19.622 1.00 0.00 C ATOM 643 CD LYS A 43 -1.606 -5.764 -18.559 1.00 0.00 C ATOM 644 CE LYS A 43 -2.325 -4.458 -18.883 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.210 -4.572 -20.070 1.00 0.00 N ATOM 0 H LYS A 43 0.932 -6.421 -22.347 1.00 0.00 H new ATOM 0 HA LYS A 43 2.536 -4.852 -20.519 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.022 -5.120 -18.639 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.240 -4.186 -19.899 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.058 -6.152 -20.601 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.221 -7.156 -19.434 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.339 -6.565 -18.463 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.108 -5.671 -17.594 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.917 -4.150 -18.021 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.587 -3.675 -19.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.787 -3.711 -20.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.630 -4.688 -20.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.834 -5.397 -19.960 1.00 0.00 H new ATOM 659 N CYS A 44 3.239 -7.044 -19.450 1.00 0.00 N ATOM 660 CA CYS A 44 3.682 -8.323 -18.955 1.00 0.00 C ATOM 661 C CYS A 44 2.710 -8.800 -17.879 1.00 0.00 C ATOM 662 O CYS A 44 2.472 -8.100 -16.904 1.00 0.00 O ATOM 663 CB CYS A 44 5.127 -8.234 -18.437 1.00 0.00 C ATOM 664 SG CYS A 44 5.574 -6.625 -17.706 1.00 0.00 S ATOM 0 H CYS A 44 3.755 -6.242 -19.089 1.00 0.00 H new ATOM 0 HA CYS A 44 3.687 -9.055 -19.763 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.280 -9.013 -17.690 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.808 -8.445 -19.261 1.00 0.00 H new ATOM 669 N PRO A 45 2.137 -10.004 -18.047 1.00 0.00 N ATOM 670 CA PRO A 45 1.010 -10.476 -17.228 1.00 0.00 C ATOM 671 C PRO A 45 1.309 -10.599 -15.727 1.00 0.00 C ATOM 672 O PRO A 45 0.402 -10.491 -14.909 1.00 0.00 O ATOM 673 CB PRO A 45 0.671 -11.847 -17.833 1.00 0.00 C ATOM 674 CG PRO A 45 1.913 -12.267 -18.538 1.00 0.00 C ATOM 675 CD PRO A 45 2.531 -11.004 -19.057 1.00 0.00 C ATOM 0 HA PRO A 45 0.192 -9.756 -17.258 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.393 -12.563 -17.060 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.171 -11.779 -18.522 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.592 -12.785 -17.861 1.00 0.00 H new ATOM 0 HG3 PRO A 45 1.687 -12.956 -19.352 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.615 -11.089 -19.140 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.155 -10.748 -20.047 1.00 0.00 H new ATOM 683 N VAL A 46 2.567 -10.819 -15.369 1.00 0.00 N ATOM 684 CA VAL A 46 2.921 -11.019 -13.965 1.00 0.00 C ATOM 685 C VAL A 46 2.752 -9.753 -13.100 1.00 0.00 C ATOM 686 O VAL A 46 2.229 -9.823 -11.990 1.00 0.00 O ATOM 687 CB VAL A 46 4.340 -11.626 -13.774 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.431 -12.997 -14.422 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.423 -10.704 -14.319 1.00 0.00 C ATOM 0 H VAL A 46 3.352 -10.864 -16.019 1.00 0.00 H new ATOM 0 HA VAL A 46 2.197 -11.751 -13.607 1.00 0.00 H new ATOM 0 HB VAL A 46 4.507 -11.736 -12.703 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.432 -13.403 -14.276 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.699 -13.664 -13.966 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.227 -12.909 -15.489 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.401 -11.162 -14.168 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.260 -10.541 -15.384 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.385 -9.749 -13.796 1.00 0.00 H new ATOM 699 N ASP A 47 3.194 -8.612 -13.603 1.00 0.00 N ATOM 700 CA ASP A 47 3.131 -7.360 -12.841 1.00 0.00 C ATOM 701 C ASP A 47 2.322 -6.296 -13.568 1.00 0.00 C ATOM 702 O ASP A 47 2.275 -5.144 -13.139 1.00 0.00 O ATOM 703 CB ASP A 47 4.541 -6.831 -12.551 1.00 0.00 C ATOM 704 CG ASP A 47 5.349 -6.569 -13.808 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.036 -7.114 -14.866 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.339 -5.836 -13.760 1.00 0.00 O ATOM 0 H ASP A 47 3.601 -8.519 -14.534 1.00 0.00 H new ATOM 0 HA ASP A 47 2.629 -7.582 -11.899 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.465 -5.908 -11.976 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.072 -7.551 -11.929 1.00 0.00 H new ATOM 711 N ASN A 48 1.707 -6.699 -14.675 1.00 0.00 N ATOM 712 CA ASN A 48 0.830 -5.854 -15.519 1.00 0.00 C ATOM 713 C ASN A 48 1.475 -4.529 -15.941 1.00 0.00 C ATOM 714 O ASN A 48 0.786 -3.523 -16.109 1.00 0.00 O ATOM 715 CB ASN A 48 -0.594 -5.639 -14.920 1.00 0.00 C ATOM 716 CG ASN A 48 -0.643 -4.891 -13.590 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.560 -5.495 -12.524 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.796 -3.583 -13.645 1.00 0.00 N ATOM 0 H ASN A 48 1.800 -7.650 -15.032 1.00 0.00 H new ATOM 0 HA ASN A 48 0.696 -6.435 -16.431 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.196 -5.093 -15.646 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.063 -6.614 -14.786 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.849 -3.039 -12.784 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.861 -3.115 -14.549 1.00 0.00 H new ATOM 725 N GLU A 49 2.779 -4.545 -16.167 1.00 0.00 N ATOM 726 CA GLU A 49 3.488 -3.344 -16.598 1.00 0.00 C ATOM 727 C GLU A 49 3.491 -3.226 -18.100 1.00 0.00 C ATOM 728 O GLU A 49 3.608 -4.226 -18.800 1.00 0.00 O ATOM 729 CB GLU A 49 4.916 -3.312 -16.057 1.00 0.00 C ATOM 730 CG GLU A 49 4.994 -3.076 -14.567 1.00 0.00 C ATOM 731 CD GLU A 49 4.476 -1.712 -14.177 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.644 -0.752 -14.962 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.905 -1.576 -13.078 1.00 0.00 O ATOM 0 H GLU A 49 3.368 -5.371 -16.061 1.00 0.00 H new ATOM 0 HA GLU A 49 2.954 -2.488 -16.187 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.406 -4.257 -16.293 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.472 -2.528 -16.570 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.418 -3.843 -14.049 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.028 -3.177 -14.239 1.00 0.00 H new ATOM 740 N ILE A 50 3.372 -2.003 -18.588 1.00 0.00 N ATOM 741 CA ILE A 50 3.260 -1.761 -20.013 1.00 0.00 C ATOM 742 C ILE A 50 4.551 -2.147 -20.714 1.00 0.00 C ATOM 743 O ILE A 50 5.622 -1.605 -20.429 1.00 0.00 O ATOM 744 CB ILE A 50 2.927 -0.274 -20.307 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.588 0.118 -19.666 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.911 0.009 -21.809 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.403 -0.697 -20.142 1.00 0.00 C ATOM 0 H ILE A 50 3.351 -1.160 -18.014 1.00 0.00 H new ATOM 0 HA ILE A 50 2.444 -2.376 -20.393 1.00 0.00 H new ATOM 0 HB ILE A 50 3.714 0.336 -19.864 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.673 0.015 -18.584 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.395 1.171 -19.872 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.675 1.059 -21.979 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.890 -0.216 -22.232 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.157 -0.615 -22.289 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.501 -0.354 -19.638 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.287 -0.575 -21.219 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.569 -1.749 -19.912 1.00 0.00 H new ATOM 759 N LEU A 51 4.444 -3.079 -21.628 1.00 0.00 N ATOM 760 CA LEU A 51 5.590 -3.577 -22.329 1.00 0.00 C ATOM 761 C LEU A 51 5.357 -3.541 -23.824 1.00 0.00 C ATOM 762 O LEU A 51 4.310 -3.959 -24.311 1.00 0.00 O ATOM 763 CB LEU A 51 5.928 -4.992 -21.867 1.00 0.00 C ATOM 764 CG LEU A 51 7.126 -5.654 -22.546 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.404 -4.874 -22.281 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.272 -7.080 -22.067 1.00 0.00 C ATOM 0 H LEU A 51 3.561 -3.509 -21.903 1.00 0.00 H new ATOM 0 HA LEU A 51 6.439 -2.933 -22.102 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.113 -4.967 -20.793 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.053 -5.622 -22.025 1.00 0.00 H new ATOM 0 HG LEU A 51 6.950 -5.657 -23.622 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.241 -5.367 -22.776 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.299 -3.861 -22.669 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.590 -4.834 -21.208 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.129 -7.543 -22.557 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.424 -7.088 -20.988 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.369 -7.640 -22.310 1.00 0.00 H new ATOM 778 N LEU A 52 6.331 -3.029 -24.533 1.00 0.00 N ATOM 779 CA LEU A 52 6.288 -2.915 -25.972 1.00 0.00 C ATOM 780 C LEU A 52 7.401 -3.770 -26.550 1.00 0.00 C ATOM 781 O LEU A 52 8.419 -3.985 -25.881 1.00 0.00 O ATOM 782 CB LEU A 52 6.501 -1.447 -26.406 1.00 0.00 C ATOM 783 CG LEU A 52 5.491 -0.382 -25.919 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.062 -0.793 -26.207 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.678 -0.039 -24.447 1.00 0.00 C ATOM 0 H LEU A 52 7.193 -2.673 -24.120 1.00 0.00 H new ATOM 0 HA LEU A 52 5.315 -3.247 -26.334 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.492 -1.142 -26.071 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.511 -1.421 -27.496 1.00 0.00 H new ATOM 0 HG LEU A 52 5.698 0.524 -26.488 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.382 -0.019 -25.850 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.931 -0.925 -27.281 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.844 -1.731 -25.697 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.946 0.713 -24.153 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.539 -0.936 -23.844 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.683 0.352 -24.289 1.00 0.00 H new ATOM 797 N GLU A 53 7.229 -4.256 -27.772 1.00 0.00 N ATOM 798 CA GLU A 53 8.252 -5.076 -28.417 1.00 0.00 C ATOM 799 C GLU A 53 9.534 -4.268 -28.604 1.00 0.00 C ATOM 800 O GLU A 53 10.634 -4.812 -28.580 1.00 0.00 O ATOM 801 CB GLU A 53 7.796 -5.618 -29.783 1.00 0.00 C ATOM 802 CG GLU A 53 6.464 -6.351 -29.780 1.00 0.00 C ATOM 803 CD GLU A 53 5.296 -5.418 -30.006 1.00 0.00 C ATOM 804 OE1 GLU A 53 4.871 -4.729 -29.063 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.810 -5.351 -31.150 1.00 0.00 O ATOM 0 H GLU A 53 6.394 -4.099 -28.337 1.00 0.00 H new ATOM 0 HA GLU A 53 8.433 -5.927 -27.761 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.732 -4.785 -30.483 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.563 -6.294 -30.162 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.471 -7.116 -30.557 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.337 -6.865 -28.827 1.00 0.00 H new ATOM 812 N ASN A 54 9.369 -2.959 -28.792 1.00 0.00 N ATOM 813 CA ASN A 54 10.494 -2.038 -28.948 1.00 0.00 C ATOM 814 C ASN A 54 11.346 -1.993 -27.681 1.00 0.00 C ATOM 815 O ASN A 54 12.563 -1.812 -27.742 1.00 0.00 O ATOM 816 CB ASN A 54 9.980 -0.624 -29.235 1.00 0.00 C ATOM 817 CG ASN A 54 11.110 0.377 -29.411 1.00 0.00 C ATOM 818 OD1 ASN A 54 12.149 0.057 -29.980 1.00 0.00 O ATOM 819 ND2 ASN A 54 10.922 1.580 -28.907 1.00 0.00 N ATOM 0 H ASN A 54 8.455 -2.509 -28.840 1.00 0.00 H new ATOM 0 HA ASN A 54 11.101 -2.396 -29.779 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.367 -0.639 -30.136 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.336 -0.301 -28.417 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.655 2.285 -28.983 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.043 1.806 -28.441 1.00 0.00 H new ATOM 826 N GLN A 55 10.700 -2.157 -26.540 1.00 0.00 N ATOM 827 CA GLN A 55 11.392 -2.164 -25.259 1.00 0.00 C ATOM 828 C GLN A 55 12.259 -3.399 -25.146 1.00 0.00 C ATOM 829 O GLN A 55 13.327 -3.376 -24.549 1.00 0.00 O ATOM 830 CB GLN A 55 10.392 -2.114 -24.103 1.00 0.00 C ATOM 831 CG GLN A 55 9.575 -0.830 -24.025 1.00 0.00 C ATOM 832 CD GLN A 55 10.402 0.404 -23.682 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.598 0.484 -23.978 1.00 0.00 O ATOM 834 NE2 GLN A 55 9.768 1.368 -23.049 1.00 0.00 N ATOM 0 H GLN A 55 9.691 -2.288 -26.473 1.00 0.00 H new ATOM 0 HA GLN A 55 12.025 -1.278 -25.203 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.709 -2.959 -24.194 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.934 -2.242 -23.166 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.077 -0.668 -24.981 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.793 -0.952 -23.275 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.779 1.265 -22.822 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.266 2.219 -22.786 1.00 0.00 H new ATOM 843 N LEU A 56 11.776 -4.476 -25.722 1.00 0.00 N ATOM 844 CA LEU A 56 12.481 -5.728 -25.738 1.00 0.00 C ATOM 845 C LEU A 56 13.621 -5.717 -26.751 1.00 0.00 C ATOM 846 O LEU A 56 13.600 -4.962 -27.734 1.00 0.00 O ATOM 847 CB LEU A 56 11.519 -6.889 -25.984 1.00 0.00 C ATOM 848 CG LEU A 56 10.461 -7.100 -24.897 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.500 -8.208 -25.281 1.00 0.00 C ATOM 850 CD2 LEU A 56 11.122 -7.403 -23.557 1.00 0.00 C ATOM 0 H LEU A 56 10.873 -4.503 -26.196 1.00 0.00 H new ATOM 0 HA LEU A 56 12.931 -5.871 -24.756 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.012 -6.725 -26.935 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.100 -7.806 -26.086 1.00 0.00 H new ATOM 0 HG LEU A 56 9.889 -6.177 -24.799 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.759 -8.337 -24.492 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.997 -7.947 -26.212 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.052 -9.138 -25.416 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.354 -7.550 -22.797 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.724 -8.308 -23.644 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.762 -6.568 -23.270 1.00 0.00 H new ATOM 862 N PHE A 57 14.613 -6.536 -26.488 1.00 0.00 N ATOM 863 CA PHE A 57 15.800 -6.639 -27.318 1.00 0.00 C ATOM 864 C PHE A 57 15.450 -7.113 -28.731 1.00 0.00 C ATOM 865 O PHE A 57 14.448 -7.819 -28.926 1.00 0.00 O ATOM 866 CB PHE A 57 16.800 -7.586 -26.655 1.00 0.00 C ATOM 867 CG PHE A 57 17.209 -7.131 -25.285 1.00 0.00 C ATOM 868 CD1 PHE A 57 16.491 -7.522 -24.167 1.00 0.00 C ATOM 869 CD2 PHE A 57 18.297 -6.297 -25.118 1.00 0.00 C ATOM 870 CE1 PHE A 57 16.852 -7.091 -22.913 1.00 0.00 C ATOM 871 CE2 PHE A 57 18.666 -5.865 -23.865 1.00 0.00 C ATOM 872 CZ PHE A 57 17.942 -6.263 -22.761 1.00 0.00 C ATOM 0 H PHE A 57 14.622 -7.160 -25.681 1.00 0.00 H new ATOM 0 HA PHE A 57 16.251 -5.651 -27.413 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.361 -8.581 -26.587 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.686 -7.671 -27.284 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.637 -8.173 -24.282 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.865 -5.980 -25.981 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.283 -7.401 -22.049 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.521 -5.216 -23.746 1.00 0.00 H new ATOM 0 HZ PHE A 57 18.230 -5.925 -21.776 1.00 0.00 H new ATOM 882 N PRO A 58 16.257 -6.720 -29.735 1.00 0.00 N ATOM 883 CA PRO A 58 16.017 -7.075 -31.136 1.00 0.00 C ATOM 884 C PRO A 58 16.253 -8.559 -31.425 1.00 0.00 C ATOM 885 O PRO A 58 17.006 -9.240 -30.712 1.00 0.00 O ATOM 886 CB PRO A 58 17.006 -6.193 -31.896 1.00 0.00 C ATOM 887 CG PRO A 58 18.132 -6.006 -30.948 1.00 0.00 C ATOM 888 CD PRO A 58 17.492 -5.908 -29.589 1.00 0.00 C ATOM 0 HA PRO A 58 14.979 -6.914 -31.426 1.00 0.00 H new ATOM 0 HB2 PRO A 58 17.337 -6.670 -32.818 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.557 -5.239 -32.174 1.00 0.00 H new ATOM 0 HG2 PRO A 58 18.830 -6.842 -30.995 1.00 0.00 H new ATOM 0 HG3 PRO A 58 18.698 -5.105 -31.182 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.143 -6.302 -28.808 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.266 -4.875 -29.324 1.00 0.00 H new ATOM 896 N ASP A 59 15.590 -9.056 -32.458 1.00 0.00 N ATOM 897 CA ASP A 59 15.696 -10.454 -32.848 1.00 0.00 C ATOM 898 C ASP A 59 16.943 -10.692 -33.652 1.00 0.00 C ATOM 899 O ASP A 59 17.106 -10.133 -34.737 1.00 0.00 O ATOM 900 CB ASP A 59 14.485 -10.879 -33.681 1.00 0.00 C ATOM 901 CG ASP A 59 14.526 -12.347 -34.077 1.00 0.00 C ATOM 902 OD1 ASP A 59 14.034 -13.193 -33.291 1.00 0.00 O ATOM 903 OD2 ASP A 59 15.029 -12.664 -35.174 1.00 0.00 O ATOM 0 H ASP A 59 14.966 -8.505 -33.047 1.00 0.00 H new ATOM 0 HA ASP A 59 15.735 -11.045 -31.933 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.574 -10.686 -33.114 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.436 -10.266 -34.581 1.00 0.00 H new ATOM 908 N ASN A 60 17.816 -11.507 -33.123 1.00 0.00 N ATOM 909 CA ASN A 60 19.004 -11.898 -33.833 1.00 0.00 C ATOM 910 C ASN A 60 19.081 -13.419 -33.880 1.00 0.00 C ATOM 911 O ASN A 60 19.883 -14.045 -33.180 1.00 0.00 O ATOM 912 CB ASN A 60 20.250 -11.282 -33.179 1.00 0.00 C ATOM 913 CG ASN A 60 21.532 -11.550 -33.941 1.00 0.00 C ATOM 914 OD1 ASN A 60 21.526 -11.725 -35.161 1.00 0.00 O ATOM 915 ND2 ASN A 60 22.644 -11.565 -33.232 1.00 0.00 N ATOM 0 H ASN A 60 17.725 -11.917 -32.193 1.00 0.00 H new ATOM 0 HA ASN A 60 18.963 -11.523 -34.856 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.108 -10.205 -33.091 1.00 0.00 H new ATOM 0 HB3 ASN A 60 20.350 -11.674 -32.167 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.540 -11.726 -33.692 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.608 -11.416 -32.224 1.00 0.00 H new ATOM 922 N PHE A 61 18.173 -14.007 -34.652 1.00 0.00 N ATOM 923 CA PHE A 61 18.106 -15.456 -34.811 1.00 0.00 C ATOM 924 C PHE A 61 19.383 -16.008 -35.442 1.00 0.00 C ATOM 925 O PHE A 61 19.945 -17.009 -34.981 1.00 0.00 O ATOM 926 CB PHE A 61 16.874 -15.863 -35.637 1.00 0.00 C ATOM 927 CG PHE A 61 16.716 -17.355 -35.809 1.00 0.00 C ATOM 928 CD1 PHE A 61 16.245 -18.138 -34.765 1.00 0.00 C ATOM 929 CD2 PHE A 61 17.043 -17.971 -37.005 1.00 0.00 C ATOM 930 CE1 PHE A 61 16.106 -19.506 -34.913 1.00 0.00 C ATOM 931 CE2 PHE A 61 16.900 -19.338 -37.164 1.00 0.00 C ATOM 932 CZ PHE A 61 16.432 -20.108 -36.115 1.00 0.00 C ATOM 0 H PHE A 61 17.467 -13.497 -35.182 1.00 0.00 H new ATOM 0 HA PHE A 61 18.010 -15.890 -33.816 1.00 0.00 H new ATOM 0 HB2 PHE A 61 15.980 -15.466 -35.156 1.00 0.00 H new ATOM 0 HB3 PHE A 61 16.940 -15.399 -36.621 1.00 0.00 H new ATOM 0 HD1 PHE A 61 15.984 -17.674 -33.826 1.00 0.00 H new ATOM 0 HD2 PHE A 61 17.415 -17.376 -37.826 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.743 -20.104 -34.090 1.00 0.00 H new ATOM 0 HE2 PHE A 61 17.153 -19.803 -38.105 1.00 0.00 H new ATOM 0 HZ PHE A 61 16.321 -21.176 -36.234 1.00 0.00 H new ATOM 942 N ALA A 62 19.835 -15.350 -36.486 1.00 0.00 N ATOM 943 CA ALA A 62 20.973 -15.816 -37.251 1.00 0.00 C ATOM 944 C ALA A 62 21.806 -14.641 -37.731 1.00 0.00 C ATOM 945 O ALA A 62 21.317 -13.513 -37.789 1.00 0.00 O ATOM 946 CB ALA A 62 20.493 -16.647 -38.434 1.00 0.00 C ATOM 0 H ALA A 62 19.427 -14.480 -36.829 1.00 0.00 H new ATOM 0 HA ALA A 62 21.598 -16.439 -36.612 1.00 0.00 H new ATOM 0 HB1 ALA A 62 21.353 -16.995 -39.007 1.00 0.00 H new ATOM 0 HB2 ALA A 62 19.927 -17.505 -38.070 1.00 0.00 H new ATOM 0 HB3 ALA A 62 19.855 -16.036 -39.073 1.00 0.00 H new ATOM 952 N LYS A 63 23.055 -14.900 -38.064 1.00 0.00 N ATOM 953 CA LYS A 63 23.943 -13.859 -38.534 1.00 0.00 C ATOM 954 C LYS A 63 23.852 -13.715 -40.050 1.00 0.00 C ATOM 955 O LYS A 63 23.110 -12.834 -40.516 1.00 0.00 O ATOM 956 CB LYS A 63 25.404 -14.069 -38.069 1.00 0.00 C ATOM 957 CG LYS A 63 26.002 -15.453 -38.350 1.00 0.00 C ATOM 958 CD LYS A 63 25.748 -16.439 -37.215 1.00 0.00 C ATOM 959 CE LYS A 63 26.565 -16.092 -35.974 1.00 0.00 C ATOM 960 NZ LYS A 63 28.025 -16.256 -36.201 1.00 0.00 N ATOM 961 OXT LYS A 63 24.496 -14.500 -40.779 1.00 0.00 O ATOM 0 H LYS A 63 23.478 -15.827 -38.017 1.00 0.00 H new ATOM 0 HA LYS A 63 23.611 -12.925 -38.082 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.030 -13.319 -38.552 1.00 0.00 H new ATOM 0 HB3 LYS A 63 25.454 -13.884 -36.996 1.00 0.00 H new ATOM 0 HG2 LYS A 63 25.577 -15.848 -39.273 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.076 -15.356 -38.509 1.00 0.00 H new ATOM 0 HD2 LYS A 63 24.687 -16.440 -36.964 1.00 0.00 H new ATOM 0 HD3 LYS A 63 25.998 -17.447 -37.546 1.00 0.00 H new ATOM 0 HE2 LYS A 63 26.358 -15.063 -35.680 1.00 0.00 H new ATOM 0 HE3 LYS A 63 26.254 -16.729 -35.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.520 -16.261 -35.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.201 -17.154 -36.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.377 -15.468 -36.781 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 8.674 -18.987 -22.062 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.583 -6.305 -15.723 1.00 0.00 ZN