USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 45 HIS HD1 : A 45 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 29 LYS NZ :NH3+ 153:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 MET CE :methyl -179:sc= 0 (180deg=-0.000898) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 23:sc= 0.248 USER MOD Single : A 6 SER OG : rot 12:sc= 0.676 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0327 F(o=-2!,f=-0.033) USER MOD Single : A 23 GLN : amide:sc= -4.25! C(o=-4.3!,f=-4.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 135:sc= 0 (180deg=-0.0765) USER MOD Single : A 35 ASN : amide:sc= 0.16 K(o=0.16,f=-3.3!) USER MOD Single : A 48 THR OG1 : rot -144:sc= 1.41 USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.34) USER MOD Single : A 51 GLN : amide:sc= -3.57! C(o=-3.6!,f=-4.6!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 42:sc= 0.191 USER MOD Single : A 67 THR OG1 : rot -55:sc= 1.19 USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= -0.0378 (180deg=-0.058) USER MOD Single : A 70 GLN : amide:sc= -3.28! X(o=-3.3!,f=-3.6) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -137:sc= 0 (180deg=-1.02) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.947 -30.406 31.755 1.00 0.00 N ATOM 2 CA GLY A 1 -39.248 -30.152 30.358 1.00 0.00 C ATOM 3 C GLY A 1 -38.274 -29.179 29.723 1.00 0.00 C ATOM 4 O GLY A 1 -38.641 -28.052 29.392 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.641 -31.077 32.143 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.992 -30.810 31.837 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.992 -29.514 32.288 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.227 -31.093 29.808 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -40.260 -29.756 30.274 1.00 0.00 H new ATOM 8 N SER A 2 -37.030 -29.615 29.553 1.00 0.00 N ATOM 9 CA SER A 2 -36.000 -28.773 28.958 1.00 0.00 C ATOM 10 C SER A 2 -35.252 -29.523 27.859 1.00 0.00 C ATOM 11 O SER A 2 -34.291 -30.243 28.128 1.00 0.00 O ATOM 12 CB SER A 2 -35.015 -28.301 30.029 1.00 0.00 C ATOM 13 OG SER A 2 -35.543 -27.208 30.761 1.00 0.00 O ATOM 0 H SER A 2 -36.711 -30.547 29.819 1.00 0.00 H new ATOM 0 HA SER A 2 -36.488 -27.905 28.515 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.790 -29.123 30.708 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.075 -28.009 29.560 1.00 0.00 H new ATOM 0 HG SER A 2 -34.895 -26.926 31.440 1.00 0.00 H new ATOM 19 N SER A 3 -35.702 -29.348 26.621 1.00 0.00 N ATOM 20 CA SER A 3 -35.079 -30.010 25.481 1.00 0.00 C ATOM 21 C SER A 3 -34.074 -29.087 24.798 1.00 0.00 C ATOM 22 O SER A 3 -34.123 -27.869 24.961 1.00 0.00 O ATOM 23 CB SER A 3 -36.145 -30.454 24.477 1.00 0.00 C ATOM 24 OG SER A 3 -37.043 -31.380 25.062 1.00 0.00 O ATOM 0 H SER A 3 -36.496 -28.754 26.382 1.00 0.00 H new ATOM 0 HA SER A 3 -34.548 -30.888 25.849 1.00 0.00 H new ATOM 0 HB2 SER A 3 -36.696 -29.585 24.119 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.665 -30.907 23.609 1.00 0.00 H new ATOM 0 HG SER A 3 -37.715 -31.647 24.400 1.00 0.00 H new ATOM 30 N GLY A 4 -33.162 -29.678 24.032 1.00 0.00 N ATOM 31 CA GLY A 4 -32.158 -28.895 23.336 1.00 0.00 C ATOM 32 C GLY A 4 -30.757 -29.437 23.540 1.00 0.00 C ATOM 33 O GLY A 4 -30.192 -29.321 24.628 1.00 0.00 O ATOM 0 H GLY A 4 -33.101 -30.685 23.881 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.387 -28.880 22.270 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.200 -27.863 23.685 1.00 0.00 H new ATOM 37 N SER A 5 -30.195 -30.031 22.492 1.00 0.00 N ATOM 38 CA SER A 5 -28.853 -30.597 22.563 1.00 0.00 C ATOM 39 C SER A 5 -27.898 -29.849 21.638 1.00 0.00 C ATOM 40 O SER A 5 -28.171 -29.682 20.449 1.00 0.00 O ATOM 41 CB SER A 5 -28.883 -32.081 22.192 1.00 0.00 C ATOM 42 OG SER A 5 -29.372 -32.268 20.875 1.00 0.00 O ATOM 0 H SER A 5 -30.648 -30.133 21.584 1.00 0.00 H new ATOM 0 HA SER A 5 -28.495 -30.493 23.587 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.880 -32.500 22.274 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.513 -32.623 22.897 1.00 0.00 H new ATOM 0 HG SER A 5 -29.253 -31.442 20.361 1.00 0.00 H new ATOM 48 N SER A 6 -26.777 -29.400 22.193 1.00 0.00 N ATOM 49 CA SER A 6 -25.782 -28.665 21.420 1.00 0.00 C ATOM 50 C SER A 6 -25.467 -29.388 20.114 1.00 0.00 C ATOM 51 O SER A 6 -25.065 -30.551 20.116 1.00 0.00 O ATOM 52 CB SER A 6 -24.501 -28.485 22.237 1.00 0.00 C ATOM 53 OG SER A 6 -23.778 -29.700 22.326 1.00 0.00 O ATOM 0 H SER A 6 -26.535 -29.532 23.175 1.00 0.00 H new ATOM 0 HA SER A 6 -26.194 -27.684 21.183 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.877 -27.720 21.776 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.751 -28.133 23.238 1.00 0.00 H new ATOM 0 HG SER A 6 -24.151 -30.350 21.694 1.00 0.00 H new ATOM 59 N GLY A 7 -25.654 -28.690 18.998 1.00 0.00 N ATOM 60 CA GLY A 7 -25.387 -29.280 17.699 1.00 0.00 C ATOM 61 C GLY A 7 -23.951 -29.079 17.257 1.00 0.00 C ATOM 62 O GLY A 7 -23.030 -29.658 17.833 1.00 0.00 O ATOM 0 H GLY A 7 -25.986 -27.726 18.970 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.607 -30.347 17.735 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.057 -28.841 16.959 1.00 0.00 H new ATOM 66 N SER A 8 -23.759 -28.259 16.229 1.00 0.00 N ATOM 67 CA SER A 8 -22.425 -27.988 15.705 1.00 0.00 C ATOM 68 C SER A 8 -21.986 -26.568 16.046 1.00 0.00 C ATOM 69 O SER A 8 -22.809 -25.656 16.140 1.00 0.00 O ATOM 70 CB SER A 8 -22.398 -28.193 14.189 1.00 0.00 C ATOM 71 OG SER A 8 -22.719 -29.530 13.849 1.00 0.00 O ATOM 0 H SER A 8 -24.510 -27.770 15.742 1.00 0.00 H new ATOM 0 HA SER A 8 -21.730 -28.686 16.171 1.00 0.00 H new ATOM 0 HB2 SER A 8 -23.106 -27.514 13.715 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.410 -27.944 13.803 1.00 0.00 H new ATOM 0 HG SER A 8 -22.696 -29.634 12.875 1.00 0.00 H new ATOM 77 N LEU A 9 -20.683 -26.387 16.230 1.00 0.00 N ATOM 78 CA LEU A 9 -20.131 -25.077 16.561 1.00 0.00 C ATOM 79 C LEU A 9 -19.054 -24.671 15.560 1.00 0.00 C ATOM 80 O LEU A 9 -17.935 -25.180 15.599 1.00 0.00 O ATOM 81 CB LEU A 9 -19.550 -25.089 17.976 1.00 0.00 C ATOM 82 CG LEU A 9 -19.565 -23.753 18.719 1.00 0.00 C ATOM 83 CD1 LEU A 9 -19.585 -23.978 20.223 1.00 0.00 C ATOM 84 CD2 LEU A 9 -18.364 -22.907 18.321 1.00 0.00 C ATOM 0 H LEU A 9 -19.989 -27.130 16.156 1.00 0.00 H new ATOM 0 HA LEU A 9 -20.939 -24.347 16.513 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -20.104 -25.818 18.568 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -18.519 -25.440 17.921 1.00 0.00 H new ATOM 0 HG LEU A 9 -20.471 -23.215 18.441 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -19.595 -23.016 20.735 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -20.477 -24.543 20.495 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -18.697 -24.537 20.519 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -18.392 -21.960 18.860 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.446 -23.439 18.569 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -18.393 -22.715 17.248 1.00 0.00 H new ATOM 96 N GLN A 10 -19.401 -23.750 14.667 1.00 0.00 N ATOM 97 CA GLN A 10 -18.463 -23.275 13.657 1.00 0.00 C ATOM 98 C GLN A 10 -18.043 -21.835 13.938 1.00 0.00 C ATOM 99 O GLN A 10 -18.884 -20.967 14.170 1.00 0.00 O ATOM 100 CB GLN A 10 -19.086 -23.374 12.264 1.00 0.00 C ATOM 101 CG GLN A 10 -20.267 -22.440 12.058 1.00 0.00 C ATOM 102 CD GLN A 10 -20.829 -22.510 10.652 1.00 0.00 C ATOM 103 OE1 GLN A 10 -21.126 -23.591 10.143 1.00 0.00 O ATOM 104 NE2 GLN A 10 -20.978 -21.354 10.015 1.00 0.00 N ATOM 0 H GLN A 10 -20.324 -23.318 14.622 1.00 0.00 H new ATOM 0 HA GLN A 10 -17.576 -23.907 13.696 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -18.323 -23.152 11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -19.411 -24.400 12.092 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -21.052 -22.690 12.772 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -19.957 -21.417 12.271 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -20.719 -20.481 10.475 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.352 -21.339 9.066 1.00 0.00 H new ATOM 113 N LYS A 11 -16.738 -21.590 13.916 1.00 0.00 N ATOM 114 CA LYS A 11 -16.206 -20.256 14.167 1.00 0.00 C ATOM 115 C LYS A 11 -15.260 -19.828 13.049 1.00 0.00 C ATOM 116 O LYS A 11 -14.171 -20.380 12.901 1.00 0.00 O ATOM 117 CB LYS A 11 -15.473 -20.221 15.510 1.00 0.00 C ATOM 118 CG LYS A 11 -14.490 -21.363 15.696 1.00 0.00 C ATOM 119 CD LYS A 11 -13.944 -21.403 17.114 1.00 0.00 C ATOM 120 CE LYS A 11 -12.739 -22.325 17.221 1.00 0.00 C ATOM 121 NZ LYS A 11 -13.120 -23.756 17.067 1.00 0.00 N ATOM 0 H LYS A 11 -16.029 -22.298 13.727 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.043 -19.559 14.198 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.939 -19.275 15.598 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.207 -20.249 16.316 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.982 -22.309 15.468 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.666 -21.254 14.991 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.663 -20.397 17.425 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.724 -21.741 17.796 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.009 -22.059 16.456 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.255 -22.180 18.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.271 -24.352 17.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.797 -24.017 17.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.558 -23.900 16.135 1.00 0.00 H new ATOM 135 N GLU A 12 -15.684 -18.840 12.266 1.00 0.00 N ATOM 136 CA GLU A 12 -14.874 -18.339 11.163 1.00 0.00 C ATOM 137 C GLU A 12 -14.721 -16.823 11.245 1.00 0.00 C ATOM 138 O GLU A 12 -15.570 -16.133 11.810 1.00 0.00 O ATOM 139 CB GLU A 12 -15.501 -18.728 9.822 1.00 0.00 C ATOM 140 CG GLU A 12 -14.486 -18.920 8.708 1.00 0.00 C ATOM 141 CD GLU A 12 -14.183 -17.634 7.966 1.00 0.00 C ATOM 142 OE1 GLU A 12 -15.110 -17.075 7.344 1.00 0.00 O ATOM 143 OE2 GLU A 12 -13.018 -17.185 8.007 1.00 0.00 O ATOM 0 H GLU A 12 -16.583 -18.372 12.376 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.885 -18.791 11.238 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -16.067 -19.651 9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -16.212 -17.957 9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.563 -19.319 9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.862 -19.662 8.003 1.00 0.00 H new ATOM 150 N ILE A 13 -13.633 -16.313 10.678 1.00 0.00 N ATOM 151 CA ILE A 13 -13.368 -14.879 10.686 1.00 0.00 C ATOM 152 C ILE A 13 -13.768 -14.239 9.361 1.00 0.00 C ATOM 153 O ILE A 13 -13.527 -14.798 8.292 1.00 0.00 O ATOM 154 CB ILE A 13 -11.882 -14.582 10.959 1.00 0.00 C ATOM 155 CG1 ILE A 13 -11.364 -15.463 12.098 1.00 0.00 C ATOM 156 CG2 ILE A 13 -11.688 -13.110 11.291 1.00 0.00 C ATOM 157 CD1 ILE A 13 -9.898 -15.253 12.406 1.00 0.00 C ATOM 0 H ILE A 13 -12.921 -16.871 10.207 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.968 -14.452 11.489 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.310 -14.810 10.059 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -11.948 -15.262 12.996 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -11.526 -16.509 11.840 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.632 -12.916 11.481 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.023 -12.500 10.452 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.269 -12.857 12.178 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.600 -15.910 13.223 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.304 -15.482 11.521 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.732 -14.215 12.696 1.00 0.00 H new ATOM 169 N SER A 14 -14.380 -13.061 9.440 1.00 0.00 N ATOM 170 CA SER A 14 -14.815 -12.344 8.247 1.00 0.00 C ATOM 171 C SER A 14 -13.654 -11.581 7.618 1.00 0.00 C ATOM 172 O SER A 14 -12.553 -11.536 8.169 1.00 0.00 O ATOM 173 CB SER A 14 -15.948 -11.377 8.593 1.00 0.00 C ATOM 174 OG SER A 14 -17.011 -12.049 9.246 1.00 0.00 O ATOM 0 H SER A 14 -14.586 -12.583 10.318 1.00 0.00 H new ATOM 0 HA SER A 14 -15.179 -13.076 7.526 1.00 0.00 H new ATOM 0 HB2 SER A 14 -15.568 -10.582 9.234 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.317 -10.904 7.683 1.00 0.00 H new ATOM 0 HG SER A 14 -17.722 -11.408 9.458 1.00 0.00 H new ATOM 180 N THR A 15 -13.907 -10.981 6.459 1.00 0.00 N ATOM 181 CA THR A 15 -12.884 -10.221 5.752 1.00 0.00 C ATOM 182 C THR A 15 -12.507 -8.960 6.522 1.00 0.00 C ATOM 183 O THR A 15 -11.365 -8.505 6.463 1.00 0.00 O ATOM 184 CB THR A 15 -13.353 -9.825 4.339 1.00 0.00 C ATOM 185 OG1 THR A 15 -12.231 -9.421 3.546 1.00 0.00 O ATOM 186 CG2 THR A 15 -14.369 -8.695 4.403 1.00 0.00 C ATOM 0 H THR A 15 -14.812 -11.007 5.990 1.00 0.00 H new ATOM 0 HA THR A 15 -12.011 -10.868 5.668 1.00 0.00 H new ATOM 0 HB THR A 15 -13.827 -10.693 3.881 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.537 -9.172 2.649 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.685 -8.433 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.234 -9.016 4.983 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.916 -7.825 4.879 1.00 0.00 H new ATOM 194 N GLU A 16 -13.473 -8.401 7.242 1.00 0.00 N ATOM 195 CA GLU A 16 -13.241 -7.191 8.023 1.00 0.00 C ATOM 196 C GLU A 16 -12.117 -7.403 9.033 1.00 0.00 C ATOM 197 O GLU A 16 -11.146 -6.648 9.063 1.00 0.00 O ATOM 198 CB GLU A 16 -14.521 -6.772 8.749 1.00 0.00 C ATOM 199 CG GLU A 16 -15.495 -6.005 7.871 1.00 0.00 C ATOM 200 CD GLU A 16 -16.373 -5.057 8.665 1.00 0.00 C ATOM 201 OE1 GLU A 16 -17.441 -5.494 9.141 1.00 0.00 O ATOM 202 OE2 GLU A 16 -15.991 -3.876 8.809 1.00 0.00 O ATOM 0 H GLU A 16 -14.424 -8.766 7.301 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.945 -6.398 7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.017 -7.662 9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.256 -6.156 9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.938 -5.439 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.125 -6.711 7.330 1.00 0.00 H new ATOM 209 N GLU A 17 -12.258 -8.436 9.858 1.00 0.00 N ATOM 210 CA GLU A 17 -11.255 -8.747 10.870 1.00 0.00 C ATOM 211 C GLU A 17 -10.004 -9.344 10.232 1.00 0.00 C ATOM 212 O GLU A 17 -8.897 -8.845 10.428 1.00 0.00 O ATOM 213 CB GLU A 17 -11.826 -9.718 11.905 1.00 0.00 C ATOM 214 CG GLU A 17 -11.238 -9.542 13.295 1.00 0.00 C ATOM 215 CD GLU A 17 -11.949 -10.380 14.340 1.00 0.00 C ATOM 216 OE1 GLU A 17 -12.614 -11.366 13.957 1.00 0.00 O ATOM 217 OE2 GLU A 17 -11.842 -10.051 15.539 1.00 0.00 O ATOM 0 H GLU A 17 -13.056 -9.071 9.845 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.979 -7.817 11.368 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.907 -9.586 11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.646 -10.740 11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.182 -9.812 13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.293 -8.491 13.578 1.00 0.00 H new ATOM 224 N GLN A 18 -10.191 -10.416 9.468 1.00 0.00 N ATOM 225 CA GLN A 18 -9.078 -11.082 8.802 1.00 0.00 C ATOM 226 C GLN A 18 -8.111 -10.064 8.208 1.00 0.00 C ATOM 227 O GLN A 18 -6.898 -10.155 8.406 1.00 0.00 O ATOM 228 CB GLN A 18 -9.597 -12.012 7.703 1.00 0.00 C ATOM 229 CG GLN A 18 -10.188 -13.308 8.232 1.00 0.00 C ATOM 230 CD GLN A 18 -10.619 -14.248 7.124 1.00 0.00 C ATOM 231 OE1 GLN A 18 -11.708 -13.903 6.445 1.00 0.00 O flip ATOM 232 NE2 GLN A 18 -9.982 -15.273 6.879 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.102 -10.841 9.295 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.543 -11.673 9.546 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.355 -11.487 7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.780 -12.247 7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.452 -13.808 8.862 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.046 -13.080 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.151 -15.500 7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.285 -15.895 6.130 1.00 0.00 H new ATOM 241 N LEU A 19 -8.653 -9.094 7.480 1.00 0.00 N ATOM 242 CA LEU A 19 -7.838 -8.058 6.856 1.00 0.00 C ATOM 243 C LEU A 19 -7.167 -7.185 7.912 1.00 0.00 C ATOM 244 O LEU A 19 -5.965 -6.928 7.847 1.00 0.00 O ATOM 245 CB LEU A 19 -8.697 -7.193 5.933 1.00 0.00 C ATOM 246 CG LEU A 19 -8.913 -7.731 4.518 1.00 0.00 C ATOM 247 CD1 LEU A 19 -9.104 -9.240 4.544 1.00 0.00 C ATOM 248 CD2 LEU A 19 -10.108 -7.052 3.866 1.00 0.00 C ATOM 0 H LEU A 19 -9.654 -9.003 7.307 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.061 -8.546 6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.672 -7.055 6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.237 -6.208 5.859 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.026 -7.508 3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.256 -9.605 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.218 -9.712 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.974 -9.486 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.247 -7.447 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.003 -7.244 4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.932 -5.978 3.813 1.00 0.00 H new ATOM 260 N ARG A 20 -7.952 -6.732 8.884 1.00 0.00 N ATOM 261 CA ARG A 20 -7.434 -5.889 9.954 1.00 0.00 C ATOM 262 C ARG A 20 -6.225 -6.538 10.622 1.00 0.00 C ATOM 263 O ARG A 20 -5.481 -5.884 11.353 1.00 0.00 O ATOM 264 CB ARG A 20 -8.523 -5.621 10.995 1.00 0.00 C ATOM 265 CG ARG A 20 -8.443 -6.534 12.208 1.00 0.00 C ATOM 266 CD ARG A 20 -8.933 -5.834 13.465 1.00 0.00 C ATOM 267 NE ARG A 20 -9.444 -6.779 14.455 1.00 0.00 N ATOM 268 CZ ARG A 20 -8.666 -7.477 15.274 1.00 0.00 C ATOM 269 NH1 ARG A 20 -7.348 -7.336 15.224 1.00 0.00 N ATOM 270 NH2 ARG A 20 -9.206 -8.317 16.148 1.00 0.00 N ATOM 0 H ARG A 20 -8.949 -6.935 8.952 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.120 -4.942 9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.451 -4.585 11.325 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.500 -5.739 10.526 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.041 -7.428 12.032 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.413 -6.862 12.351 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.116 -5.259 13.901 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.718 -5.125 13.202 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.453 -6.910 14.521 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.929 -6.690 14.555 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.753 -7.874 15.855 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.219 -8.427 16.191 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.608 -8.853 16.777 1.00 0.00 H new ATOM 284 N ARG A 21 -6.037 -7.829 10.365 1.00 0.00 N ATOM 285 CA ARG A 21 -4.920 -8.567 10.943 1.00 0.00 C ATOM 286 C ARG A 21 -3.677 -8.446 10.066 1.00 0.00 C ATOM 287 O ARG A 21 -2.578 -8.193 10.561 1.00 0.00 O ATOM 288 CB ARG A 21 -5.292 -10.041 11.119 1.00 0.00 C ATOM 289 CG ARG A 21 -6.473 -10.264 12.050 1.00 0.00 C ATOM 290 CD ARG A 21 -6.853 -11.734 12.124 1.00 0.00 C ATOM 291 NE ARG A 21 -5.930 -12.496 12.961 1.00 0.00 N ATOM 292 CZ ARG A 21 -4.799 -13.030 12.511 1.00 0.00 C ATOM 293 NH1 ARG A 21 -4.454 -12.884 11.239 1.00 0.00 N ATOM 294 NH2 ARG A 21 -4.011 -13.710 13.333 1.00 0.00 N ATOM 0 H ARG A 21 -6.643 -8.385 9.761 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.698 -8.136 11.919 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.524 -10.468 10.143 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.428 -10.581 11.506 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.225 -9.900 13.047 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.327 -9.683 11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.864 -11.828 12.521 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.865 -12.157 11.119 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.166 -12.625 13.945 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.057 -12.361 10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.586 -13.295 10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.273 -13.824 14.312 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.144 -14.119 12.986 1.00 0.00 H new ATOM 308 N LEU A 22 -3.859 -8.630 8.763 1.00 0.00 N ATOM 309 CA LEU A 22 -2.752 -8.542 7.817 1.00 0.00 C ATOM 310 C LEU A 22 -2.661 -7.144 7.213 1.00 0.00 C ATOM 311 O LEU A 22 -1.606 -6.511 7.248 1.00 0.00 O ATOM 312 CB LEU A 22 -2.922 -9.579 6.705 1.00 0.00 C ATOM 313 CG LEU A 22 -4.362 -9.922 6.322 1.00 0.00 C ATOM 314 CD1 LEU A 22 -4.462 -10.218 4.833 1.00 0.00 C ATOM 315 CD2 LEU A 22 -4.864 -11.104 7.138 1.00 0.00 C ATOM 0 H LEU A 22 -4.762 -8.841 8.338 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.828 -8.745 8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.407 -9.216 5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.420 -10.497 7.012 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.992 -9.060 6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.494 -10.460 4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.144 -9.343 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.820 -11.063 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.890 -11.334 6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.232 -11.971 6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.830 -10.855 8.199 1.00 0.00 H new ATOM 327 N GLN A 23 -3.774 -6.668 6.664 1.00 0.00 N ATOM 328 CA GLN A 23 -3.819 -5.344 6.055 1.00 0.00 C ATOM 329 C GLN A 23 -3.291 -4.284 7.017 1.00 0.00 C ATOM 330 O GLN A 23 -2.943 -3.178 6.605 1.00 0.00 O ATOM 331 CB GLN A 23 -5.249 -5.001 5.635 1.00 0.00 C ATOM 332 CG GLN A 23 -5.862 -6.013 4.680 1.00 0.00 C ATOM 333 CD GLN A 23 -6.937 -5.408 3.799 1.00 0.00 C ATOM 334 OE1 GLN A 23 -7.612 -4.455 4.189 1.00 0.00 O ATOM 335 NE2 GLN A 23 -7.101 -5.959 2.602 1.00 0.00 N ATOM 0 H GLN A 23 -4.656 -7.179 6.628 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.181 -5.357 5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.873 -4.930 6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.254 -4.019 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.078 -6.435 4.052 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.288 -6.836 5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.519 -6.748 2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.809 -5.593 1.965 1.00 0.00 H new ATOM 344 N GLU A 24 -3.235 -4.631 8.299 1.00 0.00 N ATOM 345 CA GLU A 24 -2.751 -3.708 9.318 1.00 0.00 C ATOM 346 C GLU A 24 -1.227 -3.740 9.402 1.00 0.00 C ATOM 347 O GLU A 24 -0.594 -2.744 9.749 1.00 0.00 O ATOM 348 CB GLU A 24 -3.355 -4.054 10.681 1.00 0.00 C ATOM 349 CG GLU A 24 -2.927 -5.413 11.208 1.00 0.00 C ATOM 350 CD GLU A 24 -3.261 -5.601 12.675 1.00 0.00 C ATOM 351 OE1 GLU A 24 -3.417 -4.585 13.384 1.00 0.00 O ATOM 352 OE2 GLU A 24 -3.367 -6.766 13.114 1.00 0.00 O ATOM 0 H GLU A 24 -3.519 -5.543 8.656 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.061 -2.702 9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.069 -3.288 11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.442 -4.029 10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.414 -6.195 10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.853 -5.532 11.066 1.00 0.00 H new ATOM 359 N GLU A 25 -0.648 -4.893 9.082 1.00 0.00 N ATOM 360 CA GLU A 25 0.801 -5.056 9.123 1.00 0.00 C ATOM 361 C GLU A 25 1.433 -4.637 7.799 1.00 0.00 C ATOM 362 O GLU A 25 2.646 -4.741 7.616 1.00 0.00 O ATOM 363 CB GLU A 25 1.164 -6.509 9.437 1.00 0.00 C ATOM 364 CG GLU A 25 1.258 -7.393 8.204 1.00 0.00 C ATOM 365 CD GLU A 25 1.838 -8.760 8.510 1.00 0.00 C ATOM 366 OE1 GLU A 25 1.068 -9.655 8.914 1.00 0.00 O ATOM 367 OE2 GLU A 25 3.064 -8.934 8.344 1.00 0.00 O ATOM 0 H GLU A 25 -1.159 -5.727 8.792 1.00 0.00 H new ATOM 0 HA GLU A 25 1.191 -4.413 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.118 -6.531 9.963 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.417 -6.923 10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.265 -7.512 7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.876 -6.900 7.454 1.00 0.00 H new ATOM 374 N LYS A 26 0.602 -4.162 6.877 1.00 0.00 N ATOM 375 CA LYS A 26 1.077 -3.726 5.570 1.00 0.00 C ATOM 376 C LYS A 26 1.056 -2.204 5.463 1.00 0.00 C ATOM 377 O LYS A 26 2.099 -1.569 5.299 1.00 0.00 O ATOM 378 CB LYS A 26 0.216 -4.337 4.462 1.00 0.00 C ATOM 379 CG LYS A 26 0.402 -5.836 4.304 1.00 0.00 C ATOM 380 CD LYS A 26 -0.541 -6.407 3.257 1.00 0.00 C ATOM 381 CE LYS A 26 -0.784 -7.892 3.478 1.00 0.00 C ATOM 382 NZ LYS A 26 -1.513 -8.511 2.337 1.00 0.00 N ATOM 0 H LYS A 26 -0.405 -4.069 7.012 1.00 0.00 H new ATOM 0 HA LYS A 26 2.106 -4.067 5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.833 -4.130 4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.454 -3.848 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.433 -6.048 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.226 -6.328 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.490 -5.873 3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.122 -6.250 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.171 -8.399 3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.357 -8.034 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.659 -9.523 2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.435 -8.044 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.955 -8.399 1.467 1.00 0.00 H new ATOM 396 N LEU A 27 -0.135 -1.625 5.559 1.00 0.00 N ATOM 397 CA LEU A 27 -0.291 -0.177 5.475 1.00 0.00 C ATOM 398 C LEU A 27 0.654 0.529 6.442 1.00 0.00 C ATOM 399 O LEU A 27 1.469 -0.110 7.108 1.00 0.00 O ATOM 400 CB LEU A 27 -1.737 0.219 5.778 1.00 0.00 C ATOM 401 CG LEU A 27 -2.166 0.126 7.242 1.00 0.00 C ATOM 402 CD1 LEU A 27 -1.332 -0.911 7.978 1.00 0.00 C ATOM 403 CD2 LEU A 27 -2.051 1.484 7.919 1.00 0.00 C ATOM 0 H LEU A 27 -1.007 -2.136 5.695 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.041 0.132 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.890 1.244 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.398 -0.414 5.186 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.210 -0.187 7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.652 -0.963 9.019 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.466 -1.885 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.280 -0.629 7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.361 1.399 8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.017 1.826 7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.693 2.201 7.407 1.00 0.00 H new ATOM 415 N CYS A 28 0.538 1.851 6.515 1.00 0.00 N ATOM 416 CA CYS A 28 1.380 2.645 7.402 1.00 0.00 C ATOM 417 C CYS A 28 1.386 2.063 8.812 1.00 0.00 C ATOM 418 O CYS A 28 0.563 1.211 9.148 1.00 0.00 O ATOM 419 CB CYS A 28 0.893 4.095 7.439 1.00 0.00 C ATOM 420 SG CYS A 28 2.088 5.262 8.166 1.00 0.00 S ATOM 0 H CYS A 28 -0.131 2.395 5.970 1.00 0.00 H new ATOM 0 HA CYS A 28 2.398 2.620 7.014 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.661 4.415 6.423 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.036 4.141 8.008 1.00 0.00 H new ATOM 425 N LYS A 29 2.321 2.528 9.634 1.00 0.00 N ATOM 426 CA LYS A 29 2.435 2.056 11.009 1.00 0.00 C ATOM 427 C LYS A 29 2.472 3.228 11.985 1.00 0.00 C ATOM 428 O LYS A 29 2.144 3.077 13.162 1.00 0.00 O ATOM 429 CB LYS A 29 3.694 1.201 11.174 1.00 0.00 C ATOM 430 CG LYS A 29 3.578 -0.178 10.549 1.00 0.00 C ATOM 431 CD LYS A 29 4.328 -1.222 11.360 1.00 0.00 C ATOM 432 CE LYS A 29 5.831 -1.000 11.299 1.00 0.00 C ATOM 433 NZ LYS A 29 6.587 -2.275 11.451 1.00 0.00 N ATOM 0 H LYS A 29 3.011 3.232 9.372 1.00 0.00 H new ATOM 0 HA LYS A 29 1.558 1.448 11.232 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.539 1.724 10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.913 1.092 12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.527 -0.458 10.476 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.972 -0.153 9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.996 -1.186 12.397 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.090 -2.217 10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.091 -0.535 10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.128 -0.306 12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.506 -2.193 10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.739 -2.470 12.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.044 -3.053 11.026 1.00 0.00 H new ATOM 447 N ILE A 30 2.871 4.393 11.488 1.00 0.00 N ATOM 448 CA ILE A 30 2.948 5.590 12.316 1.00 0.00 C ATOM 449 C ILE A 30 1.564 6.186 12.551 1.00 0.00 C ATOM 450 O ILE A 30 1.070 6.211 13.679 1.00 0.00 O ATOM 451 CB ILE A 30 3.854 6.660 11.678 1.00 0.00 C ATOM 452 CG1 ILE A 30 5.321 6.235 11.765 1.00 0.00 C ATOM 453 CG2 ILE A 30 3.644 8.005 12.357 1.00 0.00 C ATOM 454 CD1 ILE A 30 5.769 5.367 10.610 1.00 0.00 C ATOM 0 H ILE A 30 3.146 4.534 10.516 1.00 0.00 H new ATOM 0 HA ILE A 30 3.377 5.285 13.271 1.00 0.00 H new ATOM 0 HB ILE A 30 3.587 6.761 10.626 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.947 7.126 11.803 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.479 5.694 12.698 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.291 8.751 11.895 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.603 8.310 12.247 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.887 7.920 13.416 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.819 5.104 10.738 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.168 4.458 10.583 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.643 5.913 9.675 1.00 0.00 H new ATOM 466 N CYS A 31 0.942 6.664 11.478 1.00 0.00 N ATOM 467 CA CYS A 31 -0.386 7.258 11.565 1.00 0.00 C ATOM 468 C CYS A 31 -1.470 6.196 11.404 1.00 0.00 C ATOM 469 O CYS A 31 -2.516 6.259 12.048 1.00 0.00 O ATOM 470 CB CYS A 31 -0.554 8.340 10.497 1.00 0.00 C ATOM 471 SG CYS A 31 -0.698 7.693 8.800 1.00 0.00 S ATOM 0 H CYS A 31 1.337 6.651 10.538 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.490 7.710 12.551 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.443 8.928 10.727 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.298 9.018 10.545 1.00 0.00 H new ATOM 476 N MET A 32 -1.210 5.220 10.540 1.00 0.00 N ATOM 477 CA MET A 32 -2.162 4.143 10.295 1.00 0.00 C ATOM 478 C MET A 32 -3.493 4.697 9.799 1.00 0.00 C ATOM 479 O MET A 32 -4.559 4.275 10.249 1.00 0.00 O ATOM 480 CB MET A 32 -2.379 3.326 11.570 1.00 0.00 C ATOM 481 CG MET A 32 -1.093 2.788 12.175 1.00 0.00 C ATOM 482 SD MET A 32 -1.352 1.285 13.136 1.00 0.00 S ATOM 483 CE MET A 32 -1.545 0.076 11.828 1.00 0.00 C ATOM 0 H MET A 32 -0.348 5.153 9.998 1.00 0.00 H new ATOM 0 HA MET A 32 -1.749 3.494 9.523 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.885 3.948 12.308 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.043 2.491 11.348 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.378 2.586 11.378 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.650 3.551 12.814 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.959 -0.812 12.064 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.596 -0.197 11.737 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.197 0.500 10.886 1.00 0.00 H new ATOM 493 N ASP A 33 -3.425 5.643 8.869 1.00 0.00 N ATOM 494 CA ASP A 33 -4.626 6.254 8.310 1.00 0.00 C ATOM 495 C ASP A 33 -4.703 6.025 6.804 1.00 0.00 C ATOM 496 O ASP A 33 -5.783 5.813 6.253 1.00 0.00 O ATOM 497 CB ASP A 33 -4.649 7.753 8.612 1.00 0.00 C ATOM 498 CG ASP A 33 -5.313 8.067 9.938 1.00 0.00 C ATOM 499 OD1 ASP A 33 -5.215 7.233 10.864 1.00 0.00 O ATOM 500 OD2 ASP A 33 -5.931 9.146 10.052 1.00 0.00 O ATOM 0 H ASP A 33 -2.551 6.004 8.486 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.492 5.784 8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.628 8.134 8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.177 8.274 7.813 1.00 0.00 H new ATOM 505 N ARG A 34 -3.550 6.069 6.145 1.00 0.00 N ATOM 506 CA ARG A 34 -3.487 5.869 4.702 1.00 0.00 C ATOM 507 C ARG A 34 -2.622 4.659 4.359 1.00 0.00 C ATOM 508 O ARG A 34 -1.709 4.305 5.104 1.00 0.00 O ATOM 509 CB ARG A 34 -2.931 7.118 4.016 1.00 0.00 C ATOM 510 CG ARG A 34 -3.670 8.394 4.382 1.00 0.00 C ATOM 511 CD ARG A 34 -3.259 9.553 3.487 1.00 0.00 C ATOM 512 NE ARG A 34 -4.338 10.522 3.317 1.00 0.00 N ATOM 513 CZ ARG A 34 -4.724 11.367 4.267 1.00 0.00 C ATOM 514 NH1 ARG A 34 -4.122 11.361 5.448 1.00 0.00 N ATOM 515 NH2 ARG A 34 -5.714 12.220 4.036 1.00 0.00 N ATOM 0 H ARG A 34 -2.647 6.241 6.587 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.499 5.685 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.879 7.229 4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.976 6.979 2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.744 8.231 4.297 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.468 8.647 5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.389 10.051 3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.959 9.169 2.512 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.822 10.552 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.361 10.707 5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.420 12.011 6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.179 12.227 3.128 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.009 12.868 4.766 1.00 0.00 H new ATOM 529 N ASN A 35 -2.917 4.030 3.226 1.00 0.00 N ATOM 530 CA ASN A 35 -2.167 2.859 2.784 1.00 0.00 C ATOM 531 C ASN A 35 -0.788 3.259 2.270 1.00 0.00 C ATOM 532 O ASN A 35 -0.666 4.101 1.379 1.00 0.00 O ATOM 533 CB ASN A 35 -2.937 2.118 1.690 1.00 0.00 C ATOM 534 CG ASN A 35 -4.408 1.961 2.022 1.00 0.00 C ATOM 535 OD1 ASN A 35 -5.143 2.945 2.115 1.00 0.00 O ATOM 536 ND2 ASN A 35 -4.845 0.720 2.203 1.00 0.00 N ATOM 0 H ASN A 35 -3.669 4.311 2.597 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.038 2.196 3.640 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.836 2.658 0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.494 1.133 1.541 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.825 0.552 2.429 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.200 -0.066 2.116 1.00 0.00 H new ATOM 543 N ILE A 36 0.248 2.650 2.836 1.00 0.00 N ATOM 544 CA ILE A 36 1.619 2.941 2.434 1.00 0.00 C ATOM 545 C ILE A 36 1.765 2.908 0.916 1.00 0.00 C ATOM 546 O ILE A 36 1.405 1.926 0.269 1.00 0.00 O ATOM 547 CB ILE A 36 2.613 1.942 3.056 1.00 0.00 C ATOM 548 CG1 ILE A 36 2.100 0.510 2.890 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.837 2.264 4.526 1.00 0.00 C ATOM 550 CD1 ILE A 36 2.632 -0.183 1.655 1.00 0.00 C ATOM 0 H ILE A 36 0.164 1.952 3.575 1.00 0.00 H new ATOM 0 HA ILE A 36 1.849 3.943 2.798 1.00 0.00 H new ATOM 0 HB ILE A 36 3.567 2.029 2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.376 -0.071 3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.011 0.525 2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.542 1.550 4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.241 3.272 4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.889 2.201 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.227 -1.193 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.333 0.375 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.720 -0.230 1.705 1.00 0.00 H new ATOM 562 N ALA A 37 2.297 3.989 0.355 1.00 0.00 N ATOM 563 CA ALA A 37 2.495 4.083 -1.086 1.00 0.00 C ATOM 564 C ALA A 37 3.892 4.597 -1.416 1.00 0.00 C ATOM 565 O ALA A 37 4.174 4.965 -2.557 1.00 0.00 O ATOM 566 CB ALA A 37 1.438 4.984 -1.706 1.00 0.00 C ATOM 0 H ALA A 37 2.599 4.812 0.877 1.00 0.00 H new ATOM 0 HA ALA A 37 2.396 3.083 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.598 5.045 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.448 4.572 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.509 5.981 -1.271 1.00 0.00 H new ATOM 572 N ILE A 38 4.761 4.620 -0.412 1.00 0.00 N ATOM 573 CA ILE A 38 6.129 5.089 -0.597 1.00 0.00 C ATOM 574 C ILE A 38 7.106 4.286 0.255 1.00 0.00 C ATOM 575 O ILE A 38 6.756 3.805 1.333 1.00 0.00 O ATOM 576 CB ILE A 38 6.265 6.582 -0.244 1.00 0.00 C ATOM 577 CG1 ILE A 38 5.443 7.435 -1.213 1.00 0.00 C ATOM 578 CG2 ILE A 38 7.727 7.002 -0.269 1.00 0.00 C ATOM 579 CD1 ILE A 38 6.006 7.465 -2.617 1.00 0.00 C ATOM 0 H ILE A 38 4.543 4.320 0.538 1.00 0.00 H new ATOM 0 HA ILE A 38 6.370 4.950 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 38 5.880 6.738 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.423 7.051 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.388 8.454 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.806 8.060 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.287 6.413 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.137 6.834 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.373 8.088 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.015 7.877 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.036 6.452 -3.019 1.00 0.00 H new ATOM 591 N VAL A 39 8.334 4.146 -0.235 1.00 0.00 N ATOM 592 CA VAL A 39 9.363 3.404 0.482 1.00 0.00 C ATOM 593 C VAL A 39 10.524 4.311 0.873 1.00 0.00 C ATOM 594 O VAL A 39 10.565 5.482 0.494 1.00 0.00 O ATOM 595 CB VAL A 39 9.902 2.233 -0.362 1.00 0.00 C ATOM 596 CG1 VAL A 39 8.756 1.463 -1.000 1.00 0.00 C ATOM 597 CG2 VAL A 39 10.869 2.741 -1.420 1.00 0.00 C ATOM 0 H VAL A 39 8.640 4.537 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 39 8.896 3.008 1.384 1.00 0.00 H new ATOM 0 HB VAL A 39 10.443 1.552 0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.156 0.640 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.105 1.067 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.184 2.130 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.240 1.901 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.354 3.443 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 39 11.706 3.244 -0.936 1.00 0.00 H new ATOM 607 N PHE A 40 11.467 3.763 1.632 1.00 0.00 N ATOM 608 CA PHE A 40 12.630 4.524 2.074 1.00 0.00 C ATOM 609 C PHE A 40 13.894 4.047 1.364 1.00 0.00 C ATOM 610 O PHE A 40 13.994 2.888 0.962 1.00 0.00 O ATOM 611 CB PHE A 40 12.803 4.395 3.589 1.00 0.00 C ATOM 612 CG PHE A 40 11.795 5.182 4.377 1.00 0.00 C ATOM 613 CD1 PHE A 40 11.498 6.491 4.034 1.00 0.00 C ATOM 614 CD2 PHE A 40 11.144 4.612 5.459 1.00 0.00 C ATOM 615 CE1 PHE A 40 10.571 7.218 4.758 1.00 0.00 C ATOM 616 CE2 PHE A 40 10.216 5.334 6.186 1.00 0.00 C ATOM 617 CZ PHE A 40 9.928 6.638 5.834 1.00 0.00 C ATOM 0 H PHE A 40 11.449 2.795 1.954 1.00 0.00 H new ATOM 0 HA PHE A 40 12.466 5.572 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 40 12.729 3.344 3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 40 13.805 4.727 3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.996 6.949 3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.364 3.592 5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.350 8.239 4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.717 4.879 7.028 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.201 7.203 6.399 1.00 0.00 H new ATOM 627 N VAL A 41 14.857 4.951 1.213 1.00 0.00 N ATOM 628 CA VAL A 41 16.115 4.624 0.552 1.00 0.00 C ATOM 629 C VAL A 41 17.308 5.025 1.413 1.00 0.00 C ATOM 630 O VAL A 41 17.325 6.086 2.038 1.00 0.00 O ATOM 631 CB VAL A 41 16.226 5.320 -0.817 1.00 0.00 C ATOM 632 CG1 VAL A 41 17.592 5.065 -1.436 1.00 0.00 C ATOM 633 CG2 VAL A 41 15.116 4.850 -1.745 1.00 0.00 C ATOM 0 H VAL A 41 14.790 5.915 1.539 1.00 0.00 H new ATOM 0 HA VAL A 41 16.125 3.544 0.404 1.00 0.00 H new ATOM 0 HB VAL A 41 16.115 6.394 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.652 5.564 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.368 5.454 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 41 17.736 3.993 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.210 5.352 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.194 3.772 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.148 5.088 -1.304 1.00 0.00 H new ATOM 643 N PRO A 42 18.331 4.159 1.446 1.00 0.00 N ATOM 644 CA PRO A 42 18.322 2.894 0.706 1.00 0.00 C ATOM 645 C PRO A 42 17.327 1.892 1.283 1.00 0.00 C ATOM 646 O PRO A 42 16.516 1.317 0.555 1.00 0.00 O ATOM 647 CB PRO A 42 19.754 2.378 0.866 1.00 0.00 C ATOM 648 CG PRO A 42 20.242 3.002 2.128 1.00 0.00 C ATOM 649 CD PRO A 42 19.576 4.348 2.209 1.00 0.00 C ATOM 0 HA PRO A 42 18.018 3.031 -0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.778 1.290 0.927 1.00 0.00 H new ATOM 0 HB3 PRO A 42 20.375 2.664 0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 42 19.986 2.388 2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 42 21.327 3.103 2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 42 19.375 4.635 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 42 20.198 5.131 1.775 1.00 0.00 H new ATOM 657 N CYS A 43 17.393 1.688 2.594 1.00 0.00 N ATOM 658 CA CYS A 43 16.499 0.755 3.269 1.00 0.00 C ATOM 659 C CYS A 43 15.047 1.011 2.874 1.00 0.00 C ATOM 660 O CYS A 43 14.490 2.068 3.167 1.00 0.00 O ATOM 661 CB CYS A 43 16.654 0.876 4.787 1.00 0.00 C ATOM 662 SG CYS A 43 15.979 2.417 5.483 1.00 0.00 S ATOM 0 H CYS A 43 18.057 2.157 3.211 1.00 0.00 H new ATOM 0 HA CYS A 43 16.769 -0.255 2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 43 16.159 0.028 5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 43 17.712 0.809 5.040 1.00 0.00 H new ATOM 667 N GLY A 44 14.441 0.034 2.206 1.00 0.00 N ATOM 668 CA GLY A 44 13.060 0.172 1.781 1.00 0.00 C ATOM 669 C GLY A 44 12.088 -0.466 2.753 1.00 0.00 C ATOM 670 O GLY A 44 11.959 -1.690 2.800 1.00 0.00 O ATOM 0 H GLY A 44 14.881 -0.850 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.820 1.230 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.938 -0.284 0.798 1.00 0.00 H new ATOM 674 N HIS A 45 11.403 0.364 3.533 1.00 0.00 N ATOM 675 CA HIS A 45 10.438 -0.127 4.510 1.00 0.00 C ATOM 676 C HIS A 45 9.054 0.459 4.249 1.00 0.00 C ATOM 677 O HIS A 45 8.839 1.663 4.399 1.00 0.00 O ATOM 678 CB HIS A 45 10.892 0.223 5.928 1.00 0.00 C ATOM 679 CG HIS A 45 12.105 -0.535 6.372 1.00 0.00 C ATOM 680 ND1 HIS A 45 13.376 -0.001 6.351 1.00 0.00 N ATOM 681 CD2 HIS A 45 12.235 -1.794 6.852 1.00 0.00 C ATOM 682 CE1 HIS A 45 14.236 -0.899 6.798 1.00 0.00 C ATOM 683 NE2 HIS A 45 13.569 -1.996 7.109 1.00 0.00 N ATOM 0 H HIS A 45 11.498 1.379 3.508 1.00 0.00 H new ATOM 0 HA HIS A 45 10.379 -1.211 4.412 1.00 0.00 H new ATOM 0 HB2 HIS A 45 11.102 1.291 5.980 1.00 0.00 H new ATOM 0 HB3 HIS A 45 10.075 0.024 6.622 1.00 0.00 H new ATOM 0 HD2 HIS A 45 11.438 -2.507 7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 45 15.303 -0.760 6.893 1.00 0.00 H new ATOM 0 HE2 HIS A 45 13.978 -2.854 7.480 1.00 0.00 H new ATOM 691 N LEU A 46 8.118 -0.398 3.855 1.00 0.00 N ATOM 692 CA LEU A 46 6.754 0.034 3.571 1.00 0.00 C ATOM 693 C LEU A 46 5.979 0.272 4.862 1.00 0.00 C ATOM 694 O LEU A 46 4.838 -0.170 5.005 1.00 0.00 O ATOM 695 CB LEU A 46 6.035 -1.010 2.715 1.00 0.00 C ATOM 696 CG LEU A 46 6.867 -1.660 1.609 1.00 0.00 C ATOM 697 CD1 LEU A 46 7.755 -0.627 0.932 1.00 0.00 C ATOM 698 CD2 LEU A 46 7.704 -2.799 2.171 1.00 0.00 C ATOM 0 H LEU A 46 8.279 -1.397 3.725 1.00 0.00 H new ATOM 0 HA LEU A 46 6.804 0.974 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.664 -1.796 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.165 -0.539 2.258 1.00 0.00 H new ATOM 0 HG LEU A 46 6.187 -2.070 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.340 -1.108 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.135 0.155 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.428 -0.187 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.290 -3.250 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.375 -2.413 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.048 -3.551 2.608 1.00 0.00 H new ATOM 710 N VAL A 47 6.604 0.975 5.801 1.00 0.00 N ATOM 711 CA VAL A 47 5.971 1.275 7.080 1.00 0.00 C ATOM 712 C VAL A 47 5.645 2.760 7.198 1.00 0.00 C ATOM 713 O VAL A 47 5.520 3.295 8.300 1.00 0.00 O ATOM 714 CB VAL A 47 6.870 0.863 8.261 1.00 0.00 C ATOM 715 CG1 VAL A 47 7.169 -0.627 8.210 1.00 0.00 C ATOM 716 CG2 VAL A 47 8.156 1.675 8.260 1.00 0.00 C ATOM 0 H VAL A 47 7.548 1.348 5.700 1.00 0.00 H new ATOM 0 HA VAL A 47 5.046 0.699 7.118 1.00 0.00 H new ATOM 0 HB VAL A 47 6.338 1.070 9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.805 -0.899 9.052 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.236 -1.187 8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.681 -0.864 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.779 1.371 9.101 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.695 1.502 7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.917 2.735 8.350 1.00 0.00 H new ATOM 726 N THR A 48 5.509 3.423 6.053 1.00 0.00 N ATOM 727 CA THR A 48 5.199 4.846 6.026 1.00 0.00 C ATOM 728 C THR A 48 4.449 5.222 4.754 1.00 0.00 C ATOM 729 O THR A 48 4.766 4.736 3.668 1.00 0.00 O ATOM 730 CB THR A 48 6.476 5.702 6.128 1.00 0.00 C ATOM 731 OG1 THR A 48 7.521 5.117 5.343 1.00 0.00 O ATOM 732 CG2 THR A 48 6.930 5.827 7.574 1.00 0.00 C ATOM 0 H THR A 48 5.609 2.996 5.132 1.00 0.00 H new ATOM 0 HA THR A 48 4.566 5.047 6.890 1.00 0.00 H new ATOM 0 HB THR A 48 6.251 6.698 5.748 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.381 5.245 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.833 6.436 7.620 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.144 6.299 8.163 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.139 4.836 7.977 1.00 0.00 H new ATOM 740 N CYS A 49 3.452 6.090 4.894 1.00 0.00 N ATOM 741 CA CYS A 49 2.656 6.532 3.755 1.00 0.00 C ATOM 742 C CYS A 49 3.245 7.797 3.138 1.00 0.00 C ATOM 743 O CYS A 49 4.037 8.498 3.768 1.00 0.00 O ATOM 744 CB CYS A 49 1.210 6.785 4.185 1.00 0.00 C ATOM 745 SG CYS A 49 1.038 7.990 5.540 1.00 0.00 S ATOM 0 H CYS A 49 3.176 6.501 5.786 1.00 0.00 H new ATOM 0 HA CYS A 49 2.671 5.742 3.004 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.643 7.139 3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.763 5.840 4.494 1.00 0.00 H new ATOM 750 N LYS A 50 2.852 8.084 1.902 1.00 0.00 N ATOM 751 CA LYS A 50 3.338 9.265 1.198 1.00 0.00 C ATOM 752 C LYS A 50 3.510 10.438 2.159 1.00 0.00 C ATOM 753 O LYS A 50 4.536 11.117 2.145 1.00 0.00 O ATOM 754 CB LYS A 50 2.371 9.649 0.076 1.00 0.00 C ATOM 755 CG LYS A 50 2.429 8.716 -1.122 1.00 0.00 C ATOM 756 CD LYS A 50 1.225 8.900 -2.031 1.00 0.00 C ATOM 757 CE LYS A 50 1.439 10.041 -3.014 1.00 0.00 C ATOM 758 NZ LYS A 50 0.965 11.342 -2.467 1.00 0.00 N ATOM 0 H LYS A 50 2.197 7.514 1.366 1.00 0.00 H new ATOM 0 HA LYS A 50 4.310 9.026 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.355 9.658 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.594 10.664 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.343 8.902 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.472 7.683 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.037 7.977 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.339 9.099 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.498 10.115 -3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.911 9.824 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.539 11.905 -3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.255 11.169 -1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.769 11.862 -2.061 1.00 0.00 H new ATOM 772 N GLN A 51 2.500 10.668 2.991 1.00 0.00 N ATOM 773 CA GLN A 51 2.541 11.758 3.959 1.00 0.00 C ATOM 774 C GLN A 51 3.686 11.565 4.948 1.00 0.00 C ATOM 775 O GLN A 51 4.606 12.381 5.015 1.00 0.00 O ATOM 776 CB GLN A 51 1.212 11.851 4.710 1.00 0.00 C ATOM 777 CG GLN A 51 0.168 12.697 3.998 1.00 0.00 C ATOM 778 CD GLN A 51 -0.304 12.071 2.701 1.00 0.00 C ATOM 779 OE1 GLN A 51 0.480 11.871 1.773 1.00 0.00 O ATOM 780 NE2 GLN A 51 -1.593 11.757 2.630 1.00 0.00 N ATOM 0 H GLN A 51 1.643 10.115 3.015 1.00 0.00 H new ATOM 0 HA GLN A 51 2.708 12.688 3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.815 10.846 4.856 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.392 12.269 5.700 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.687 12.844 4.658 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.584 13.683 3.791 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.207 11.940 3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.969 11.332 1.782 1.00 0.00 H new ATOM 789 N CYS A 52 3.622 10.482 5.714 1.00 0.00 N ATOM 790 CA CYS A 52 4.653 10.181 6.701 1.00 0.00 C ATOM 791 C CYS A 52 6.032 10.133 6.050 1.00 0.00 C ATOM 792 O CYS A 52 6.909 10.936 6.369 1.00 0.00 O ATOM 793 CB CYS A 52 4.355 8.848 7.390 1.00 0.00 C ATOM 794 SG CYS A 52 2.892 8.882 8.475 1.00 0.00 S ATOM 0 H CYS A 52 2.867 9.797 5.671 1.00 0.00 H new ATOM 0 HA CYS A 52 4.650 10.976 7.447 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.211 8.082 6.628 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.224 8.553 7.979 1.00 0.00 H new ATOM 799 N ALA A 53 6.216 9.187 5.136 1.00 0.00 N ATOM 800 CA ALA A 53 7.487 9.035 4.438 1.00 0.00 C ATOM 801 C ALA A 53 8.109 10.393 4.129 1.00 0.00 C ATOM 802 O ALA A 53 9.302 10.602 4.346 1.00 0.00 O ATOM 803 CB ALA A 53 7.293 8.238 3.157 1.00 0.00 C ATOM 0 H ALA A 53 5.501 8.514 4.861 1.00 0.00 H new ATOM 0 HA ALA A 53 8.170 8.492 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.250 8.132 2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.900 7.251 3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.590 8.759 2.507 1.00 0.00 H new ATOM 809 N GLU A 54 7.293 11.311 3.622 1.00 0.00 N ATOM 810 CA GLU A 54 7.765 12.648 3.282 1.00 0.00 C ATOM 811 C GLU A 54 8.040 13.465 4.542 1.00 0.00 C ATOM 812 O GLU A 54 8.999 14.233 4.599 1.00 0.00 O ATOM 813 CB GLU A 54 6.737 13.370 2.408 1.00 0.00 C ATOM 814 CG GLU A 54 6.611 12.787 1.011 1.00 0.00 C ATOM 815 CD GLU A 54 5.540 13.475 0.186 1.00 0.00 C ATOM 816 OE1 GLU A 54 5.828 14.551 -0.380 1.00 0.00 O ATOM 817 OE2 GLU A 54 4.415 12.940 0.107 1.00 0.00 O ATOM 0 H GLU A 54 6.302 11.154 3.438 1.00 0.00 H new ATOM 0 HA GLU A 54 8.696 12.545 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.764 13.331 2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.013 14.422 2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.569 12.871 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.381 11.724 1.084 1.00 0.00 H new ATOM 824 N ALA A 55 7.190 13.292 5.549 1.00 0.00 N ATOM 825 CA ALA A 55 7.341 14.010 6.808 1.00 0.00 C ATOM 826 C ALA A 55 8.675 13.682 7.471 1.00 0.00 C ATOM 827 O ALA A 55 9.395 14.576 7.915 1.00 0.00 O ATOM 828 CB ALA A 55 6.189 13.681 7.745 1.00 0.00 C ATOM 0 H ALA A 55 6.390 12.661 5.517 1.00 0.00 H new ATOM 0 HA ALA A 55 7.325 15.078 6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.315 14.224 8.681 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.247 13.973 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.178 12.610 7.946 1.00 0.00 H new ATOM 834 N VAL A 56 8.997 12.394 7.535 1.00 0.00 N ATOM 835 CA VAL A 56 10.245 11.948 8.144 1.00 0.00 C ATOM 836 C VAL A 56 11.406 12.060 7.162 1.00 0.00 C ATOM 837 O VAL A 56 11.372 11.481 6.076 1.00 0.00 O ATOM 838 CB VAL A 56 10.140 10.491 8.634 1.00 0.00 C ATOM 839 CG1 VAL A 56 9.070 10.365 9.707 1.00 0.00 C ATOM 840 CG2 VAL A 56 9.853 9.556 7.469 1.00 0.00 C ATOM 0 H VAL A 56 8.412 11.641 7.173 1.00 0.00 H new ATOM 0 HA VAL A 56 10.432 12.599 8.998 1.00 0.00 H new ATOM 0 HB VAL A 56 11.096 10.203 9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.010 9.329 10.041 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.325 11.005 10.552 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.107 10.671 9.298 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.782 8.531 7.834 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.912 9.840 6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.659 9.626 6.739 1.00 0.00 H new ATOM 850 N ASP A 57 12.432 12.808 7.551 1.00 0.00 N ATOM 851 CA ASP A 57 13.606 12.995 6.706 1.00 0.00 C ATOM 852 C ASP A 57 14.428 11.713 6.626 1.00 0.00 C ATOM 853 O ASP A 57 15.082 11.444 5.618 1.00 0.00 O ATOM 854 CB ASP A 57 14.470 14.137 7.244 1.00 0.00 C ATOM 855 CG ASP A 57 13.660 15.381 7.552 1.00 0.00 C ATOM 856 OD1 ASP A 57 13.083 15.453 8.657 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.603 16.281 6.688 1.00 0.00 O ATOM 0 H ASP A 57 12.475 13.295 8.446 1.00 0.00 H new ATOM 0 HA ASP A 57 13.265 13.249 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.981 13.807 8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.241 14.381 6.513 1.00 0.00 H new ATOM 862 N LYS A 58 14.390 10.924 7.695 1.00 0.00 N ATOM 863 CA LYS A 58 15.131 9.669 7.746 1.00 0.00 C ATOM 864 C LYS A 58 14.256 8.543 8.289 1.00 0.00 C ATOM 865 O LYS A 58 13.450 8.752 9.195 1.00 0.00 O ATOM 866 CB LYS A 58 16.379 9.825 8.619 1.00 0.00 C ATOM 867 CG LYS A 58 16.076 10.271 10.039 1.00 0.00 C ATOM 868 CD LYS A 58 17.308 10.183 10.925 1.00 0.00 C ATOM 869 CE LYS A 58 18.185 11.418 10.783 1.00 0.00 C ATOM 870 NZ LYS A 58 19.413 11.324 11.621 1.00 0.00 N ATOM 0 H LYS A 58 13.854 11.132 8.538 1.00 0.00 H new ATOM 0 HA LYS A 58 15.434 9.413 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.911 8.874 8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.049 10.549 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.707 11.296 10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.282 9.650 10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.002 10.070 11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.883 9.295 10.663 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.467 11.545 9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.616 12.303 11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.985 12.184 11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.144 11.228 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.969 10.494 11.331 1.00 0.00 H new ATOM 884 N CYS A 59 14.422 7.349 7.729 1.00 0.00 N ATOM 885 CA CYS A 59 13.649 6.190 8.156 1.00 0.00 C ATOM 886 C CYS A 59 13.383 6.237 9.658 1.00 0.00 C ATOM 887 O CYS A 59 14.300 6.190 10.478 1.00 0.00 O ATOM 888 CB CYS A 59 14.387 4.898 7.798 1.00 0.00 C ATOM 889 SG CYS A 59 13.350 3.403 7.879 1.00 0.00 S ATOM 0 H CYS A 59 15.086 7.160 6.978 1.00 0.00 H new ATOM 0 HA CYS A 59 12.692 6.211 7.634 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.793 4.991 6.791 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.234 4.777 8.473 1.00 0.00 H new ATOM 894 N PRO A 60 12.097 6.332 10.029 1.00 0.00 N ATOM 895 CA PRO A 60 11.680 6.386 11.433 1.00 0.00 C ATOM 896 C PRO A 60 11.891 5.059 12.153 1.00 0.00 C ATOM 897 O PRO A 60 11.525 4.909 13.318 1.00 0.00 O ATOM 898 CB PRO A 60 10.188 6.716 11.347 1.00 0.00 C ATOM 899 CG PRO A 60 9.765 6.212 10.011 1.00 0.00 C ATOM 900 CD PRO A 60 10.952 6.392 9.105 1.00 0.00 C ATOM 0 HA PRO A 60 12.260 7.113 12.002 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.629 6.232 12.148 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.014 7.788 11.439 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.471 5.164 10.065 1.00 0.00 H new ATOM 0 HG3 PRO A 60 8.903 6.767 9.640 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.004 5.608 8.349 1.00 0.00 H new ATOM 0 HD3 PRO A 60 10.913 7.344 8.575 1.00 0.00 H new ATOM 908 N MET A 61 12.485 4.099 11.451 1.00 0.00 N ATOM 909 CA MET A 61 12.746 2.784 12.025 1.00 0.00 C ATOM 910 C MET A 61 14.233 2.447 11.957 1.00 0.00 C ATOM 911 O MET A 61 14.759 1.739 12.816 1.00 0.00 O ATOM 912 CB MET A 61 11.935 1.714 11.293 1.00 0.00 C ATOM 913 CG MET A 61 10.432 1.925 11.380 1.00 0.00 C ATOM 914 SD MET A 61 9.695 1.098 12.803 1.00 0.00 S ATOM 915 CE MET A 61 9.601 -0.587 12.204 1.00 0.00 C ATOM 0 H MET A 61 12.794 4.207 10.485 1.00 0.00 H new ATOM 0 HA MET A 61 12.443 2.805 13.072 1.00 0.00 H new ATOM 0 HB2 MET A 61 12.231 1.699 10.244 1.00 0.00 H new ATOM 0 HB3 MET A 61 12.181 0.736 11.708 1.00 0.00 H new ATOM 0 HG2 MET A 61 10.222 2.993 11.436 1.00 0.00 H new ATOM 0 HG3 MET A 61 9.964 1.556 10.468 1.00 0.00 H new ATOM 0 HE1 MET A 61 9.148 -1.220 12.967 1.00 0.00 H new ATOM 0 HE2 MET A 61 8.993 -0.618 11.300 1.00 0.00 H new ATOM 0 HE3 MET A 61 10.604 -0.950 11.980 1.00 0.00 H new ATOM 925 N CYS A 62 14.904 2.958 10.931 1.00 0.00 N ATOM 926 CA CYS A 62 16.330 2.710 10.750 1.00 0.00 C ATOM 927 C CYS A 62 17.123 4.011 10.838 1.00 0.00 C ATOM 928 O CYS A 62 18.341 4.020 10.662 1.00 0.00 O ATOM 929 CB CYS A 62 16.584 2.035 9.401 1.00 0.00 C ATOM 930 SG CYS A 62 15.416 0.693 9.008 1.00 0.00 S ATOM 0 H CYS A 62 14.484 3.547 10.212 1.00 0.00 H new ATOM 0 HA CYS A 62 16.663 2.047 11.549 1.00 0.00 H new ATOM 0 HB2 CYS A 62 16.533 2.788 8.615 1.00 0.00 H new ATOM 0 HB3 CYS A 62 17.597 1.634 9.393 1.00 0.00 H new ATOM 935 N TYR A 63 16.423 5.106 11.112 1.00 0.00 N ATOM 936 CA TYR A 63 17.061 6.413 11.222 1.00 0.00 C ATOM 937 C TYR A 63 18.036 6.641 10.071 1.00 0.00 C ATOM 938 O TYR A 63 18.995 7.404 10.195 1.00 0.00 O ATOM 939 CB TYR A 63 17.794 6.535 12.558 1.00 0.00 C ATOM 940 CG TYR A 63 16.875 6.785 13.733 1.00 0.00 C ATOM 941 CD1 TYR A 63 15.726 6.026 13.915 1.00 0.00 C ATOM 942 CD2 TYR A 63 17.156 7.780 14.661 1.00 0.00 C ATOM 943 CE1 TYR A 63 14.883 6.251 14.986 1.00 0.00 C ATOM 944 CE2 TYR A 63 16.320 8.012 15.736 1.00 0.00 C ATOM 945 CZ TYR A 63 15.184 7.245 15.893 1.00 0.00 C ATOM 946 OH TYR A 63 14.348 7.472 16.962 1.00 0.00 O ATOM 0 H TYR A 63 15.414 5.115 11.262 1.00 0.00 H new ATOM 0 HA TYR A 63 16.283 7.175 11.172 1.00 0.00 H new ATOM 0 HB2 TYR A 63 18.359 5.620 12.738 1.00 0.00 H new ATOM 0 HB3 TYR A 63 18.517 7.348 12.493 1.00 0.00 H new ATOM 0 HD1 TYR A 63 15.488 5.246 13.207 1.00 0.00 H new ATOM 0 HD2 TYR A 63 18.044 8.383 14.540 1.00 0.00 H new ATOM 0 HE1 TYR A 63 13.993 5.652 15.112 1.00 0.00 H new ATOM 0 HE2 TYR A 63 16.554 8.789 16.449 1.00 0.00 H new ATOM 0 HH TYR A 63 14.704 8.205 17.506 1.00 0.00 H new ATOM 956 N THR A 64 17.784 5.975 8.949 1.00 0.00 N ATOM 957 CA THR A 64 18.638 6.103 7.775 1.00 0.00 C ATOM 958 C THR A 64 18.171 7.243 6.877 1.00 0.00 C ATOM 959 O THR A 64 17.086 7.185 6.297 1.00 0.00 O ATOM 960 CB THR A 64 18.668 4.798 6.956 1.00 0.00 C ATOM 961 OG1 THR A 64 19.341 3.772 7.694 1.00 0.00 O ATOM 962 CG2 THR A 64 19.367 5.013 5.622 1.00 0.00 C ATOM 0 H THR A 64 16.994 5.341 8.828 1.00 0.00 H new ATOM 0 HA THR A 64 19.643 6.318 8.138 1.00 0.00 H new ATOM 0 HB THR A 64 17.640 4.491 6.764 1.00 0.00 H new ATOM 0 HG1 THR A 64 19.063 3.808 8.633 1.00 0.00 H new ATOM 0 HG21 THR A 64 19.376 4.078 5.061 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.835 5.774 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 64 20.392 5.341 5.797 1.00 0.00 H new ATOM 970 N VAL A 65 18.997 8.278 6.765 1.00 0.00 N ATOM 971 CA VAL A 65 18.668 9.431 5.935 1.00 0.00 C ATOM 972 C VAL A 65 17.967 9.003 4.651 1.00 0.00 C ATOM 973 O VAL A 65 18.399 8.066 3.979 1.00 0.00 O ATOM 974 CB VAL A 65 19.929 10.240 5.573 1.00 0.00 C ATOM 975 CG1 VAL A 65 19.577 11.389 4.642 1.00 0.00 C ATOM 976 CG2 VAL A 65 20.612 10.752 6.832 1.00 0.00 C ATOM 0 H VAL A 65 19.898 8.342 7.238 1.00 0.00 H new ATOM 0 HA VAL A 65 17.996 10.060 6.520 1.00 0.00 H new ATOM 0 HB VAL A 65 20.625 9.583 5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 65 20.480 11.949 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.136 10.994 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.862 12.049 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 65 21.500 11.321 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.925 11.394 7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 65 20.901 9.908 7.458 1.00 0.00 H new ATOM 986 N ILE A 66 16.883 9.694 4.317 1.00 0.00 N ATOM 987 CA ILE A 66 16.122 9.386 3.112 1.00 0.00 C ATOM 988 C ILE A 66 16.426 10.384 2.000 1.00 0.00 C ATOM 989 O ILE A 66 15.952 11.520 2.023 1.00 0.00 O ATOM 990 CB ILE A 66 14.607 9.387 3.387 1.00 0.00 C ATOM 991 CG1 ILE A 66 14.261 8.354 4.462 1.00 0.00 C ATOM 992 CG2 ILE A 66 13.836 9.105 2.107 1.00 0.00 C ATOM 993 CD1 ILE A 66 13.057 8.730 5.297 1.00 0.00 C ATOM 0 H ILE A 66 16.512 10.471 4.864 1.00 0.00 H new ATOM 0 HA ILE A 66 16.424 8.388 2.794 1.00 0.00 H new ATOM 0 HB ILE A 66 14.320 10.373 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.075 7.392 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 66 15.121 8.223 5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.767 9.109 2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 66 14.063 9.874 1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 66 14.125 8.130 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.871 7.952 6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 66 13.247 9.676 5.804 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.185 8.833 4.652 1.00 0.00 H new ATOM 1005 N THR A 67 17.218 9.951 1.024 1.00 0.00 N ATOM 1006 CA THR A 67 17.585 10.805 -0.098 1.00 0.00 C ATOM 1007 C THR A 67 16.878 10.368 -1.376 1.00 0.00 C ATOM 1008 O THR A 67 17.333 10.663 -2.481 1.00 0.00 O ATOM 1009 CB THR A 67 19.107 10.795 -0.338 1.00 0.00 C ATOM 1010 OG1 THR A 67 19.440 11.685 -1.409 1.00 0.00 O ATOM 1011 CG2 THR A 67 19.593 9.392 -0.668 1.00 0.00 C ATOM 0 H THR A 67 17.618 9.013 0.988 1.00 0.00 H new ATOM 0 HA THR A 67 17.272 11.817 0.160 1.00 0.00 H new ATOM 0 HB THR A 67 19.599 11.127 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.918 11.450 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.670 9.410 -0.833 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.364 8.723 0.162 1.00 0.00 H new ATOM 0 HG23 THR A 67 19.093 9.036 -1.569 1.00 0.00 H new ATOM 1019 N PHE A 68 15.762 9.665 -1.218 1.00 0.00 N ATOM 1020 CA PHE A 68 14.991 9.187 -2.360 1.00 0.00 C ATOM 1021 C PHE A 68 13.584 8.779 -1.934 1.00 0.00 C ATOM 1022 O PHE A 68 13.379 8.267 -0.833 1.00 0.00 O ATOM 1023 CB PHE A 68 15.700 8.002 -3.021 1.00 0.00 C ATOM 1024 CG PHE A 68 15.284 7.774 -4.446 1.00 0.00 C ATOM 1025 CD1 PHE A 68 15.895 8.465 -5.479 1.00 0.00 C ATOM 1026 CD2 PHE A 68 14.282 6.867 -4.752 1.00 0.00 C ATOM 1027 CE1 PHE A 68 15.513 8.257 -6.791 1.00 0.00 C ATOM 1028 CE2 PHE A 68 13.896 6.654 -6.062 1.00 0.00 C ATOM 1029 CZ PHE A 68 14.513 7.350 -7.083 1.00 0.00 C ATOM 0 H PHE A 68 15.371 9.413 -0.310 1.00 0.00 H new ATOM 0 HA PHE A 68 14.912 10.002 -3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 68 16.777 8.168 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 68 15.499 7.100 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 68 16.679 9.174 -5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.797 6.320 -3.957 1.00 0.00 H new ATOM 0 HE1 PHE A 68 15.996 8.803 -7.587 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.113 5.945 -6.287 1.00 0.00 H new ATOM 0 HZ PHE A 68 14.214 7.185 -8.108 1.00 0.00 H new ATOM 1039 N LYS A 69 12.616 9.009 -2.815 1.00 0.00 N ATOM 1040 CA LYS A 69 11.227 8.666 -2.533 1.00 0.00 C ATOM 1041 C LYS A 69 10.618 7.872 -3.684 1.00 0.00 C ATOM 1042 O LYS A 69 10.096 8.447 -4.638 1.00 0.00 O ATOM 1043 CB LYS A 69 10.407 9.934 -2.284 1.00 0.00 C ATOM 1044 CG LYS A 69 10.398 10.378 -0.832 1.00 0.00 C ATOM 1045 CD LYS A 69 11.658 11.148 -0.476 1.00 0.00 C ATOM 1046 CE LYS A 69 11.511 11.874 0.853 1.00 0.00 C ATOM 1047 NZ LYS A 69 10.649 13.082 0.732 1.00 0.00 N ATOM 0 H LYS A 69 12.768 9.432 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 69 11.207 8.046 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.805 10.741 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.381 9.762 -2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.524 11.003 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.309 9.506 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.503 10.461 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.880 11.869 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.084 11.196 1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.496 12.165 1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.884 13.753 1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.810 13.533 -0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.650 12.805 0.812 1.00 0.00 H new ATOM 1061 N GLN A 70 10.688 6.548 -3.586 1.00 0.00 N ATOM 1062 CA GLN A 70 10.143 5.676 -4.619 1.00 0.00 C ATOM 1063 C GLN A 70 8.705 5.283 -4.297 1.00 0.00 C ATOM 1064 O GLN A 70 8.309 5.237 -3.132 1.00 0.00 O ATOM 1065 CB GLN A 70 11.006 4.422 -4.766 1.00 0.00 C ATOM 1066 CG GLN A 70 11.008 3.846 -6.173 1.00 0.00 C ATOM 1067 CD GLN A 70 9.807 2.961 -6.443 1.00 0.00 C ATOM 1068 OE1 GLN A 70 9.097 3.145 -7.432 1.00 0.00 O ATOM 1069 NE2 GLN A 70 9.573 1.995 -5.563 1.00 0.00 N ATOM 0 H GLN A 70 11.117 6.056 -2.802 1.00 0.00 H new ATOM 0 HA GLN A 70 10.148 6.224 -5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.030 4.660 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.649 3.662 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.023 4.662 -6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.921 3.270 -6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.188 1.879 -4.757 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.778 1.369 -5.692 1.00 0.00 H new ATOM 1078 N LYS A 71 7.927 5.002 -5.337 1.00 0.00 N ATOM 1079 CA LYS A 71 6.532 4.612 -5.166 1.00 0.00 C ATOM 1080 C LYS A 71 6.382 3.094 -5.215 1.00 0.00 C ATOM 1081 O LYS A 71 7.172 2.404 -5.859 1.00 0.00 O ATOM 1082 CB LYS A 71 5.664 5.256 -6.249 1.00 0.00 C ATOM 1083 CG LYS A 71 4.178 5.221 -5.938 1.00 0.00 C ATOM 1084 CD LYS A 71 3.345 5.590 -7.154 1.00 0.00 C ATOM 1085 CE LYS A 71 3.305 7.096 -7.366 1.00 0.00 C ATOM 1086 NZ LYS A 71 2.075 7.521 -8.091 1.00 0.00 N ATOM 0 H LYS A 71 8.239 5.037 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 71 6.200 4.961 -4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.974 6.292 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.841 4.745 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.901 4.224 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.960 5.911 -5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.759 5.108 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.330 5.212 -7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.350 7.600 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.185 7.407 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.085 8.553 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.044 7.060 -9.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.236 7.247 -7.541 1.00 0.00 H new ATOM 1100 N ILE A 72 5.363 2.583 -4.533 1.00 0.00 N ATOM 1101 CA ILE A 72 5.108 1.148 -4.501 1.00 0.00 C ATOM 1102 C ILE A 72 3.798 0.807 -5.204 1.00 0.00 C ATOM 1103 O ILE A 72 3.114 1.687 -5.727 1.00 0.00 O ATOM 1104 CB ILE A 72 5.056 0.617 -3.057 1.00 0.00 C ATOM 1105 CG1 ILE A 72 3.934 1.306 -2.277 1.00 0.00 C ATOM 1106 CG2 ILE A 72 6.395 0.828 -2.366 1.00 0.00 C ATOM 1107 CD1 ILE A 72 2.623 0.552 -2.312 1.00 0.00 C ATOM 0 H ILE A 72 4.700 3.141 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 72 5.935 0.669 -5.025 1.00 0.00 H new ATOM 0 HB ILE A 72 4.849 -0.453 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.246 1.429 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.780 2.305 -2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.342 0.447 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.174 0.296 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.630 1.892 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.874 1.098 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.288 0.452 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.761 -0.438 -1.878 1.00 0.00 H new ATOM 1119 N PHE A 73 3.454 -0.477 -5.212 1.00 0.00 N ATOM 1120 CA PHE A 73 2.226 -0.935 -5.850 1.00 0.00 C ATOM 1121 C PHE A 73 1.788 -2.281 -5.281 1.00 0.00 C ATOM 1122 O PHE A 73 2.380 -3.317 -5.584 1.00 0.00 O ATOM 1123 CB PHE A 73 2.423 -1.047 -7.363 1.00 0.00 C ATOM 1124 CG PHE A 73 2.962 0.206 -7.992 1.00 0.00 C ATOM 1125 CD1 PHE A 73 2.130 1.287 -8.236 1.00 0.00 C ATOM 1126 CD2 PHE A 73 4.300 0.303 -8.338 1.00 0.00 C ATOM 1127 CE1 PHE A 73 2.624 2.441 -8.815 1.00 0.00 C ATOM 1128 CE2 PHE A 73 4.799 1.454 -8.917 1.00 0.00 C ATOM 1129 CZ PHE A 73 3.960 2.525 -9.155 1.00 0.00 C ATOM 0 H PHE A 73 4.009 -1.218 -4.784 1.00 0.00 H new ATOM 0 HA PHE A 73 1.445 -0.203 -5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.105 -1.871 -7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.469 -1.296 -7.828 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.085 1.227 -7.971 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.961 -0.531 -8.153 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.966 3.277 -9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.844 1.516 -9.183 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.348 3.426 -9.606 1.00 0.00 H new ATOM 1139 N MET A 74 0.746 -2.258 -4.456 1.00 0.00 N ATOM 1140 CA MET A 74 0.228 -3.477 -3.845 1.00 0.00 C ATOM 1141 C MET A 74 -1.240 -3.683 -4.205 1.00 0.00 C ATOM 1142 O MET A 74 -1.691 -4.814 -4.386 1.00 0.00 O ATOM 1143 CB MET A 74 0.389 -3.419 -2.325 1.00 0.00 C ATOM 1144 CG MET A 74 1.785 -3.016 -1.876 1.00 0.00 C ATOM 1145 SD MET A 74 3.060 -4.133 -2.489 1.00 0.00 S ATOM 1146 CE MET A 74 4.542 -3.285 -1.947 1.00 0.00 C ATOM 0 H MET A 74 0.244 -1.409 -4.195 1.00 0.00 H new ATOM 0 HA MET A 74 0.801 -4.320 -4.232 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.333 -2.711 -1.918 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.149 -4.396 -1.905 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.996 -2.004 -2.223 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.820 -2.994 -0.787 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.284 -3.302 -2.746 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.300 -2.252 -1.699 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.946 -3.785 -1.066 1.00 0.00 H new ATOM 1156 N SER A 75 -1.980 -2.584 -4.307 1.00 0.00 N ATOM 1157 CA SER A 75 -3.398 -2.646 -4.642 1.00 0.00 C ATOM 1158 C SER A 75 -3.601 -3.205 -6.046 1.00 0.00 C ATOM 1159 O SER A 75 -3.337 -2.501 -7.020 1.00 0.00 O ATOM 1160 CB SER A 75 -4.029 -1.256 -4.538 1.00 0.00 C ATOM 1161 OG SER A 75 -3.925 -0.745 -3.220 1.00 0.00 O ATOM 0 H SER A 75 -1.622 -1.640 -4.163 1.00 0.00 H new ATOM 0 HA SER A 75 -3.885 -3.313 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.537 -0.577 -5.234 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.078 -1.307 -4.830 1.00 0.00 H new ATOM 0 HG SER A 75 -4.334 0.145 -3.181 1.00 0.00 H new TER 1167 SER A 75 HETATM 1168 ZN ZN A 201 1.239 7.391 7.638 1.00 0.00 ZN HETATM 1169 ZN ZN A 401 14.364 1.641 7.070 1.00 0.00 ZN