USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 431 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 27 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 SER OG : rot 23:sc= 0.732 USER MOD Single : A 6 GLN : amide:sc= -0.0573 K(o=-0.057,f=-2.2!) USER MOD Single : A 7 GLN : amide:sc= -0.256 K(o=-0.26,f=-0.84) USER MOD Single : A 8 GLN : amide:sc= -0.939 K(o=-0.94,f=-0.29) USER MOD Single : A 13 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.2) USER MOD Single : A 26 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.053) USER MOD Single : A 37 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.24) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -45:sc= -0.126 USER MOD Single : A 65 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.048) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -129:sc= -2.15! (180deg=-6.16!) USER MOD Single : A 70 MET CE :methyl -174:sc= 0 (180deg=-0.0196) USER MOD Single : A 71 SER OG : rot 75:sc= 0.865 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.827 -10.688 12.523 1.00 0.00 N ATOM 2 CA GLN A 6 1.880 -9.592 12.693 1.00 0.00 C ATOM 3 C GLN A 6 2.588 -8.347 13.218 1.00 0.00 C ATOM 4 O GLN A 6 2.117 -7.226 13.023 1.00 0.00 O ATOM 5 CB GLN A 6 0.778 -10.005 13.672 1.00 0.00 C ATOM 6 CG GLN A 6 -0.170 -8.825 13.902 1.00 0.00 C ATOM 7 CD GLN A 6 -1.452 -9.310 14.570 1.00 0.00 C ATOM 8 OE1 GLN A 6 -1.744 -10.506 14.559 1.00 0.00 O ATOM 9 NE2 GLN A 6 -2.238 -8.448 15.153 1.00 0.00 N ATOM 0 HA GLN A 6 1.440 -9.362 11.723 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.226 -10.857 13.276 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.217 -10.322 14.618 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.314 -8.075 14.527 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.404 -8.345 12.952 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.993 -7.458 15.160 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.098 -8.764 15.602 1.00 0.00 H new ATOM 18 N GLN A 7 3.720 -8.551 13.882 1.00 0.00 N ATOM 19 CA GLN A 7 4.484 -7.438 14.429 1.00 0.00 C ATOM 20 C GLN A 7 4.688 -6.356 13.374 1.00 0.00 C ATOM 21 O GLN A 7 4.257 -5.217 13.547 1.00 0.00 O ATOM 22 CB GLN A 7 5.844 -7.934 14.923 1.00 0.00 C ATOM 23 CG GLN A 7 5.642 -8.879 16.109 1.00 0.00 C ATOM 24 CD GLN A 7 5.258 -8.081 17.351 1.00 0.00 C ATOM 25 OE1 GLN A 7 4.081 -7.790 17.562 1.00 0.00 O ATOM 26 NE2 GLN A 7 6.186 -7.709 18.189 1.00 0.00 N ATOM 0 H GLN A 7 4.126 -9.471 14.053 1.00 0.00 H new ATOM 0 HA GLN A 7 3.925 -7.013 15.263 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.369 -8.449 14.119 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.466 -7.089 15.219 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.863 -9.605 15.878 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.557 -9.442 16.296 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.161 -7.952 18.011 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.937 -7.175 19.022 1.00 0.00 H new ATOM 35 N GLN A 8 5.345 -6.719 12.279 1.00 0.00 N ATOM 36 CA GLN A 8 5.600 -5.768 11.203 1.00 0.00 C ATOM 37 C GLN A 8 4.313 -5.053 10.800 1.00 0.00 C ATOM 38 O GLN A 8 4.336 -3.878 10.434 1.00 0.00 O ATOM 39 CB GLN A 8 6.184 -6.499 9.991 1.00 0.00 C ATOM 40 CG GLN A 8 7.648 -6.851 10.261 1.00 0.00 C ATOM 41 CD GLN A 8 8.519 -5.607 10.120 1.00 0.00 C ATOM 42 OE1 GLN A 8 9.069 -5.351 9.049 1.00 0.00 O ATOM 43 NE2 GLN A 8 8.677 -4.813 11.144 1.00 0.00 N ATOM 0 H GLN A 8 5.709 -7.657 12.113 1.00 0.00 H new ATOM 0 HA GLN A 8 6.314 -5.026 11.560 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.613 -7.405 9.790 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.108 -5.871 9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.752 -7.266 11.264 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.981 -7.619 9.562 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.220 -5.027 12.031 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.257 -3.979 11.058 1.00 0.00 H new ATOM 52 N ALA A 9 3.196 -5.768 10.866 1.00 0.00 N ATOM 53 CA ALA A 9 1.907 -5.190 10.499 1.00 0.00 C ATOM 54 C ALA A 9 1.501 -4.100 11.487 1.00 0.00 C ATOM 55 O ALA A 9 1.434 -2.922 11.133 1.00 0.00 O ATOM 56 CB ALA A 9 0.834 -6.280 10.469 1.00 0.00 C ATOM 0 H ALA A 9 3.155 -6.742 11.168 1.00 0.00 H new ATOM 0 HA ALA A 9 2.002 -4.746 9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.124 -5.840 10.194 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.107 -7.040 9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.753 -6.738 11.455 1.00 0.00 H new ATOM 62 N VAL A 10 1.223 -4.499 12.725 1.00 0.00 N ATOM 63 CA VAL A 10 0.817 -3.545 13.751 1.00 0.00 C ATOM 64 C VAL A 10 1.888 -2.476 13.952 1.00 0.00 C ATOM 65 O VAL A 10 1.578 -1.291 14.066 1.00 0.00 O ATOM 66 CB VAL A 10 0.561 -4.271 15.072 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.828 -5.005 15.509 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.169 -3.252 16.144 1.00 0.00 C ATOM 0 H VAL A 10 1.271 -5.468 13.040 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.102 -3.060 13.421 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.246 -4.991 14.938 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.643 -5.522 16.451 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.109 -5.731 14.746 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.637 -4.287 15.642 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.014 -3.768 17.087 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.977 -2.532 16.275 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.736 -2.729 15.835 1.00 0.00 H new ATOM 78 N LEU A 11 3.148 -2.899 13.992 1.00 0.00 N ATOM 79 CA LEU A 11 4.248 -1.958 14.181 1.00 0.00 C ATOM 80 C LEU A 11 4.228 -0.891 13.091 1.00 0.00 C ATOM 81 O LEU A 11 4.129 0.301 13.380 1.00 0.00 O ATOM 82 CB LEU A 11 5.590 -2.696 14.149 1.00 0.00 C ATOM 83 CG LEU A 11 5.748 -3.557 15.411 1.00 0.00 C ATOM 84 CD1 LEU A 11 7.025 -4.393 15.291 1.00 0.00 C ATOM 85 CD2 LEU A 11 5.844 -2.657 16.653 1.00 0.00 C ATOM 0 H LEU A 11 3.431 -3.874 13.897 1.00 0.00 H new ATOM 0 HA LEU A 11 4.125 -1.479 15.152 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.647 -3.325 13.261 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.408 -1.978 14.084 1.00 0.00 H new ATOM 0 HG LEU A 11 4.882 -4.212 15.511 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.143 -5.007 16.184 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.957 -5.037 14.414 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.885 -3.731 15.189 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.956 -3.276 17.543 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.707 -1.998 16.559 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.937 -2.058 16.739 1.00 0.00 H new ATOM 97 N GLU A 12 4.322 -1.326 11.838 1.00 0.00 N ATOM 98 CA GLU A 12 4.313 -0.394 10.716 1.00 0.00 C ATOM 99 C GLU A 12 3.088 0.514 10.788 1.00 0.00 C ATOM 100 O GLU A 12 3.200 1.734 10.667 1.00 0.00 O ATOM 101 CB GLU A 12 4.302 -1.163 9.394 1.00 0.00 C ATOM 102 CG GLU A 12 5.668 -1.818 9.171 1.00 0.00 C ATOM 103 CD GLU A 12 6.678 -0.775 8.705 1.00 0.00 C ATOM 104 OE1 GLU A 12 6.323 0.393 8.677 1.00 0.00 O ATOM 105 OE2 GLU A 12 7.790 -1.157 8.382 1.00 0.00 O ATOM 0 H GLU A 12 4.405 -2.308 11.576 1.00 0.00 H new ATOM 0 HA GLU A 12 5.213 0.219 10.770 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.521 -1.923 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.072 -0.487 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.013 -2.282 10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.583 -2.611 8.428 1.00 0.00 H new ATOM 112 N GLN A 13 1.921 -0.090 10.988 1.00 0.00 N ATOM 113 CA GLN A 13 0.682 0.674 11.076 1.00 0.00 C ATOM 114 C GLN A 13 0.823 1.800 12.096 1.00 0.00 C ATOM 115 O GLN A 13 0.389 2.926 11.854 1.00 0.00 O ATOM 116 CB GLN A 13 -0.471 -0.249 11.481 1.00 0.00 C ATOM 117 CG GLN A 13 -1.793 0.522 11.436 1.00 0.00 C ATOM 118 CD GLN A 13 -2.107 0.941 10.003 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.450 0.102 9.170 1.00 0.00 O ATOM 120 NE2 GLN A 13 -2.010 2.198 9.664 1.00 0.00 N ATOM 0 H GLN A 13 1.807 -1.098 11.091 1.00 0.00 H new ATOM 0 HA GLN A 13 0.470 1.109 10.099 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.516 -1.106 10.809 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.301 -0.639 12.484 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.599 -0.100 11.826 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.731 1.403 12.075 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.726 2.892 10.355 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.219 2.486 8.708 1.00 0.00 H new ATOM 129 N GLU A 14 1.431 1.487 13.235 1.00 0.00 N ATOM 130 CA GLU A 14 1.624 2.482 14.284 1.00 0.00 C ATOM 131 C GLU A 14 2.575 3.577 13.815 1.00 0.00 C ATOM 132 O GLU A 14 2.296 4.765 13.974 1.00 0.00 O ATOM 133 CB GLU A 14 2.189 1.814 15.539 1.00 0.00 C ATOM 134 CG GLU A 14 1.102 0.965 16.200 1.00 0.00 C ATOM 135 CD GLU A 14 0.067 1.865 16.864 1.00 0.00 C ATOM 136 OE1 GLU A 14 0.415 2.518 17.835 1.00 0.00 O ATOM 137 OE2 GLU A 14 -1.058 1.890 16.394 1.00 0.00 O ATOM 0 H GLU A 14 1.796 0.560 13.455 1.00 0.00 H new ATOM 0 HA GLU A 14 0.658 2.931 14.516 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.044 1.190 15.278 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.548 2.571 16.236 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.620 0.332 15.455 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.548 0.302 16.941 1.00 0.00 H new ATOM 144 N ARG A 15 3.699 3.169 13.234 1.00 0.00 N ATOM 145 CA ARG A 15 4.683 4.127 12.743 1.00 0.00 C ATOM 146 C ARG A 15 4.014 5.168 11.852 1.00 0.00 C ATOM 147 O ARG A 15 4.118 6.370 12.100 1.00 0.00 O ATOM 148 CB ARG A 15 5.773 3.397 11.953 1.00 0.00 C ATOM 149 CG ARG A 15 6.732 2.701 12.921 1.00 0.00 C ATOM 150 CD ARG A 15 7.824 1.975 12.131 1.00 0.00 C ATOM 151 NE ARG A 15 8.989 1.741 12.978 1.00 0.00 N ATOM 152 CZ ARG A 15 9.917 2.678 13.144 1.00 0.00 C ATOM 153 NH1 ARG A 15 9.796 3.830 12.545 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.950 2.445 13.908 1.00 0.00 N ATOM 0 H ARG A 15 3.950 2.190 13.093 1.00 0.00 H new ATOM 0 HA ARG A 15 5.133 4.632 13.598 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.322 2.665 11.283 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.320 4.105 11.330 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.181 3.433 13.593 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.186 1.991 13.542 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.441 1.026 11.756 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.110 2.568 11.263 1.00 0.00 H new ATOM 0 HE ARG A 15 9.093 0.843 13.451 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.989 4.012 11.949 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.508 4.549 12.673 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.045 1.544 14.377 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.662 3.164 14.036 1.00 0.00 H new ATOM 168 N ARG A 16 3.328 4.700 10.815 1.00 0.00 N ATOM 169 CA ARG A 16 2.645 5.601 9.894 1.00 0.00 C ATOM 170 C ARG A 16 1.586 6.416 10.630 1.00 0.00 C ATOM 171 O ARG A 16 1.619 7.646 10.622 1.00 0.00 O ATOM 172 CB ARG A 16 1.986 4.798 8.771 1.00 0.00 C ATOM 173 CG ARG A 16 3.062 4.273 7.819 1.00 0.00 C ATOM 174 CD ARG A 16 2.407 3.438 6.717 1.00 0.00 C ATOM 175 NE ARG A 16 1.315 4.184 6.101 1.00 0.00 N ATOM 176 CZ ARG A 16 1.554 5.167 5.239 1.00 0.00 C ATOM 177 NH1 ARG A 16 2.782 5.482 4.932 1.00 0.00 N ATOM 178 NH2 ARG A 16 0.559 5.818 4.700 1.00 0.00 N ATOM 0 H ARG A 16 3.230 3.709 10.592 1.00 0.00 H new ATOM 0 HA ARG A 16 3.381 6.283 9.468 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.418 3.967 9.189 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.279 5.425 8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.612 5.106 7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.784 3.668 8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.148 3.174 5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.029 2.504 7.134 1.00 0.00 H new ATOM 0 HE ARG A 16 0.351 3.947 6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.559 4.974 5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.965 6.236 4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.401 5.572 4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.742 6.572 4.038 1.00 0.00 H new ATOM 192 N ASP A 17 0.649 5.720 11.267 1.00 0.00 N ATOM 193 CA ASP A 17 -0.417 6.389 12.007 1.00 0.00 C ATOM 194 C ASP A 17 0.129 7.592 12.769 1.00 0.00 C ATOM 195 O ASP A 17 -0.442 8.682 12.721 1.00 0.00 O ATOM 196 CB ASP A 17 -1.063 5.411 12.989 1.00 0.00 C ATOM 197 CG ASP A 17 -2.215 6.090 13.722 1.00 0.00 C ATOM 198 OD1 ASP A 17 -2.980 6.782 13.070 1.00 0.00 O ATOM 199 OD2 ASP A 17 -2.315 5.910 14.924 1.00 0.00 O ATOM 0 H ASP A 17 0.605 4.701 11.286 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.165 6.736 11.294 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.428 4.534 12.454 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.321 5.061 13.707 1.00 0.00 H new ATOM 204 N ARG A 18 1.239 7.387 13.471 1.00 0.00 N ATOM 205 CA ARG A 18 1.854 8.462 14.240 1.00 0.00 C ATOM 206 C ARG A 18 2.424 9.529 13.308 1.00 0.00 C ATOM 207 O ARG A 18 2.120 10.713 13.446 1.00 0.00 O ATOM 208 CB ARG A 18 2.972 7.901 15.121 1.00 0.00 C ATOM 209 CG ARG A 18 2.362 7.116 16.284 1.00 0.00 C ATOM 210 CD ARG A 18 3.476 6.628 17.212 1.00 0.00 C ATOM 211 NE ARG A 18 2.916 6.189 18.485 1.00 0.00 N ATOM 212 CZ ARG A 18 3.681 5.628 19.416 1.00 0.00 C ATOM 213 NH1 ARG A 18 4.956 5.462 19.199 1.00 0.00 N ATOM 214 NH2 ARG A 18 3.157 5.243 20.547 1.00 0.00 N ATOM 0 H ARG A 18 1.728 6.493 13.523 1.00 0.00 H new ATOM 0 HA ARG A 18 1.089 8.916 14.870 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.622 7.253 14.533 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.591 8.713 15.502 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.665 7.746 16.836 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.793 6.267 15.905 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.017 5.807 16.742 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.196 7.429 17.380 1.00 0.00 H new ATOM 0 HE ARG A 18 1.920 6.315 18.664 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.366 5.763 18.315 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.543 5.032 19.913 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.160 5.372 20.717 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.745 4.813 21.261 1.00 0.00 H new ATOM 228 N GLU A 19 3.254 9.098 12.363 1.00 0.00 N ATOM 229 CA GLU A 19 3.862 10.025 11.415 1.00 0.00 C ATOM 230 C GLU A 19 2.791 10.848 10.706 1.00 0.00 C ATOM 231 O GLU A 19 2.790 12.077 10.776 1.00 0.00 O ATOM 232 CB GLU A 19 4.682 9.252 10.381 1.00 0.00 C ATOM 233 CG GLU A 19 5.921 8.657 11.052 1.00 0.00 C ATOM 234 CD GLU A 19 6.574 7.633 10.129 1.00 0.00 C ATOM 235 OE1 GLU A 19 6.069 6.525 10.056 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.568 7.972 9.509 1.00 0.00 O ATOM 0 H GLU A 19 3.519 8.122 12.234 1.00 0.00 H new ATOM 0 HA GLU A 19 4.516 10.700 11.966 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.077 8.459 9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.979 9.914 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.631 9.449 11.290 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.643 8.184 11.994 1.00 0.00 H new ATOM 243 N LEU A 20 1.880 10.162 10.023 1.00 0.00 N ATOM 244 CA LEU A 20 0.808 10.842 9.304 1.00 0.00 C ATOM 245 C LEU A 20 0.011 11.734 10.252 1.00 0.00 C ATOM 246 O LEU A 20 -0.048 12.950 10.071 1.00 0.00 O ATOM 247 CB LEU A 20 -0.123 9.811 8.657 1.00 0.00 C ATOM 248 CG LEU A 20 0.464 9.353 7.319 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.885 8.832 7.533 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.406 8.235 6.738 1.00 0.00 C ATOM 0 H LEU A 20 1.862 9.145 9.952 1.00 0.00 H new ATOM 0 HA LEU A 20 1.252 11.465 8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.251 8.956 9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.111 10.245 8.502 1.00 0.00 H new ATOM 0 HG LEU A 20 0.488 10.195 6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.301 8.507 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.505 9.627 7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.864 7.991 8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.010 7.908 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.430 7.395 7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.419 8.606 6.583 1.00 0.00 H new ATOM 262 N ALA A 21 -0.600 11.122 11.263 1.00 0.00 N ATOM 263 CA ALA A 21 -1.390 11.874 12.232 1.00 0.00 C ATOM 264 C ALA A 21 -0.662 13.150 12.644 1.00 0.00 C ATOM 265 O ALA A 21 -1.281 14.198 12.827 1.00 0.00 O ATOM 266 CB ALA A 21 -1.657 11.014 13.469 1.00 0.00 C ATOM 0 H ALA A 21 -0.564 10.117 11.431 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.338 12.145 11.767 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.247 11.583 14.187 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.205 10.118 13.178 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.709 10.727 13.924 1.00 0.00 H new ATOM 272 N LEU A 22 0.655 13.052 12.789 1.00 0.00 N ATOM 273 CA LEU A 22 1.458 14.204 13.181 1.00 0.00 C ATOM 274 C LEU A 22 1.488 15.235 12.058 1.00 0.00 C ATOM 275 O LEU A 22 1.341 16.434 12.298 1.00 0.00 O ATOM 276 CB LEU A 22 2.886 13.757 13.509 1.00 0.00 C ATOM 277 CG LEU A 22 3.669 14.921 14.132 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.232 15.132 15.586 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.165 14.600 14.094 1.00 0.00 C ATOM 0 H LEU A 22 1.186 12.193 12.642 1.00 0.00 H new ATOM 0 HA LEU A 22 1.010 14.657 14.065 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.863 12.913 14.198 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.386 13.415 12.603 1.00 0.00 H new ATOM 0 HG LEU A 22 3.469 15.830 13.565 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.794 15.960 16.018 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.167 15.361 15.616 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.424 14.225 16.159 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.725 15.424 14.536 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.356 13.688 14.659 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.481 14.459 13.060 1.00 0.00 H new ATOM 291 N ARG A 23 1.677 14.760 10.832 1.00 0.00 N ATOM 292 CA ARG A 23 1.721 15.650 9.677 1.00 0.00 C ATOM 293 C ARG A 23 0.413 16.421 9.551 1.00 0.00 C ATOM 294 O ARG A 23 0.406 17.649 9.487 1.00 0.00 O ATOM 295 CB ARG A 23 1.965 14.840 8.402 1.00 0.00 C ATOM 296 CG ARG A 23 3.416 14.357 8.373 1.00 0.00 C ATOM 297 CD ARG A 23 3.588 13.319 7.262 1.00 0.00 C ATOM 298 NE ARG A 23 2.835 13.718 6.078 1.00 0.00 N ATOM 299 CZ ARG A 23 3.207 14.765 5.348 1.00 0.00 C ATOM 300 NH1 ARG A 23 4.258 15.458 5.689 1.00 0.00 N ATOM 301 NH2 ARG A 23 2.519 15.100 4.291 1.00 0.00 N ATOM 0 H ARG A 23 1.801 13.772 10.613 1.00 0.00 H new ATOM 0 HA ARG A 23 2.537 16.359 9.816 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.286 13.988 8.365 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.757 15.452 7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.087 15.199 8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.685 13.922 9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.644 13.215 7.012 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.245 12.344 7.609 1.00 0.00 H new ATOM 0 HE ARG A 23 2.009 13.185 5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.795 15.197 6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.543 16.261 5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.696 14.559 4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.804 15.903 3.731 1.00 0.00 H new ATOM 315 N ILE A 24 -0.697 15.693 9.518 1.00 0.00 N ATOM 316 CA ILE A 24 -2.005 16.324 9.400 1.00 0.00 C ATOM 317 C ILE A 24 -2.237 17.292 10.555 1.00 0.00 C ATOM 318 O ILE A 24 -2.683 18.420 10.352 1.00 0.00 O ATOM 319 CB ILE A 24 -3.099 15.256 9.400 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.737 14.158 8.397 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.433 15.891 9.001 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.885 13.152 8.303 1.00 0.00 C ATOM 0 H ILE A 24 -0.718 14.675 9.571 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.039 16.879 8.463 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.187 14.825 10.397 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.542 14.595 7.418 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.822 13.654 8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.213 15.129 9.001 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.691 16.674 9.714 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.347 16.322 8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.626 12.371 7.589 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.059 12.706 9.282 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.789 13.662 7.971 1.00 0.00 H new ATOM 334 N ALA A 25 -1.932 16.845 11.768 1.00 0.00 N ATOM 335 CA ALA A 25 -2.116 17.680 12.948 1.00 0.00 C ATOM 336 C ALA A 25 -1.413 19.023 12.779 1.00 0.00 C ATOM 337 O ALA A 25 -2.041 20.079 12.861 1.00 0.00 O ATOM 338 CB ALA A 25 -1.556 16.966 14.180 1.00 0.00 C ATOM 0 H ALA A 25 -1.559 15.915 11.959 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.184 17.858 13.077 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.696 17.594 15.060 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.080 16.021 14.322 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.493 16.774 14.037 1.00 0.00 H new ATOM 344 N GLN A 26 -0.106 18.974 12.553 1.00 0.00 N ATOM 345 CA GLN A 26 0.681 20.190 12.386 1.00 0.00 C ATOM 346 C GLN A 26 0.267 20.944 11.125 1.00 0.00 C ATOM 347 O GLN A 26 0.478 22.152 11.017 1.00 0.00 O ATOM 348 CB GLN A 26 2.171 19.829 12.332 1.00 0.00 C ATOM 349 CG GLN A 26 2.635 19.650 10.881 1.00 0.00 C ATOM 350 CD GLN A 26 3.917 18.825 10.844 1.00 0.00 C ATOM 351 OE1 GLN A 26 4.873 19.195 10.163 1.00 0.00 O ATOM 352 NE2 GLN A 26 3.991 17.725 11.540 1.00 0.00 N ATOM 0 H GLN A 26 0.430 18.109 12.481 1.00 0.00 H new ATOM 0 HA GLN A 26 0.498 20.846 13.237 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.757 20.612 12.812 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.348 18.910 12.891 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.857 19.155 10.300 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.805 20.624 10.422 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.196 17.423 12.103 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.844 17.166 11.522 1.00 0.00 H new ATOM 361 N SER A 27 -0.325 20.228 10.177 1.00 0.00 N ATOM 362 CA SER A 27 -0.763 20.851 8.932 1.00 0.00 C ATOM 363 C SER A 27 -1.915 21.807 9.204 1.00 0.00 C ATOM 364 O SER A 27 -1.808 23.010 8.966 1.00 0.00 O ATOM 365 CB SER A 27 -1.208 19.784 7.931 1.00 0.00 C ATOM 366 OG SER A 27 -1.430 20.391 6.666 1.00 0.00 O ATOM 0 H SER A 27 -0.512 19.227 10.243 1.00 0.00 H new ATOM 0 HA SER A 27 0.074 21.407 8.510 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.447 19.008 7.846 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.120 19.299 8.280 1.00 0.00 H new ATOM 0 HG SER A 27 -1.714 19.710 6.021 1.00 0.00 H new ATOM 372 N GLU A 28 -3.012 21.265 9.719 1.00 0.00 N ATOM 373 CA GLU A 28 -4.175 22.082 10.034 1.00 0.00 C ATOM 374 C GLU A 28 -3.807 23.132 11.068 1.00 0.00 C ATOM 375 O GLU A 28 -4.253 24.277 10.996 1.00 0.00 O ATOM 376 CB GLU A 28 -5.296 21.202 10.594 1.00 0.00 C ATOM 377 CG GLU A 28 -5.344 19.874 9.832 1.00 0.00 C ATOM 378 CD GLU A 28 -6.792 19.447 9.602 1.00 0.00 C ATOM 379 OE1 GLU A 28 -7.526 20.212 8.997 1.00 0.00 O ATOM 380 OE2 GLU A 28 -7.145 18.363 10.036 1.00 0.00 O ATOM 0 H GLU A 28 -3.120 20.272 9.926 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.515 22.571 9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.130 21.017 11.655 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.253 21.717 10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.832 19.977 8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.816 19.105 10.395 1.00 0.00 H new ATOM 387 N ALA A 29 -2.996 22.728 12.037 1.00 0.00 N ATOM 388 CA ALA A 29 -2.580 23.637 13.090 1.00 0.00 C ATOM 389 C ALA A 29 -1.797 24.811 12.511 1.00 0.00 C ATOM 390 O ALA A 29 -1.935 25.947 12.966 1.00 0.00 O ATOM 391 CB ALA A 29 -1.715 22.897 14.113 1.00 0.00 C ATOM 0 H ALA A 29 -2.617 21.784 12.114 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.474 24.021 13.582 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.409 23.588 14.898 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.289 22.081 14.552 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.831 22.495 13.619 1.00 0.00 H new ATOM 397 N GLU A 30 -0.972 24.528 11.506 1.00 0.00 N ATOM 398 CA GLU A 30 -0.166 25.567 10.872 1.00 0.00 C ATOM 399 C GLU A 30 -0.959 26.279 9.781 1.00 0.00 C ATOM 400 O GLU A 30 -0.609 27.385 9.370 1.00 0.00 O ATOM 401 CB GLU A 30 1.094 24.948 10.263 1.00 0.00 C ATOM 402 CG GLU A 30 2.072 24.577 11.379 1.00 0.00 C ATOM 403 CD GLU A 30 2.744 25.832 11.922 1.00 0.00 C ATOM 404 OE1 GLU A 30 3.531 26.421 11.199 1.00 0.00 O ATOM 405 OE2 GLU A 30 2.462 26.188 13.055 1.00 0.00 O ATOM 0 H GLU A 30 -0.845 23.594 11.115 1.00 0.00 H new ATOM 0 HA GLU A 30 0.113 26.295 11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.833 24.062 9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.562 25.652 9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.543 24.062 12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.825 23.887 10.999 1.00 0.00 H new ATOM 412 N LEU A 31 -2.024 25.639 9.312 1.00 0.00 N ATOM 413 CA LEU A 31 -2.851 26.225 8.263 1.00 0.00 C ATOM 414 C LEU A 31 -1.975 26.672 7.094 1.00 0.00 C ATOM 415 O LEU A 31 -1.822 27.866 6.836 1.00 0.00 O ATOM 416 CB LEU A 31 -3.634 27.422 8.827 1.00 0.00 C ATOM 417 CG LEU A 31 -5.054 26.987 9.216 1.00 0.00 C ATOM 418 CD1 LEU A 31 -5.615 27.944 10.269 1.00 0.00 C ATOM 419 CD2 LEU A 31 -5.957 27.014 7.979 1.00 0.00 C ATOM 0 H LEU A 31 -2.333 24.723 9.637 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.557 25.476 7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.118 27.827 9.698 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.680 28.219 8.085 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.020 25.976 9.622 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.623 27.633 10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.977 27.927 11.153 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.645 28.955 9.863 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.965 26.705 8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.987 28.025 7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.563 26.331 7.226 1.00 0.00 H new ATOM 450 N SER A 33 -1.030 23.838 4.260 1.00 0.00 N ATOM 451 CA SER A 33 -1.409 22.906 3.205 1.00 0.00 C ATOM 452 C SER A 33 -1.046 23.448 1.823 1.00 0.00 C ATOM 453 O SER A 33 -1.913 23.638 0.970 1.00 0.00 O ATOM 454 CB SER A 33 -2.909 22.636 3.286 1.00 0.00 C ATOM 455 OG SER A 33 -3.330 22.732 4.641 1.00 0.00 O ATOM 0 HA SER A 33 -0.857 21.977 3.350 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.453 23.354 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.134 21.645 2.892 1.00 0.00 H new ATOM 0 HG SER A 33 -2.696 23.287 5.142 1.00 0.00 H new ATOM 461 N ASP A 34 0.243 23.694 1.610 1.00 0.00 N ATOM 462 CA ASP A 34 0.712 24.213 0.330 1.00 0.00 C ATOM 463 C ASP A 34 0.080 23.445 -0.826 1.00 0.00 C ATOM 464 O ASP A 34 -0.263 24.026 -1.856 1.00 0.00 O ATOM 465 CB ASP A 34 2.235 24.100 0.248 1.00 0.00 C ATOM 466 CG ASP A 34 2.749 24.864 -0.968 1.00 0.00 C ATOM 467 OD1 ASP A 34 2.108 25.829 -1.352 1.00 0.00 O ATOM 468 OD2 ASP A 34 3.776 24.473 -1.498 1.00 0.00 O ATOM 0 H ASP A 34 0.977 23.544 2.302 1.00 0.00 H new ATOM 0 HA ASP A 34 0.420 25.261 0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.687 24.499 1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.527 23.052 0.180 1.00 0.00 H new ATOM 473 N GLU A 35 -0.070 22.137 -0.648 1.00 0.00 N ATOM 474 CA GLU A 35 -0.662 21.298 -1.684 1.00 0.00 C ATOM 475 C GLU A 35 -1.939 21.932 -2.224 1.00 0.00 C ATOM 476 O GLU A 35 -2.105 22.083 -3.434 1.00 0.00 O ATOM 477 CB GLU A 35 -0.976 19.913 -1.118 1.00 0.00 C ATOM 478 CG GLU A 35 -1.639 19.057 -2.199 1.00 0.00 C ATOM 479 CD GLU A 35 -1.701 17.601 -1.747 1.00 0.00 C ATOM 480 OE1 GLU A 35 -0.665 16.957 -1.751 1.00 0.00 O ATOM 481 OE2 GLU A 35 -2.783 17.152 -1.405 1.00 0.00 O ATOM 0 H GLU A 35 0.208 21.638 0.197 1.00 0.00 H new ATOM 0 HA GLU A 35 0.054 21.202 -2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.060 19.434 -0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.636 20.002 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.644 19.427 -2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.078 19.134 -3.130 1.00 0.00 H new ATOM 488 N ALA A 36 -2.840 22.300 -1.320 1.00 0.00 N ATOM 489 CA ALA A 36 -4.100 22.917 -1.717 1.00 0.00 C ATOM 490 C ALA A 36 -3.847 24.133 -2.603 1.00 0.00 C ATOM 491 O ALA A 36 -4.380 24.231 -3.708 1.00 0.00 O ATOM 492 CB ALA A 36 -4.889 23.341 -0.477 1.00 0.00 C ATOM 0 H ALA A 36 -2.723 22.183 -0.314 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.678 22.185 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.829 23.801 -0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.097 22.466 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.304 24.059 0.098 1.00 0.00 H new ATOM 498 N GLN A 37 -3.029 25.057 -2.110 1.00 0.00 N ATOM 499 CA GLN A 37 -2.712 26.264 -2.866 1.00 0.00 C ATOM 500 C GLN A 37 -2.226 25.907 -4.268 1.00 0.00 C ATOM 501 O GLN A 37 -2.622 26.535 -5.250 1.00 0.00 O ATOM 502 CB GLN A 37 -1.631 27.068 -2.140 1.00 0.00 C ATOM 503 CG GLN A 37 -2.022 27.244 -0.671 1.00 0.00 C ATOM 504 CD GLN A 37 -3.396 27.897 -0.572 1.00 0.00 C ATOM 505 OE1 GLN A 37 -3.652 28.911 -1.222 1.00 0.00 O ATOM 506 NE2 GLN A 37 -4.302 27.373 0.209 1.00 0.00 N ATOM 0 H GLN A 37 -2.577 24.995 -1.198 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.618 26.865 -2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.672 26.555 -2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.508 28.042 -2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.034 26.276 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.281 27.858 -0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.088 26.533 0.747 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.224 27.804 0.281 1.00 0.00 H new ATOM 515 N ALA A 38 -1.367 24.896 -4.352 1.00 0.00 N ATOM 516 CA ALA A 38 -0.834 24.467 -5.639 1.00 0.00 C ATOM 517 C ALA A 38 -1.958 23.992 -6.554 1.00 0.00 C ATOM 518 O ALA A 38 -2.066 24.431 -7.699 1.00 0.00 O ATOM 519 CB ALA A 38 0.174 23.334 -5.435 1.00 0.00 C ATOM 0 H ALA A 38 -1.028 24.363 -3.551 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.336 25.317 -6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.568 23.019 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.993 23.684 -4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.319 22.491 -4.952 1.00 0.00 H new ATOM 525 N ASP A 39 -2.791 23.093 -6.042 1.00 0.00 N ATOM 526 CA ASP A 39 -3.904 22.565 -6.823 1.00 0.00 C ATOM 527 C ASP A 39 -4.771 23.701 -7.357 1.00 0.00 C ATOM 528 O ASP A 39 -4.935 23.853 -8.568 1.00 0.00 O ATOM 529 CB ASP A 39 -4.755 21.636 -5.957 1.00 0.00 C ATOM 530 CG ASP A 39 -3.980 20.361 -5.643 1.00 0.00 C ATOM 531 OD1 ASP A 39 -2.887 20.471 -5.112 1.00 0.00 O ATOM 532 OD2 ASP A 39 -4.490 19.293 -5.938 1.00 0.00 O ATOM 0 H ASP A 39 -2.718 22.717 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.498 22.006 -7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.032 22.140 -5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.682 21.390 -6.475 1.00 0.00 H new ATOM 537 N LEU A 40 -5.322 24.498 -6.447 1.00 0.00 N ATOM 538 CA LEU A 40 -6.170 25.617 -6.839 1.00 0.00 C ATOM 539 C LEU A 40 -5.462 26.490 -7.869 1.00 0.00 C ATOM 540 O LEU A 40 -6.073 26.944 -8.838 1.00 0.00 O ATOM 541 CB LEU A 40 -6.524 26.462 -5.611 1.00 0.00 C ATOM 542 CG LEU A 40 -7.168 25.576 -4.541 1.00 0.00 C ATOM 543 CD1 LEU A 40 -7.219 26.335 -3.214 1.00 0.00 C ATOM 544 CD2 LEU A 40 -8.592 25.199 -4.965 1.00 0.00 C ATOM 0 H LEU A 40 -5.198 24.391 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.083 25.218 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.627 26.935 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.208 27.262 -5.894 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.575 24.669 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.677 25.705 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.207 26.599 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.809 27.243 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.045 24.569 -4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.187 26.104 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.559 24.656 -5.909 1.00 0.00 H new ATOM 556 N ALA A 41 -4.170 26.719 -7.657 1.00 0.00 N ATOM 557 CA ALA A 41 -3.388 27.539 -8.576 1.00 0.00 C ATOM 558 C ALA A 41 -3.415 26.945 -9.981 1.00 0.00 C ATOM 559 O ALA A 41 -3.842 27.597 -10.934 1.00 0.00 O ATOM 560 CB ALA A 41 -1.943 27.637 -8.088 1.00 0.00 C ATOM 0 H ALA A 41 -3.645 26.352 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.828 28.536 -8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.366 28.251 -8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.924 28.091 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.507 26.639 -8.038 1.00 0.00 H new ATOM 566 N LEU A 42 -2.953 25.705 -10.102 1.00 0.00 N ATOM 567 CA LEU A 42 -2.927 25.032 -11.397 1.00 0.00 C ATOM 568 C LEU A 42 -4.300 25.092 -12.058 1.00 0.00 C ATOM 569 O LEU A 42 -4.408 25.249 -13.274 1.00 0.00 O ATOM 570 CB LEU A 42 -2.508 23.570 -11.220 1.00 0.00 C ATOM 571 CG LEU A 42 -1.121 23.503 -10.568 1.00 0.00 C ATOM 572 CD1 LEU A 42 -0.930 22.133 -9.914 1.00 0.00 C ATOM 573 CD2 LEU A 42 -0.036 23.709 -11.632 1.00 0.00 C ATOM 0 H LEU A 42 -2.594 25.149 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.205 25.541 -12.035 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.236 23.046 -10.602 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.490 23.067 -12.187 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.043 24.286 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.055 22.085 -9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.696 21.983 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.013 21.354 -10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.947 23.660 -11.163 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.116 22.929 -12.389 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.167 24.684 -12.101 1.00 0.00 H new ATOM 585 N ARG A 43 -5.346 24.965 -11.251 1.00 0.00 N ATOM 586 CA ARG A 43 -6.709 25.006 -11.769 1.00 0.00 C ATOM 587 C ARG A 43 -7.067 26.417 -12.225 1.00 0.00 C ATOM 588 O ARG A 43 -7.588 26.611 -13.323 1.00 0.00 O ATOM 589 CB ARG A 43 -7.692 24.552 -10.688 1.00 0.00 C ATOM 590 CG ARG A 43 -9.112 24.552 -11.257 1.00 0.00 C ATOM 591 CD ARG A 43 -10.042 23.792 -10.310 1.00 0.00 C ATOM 592 NE ARG A 43 -11.403 23.789 -10.835 1.00 0.00 N ATOM 593 CZ ARG A 43 -12.311 22.930 -10.383 1.00 0.00 C ATOM 594 NH1 ARG A 43 -11.994 22.071 -9.453 1.00 0.00 N ATOM 595 NH2 ARG A 43 -13.522 22.946 -10.869 1.00 0.00 N ATOM 0 H ARG A 43 -5.279 24.834 -10.242 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.773 24.333 -12.624 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.429 23.554 -10.338 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.634 25.217 -9.826 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.464 25.576 -11.385 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.120 24.087 -12.243 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.690 22.768 -10.187 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.026 24.255 -9.323 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.662 24.457 -11.561 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.048 22.058 -9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.692 21.413 -9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.771 23.617 -11.595 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.219 22.287 -10.523 1.00 0.00 H new ATOM 609 N ARG A 44 -6.784 27.398 -11.374 1.00 0.00 N ATOM 610 CA ARG A 44 -7.079 28.787 -11.698 1.00 0.00 C ATOM 611 C ARG A 44 -6.336 29.217 -12.960 1.00 0.00 C ATOM 612 O ARG A 44 -6.663 30.235 -13.570 1.00 0.00 O ATOM 613 CB ARG A 44 -6.674 29.688 -10.526 1.00 0.00 C ATOM 614 CG ARG A 44 -7.537 30.950 -10.525 1.00 0.00 C ATOM 615 CD ARG A 44 -7.067 31.891 -9.416 1.00 0.00 C ATOM 616 NE ARG A 44 -7.489 31.388 -8.113 1.00 0.00 N ATOM 617 CZ ARG A 44 -8.767 31.411 -7.749 1.00 0.00 C ATOM 618 NH1 ARG A 44 -9.669 31.888 -8.563 1.00 0.00 N ATOM 619 NH2 ARG A 44 -9.120 30.955 -6.579 1.00 0.00 N ATOM 0 H ARG A 44 -6.353 27.257 -10.460 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.150 28.881 -11.878 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.795 29.152 -9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.621 29.956 -10.608 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.471 31.449 -11.492 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.584 30.687 -10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.981 31.983 -9.444 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.476 32.888 -9.578 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.791 31.012 -7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.393 32.243 -9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.650 31.906 -8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.415 30.581 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.101 30.973 -6.299 1.00 0.00 H new ATOM 633 N SER A 45 -5.333 28.434 -13.346 1.00 0.00 N ATOM 634 CA SER A 45 -4.550 28.744 -14.537 1.00 0.00 C ATOM 635 C SER A 45 -5.370 28.502 -15.799 1.00 0.00 C ATOM 636 O SER A 45 -5.899 27.409 -16.008 1.00 0.00 O ATOM 637 CB SER A 45 -3.290 27.878 -14.572 1.00 0.00 C ATOM 638 OG SER A 45 -2.415 28.365 -15.582 1.00 0.00 O ATOM 0 H SER A 45 -5.045 27.587 -12.856 1.00 0.00 H new ATOM 0 HA SER A 45 -4.268 29.796 -14.499 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.793 27.899 -13.602 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.554 26.840 -14.772 1.00 0.00 H new ATOM 0 HG SER A 45 -1.605 27.814 -15.607 1.00 0.00 H new ATOM 644 N LEU A 46 -5.474 29.527 -16.637 1.00 0.00 N ATOM 645 CA LEU A 46 -6.233 29.414 -17.877 1.00 0.00 C ATOM 646 C LEU A 46 -5.547 28.447 -18.837 1.00 0.00 C ATOM 647 O LEU A 46 -6.208 27.748 -19.607 1.00 0.00 O ATOM 648 CB LEU A 46 -6.360 30.789 -18.540 1.00 0.00 C ATOM 649 CG LEU A 46 -7.420 30.736 -19.650 1.00 0.00 C ATOM 650 CD1 LEU A 46 -8.809 30.998 -19.057 1.00 0.00 C ATOM 651 CD2 LEU A 46 -7.113 31.806 -20.702 1.00 0.00 C ATOM 0 H LEU A 46 -5.046 30.440 -16.482 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.226 29.032 -17.640 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.636 31.537 -17.797 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.399 31.092 -18.956 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.403 29.749 -20.112 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.556 30.959 -19.850 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.034 30.238 -18.308 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.826 31.983 -18.591 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.865 31.768 -21.490 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.126 32.790 -20.234 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.128 31.622 -21.132 1.00 0.00 H new ATOM 663 N ASP A 47 -4.220 28.414 -18.789 1.00 0.00 N ATOM 664 CA ASP A 47 -3.454 27.530 -19.659 1.00 0.00 C ATOM 665 C ASP A 47 -3.599 26.078 -19.211 1.00 0.00 C ATOM 666 O ASP A 47 -2.834 25.210 -19.631 1.00 0.00 O ATOM 667 CB ASP A 47 -1.977 27.927 -19.637 1.00 0.00 C ATOM 668 CG ASP A 47 -1.782 29.251 -20.368 1.00 0.00 C ATOM 669 OD1 ASP A 47 -1.789 29.239 -21.588 1.00 0.00 O ATOM 670 OD2 ASP A 47 -1.629 30.258 -19.696 1.00 0.00 O ATOM 0 H ASP A 47 -3.655 28.986 -18.161 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.841 27.626 -20.673 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.631 28.016 -18.607 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.376 27.150 -20.109 1.00 0.00 H new ATOM 675 N SER A 48 -4.585 25.824 -18.358 1.00 0.00 N ATOM 676 CA SER A 48 -4.822 24.473 -17.860 1.00 0.00 C ATOM 677 C SER A 48 -5.291 23.561 -18.989 1.00 0.00 C ATOM 678 O SER A 48 -4.840 22.421 -19.107 1.00 0.00 O ATOM 679 CB SER A 48 -5.876 24.501 -16.753 1.00 0.00 C ATOM 680 OG SER A 48 -6.385 23.189 -16.557 1.00 0.00 O ATOM 0 H SER A 48 -5.229 26.529 -17.999 1.00 0.00 H new ATOM 0 HA SER A 48 -3.886 24.085 -17.459 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.438 24.876 -15.828 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.684 25.181 -17.022 1.00 0.00 H new ATOM 0 HG SER A 48 -7.060 23.203 -15.847 1.00 0.00 H new ATOM 894 N THR A 62 -18.538 5.476 -34.649 1.00 0.00 N ATOM 895 CA THR A 62 -17.776 4.828 -33.587 1.00 0.00 C ATOM 896 C THR A 62 -17.244 3.475 -34.061 1.00 0.00 C ATOM 897 O THR A 62 -17.870 2.814 -34.891 1.00 0.00 O ATOM 898 CB THR A 62 -18.666 4.629 -32.357 1.00 0.00 C ATOM 899 OG1 THR A 62 -19.925 4.111 -32.765 1.00 0.00 O ATOM 900 CG2 THR A 62 -18.871 5.970 -31.648 1.00 0.00 C ATOM 0 HA THR A 62 -16.932 5.466 -33.325 1.00 0.00 H new ATOM 0 HB THR A 62 -18.187 3.929 -31.672 1.00 0.00 H new ATOM 0 HG1 THR A 62 -20.243 4.604 -33.550 1.00 0.00 H new ATOM 0 HG21 THR A 62 -19.505 5.826 -30.773 1.00 0.00 H new ATOM 0 HG22 THR A 62 -17.905 6.368 -31.335 1.00 0.00 H new ATOM 0 HG23 THR A 62 -19.349 6.673 -32.330 1.00 0.00 H new ATOM 908 N PRO A 63 -16.113 3.051 -33.555 1.00 0.00 N ATOM 909 CA PRO A 63 -15.499 1.750 -33.938 1.00 0.00 C ATOM 910 C PRO A 63 -16.542 0.648 -34.120 1.00 0.00 C ATOM 911 O PRO A 63 -16.489 -0.116 -35.085 1.00 0.00 O ATOM 912 CB PRO A 63 -14.573 1.441 -32.761 1.00 0.00 C ATOM 913 CG PRO A 63 -14.164 2.776 -32.221 1.00 0.00 C ATOM 914 CD PRO A 63 -15.290 3.763 -32.560 1.00 0.00 C ATOM 0 HA PRO A 63 -14.982 1.802 -34.896 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.085 0.850 -32.002 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.706 0.864 -33.083 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.008 2.725 -31.143 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.222 3.099 -32.664 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.871 4.022 -31.675 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.894 4.694 -32.965 1.00 0.00 H new ATOM 922 N GLU A 64 -17.486 0.572 -33.188 1.00 0.00 N ATOM 923 CA GLU A 64 -18.533 -0.441 -33.256 1.00 0.00 C ATOM 924 C GLU A 64 -19.339 -0.298 -34.542 1.00 0.00 C ATOM 925 O GLU A 64 -19.569 -1.276 -35.253 1.00 0.00 O ATOM 926 CB GLU A 64 -19.467 -0.311 -32.051 1.00 0.00 C ATOM 927 CG GLU A 64 -20.338 -1.566 -31.938 1.00 0.00 C ATOM 928 CD GLU A 64 -19.588 -2.660 -31.185 1.00 0.00 C ATOM 929 OE1 GLU A 64 -18.371 -2.683 -31.270 1.00 0.00 O ATOM 930 OE2 GLU A 64 -20.241 -3.459 -30.534 1.00 0.00 O ATOM 0 H GLU A 64 -17.548 1.195 -32.382 1.00 0.00 H new ATOM 0 HA GLU A 64 -18.059 -1.423 -33.245 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -18.885 -0.177 -31.139 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -20.096 0.572 -32.160 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -21.266 -1.328 -31.419 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -20.610 -1.920 -32.932 1.00 0.00 H new ATOM 937 N GLN A 65 -19.768 0.925 -34.832 1.00 0.00 N ATOM 938 CA GLN A 65 -20.552 1.183 -36.035 1.00 0.00 C ATOM 939 C GLN A 65 -19.811 0.698 -37.276 1.00 0.00 C ATOM 940 O GLN A 65 -20.236 -0.253 -37.932 1.00 0.00 O ATOM 941 CB GLN A 65 -20.835 2.682 -36.162 1.00 0.00 C ATOM 942 CG GLN A 65 -21.871 3.097 -35.115 1.00 0.00 C ATOM 943 CD GLN A 65 -22.229 4.568 -35.294 1.00 0.00 C ATOM 944 OE1 GLN A 65 -22.545 5.254 -34.321 1.00 0.00 O ATOM 945 NE2 GLN A 65 -22.201 5.096 -36.486 1.00 0.00 N ATOM 0 H GLN A 65 -19.588 1.748 -34.256 1.00 0.00 H new ATOM 0 HA GLN A 65 -21.493 0.639 -35.954 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -19.915 3.250 -36.023 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.202 2.910 -37.163 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -22.765 2.482 -35.212 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -21.476 2.929 -34.113 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -21.939 4.526 -37.290 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -22.441 6.079 -36.614 1.00 0.00 H new ATOM 954 N MET A 66 -18.703 1.359 -37.594 1.00 0.00 N ATOM 955 CA MET A 66 -17.911 0.987 -38.760 1.00 0.00 C ATOM 956 C MET A 66 -17.570 -0.499 -38.731 1.00 0.00 C ATOM 957 O MET A 66 -17.423 -1.132 -39.775 1.00 0.00 O ATOM 958 CB MET A 66 -16.620 1.811 -38.805 1.00 0.00 C ATOM 959 CG MET A 66 -15.842 1.629 -37.499 1.00 0.00 C ATOM 960 SD MET A 66 -14.925 0.069 -37.556 1.00 0.00 S ATOM 961 CE MET A 66 -13.422 0.719 -38.325 1.00 0.00 C ATOM 0 H MET A 66 -18.335 2.150 -37.065 1.00 0.00 H new ATOM 0 HA MET A 66 -18.502 1.192 -39.652 1.00 0.00 H new ATOM 0 HB2 MET A 66 -16.007 1.498 -39.650 1.00 0.00 H new ATOM 0 HB3 MET A 66 -16.855 2.865 -38.955 1.00 0.00 H new ATOM 0 HG2 MET A 66 -15.155 2.462 -37.353 1.00 0.00 H new ATOM 0 HG3 MET A 66 -16.528 1.630 -36.652 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.702 -0.089 -38.457 1.00 0.00 H new ATOM 0 HE2 MET A 66 -13.667 1.149 -39.296 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.990 1.489 -37.686 1.00 0.00 H new ATOM 971 N ALA A 67 -17.446 -1.052 -37.527 1.00 0.00 N ATOM 972 CA ALA A 67 -17.121 -2.466 -37.378 1.00 0.00 C ATOM 973 C ALA A 67 -18.321 -3.335 -37.743 1.00 0.00 C ATOM 974 O ALA A 67 -18.200 -4.279 -38.522 1.00 0.00 O ATOM 975 CB ALA A 67 -16.697 -2.756 -35.937 1.00 0.00 C ATOM 0 H ALA A 67 -17.565 -0.547 -36.649 1.00 0.00 H new ATOM 0 HA ALA A 67 -16.298 -2.702 -38.053 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.456 -3.814 -35.835 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -15.820 -2.158 -35.689 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.513 -2.502 -35.260 1.00 0.00 H new ATOM 981 N LYS A 68 -19.478 -3.010 -37.176 1.00 0.00 N ATOM 982 CA LYS A 68 -20.691 -3.770 -37.455 1.00 0.00 C ATOM 983 C LYS A 68 -21.119 -3.575 -38.907 1.00 0.00 C ATOM 984 O LYS A 68 -21.673 -4.482 -39.528 1.00 0.00 O ATOM 985 CB LYS A 68 -21.818 -3.318 -36.521 1.00 0.00 C ATOM 986 CG LYS A 68 -21.629 -3.954 -35.140 1.00 0.00 C ATOM 987 CD LYS A 68 -22.786 -3.542 -34.227 1.00 0.00 C ATOM 988 CE LYS A 68 -22.836 -4.473 -33.014 1.00 0.00 C ATOM 989 NZ LYS A 68 -21.506 -4.486 -32.341 1.00 0.00 N ATOM 0 H LYS A 68 -19.601 -2.233 -36.527 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.485 -4.827 -37.287 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -21.818 -2.231 -36.435 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -22.784 -3.605 -36.935 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -21.591 -5.040 -35.230 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -20.680 -3.636 -34.708 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.656 -2.510 -33.901 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -23.728 -3.588 -34.773 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -23.605 -4.139 -32.317 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -23.107 -5.481 -33.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -21.196 -5.469 -32.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.813 -3.984 -32.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.580 -4.014 -31.417 1.00 0.00 H new ATOM 1003 N GLU A 69 -20.861 -2.386 -39.440 1.00 0.00 N ATOM 1004 CA GLU A 69 -21.226 -2.081 -40.818 1.00 0.00 C ATOM 1005 C GLU A 69 -20.350 -2.861 -41.795 1.00 0.00 C ATOM 1006 O GLU A 69 -20.851 -3.637 -42.608 1.00 0.00 O ATOM 1007 CB GLU A 69 -21.070 -0.582 -41.080 1.00 0.00 C ATOM 1008 CG GLU A 69 -22.177 0.182 -40.348 1.00 0.00 C ATOM 1009 CD GLU A 69 -23.518 -0.059 -41.033 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -23.623 0.250 -42.209 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -24.417 -0.550 -40.372 1.00 0.00 O ATOM 0 H GLU A 69 -20.403 -1.622 -38.942 1.00 0.00 H new ATOM 0 HA GLU A 69 -22.265 -2.373 -40.968 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.092 -0.242 -40.739 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -21.122 -0.382 -42.150 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -22.227 -0.141 -39.308 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.950 1.248 -40.340 1.00 0.00 H new ATOM 1018 N MET A 70 -19.040 -2.651 -41.710 1.00 0.00 N ATOM 1019 CA MET A 70 -18.108 -3.341 -42.594 1.00 0.00 C ATOM 1020 C MET A 70 -18.197 -4.849 -42.397 1.00 0.00 C ATOM 1021 O MET A 70 -18.185 -5.612 -43.362 1.00 0.00 O ATOM 1022 CB MET A 70 -16.676 -2.871 -42.316 1.00 0.00 C ATOM 1023 CG MET A 70 -16.180 -3.468 -40.997 1.00 0.00 C ATOM 1024 SD MET A 70 -14.703 -2.576 -40.451 1.00 0.00 S ATOM 1025 CE MET A 70 -13.982 -3.915 -39.468 1.00 0.00 C ATOM 0 H MET A 70 -18.603 -2.014 -41.044 1.00 0.00 H new ATOM 0 HA MET A 70 -18.374 -3.105 -43.624 1.00 0.00 H new ATOM 0 HB2 MET A 70 -16.020 -3.173 -43.132 1.00 0.00 H new ATOM 0 HB3 MET A 70 -16.644 -1.783 -42.268 1.00 0.00 H new ATOM 0 HG2 MET A 70 -16.960 -3.401 -40.239 1.00 0.00 H new ATOM 0 HG3 MET A 70 -15.952 -4.526 -41.127 1.00 0.00 H new ATOM 0 HE1 MET A 70 -13.101 -3.547 -38.943 1.00 0.00 H new ATOM 0 HE2 MET A 70 -14.715 -4.270 -38.743 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.696 -4.736 -40.126 1.00 0.00 H new ATOM 1035 N SER A 71 -18.282 -5.271 -41.141 1.00 0.00 N ATOM 1036 CA SER A 71 -18.367 -6.692 -40.831 1.00 0.00 C ATOM 1037 C SER A 71 -19.613 -7.307 -41.461 1.00 0.00 C ATOM 1038 O SER A 71 -19.530 -8.307 -42.173 1.00 0.00 O ATOM 1039 CB SER A 71 -18.404 -6.896 -39.317 1.00 0.00 C ATOM 1040 OG SER A 71 -17.197 -6.408 -38.746 1.00 0.00 O ATOM 0 H SER A 71 -18.294 -4.656 -40.328 1.00 0.00 H new ATOM 0 HA SER A 71 -17.486 -7.186 -41.242 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.259 -6.373 -38.889 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.528 -7.954 -39.084 1.00 0.00 H new ATOM 0 HG SER A 71 -17.215 -5.428 -38.730 1.00 0.00 H new ATOM 1046 N GLU A 72 -20.765 -6.702 -41.192 1.00 0.00 N ATOM 1047 CA GLU A 72 -22.024 -7.201 -41.735 1.00 0.00 C ATOM 1048 C GLU A 72 -22.010 -7.152 -43.260 1.00 0.00 C ATOM 1049 O GLU A 72 -22.630 -7.984 -43.922 1.00 0.00 O ATOM 1050 CB GLU A 72 -23.189 -6.364 -41.205 1.00 0.00 C ATOM 1051 CG GLU A 72 -23.413 -6.678 -39.725 1.00 0.00 C ATOM 1052 CD GLU A 72 -24.074 -8.044 -39.575 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -24.424 -8.625 -40.590 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -24.221 -8.490 -38.450 1.00 0.00 O ATOM 0 H GLU A 72 -20.854 -5.872 -40.606 1.00 0.00 H new ATOM 0 HA GLU A 72 -22.148 -8.237 -41.419 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -22.976 -5.303 -41.334 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -24.093 -6.579 -41.774 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -22.461 -6.665 -39.194 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -24.040 -5.910 -39.273 1.00 0.00 H new ATOM 1061 N PHE A 73 -21.302 -6.172 -43.811 1.00 0.00 N ATOM 1062 CA PHE A 73 -21.218 -6.025 -45.259 1.00 0.00 C ATOM 1063 C PHE A 73 -20.261 -7.056 -45.851 1.00 0.00 C ATOM 1064 O PHE A 73 -20.570 -7.701 -46.853 1.00 0.00 O ATOM 1065 CB PHE A 73 -20.737 -4.617 -45.614 1.00 0.00 C ATOM 1066 CG PHE A 73 -20.897 -4.387 -47.097 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -22.095 -3.864 -47.599 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -19.848 -4.699 -47.971 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -22.243 -3.651 -48.975 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -19.998 -4.487 -49.347 1.00 0.00 C ATOM 1071 CZ PHE A 73 -21.194 -3.963 -49.849 1.00 0.00 C ATOM 0 H PHE A 73 -20.782 -5.473 -43.281 1.00 0.00 H new ATOM 0 HA PHE A 73 -22.211 -6.187 -45.678 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -21.309 -3.875 -45.057 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -19.692 -4.495 -45.327 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -22.904 -3.625 -46.925 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -18.924 -5.103 -47.584 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -23.166 -3.246 -49.362 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -19.190 -4.728 -50.021 1.00 0.00 H new ATOM 0 HZ PHE A 73 -21.308 -3.799 -50.910 1.00 0.00 H new ATOM 1081 N LEU A 74 -19.098 -7.202 -45.225 1.00 0.00 N ATOM 1082 CA LEU A 74 -18.101 -8.156 -45.697 1.00 0.00 C ATOM 1083 C LEU A 74 -18.474 -9.575 -45.279 1.00 0.00 C ATOM 1084 O LEU A 74 -17.840 -10.542 -45.699 1.00 0.00 O ATOM 1085 CB LEU A 74 -16.724 -7.799 -45.128 1.00 0.00 C ATOM 1086 CG LEU A 74 -16.345 -6.371 -45.540 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -15.284 -5.826 -44.582 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -15.781 -6.374 -46.966 1.00 0.00 C ATOM 0 H LEU A 74 -18.824 -6.676 -44.395 1.00 0.00 H new ATOM 0 HA LEU A 74 -18.068 -8.108 -46.785 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -16.737 -7.882 -44.041 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -15.976 -8.503 -45.493 1.00 0.00 H new ATOM 0 HG LEU A 74 -17.234 -5.741 -45.502 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.015 -4.811 -44.876 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -15.681 -5.817 -43.567 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.399 -6.461 -44.620 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.513 -5.357 -47.254 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.895 -7.007 -47.005 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -16.533 -6.760 -47.654 1.00 0.00 H new