USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 767 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 9 THR OG1 : rot -84:sc= 2.07 USER MOD Set 1.2: A 46 HIS : no HE2:sc= 1.1 K(o=3.2,f=-5.3!) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc=-0.00127 (180deg=-0.0913) USER MOD Single : A 8 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.79) USER MOD Single : A 15 GLN : amide:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.2) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.114) USER MOD Single : A 31 SER OG : rot 180:sc= -0.613 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 44 GLN : amide:sc= 0.875 K(o=0.87,f=-5.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.1) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 81 LYS NZ :NH3+ 169:sc=-0.00702 (180deg=-0.128) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 66:sc= 1.16 USER MOD Single : A 89 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.22) USER MOD Single : A 96 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.84) USER MOD Single : A 99 GLN : amide:sc= 1.12 K(o=1.1,f=-1.2) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -3.498 -5.184 -9.149 1.00 0.00 N ATOM 65 CA LYS A 5 -3.565 -4.015 -10.013 1.00 0.00 C ATOM 66 C LYS A 5 -3.425 -4.427 -11.471 1.00 0.00 C ATOM 67 O LYS A 5 -3.934 -3.760 -12.377 1.00 0.00 O ATOM 68 CB LYS A 5 -2.484 -3.002 -9.632 1.00 0.00 C ATOM 69 CG LYS A 5 -2.673 -2.393 -8.249 1.00 0.00 C ATOM 70 CD LYS A 5 -3.967 -1.596 -8.171 1.00 0.00 C ATOM 71 CE LYS A 5 -4.170 -0.987 -6.794 1.00 0.00 C ATOM 72 NZ LYS A 5 -4.367 -2.021 -5.744 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -4.537 -3.541 -9.880 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.510 -3.490 -9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.471 -2.202 -10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.684 -3.184 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.829 -1.744 -8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.953 -0.805 -8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.809 -2.245 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.306 -0.374 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.036 -0.325 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.652 -1.563 -4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.109 -2.684 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.478 -2.540 -5.597 1.00 0.00 H new ATOM 86 N LEU A 6 -2.769 -5.555 -11.688 1.00 0.00 N ATOM 87 CA LEU A 6 -2.544 -6.052 -13.030 1.00 0.00 C ATOM 88 C LEU A 6 -3.809 -6.715 -13.516 1.00 0.00 C ATOM 89 O LEU A 6 -4.260 -6.489 -14.641 1.00 0.00 O ATOM 90 CB LEU A 6 -1.389 -7.061 -13.058 1.00 0.00 C ATOM 91 CG LEU A 6 0.009 -6.496 -12.815 1.00 0.00 C ATOM 92 CD1 LEU A 6 1.026 -7.621 -12.728 1.00 0.00 C ATOM 93 CD2 LEU A 6 0.391 -5.530 -13.923 1.00 0.00 C ATOM 0 H LEU A 6 -2.383 -6.143 -10.949 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.277 -5.217 -13.678 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.584 -7.826 -12.306 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.393 -7.559 -14.028 1.00 0.00 H new ATOM 0 HG LEU A 6 0.003 -5.956 -11.868 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.017 -7.203 -12.555 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.764 -8.286 -11.905 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.028 -8.183 -13.662 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.390 -5.137 -13.734 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.381 -6.052 -14.880 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.324 -4.707 -13.951 1.00 0.00 H new ATOM 105 N ARG A 7 -4.384 -7.529 -12.639 1.00 0.00 N ATOM 106 CA ARG A 7 -5.606 -8.243 -12.930 1.00 0.00 C ATOM 107 C ARG A 7 -6.788 -7.297 -13.072 1.00 0.00 C ATOM 108 O ARG A 7 -7.611 -7.468 -13.961 1.00 0.00 O ATOM 109 CB ARG A 7 -5.885 -9.285 -11.846 1.00 0.00 C ATOM 110 CG ARG A 7 -7.108 -10.134 -12.122 1.00 0.00 C ATOM 111 CD ARG A 7 -7.307 -11.195 -11.058 1.00 0.00 C ATOM 112 NE ARG A 7 -6.240 -12.205 -11.065 1.00 0.00 N ATOM 113 CZ ARG A 7 -6.429 -13.494 -11.369 1.00 0.00 C ATOM 114 NH1 ARG A 7 -7.641 -13.929 -11.716 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -5.409 -14.341 -11.326 1.00 0.00 N ATOM 0 H ARG A 7 -4.010 -7.708 -11.707 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.473 -8.751 -13.885 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.016 -9.936 -11.747 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.014 -8.777 -10.890 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.991 -9.496 -12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.007 -10.611 -13.097 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.346 -10.719 -10.078 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.268 -11.685 -11.213 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.296 -11.904 -10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.426 -13.278 -11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.783 -14.912 -11.947 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.481 -14.009 -11.061 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.552 -15.324 -11.558 1.00 0.00 H new ATOM 129 N GLN A 8 -6.859 -6.287 -12.214 1.00 0.00 N ATOM 130 CA GLN A 8 -7.977 -5.350 -12.259 1.00 0.00 C ATOM 131 C GLN A 8 -8.014 -4.609 -13.593 1.00 0.00 C ATOM 132 O GLN A 8 -9.067 -4.514 -14.224 1.00 0.00 O ATOM 133 CB GLN A 8 -7.897 -4.354 -11.105 1.00 0.00 C ATOM 134 CG GLN A 8 -9.143 -3.498 -10.954 1.00 0.00 C ATOM 135 CD GLN A 8 -10.375 -4.321 -10.620 1.00 0.00 C ATOM 136 OE1 GLN A 8 -10.284 -5.366 -9.978 1.00 0.00 O ATOM 137 NE2 GLN A 8 -11.528 -3.860 -11.054 1.00 0.00 N ATOM 0 H GLN A 8 -6.168 -6.096 -11.489 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.898 -5.925 -12.158 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.726 -4.899 -10.177 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.035 -3.704 -11.256 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.980 -2.759 -10.170 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.317 -2.948 -11.879 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.562 -2.989 -11.584 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.388 -4.374 -10.861 1.00 0.00 H new ATOM 146 N THR A 9 -6.866 -4.092 -14.032 1.00 0.00 N ATOM 147 CA THR A 9 -6.777 -3.453 -15.337 1.00 0.00 C ATOM 148 C THR A 9 -7.008 -4.458 -16.470 1.00 0.00 C ATOM 149 O THR A 9 -7.370 -4.084 -17.586 1.00 0.00 O ATOM 150 CB THR A 9 -5.415 -2.751 -15.523 1.00 0.00 C ATOM 151 OG1 THR A 9 -4.346 -3.633 -15.136 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.346 -1.479 -14.695 1.00 0.00 C ATOM 0 H THR A 9 -5.993 -4.105 -13.505 1.00 0.00 H new ATOM 0 HA THR A 9 -7.565 -2.701 -15.380 1.00 0.00 H new ATOM 0 HB THR A 9 -5.309 -2.491 -16.576 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.213 -3.580 -14.166 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.377 -1.001 -14.842 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.138 -0.798 -15.008 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.474 -1.724 -13.641 1.00 0.00 H new ATOM 160 N GLY A 10 -6.814 -5.732 -16.163 1.00 0.00 N ATOM 161 CA GLY A 10 -7.054 -6.771 -17.136 1.00 0.00 C ATOM 162 C GLY A 10 -8.535 -7.025 -17.276 1.00 0.00 C ATOM 163 O GLY A 10 -9.065 -7.069 -18.384 1.00 0.00 O ATOM 0 H GLY A 10 -6.493 -6.063 -15.253 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.635 -6.480 -18.099 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.548 -7.687 -16.832 1.00 0.00 H new ATOM 167 N ASP A 11 -9.203 -7.185 -16.133 1.00 0.00 N ATOM 168 CA ASP A 11 -10.654 -7.368 -16.087 1.00 0.00 C ATOM 169 C ASP A 11 -11.356 -6.211 -16.776 1.00 0.00 C ATOM 170 O ASP A 11 -12.313 -6.410 -17.523 1.00 0.00 O ATOM 171 CB ASP A 11 -11.147 -7.479 -14.636 1.00 0.00 C ATOM 172 CG ASP A 11 -10.786 -8.795 -13.979 1.00 0.00 C ATOM 173 OD1 ASP A 11 -11.127 -9.859 -14.541 1.00 0.00 O ATOM 174 OD2 ASP A 11 -10.186 -8.771 -12.881 1.00 0.00 O1- ATOM 0 H ASP A 11 -8.756 -7.191 -15.216 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.891 -8.295 -16.609 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.724 -6.661 -14.052 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.230 -7.357 -14.617 1.00 0.00 H new ATOM 179 N GLU A 12 -10.861 -5.002 -16.536 1.00 0.00 N ATOM 180 CA GLU A 12 -11.420 -3.810 -17.156 1.00 0.00 C ATOM 181 C GLU A 12 -11.311 -3.901 -18.667 1.00 0.00 C ATOM 182 O GLU A 12 -12.283 -3.648 -19.387 1.00 0.00 O ATOM 183 CB GLU A 12 -10.688 -2.559 -16.667 1.00 0.00 C ATOM 184 CG GLU A 12 -11.083 -2.107 -15.276 1.00 0.00 C ATOM 185 CD GLU A 12 -12.506 -1.603 -15.220 1.00 0.00 C ATOM 186 OE1 GLU A 12 -12.854 -0.715 -16.022 1.00 0.00 O ATOM 187 OE2 GLU A 12 -13.278 -2.073 -14.363 1.00 0.00 O1- ATOM 0 H GLU A 12 -10.072 -4.823 -15.915 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.471 -3.741 -16.875 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.615 -2.751 -16.683 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.876 -1.745 -17.367 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.966 -2.937 -14.580 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.407 -1.318 -14.947 1.00 0.00 H new ATOM 194 N LEU A 13 -10.129 -4.270 -19.138 1.00 0.00 N ATOM 195 CA LEU A 13 -9.872 -4.414 -20.558 1.00 0.00 C ATOM 196 C LEU A 13 -10.760 -5.492 -21.186 1.00 0.00 C ATOM 197 O LEU A 13 -11.347 -5.268 -22.237 1.00 0.00 O ATOM 198 CB LEU A 13 -8.391 -4.735 -20.796 1.00 0.00 C ATOM 199 CG LEU A 13 -7.946 -4.825 -22.260 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.169 -3.498 -22.972 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.484 -5.236 -22.343 1.00 0.00 C ATOM 0 H LEU A 13 -9.325 -4.477 -18.546 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.115 -3.467 -21.040 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.791 -3.971 -20.302 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.163 -5.683 -20.310 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.549 -5.584 -22.758 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.847 -3.583 -24.010 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.228 -3.242 -22.941 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.592 -2.717 -22.476 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.182 -5.296 -23.389 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.869 -4.497 -21.829 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.352 -6.210 -21.871 1.00 0.00 H new ATOM 213 N VAL A 14 -10.870 -6.649 -20.535 1.00 0.00 N ATOM 214 CA VAL A 14 -11.689 -7.739 -21.072 1.00 0.00 C ATOM 215 C VAL A 14 -13.170 -7.348 -21.119 1.00 0.00 C ATOM 216 O VAL A 14 -13.832 -7.523 -22.141 1.00 0.00 O ATOM 217 CB VAL A 14 -11.534 -9.047 -20.254 1.00 0.00 C ATOM 218 CG1 VAL A 14 -12.411 -10.148 -20.836 1.00 0.00 C ATOM 219 CG2 VAL A 14 -10.077 -9.493 -20.219 1.00 0.00 C ATOM 0 H VAL A 14 -10.411 -6.856 -19.648 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.328 -7.921 -22.084 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.857 -8.849 -19.232 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.289 -11.058 -20.249 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.455 -9.835 -20.808 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.117 -10.340 -21.868 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.992 -10.412 -19.640 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.726 -9.671 -21.236 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.469 -8.715 -19.756 1.00 0.00 H new ATOM 229 N GLN A 15 -13.677 -6.809 -20.014 1.00 0.00 N ATOM 230 CA GLN A 15 -15.073 -6.365 -19.953 1.00 0.00 C ATOM 231 C GLN A 15 -15.374 -5.304 -21.012 1.00 0.00 C ATOM 232 O GLN A 15 -16.453 -5.292 -21.605 1.00 0.00 O ATOM 233 CB GLN A 15 -15.438 -5.855 -18.552 1.00 0.00 C ATOM 234 CG GLN A 15 -16.056 -6.922 -17.650 1.00 0.00 C ATOM 235 CD GLN A 15 -15.128 -8.092 -17.374 1.00 0.00 C ATOM 236 OE1 GLN A 15 -15.091 -9.063 -18.130 1.00 0.00 O ATOM 237 NE2 GLN A 15 -14.396 -8.021 -16.284 1.00 0.00 N ATOM 0 H GLN A 15 -13.149 -6.668 -19.152 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.695 -7.234 -20.167 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.541 -5.463 -18.073 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.137 -5.024 -18.648 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.343 -6.465 -16.703 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -16.969 -7.294 -18.114 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.455 -7.199 -15.683 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.769 -8.788 -16.040 1.00 0.00 H new ATOM 246 N ALA A 16 -14.436 -4.411 -21.240 1.00 0.00 N ATOM 247 CA ALA A 16 -14.587 -3.407 -22.281 1.00 0.00 C ATOM 248 C ALA A 16 -14.482 -4.045 -23.669 1.00 0.00 C ATOM 249 O ALA A 16 -15.181 -3.656 -24.591 1.00 0.00 O ATOM 250 CB ALA A 16 -13.558 -2.303 -22.115 1.00 0.00 C ATOM 0 H ALA A 16 -13.560 -4.356 -20.721 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.578 -2.964 -22.186 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.689 -1.562 -22.904 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.690 -1.826 -21.144 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.556 -2.727 -22.178 1.00 0.00 H new ATOM 256 N PHE A 17 -13.611 -5.041 -23.785 1.00 0.00 N ATOM 257 CA PHE A 17 -13.365 -5.728 -25.056 1.00 0.00 C ATOM 258 C PHE A 17 -14.587 -6.527 -25.507 1.00 0.00 C ATOM 259 O PHE A 17 -14.958 -6.498 -26.682 1.00 0.00 O ATOM 260 CB PHE A 17 -12.141 -6.647 -24.955 1.00 0.00 C ATOM 261 CG PHE A 17 -11.791 -7.337 -26.248 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.053 -6.681 -27.219 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.203 -8.639 -26.490 1.00 0.00 C ATOM 264 CE1 PHE A 17 -10.732 -7.309 -28.407 1.00 0.00 C ATOM 265 CE2 PHE A 17 -11.886 -9.271 -27.675 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.150 -8.606 -28.634 1.00 0.00 C ATOM 0 H PHE A 17 -13.056 -5.397 -23.007 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.166 -4.961 -25.805 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.284 -6.060 -24.623 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.326 -7.401 -24.190 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.725 -5.667 -27.046 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.779 -9.164 -25.742 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.156 -6.787 -29.157 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.214 -10.285 -27.852 1.00 0.00 H new ATOM 0 HZ PHE A 17 -10.901 -9.099 -29.562 1.00 0.00 H new ATOM 276 N GLN A 18 -15.214 -7.233 -24.577 1.00 0.00 N ATOM 277 CA GLN A 18 -16.395 -8.021 -24.904 1.00 0.00 C ATOM 278 C GLN A 18 -17.536 -7.098 -25.328 1.00 0.00 C ATOM 279 O GLN A 18 -18.284 -7.398 -26.259 1.00 0.00 O ATOM 280 CB GLN A 18 -16.803 -8.922 -23.726 1.00 0.00 C ATOM 281 CG GLN A 18 -17.082 -8.183 -22.434 1.00 0.00 C ATOM 282 CD GLN A 18 -17.301 -9.118 -21.263 1.00 0.00 C ATOM 283 OE1 GLN A 18 -16.740 -10.216 -21.212 1.00 0.00 O ATOM 284 NE2 GLN A 18 -18.108 -8.690 -20.315 1.00 0.00 N ATOM 0 H GLN A 18 -14.929 -7.277 -23.599 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.158 -8.678 -25.741 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.693 -9.484 -24.007 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.010 -9.649 -23.550 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.247 -7.519 -22.212 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.964 -7.555 -22.562 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -18.551 -7.775 -20.397 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -18.290 -9.273 -19.498 1.00 0.00 H new ATOM 293 N ARG A 19 -17.638 -5.962 -24.656 1.00 0.00 N ATOM 294 CA ARG A 19 -18.626 -4.948 -24.996 1.00 0.00 C ATOM 295 C ARG A 19 -18.278 -4.298 -26.331 1.00 0.00 C ATOM 296 O ARG A 19 -19.162 -3.953 -27.116 1.00 0.00 O ATOM 297 CB ARG A 19 -18.723 -3.898 -23.892 1.00 0.00 C ATOM 298 CG ARG A 19 -19.437 -4.393 -22.645 1.00 0.00 C ATOM 299 CD ARG A 19 -19.565 -3.292 -21.608 1.00 0.00 C ATOM 300 NE ARG A 19 -18.260 -2.849 -21.111 1.00 0.00 N ATOM 301 CZ ARG A 19 -17.859 -1.572 -21.075 1.00 0.00 C ATOM 302 NH1 ARG A 19 -18.635 -0.608 -21.569 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -16.676 -1.260 -20.558 1.00 0.00 N ATOM 0 H ARG A 19 -17.043 -5.717 -23.865 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.599 -5.430 -25.090 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.718 -3.573 -23.621 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -19.247 -3.024 -24.278 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -20.428 -4.760 -22.912 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.889 -5.234 -22.220 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -20.094 -2.444 -22.044 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -20.168 -3.649 -20.773 1.00 0.00 H new ATOM 0 HE ARG A 19 -17.614 -3.561 -20.770 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -19.540 -0.841 -21.977 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -18.324 0.363 -21.539 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -16.072 -1.994 -20.188 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.372 -0.287 -20.531 1.00 0.00 H new ATOM 317 N LEU A 20 -16.981 -4.156 -26.577 1.00 0.00 N ATOM 318 CA LEU A 20 -16.468 -3.573 -27.813 1.00 0.00 C ATOM 319 C LEU A 20 -16.924 -4.392 -29.007 1.00 0.00 C ATOM 320 O LEU A 20 -17.313 -3.845 -30.035 1.00 0.00 O ATOM 321 CB LEU A 20 -14.932 -3.541 -27.780 1.00 0.00 C ATOM 322 CG LEU A 20 -14.238 -3.047 -29.054 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.349 -1.540 -29.181 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.783 -3.489 -29.077 1.00 0.00 C ATOM 0 H LEU A 20 -16.252 -4.443 -25.923 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.853 -2.557 -27.903 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.620 -2.905 -26.951 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.573 -4.547 -27.562 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.742 -3.493 -29.911 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.849 -1.214 -30.093 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.400 -1.255 -29.222 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.878 -1.067 -28.320 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.308 -3.129 -29.989 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.264 -3.078 -28.211 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.733 -4.577 -29.047 1.00 0.00 H new ATOM 336 N ARG A 21 -16.890 -5.710 -28.857 1.00 0.00 N ATOM 337 CA ARG A 21 -17.272 -6.595 -29.937 1.00 0.00 C ATOM 338 C ARG A 21 -18.759 -6.503 -30.226 1.00 0.00 C ATOM 339 O ARG A 21 -19.171 -6.506 -31.379 1.00 0.00 O ATOM 340 CB ARG A 21 -16.900 -8.039 -29.652 1.00 0.00 C ATOM 341 CG ARG A 21 -17.298 -8.957 -30.788 1.00 0.00 C ATOM 342 CD ARG A 21 -17.040 -10.404 -30.482 1.00 0.00 C ATOM 343 NE ARG A 21 -17.410 -11.251 -31.610 1.00 0.00 N ATOM 344 CZ ARG A 21 -17.034 -12.524 -31.744 1.00 0.00 C ATOM 345 NH1 ARG A 21 -16.312 -13.110 -30.792 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -17.382 -13.208 -32.821 1.00 0.00 N ATOM 0 H ARG A 21 -16.602 -6.183 -28.000 1.00 0.00 H new ATOM 0 HA ARG A 21 -16.716 -6.265 -30.815 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.825 -8.111 -29.486 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -17.387 -8.365 -28.733 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.357 -8.819 -31.007 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.748 -8.676 -31.686 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.986 -10.547 -30.246 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.607 -10.699 -29.599 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.993 -10.845 -32.342 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.045 -12.586 -29.959 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.025 -14.083 -30.896 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.939 -12.762 -33.550 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.094 -14.181 -32.922 1.00 0.00 H new ATOM 360 N GLU A 22 -19.562 -6.410 -29.173 1.00 0.00 N ATOM 361 CA GLU A 22 -21.005 -6.349 -29.337 1.00 0.00 C ATOM 362 C GLU A 22 -21.381 -5.128 -30.147 1.00 0.00 C ATOM 363 O GLU A 22 -22.105 -5.225 -31.126 1.00 0.00 O ATOM 364 CB GLU A 22 -21.703 -6.321 -27.976 1.00 0.00 C ATOM 365 CG GLU A 22 -21.439 -7.552 -27.122 1.00 0.00 C ATOM 366 CD GLU A 22 -21.789 -8.841 -27.834 1.00 0.00 C ATOM 367 OE1 GLU A 22 -22.994 -9.150 -27.959 1.00 0.00 O ATOM 368 OE2 GLU A 22 -20.863 -9.552 -28.278 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.240 -6.376 -28.206 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.333 -7.242 -29.869 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.378 -5.436 -27.430 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -22.777 -6.223 -28.132 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -20.387 -7.573 -26.837 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -22.018 -7.481 -26.201 1.00 0.00 H new ATOM 375 N ILE A 23 -20.867 -3.985 -29.741 1.00 0.00 N ATOM 376 CA ILE A 23 -21.059 -2.739 -30.464 1.00 0.00 C ATOM 377 C ILE A 23 -20.523 -2.845 -31.901 1.00 0.00 C ATOM 378 O ILE A 23 -21.088 -2.265 -32.835 1.00 0.00 O ATOM 379 CB ILE A 23 -20.382 -1.573 -29.717 1.00 0.00 C ATOM 380 CG1 ILE A 23 -20.989 -1.448 -28.316 1.00 0.00 C ATOM 381 CG2 ILE A 23 -20.549 -0.272 -30.488 1.00 0.00 C ATOM 382 CD1 ILE A 23 -20.249 -0.499 -27.410 1.00 0.00 C ATOM 0 H ILE A 23 -20.302 -3.891 -28.897 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.130 -2.541 -30.519 1.00 0.00 H new ATOM 0 HB ILE A 23 -19.315 -1.777 -29.630 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -22.023 -1.115 -28.408 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.012 -2.434 -27.852 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -20.064 0.538 -29.944 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.093 -0.372 -31.473 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -21.610 -0.049 -30.601 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -20.741 -0.466 -26.438 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -19.222 -0.841 -27.286 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -20.248 0.498 -27.850 1.00 0.00 H new ATOM 394 N PHE A 24 -19.449 -3.611 -32.066 1.00 0.00 N ATOM 395 CA PHE A 24 -18.830 -3.783 -33.372 1.00 0.00 C ATOM 396 C PHE A 24 -19.765 -4.576 -34.282 1.00 0.00 C ATOM 397 O PHE A 24 -20.017 -4.189 -35.422 1.00 0.00 O ATOM 398 CB PHE A 24 -17.477 -4.496 -33.253 1.00 0.00 C ATOM 399 CG PHE A 24 -16.788 -4.699 -34.574 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.004 -3.699 -35.120 1.00 0.00 C ATOM 401 CD2 PHE A 24 -16.934 -5.888 -35.275 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.379 -3.877 -36.336 1.00 0.00 C ATOM 403 CE2 PHE A 24 -16.310 -6.071 -36.491 1.00 0.00 C ATOM 404 CZ PHE A 24 -15.533 -5.065 -37.023 1.00 0.00 C ATOM 0 H PHE A 24 -18.991 -4.121 -31.311 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.653 -2.798 -33.803 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -16.826 -3.917 -32.598 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.627 -5.465 -32.777 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.880 -2.768 -34.588 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -17.543 -6.679 -34.863 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.769 -3.088 -36.751 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -16.430 -7.002 -37.026 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.045 -5.205 -37.976 1.00 0.00 H new ATOM 414 N ASP A 25 -20.290 -5.683 -33.755 1.00 0.00 N ATOM 415 CA ASP A 25 -21.231 -6.522 -34.495 1.00 0.00 C ATOM 416 C ASP A 25 -22.535 -5.770 -34.760 1.00 0.00 C ATOM 417 O ASP A 25 -23.267 -6.084 -35.695 1.00 0.00 O ATOM 418 CB ASP A 25 -21.513 -7.844 -33.746 1.00 0.00 C ATOM 419 CG ASP A 25 -20.380 -8.866 -33.870 1.00 0.00 C ATOM 420 OD1 ASP A 25 -19.741 -9.207 -32.839 1.00 0.00 O ATOM 421 OD2 ASP A 25 -20.142 -9.355 -34.989 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.078 -6.019 -32.816 1.00 0.00 H new ATOM 0 HA ASP A 25 -20.772 -6.769 -35.452 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -21.683 -7.627 -32.691 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -22.433 -8.283 -34.133 1.00 0.00 H new ATOM 426 N LYS A 26 -22.815 -4.769 -33.927 1.00 0.00 N ATOM 427 CA LYS A 26 -24.002 -3.926 -34.094 1.00 0.00 C ATOM 428 C LYS A 26 -23.742 -2.806 -35.108 1.00 0.00 C ATOM 429 O LYS A 26 -24.649 -2.052 -35.462 1.00 0.00 O ATOM 430 CB LYS A 26 -24.441 -3.321 -32.752 1.00 0.00 C ATOM 431 CG LYS A 26 -24.916 -4.342 -31.729 1.00 0.00 C ATOM 432 CD LYS A 26 -25.295 -3.678 -30.415 1.00 0.00 C ATOM 433 CE LYS A 26 -25.728 -4.703 -29.374 1.00 0.00 C ATOM 434 NZ LYS A 26 -26.949 -5.443 -29.785 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.235 -4.520 -33.126 1.00 0.00 H new ATOM 0 HA LYS A 26 -24.804 -4.561 -34.471 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.607 -2.762 -32.329 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.244 -2.607 -32.934 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -25.775 -4.884 -32.125 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.130 -5.076 -31.554 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -24.446 -3.109 -30.036 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.104 -2.967 -30.586 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.917 -5.411 -29.205 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -25.914 -4.198 -28.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -27.302 -6.003 -28.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.680 -4.767 -30.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -26.720 -6.078 -30.576 1.00 0.00 H new ATOM 448 N GLY A 27 -22.501 -2.718 -35.580 1.00 0.00 N ATOM 449 CA GLY A 27 -22.118 -1.696 -36.549 1.00 0.00 C ATOM 450 C GLY A 27 -22.328 -0.263 -36.068 1.00 0.00 C ATOM 451 O GLY A 27 -22.556 0.634 -36.882 1.00 0.00 O ATOM 0 H GLY A 27 -21.743 -3.343 -35.306 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.067 -1.830 -36.805 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.691 -1.847 -37.464 1.00 0.00 H new ATOM 455 N ASP A 28 -22.261 -0.040 -34.764 1.00 0.00 N ATOM 456 CA ASP A 28 -22.449 1.309 -34.226 1.00 0.00 C ATOM 457 C ASP A 28 -21.101 2.005 -34.050 1.00 0.00 C ATOM 458 O ASP A 28 -20.494 1.955 -32.977 1.00 0.00 O ATOM 459 CB ASP A 28 -23.219 1.275 -32.901 1.00 0.00 C ATOM 460 CG ASP A 28 -23.705 2.650 -32.465 1.00 0.00 C ATOM 461 OD1 ASP A 28 -22.922 3.404 -31.857 1.00 0.00 O ATOM 462 OD2 ASP A 28 -24.890 2.974 -32.714 1.00 0.00 O1- ATOM 0 H ASP A 28 -22.081 -0.760 -34.064 1.00 0.00 H new ATOM 0 HA ASP A 28 -23.043 1.878 -34.941 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -24.075 0.607 -33.000 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -22.578 0.858 -32.124 1.00 0.00 H new ATOM 467 N ASP A 29 -20.624 2.616 -35.132 1.00 0.00 N ATOM 468 CA ASP A 29 -19.326 3.317 -35.149 1.00 0.00 C ATOM 469 C ASP A 29 -19.228 4.395 -34.079 1.00 0.00 C ATOM 470 O ASP A 29 -18.143 4.657 -33.560 1.00 0.00 O ATOM 471 CB ASP A 29 -19.068 3.968 -36.516 1.00 0.00 C ATOM 472 CG ASP A 29 -18.948 2.979 -37.653 1.00 0.00 C ATOM 473 OD1 ASP A 29 -17.897 2.321 -37.770 1.00 0.00 O ATOM 474 OD2 ASP A 29 -19.898 2.881 -38.458 1.00 0.00 O1- ATOM 0 H ASP A 29 -21.119 2.644 -36.023 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.574 2.554 -34.945 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.879 4.662 -36.736 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.152 4.556 -36.460 1.00 0.00 H new ATOM 479 N ASP A 30 -20.353 5.005 -33.738 1.00 0.00 N ATOM 480 CA ASP A 30 -20.351 6.107 -32.774 1.00 0.00 C ATOM 481 C ASP A 30 -19.951 5.627 -31.393 1.00 0.00 C ATOM 482 O ASP A 30 -19.064 6.198 -30.759 1.00 0.00 O ATOM 483 CB ASP A 30 -21.721 6.779 -32.709 1.00 0.00 C ATOM 484 CG ASP A 30 -22.109 7.451 -34.004 1.00 0.00 C ATOM 485 OD1 ASP A 30 -21.605 8.562 -34.281 1.00 0.00 O ATOM 486 OD2 ASP A 30 -22.939 6.885 -34.746 1.00 0.00 O1- ATOM 0 H ASP A 30 -21.273 4.763 -34.107 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.616 6.836 -33.116 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.474 6.033 -32.453 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.719 7.519 -31.908 1.00 0.00 H new ATOM 491 N SER A 31 -20.585 4.570 -30.936 1.00 0.00 N ATOM 492 CA SER A 31 -20.274 4.013 -29.643 1.00 0.00 C ATOM 493 C SER A 31 -18.942 3.278 -29.695 1.00 0.00 C ATOM 494 O SER A 31 -18.159 3.323 -28.745 1.00 0.00 O ATOM 495 CB SER A 31 -21.395 3.078 -29.192 1.00 0.00 C ATOM 496 OG SER A 31 -21.188 2.605 -27.869 1.00 0.00 O ATOM 0 H SER A 31 -21.321 4.079 -31.444 1.00 0.00 H new ATOM 0 HA SER A 31 -20.189 4.822 -28.917 1.00 0.00 H new ATOM 0 HB2 SER A 31 -22.349 3.602 -29.245 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.458 2.231 -29.875 1.00 0.00 H new ATOM 0 HG SER A 31 -21.925 2.012 -27.615 1.00 0.00 H new ATOM 502 N LEU A 32 -18.671 2.643 -30.831 1.00 0.00 N ATOM 503 CA LEU A 32 -17.449 1.874 -31.019 1.00 0.00 C ATOM 504 C LEU A 32 -16.220 2.761 -30.876 1.00 0.00 C ATOM 505 O LEU A 32 -15.250 2.380 -30.227 1.00 0.00 O ATOM 506 CB LEU A 32 -17.455 1.223 -32.406 1.00 0.00 C ATOM 507 CG LEU A 32 -16.303 0.267 -32.704 1.00 0.00 C ATOM 508 CD1 LEU A 32 -16.456 -1.018 -31.912 1.00 0.00 C ATOM 509 CD2 LEU A 32 -16.226 -0.025 -34.191 1.00 0.00 C ATOM 0 H LEU A 32 -19.289 2.648 -31.642 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.409 1.102 -30.251 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.392 0.679 -32.526 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.447 2.014 -33.156 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.372 0.745 -32.400 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.625 -1.686 -32.138 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.458 -0.790 -30.846 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.395 -1.502 -32.182 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.399 -0.708 -34.385 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.159 -0.482 -34.521 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.064 0.905 -34.736 1.00 0.00 H new ATOM 521 N GLU A 33 -16.272 3.948 -31.471 1.00 0.00 N ATOM 522 CA GLU A 33 -15.157 4.886 -31.406 1.00 0.00 C ATOM 523 C GLU A 33 -14.839 5.254 -29.958 1.00 0.00 C ATOM 524 O GLU A 33 -13.675 5.279 -29.552 1.00 0.00 O ATOM 525 CB GLU A 33 -15.467 6.145 -32.214 1.00 0.00 C ATOM 526 CG GLU A 33 -14.336 7.159 -32.219 1.00 0.00 C ATOM 527 CD GLU A 33 -14.691 8.418 -32.964 1.00 0.00 C ATOM 528 OE1 GLU A 33 -15.482 9.224 -32.433 1.00 0.00 O ATOM 529 OE2 GLU A 33 -14.171 8.625 -34.077 1.00 0.00 O1- ATOM 0 H GLU A 33 -17.074 4.283 -32.004 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.282 4.400 -31.838 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.693 5.860 -33.242 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.363 6.615 -31.809 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.074 7.411 -31.191 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.452 6.710 -32.672 1.00 0.00 H new ATOM 536 N GLN A 34 -15.878 5.513 -29.179 1.00 0.00 N ATOM 537 CA GLN A 34 -15.706 5.882 -27.781 1.00 0.00 C ATOM 538 C GLN A 34 -15.155 4.717 -26.973 1.00 0.00 C ATOM 539 O GLN A 34 -14.337 4.903 -26.074 1.00 0.00 O ATOM 540 CB GLN A 34 -17.022 6.368 -27.186 1.00 0.00 C ATOM 541 CG GLN A 34 -17.581 7.596 -27.876 1.00 0.00 C ATOM 542 CD GLN A 34 -18.805 8.145 -27.183 1.00 0.00 C ATOM 543 OE1 GLN A 34 -19.577 7.405 -26.570 1.00 0.00 O ATOM 544 NE2 GLN A 34 -18.989 9.442 -27.269 1.00 0.00 N ATOM 0 H GLN A 34 -16.849 5.475 -29.490 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.984 6.698 -27.736 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -17.756 5.564 -27.242 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -16.873 6.591 -26.129 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.813 8.368 -27.914 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -17.833 7.346 -28.907 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -18.325 10.018 -27.787 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -19.796 9.874 -26.818 1.00 0.00 H new ATOM 553 N VAL A 35 -15.596 3.514 -27.300 1.00 0.00 N ATOM 554 CA VAL A 35 -15.113 2.328 -26.619 1.00 0.00 C ATOM 555 C VAL A 35 -13.660 2.050 -26.997 1.00 0.00 C ATOM 556 O VAL A 35 -12.882 1.586 -26.172 1.00 0.00 O ATOM 557 CB VAL A 35 -16.001 1.093 -26.898 1.00 0.00 C ATOM 558 CG1 VAL A 35 -15.467 -0.135 -26.173 1.00 0.00 C ATOM 559 CG2 VAL A 35 -17.426 1.371 -26.459 1.00 0.00 C ATOM 0 H VAL A 35 -16.285 3.335 -28.030 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.166 2.522 -25.548 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.984 0.894 -27.970 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.109 -0.990 -26.385 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.454 -0.348 -26.515 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.456 0.053 -25.099 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.045 0.497 -26.659 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.442 1.591 -25.391 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.817 2.226 -27.011 1.00 0.00 H new ATOM 569 N LEU A 36 -13.292 2.354 -28.245 1.00 0.00 N ATOM 570 CA LEU A 36 -11.905 2.196 -28.691 1.00 0.00 C ATOM 571 C LEU A 36 -10.993 3.076 -27.852 1.00 0.00 C ATOM 572 O LEU A 36 -9.882 2.684 -27.509 1.00 0.00 O ATOM 573 CB LEU A 36 -11.756 2.571 -30.171 1.00 0.00 C ATOM 574 CG LEU A 36 -12.429 1.639 -31.178 1.00 0.00 C ATOM 575 CD1 LEU A 36 -12.326 2.218 -32.579 1.00 0.00 C ATOM 576 CD2 LEU A 36 -11.801 0.254 -31.130 1.00 0.00 C ATOM 0 H LEU A 36 -13.929 2.708 -28.959 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.625 1.150 -28.569 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.158 3.574 -30.312 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.693 2.618 -30.406 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.482 1.547 -30.913 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.809 1.545 -33.287 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.819 3.190 -32.608 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.276 2.335 -32.848 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.294 -0.394 -31.854 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.741 0.327 -31.371 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.918 -0.164 -30.130 1.00 0.00 H new ATOM 588 N GLU A 37 -11.495 4.253 -27.496 1.00 0.00 N ATOM 589 CA GLU A 37 -10.780 5.185 -26.672 1.00 0.00 C ATOM 590 C GLU A 37 -10.562 4.572 -25.291 1.00 0.00 C ATOM 591 O GLU A 37 -9.477 4.677 -24.709 1.00 0.00 O ATOM 592 CB GLU A 37 -11.600 6.466 -26.571 1.00 0.00 C ATOM 593 CG GLU A 37 -11.021 7.500 -25.656 1.00 0.00 C ATOM 594 CD GLU A 37 -11.885 8.738 -25.568 1.00 0.00 C ATOM 595 OE1 GLU A 37 -11.594 9.724 -26.279 1.00 0.00 O ATOM 596 OE2 GLU A 37 -12.870 8.732 -24.799 1.00 0.00 O1- ATOM 0 H GLU A 37 -12.419 4.578 -27.780 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.806 5.415 -27.104 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.703 6.897 -27.567 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.603 6.215 -26.227 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.899 7.073 -24.660 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.027 7.778 -26.008 1.00 0.00 H new ATOM 603 N GLU A 38 -11.604 3.918 -24.788 1.00 0.00 N ATOM 604 CA GLU A 38 -11.556 3.230 -23.508 1.00 0.00 C ATOM 605 C GLU A 38 -10.558 2.083 -23.558 1.00 0.00 C ATOM 606 O GLU A 38 -9.747 1.916 -22.652 1.00 0.00 O ATOM 607 CB GLU A 38 -12.945 2.690 -23.155 1.00 0.00 C ATOM 608 CG GLU A 38 -13.945 3.760 -22.766 1.00 0.00 C ATOM 609 CD GLU A 38 -13.657 4.341 -21.403 1.00 0.00 C ATOM 610 OE1 GLU A 38 -12.854 5.296 -21.313 1.00 0.00 O ATOM 611 OE2 GLU A 38 -14.224 3.836 -20.411 1.00 0.00 O1- ATOM 0 H GLU A 38 -12.506 3.852 -25.259 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.238 3.939 -22.744 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.335 2.136 -24.009 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.849 1.981 -22.332 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.929 4.557 -23.509 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.949 3.336 -22.774 1.00 0.00 H new ATOM 618 N ILE A 39 -10.608 1.316 -24.642 1.00 0.00 N ATOM 619 CA ILE A 39 -9.724 0.170 -24.808 1.00 0.00 C ATOM 620 C ILE A 39 -8.277 0.627 -24.834 1.00 0.00 C ATOM 621 O ILE A 39 -7.437 0.099 -24.107 1.00 0.00 O ATOM 622 CB ILE A 39 -10.027 -0.608 -26.117 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.454 -1.160 -26.105 1.00 0.00 C ATOM 624 CG2 ILE A 39 -9.024 -1.743 -26.310 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.698 -2.214 -25.049 1.00 0.00 C ATOM 0 H ILE A 39 -11.252 1.468 -25.418 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.896 -0.495 -23.962 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.934 0.087 -26.952 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.150 -0.336 -25.948 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.677 -1.583 -27.084 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.252 -2.277 -27.232 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.016 -1.332 -26.368 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.087 -2.431 -25.467 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.732 -2.554 -25.106 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.029 -3.058 -25.216 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.509 -1.791 -24.062 1.00 0.00 H new ATOM 637 N GLU A 40 -7.998 1.636 -25.653 1.00 0.00 N ATOM 638 CA GLU A 40 -6.660 2.189 -25.760 1.00 0.00 C ATOM 639 C GLU A 40 -6.144 2.688 -24.419 1.00 0.00 C ATOM 640 O GLU A 40 -4.988 2.454 -24.073 1.00 0.00 O ATOM 641 CB GLU A 40 -6.627 3.314 -26.797 1.00 0.00 C ATOM 642 CG GLU A 40 -6.818 2.831 -28.226 1.00 0.00 C ATOM 643 CD GLU A 40 -6.598 3.922 -29.247 1.00 0.00 C ATOM 644 OE1 GLU A 40 -5.440 4.374 -29.384 1.00 0.00 O ATOM 645 OE2 GLU A 40 -7.565 4.321 -29.928 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.688 2.087 -26.254 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.000 1.386 -26.087 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.406 4.038 -26.560 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.673 3.837 -26.723 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.127 2.011 -28.423 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.826 2.433 -28.338 1.00 0.00 H new ATOM 652 N GLU A 41 -7.003 3.340 -23.650 1.00 0.00 N ATOM 653 CA GLU A 41 -6.614 3.867 -22.373 1.00 0.00 C ATOM 654 C GLU A 41 -6.360 2.742 -21.367 1.00 0.00 C ATOM 655 O GLU A 41 -5.392 2.786 -20.602 1.00 0.00 O ATOM 656 CB GLU A 41 -7.680 4.817 -21.856 1.00 0.00 C ATOM 657 CG GLU A 41 -7.331 5.428 -20.532 1.00 0.00 C ATOM 658 CD GLU A 41 -8.326 6.461 -20.081 1.00 0.00 C ATOM 659 OE1 GLU A 41 -9.362 6.083 -19.505 1.00 0.00 O ATOM 660 OE2 GLU A 41 -8.072 7.660 -20.286 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.977 3.512 -23.900 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.682 4.418 -22.498 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.836 5.611 -22.586 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.624 4.279 -21.764 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.267 4.641 -19.781 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.344 5.887 -20.598 1.00 0.00 H new ATOM 667 N LEU A 42 -7.216 1.725 -21.387 1.00 0.00 N ATOM 668 CA LEU A 42 -7.082 0.592 -20.480 1.00 0.00 C ATOM 669 C LEU A 42 -5.806 -0.182 -20.769 1.00 0.00 C ATOM 670 O LEU A 42 -5.156 -0.689 -19.851 1.00 0.00 O ATOM 671 CB LEU A 42 -8.304 -0.325 -20.568 1.00 0.00 C ATOM 672 CG LEU A 42 -9.626 0.288 -20.093 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.776 -0.672 -20.326 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.543 0.674 -18.622 1.00 0.00 C ATOM 0 H LEU A 42 -8.011 1.663 -22.023 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.022 0.979 -19.463 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.423 -0.644 -21.603 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.107 -1.221 -19.979 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.810 1.191 -20.675 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.705 -0.217 -19.982 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.854 -0.895 -21.390 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.597 -1.595 -19.774 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.492 1.107 -18.305 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.332 -0.213 -18.025 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.746 1.404 -18.482 1.00 0.00 H new ATOM 686 N ILE A 43 -5.442 -0.268 -22.049 1.00 0.00 N ATOM 687 CA ILE A 43 -4.216 -0.946 -22.439 1.00 0.00 C ATOM 688 C ILE A 43 -3.031 -0.229 -21.834 1.00 0.00 C ATOM 689 O ILE A 43 -2.154 -0.853 -21.243 1.00 0.00 O ATOM 690 CB ILE A 43 -4.029 -0.988 -23.978 1.00 0.00 C ATOM 691 CG1 ILE A 43 -5.122 -1.836 -24.631 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.636 -1.528 -24.337 1.00 0.00 C ATOM 693 CD1 ILE A 43 -5.086 -1.813 -26.146 1.00 0.00 C ATOM 0 H ILE A 43 -5.978 0.122 -22.825 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.285 -1.971 -22.076 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.112 0.029 -24.362 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.023 -2.866 -24.289 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.096 -1.481 -24.294 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.523 -1.550 -25.421 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.873 -0.881 -23.906 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.523 -2.537 -23.940 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.890 -2.436 -26.539 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.216 -0.789 -26.498 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.127 -2.197 -26.493 1.00 0.00 H new ATOM 705 N GLN A 44 -3.028 1.093 -21.960 1.00 0.00 N ATOM 706 CA GLN A 44 -1.939 1.902 -21.450 1.00 0.00 C ATOM 707 C GLN A 44 -1.837 1.771 -19.942 1.00 0.00 C ATOM 708 O GLN A 44 -0.767 1.537 -19.411 1.00 0.00 O ATOM 709 CB GLN A 44 -2.142 3.374 -21.821 1.00 0.00 C ATOM 710 CG GLN A 44 -2.313 3.627 -23.312 1.00 0.00 C ATOM 711 CD GLN A 44 -1.171 3.081 -24.137 1.00 0.00 C ATOM 712 OE1 GLN A 44 -0.043 2.992 -23.671 1.00 0.00 O ATOM 713 NE2 GLN A 44 -1.453 2.722 -25.371 1.00 0.00 N ATOM 0 H GLN A 44 -3.772 1.624 -22.413 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.014 1.544 -21.903 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.021 3.750 -21.298 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.287 3.948 -21.463 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.246 3.174 -23.647 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.399 4.700 -23.486 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.406 2.811 -25.723 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.718 2.354 -25.976 1.00 0.00 H new ATOM 722 N LYS A 45 -2.973 1.870 -19.269 1.00 0.00 N ATOM 723 CA LYS A 45 -3.017 1.786 -17.814 1.00 0.00 C ATOM 724 C LYS A 45 -2.553 0.423 -17.302 1.00 0.00 C ATOM 725 O LYS A 45 -1.934 0.328 -16.242 1.00 0.00 O ATOM 726 CB LYS A 45 -4.408 2.138 -17.291 1.00 0.00 C ATOM 727 CG LYS A 45 -4.755 3.608 -17.478 1.00 0.00 C ATOM 728 CD LYS A 45 -6.125 3.947 -16.921 1.00 0.00 C ATOM 729 CE LYS A 45 -6.382 5.443 -16.987 1.00 0.00 C ATOM 730 NZ LYS A 45 -7.706 5.815 -16.431 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.883 2.009 -19.709 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.314 2.522 -17.424 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.150 1.526 -17.805 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.467 1.888 -16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.002 4.223 -16.986 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.724 3.855 -18.539 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.893 3.417 -17.485 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.196 3.607 -15.888 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.600 5.968 -16.438 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.320 5.774 -18.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.834 6.845 -16.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.456 5.337 -16.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.758 5.525 -15.434 1.00 0.00 H new ATOM 744 N HIS A 46 -2.847 -0.625 -18.051 1.00 0.00 N ATOM 745 CA HIS A 46 -2.429 -1.972 -17.686 1.00 0.00 C ATOM 746 C HIS A 46 -0.940 -2.141 -18.008 1.00 0.00 C ATOM 747 O HIS A 46 -0.180 -2.706 -17.225 1.00 0.00 O ATOM 748 CB HIS A 46 -3.288 -2.988 -18.468 1.00 0.00 C ATOM 749 CG HIS A 46 -2.946 -4.450 -18.289 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.136 -5.155 -17.112 1.00 0.00 N ATOM 751 CD2 HIS A 46 -2.497 -5.350 -19.189 1.00 0.00 C ATOM 752 CE1 HIS A 46 -2.818 -6.426 -17.309 1.00 0.00 C ATOM 753 NE2 HIS A 46 -2.429 -6.573 -18.566 1.00 0.00 N ATOM 0 H HIS A 46 -3.377 -0.571 -18.921 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.570 -2.144 -16.619 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.330 -2.845 -18.180 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.215 -2.749 -19.529 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.468 -4.758 -16.233 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.237 -5.145 -20.217 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.868 -7.211 -16.568 1.00 0.00 H new ATOM 761 N ARG A 47 -0.548 -1.632 -19.170 1.00 0.00 N ATOM 762 CA ARG A 47 0.828 -1.700 -19.653 1.00 0.00 C ATOM 763 C ARG A 47 1.797 -0.881 -18.772 1.00 0.00 C ATOM 764 O ARG A 47 2.933 -1.293 -18.560 1.00 0.00 O ATOM 765 CB ARG A 47 0.870 -1.233 -21.127 1.00 0.00 C ATOM 766 CG ARG A 47 2.200 -1.427 -21.838 1.00 0.00 C ATOM 767 CD ARG A 47 3.089 -0.204 -21.716 1.00 0.00 C ATOM 768 NE ARG A 47 2.522 0.973 -22.390 1.00 0.00 N ATOM 769 CZ ARG A 47 3.033 2.206 -22.298 1.00 0.00 C ATOM 770 NH1 ARG A 47 4.056 2.446 -21.497 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 2.495 3.203 -22.977 1.00 0.00 N ATOM 0 H ARG A 47 -1.182 -1.155 -19.811 1.00 0.00 H new ATOM 0 HA ARG A 47 1.167 -2.734 -19.592 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.100 -1.769 -21.682 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.610 -0.175 -21.162 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.713 -2.292 -21.419 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.021 -1.642 -22.891 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.244 0.025 -20.662 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.068 -0.426 -22.141 1.00 0.00 H new ATOM 0 HE ARG A 47 1.688 0.842 -22.963 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.460 1.689 -20.945 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.442 3.388 -21.431 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.686 3.035 -23.575 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.888 4.141 -22.903 1.00 0.00 H new ATOM 785 N GLN A 48 1.333 0.261 -18.252 1.00 0.00 N ATOM 786 CA GLN A 48 2.173 1.126 -17.393 1.00 0.00 C ATOM 787 C GLN A 48 2.677 0.372 -16.170 1.00 0.00 C ATOM 788 O GLN A 48 3.797 0.594 -15.701 1.00 0.00 O ATOM 789 CB GLN A 48 1.398 2.364 -16.934 1.00 0.00 C ATOM 790 CG GLN A 48 1.074 3.351 -18.040 1.00 0.00 C ATOM 791 CD GLN A 48 0.243 4.519 -17.549 1.00 0.00 C ATOM 792 OE1 GLN A 48 -0.532 4.393 -16.594 1.00 0.00 O ATOM 793 NE2 GLN A 48 0.391 5.658 -18.193 1.00 0.00 N ATOM 0 H GLN A 48 0.388 0.612 -18.405 1.00 0.00 H new ATOM 0 HA GLN A 48 3.027 1.438 -17.994 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.467 2.042 -16.468 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.978 2.876 -16.166 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.002 3.725 -18.472 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.537 2.836 -18.836 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.041 5.720 -18.976 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.145 6.478 -17.908 1.00 0.00 H new ATOM 802 N LEU A 49 1.858 -0.521 -15.661 1.00 0.00 N ATOM 803 CA LEU A 49 2.224 -1.317 -14.507 1.00 0.00 C ATOM 804 C LEU A 49 3.352 -2.274 -14.869 1.00 0.00 C ATOM 805 O LEU A 49 4.231 -2.574 -14.046 1.00 0.00 O ATOM 806 CB LEU A 49 1.012 -2.089 -14.004 1.00 0.00 C ATOM 807 CG LEU A 49 -0.150 -1.234 -13.499 1.00 0.00 C ATOM 808 CD1 LEU A 49 -1.351 -2.101 -13.193 1.00 0.00 C ATOM 809 CD2 LEU A 49 0.262 -0.445 -12.265 1.00 0.00 C ATOM 0 H LEU A 49 0.927 -0.716 -16.030 1.00 0.00 H new ATOM 0 HA LEU A 49 2.571 -0.656 -13.713 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.648 -2.725 -14.811 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.332 -2.748 -13.197 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.422 -0.528 -14.284 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.169 -1.476 -12.835 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.663 -2.623 -14.098 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.088 -2.829 -12.426 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.579 0.157 -11.921 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.562 -1.134 -11.476 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.099 0.208 -12.513 1.00 0.00 H new ATOM 821 N PHE A 50 3.340 -2.721 -16.116 1.00 0.00 N ATOM 822 CA PHE A 50 4.346 -3.631 -16.619 1.00 0.00 C ATOM 823 C PHE A 50 5.664 -2.891 -16.854 1.00 0.00 C ATOM 824 O PHE A 50 6.735 -3.465 -16.718 1.00 0.00 O ATOM 825 CB PHE A 50 3.860 -4.304 -17.911 1.00 0.00 C ATOM 826 CG PHE A 50 4.804 -5.342 -18.456 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.938 -6.571 -17.831 1.00 0.00 C ATOM 828 CD2 PHE A 50 5.551 -5.088 -19.595 1.00 0.00 C ATOM 829 CE1 PHE A 50 5.800 -7.527 -18.331 1.00 0.00 C ATOM 830 CE2 PHE A 50 6.416 -6.041 -20.098 1.00 0.00 C ATOM 831 CZ PHE A 50 6.540 -7.262 -19.466 1.00 0.00 C ATOM 0 H PHE A 50 2.632 -2.461 -16.803 1.00 0.00 H new ATOM 0 HA PHE A 50 4.519 -4.408 -15.874 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.893 -4.771 -17.723 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.702 -3.538 -18.670 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.362 -6.784 -16.943 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.456 -4.135 -20.095 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.895 -8.481 -17.834 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.995 -5.831 -20.985 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.215 -8.008 -19.859 1.00 0.00 H new ATOM 841 N ASP A 51 5.575 -1.604 -17.191 1.00 0.00 N ATOM 842 CA ASP A 51 6.773 -0.784 -17.411 1.00 0.00 C ATOM 843 C ASP A 51 7.548 -0.641 -16.121 1.00 0.00 C ATOM 844 O ASP A 51 8.781 -0.648 -16.112 1.00 0.00 O ATOM 845 CB ASP A 51 6.417 0.628 -17.895 1.00 0.00 C ATOM 846 CG ASP A 51 5.796 0.676 -19.262 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.497 0.398 -20.254 1.00 0.00 O ATOM 848 OD2 ASP A 51 4.618 1.044 -19.359 1.00 0.00 O1- ATOM 0 H ASP A 51 4.693 -1.107 -17.318 1.00 0.00 H new ATOM 0 HA ASP A 51 7.366 -1.290 -18.173 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.730 1.081 -17.181 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.321 1.237 -17.898 1.00 0.00 H new ATOM 969 N GLU A 60 5.562 -16.195 -21.742 1.00 0.00 N ATOM 970 CA GLU A 60 4.747 -16.383 -22.929 1.00 0.00 C ATOM 971 C GLU A 60 3.521 -15.490 -22.866 1.00 0.00 C ATOM 972 O GLU A 60 3.059 -14.987 -23.884 1.00 0.00 O ATOM 973 CB GLU A 60 4.352 -17.851 -23.129 1.00 0.00 C ATOM 974 CG GLU A 60 3.601 -18.101 -24.433 1.00 0.00 C ATOM 975 CD GLU A 60 3.427 -19.569 -24.754 1.00 0.00 C ATOM 976 OE1 GLU A 60 4.356 -20.166 -25.341 1.00 0.00 O ATOM 977 OE2 GLU A 60 2.357 -20.130 -24.455 1.00 0.00 O1- ATOM 0 HA GLU A 60 5.346 -16.098 -23.794 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.251 -18.468 -23.111 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.730 -18.170 -22.293 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.619 -17.631 -24.374 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.137 -17.619 -25.251 1.00 0.00 H new ATOM 984 N ALA A 61 3.013 -15.278 -21.657 1.00 0.00 N ATOM 985 CA ALA A 61 1.857 -14.414 -21.454 1.00 0.00 C ATOM 986 C ALA A 61 2.170 -12.995 -21.916 1.00 0.00 C ATOM 987 O ALA A 61 1.356 -12.357 -22.580 1.00 0.00 O ATOM 988 CB ALA A 61 1.437 -14.419 -19.991 1.00 0.00 C ATOM 0 H ALA A 61 3.384 -15.693 -20.802 1.00 0.00 H new ATOM 0 HA ALA A 61 1.028 -14.798 -22.049 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.573 -13.768 -19.858 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.177 -15.434 -19.691 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.261 -14.058 -19.375 1.00 0.00 H new ATOM 994 N ALA A 62 3.363 -12.512 -21.574 1.00 0.00 N ATOM 995 CA ALA A 62 3.803 -11.192 -22.006 1.00 0.00 C ATOM 996 C ALA A 62 3.974 -11.169 -23.521 1.00 0.00 C ATOM 997 O ALA A 62 3.635 -10.187 -24.184 1.00 0.00 O ATOM 998 CB ALA A 62 5.106 -10.815 -21.316 1.00 0.00 C ATOM 0 H ALA A 62 4.039 -13.016 -21.000 1.00 0.00 H new ATOM 0 HA ALA A 62 3.045 -10.460 -21.729 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.421 -9.826 -21.649 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.956 -10.803 -20.236 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.875 -11.545 -21.567 1.00 0.00 H new ATOM 1004 N LYS A 63 4.485 -12.271 -24.057 1.00 0.00 N ATOM 1005 CA LYS A 63 4.685 -12.420 -25.493 1.00 0.00 C ATOM 1006 C LYS A 63 3.347 -12.342 -26.233 1.00 0.00 C ATOM 1007 O LYS A 63 3.232 -11.665 -27.265 1.00 0.00 O ATOM 1008 CB LYS A 63 5.380 -13.755 -25.786 1.00 0.00 C ATOM 1009 CG LYS A 63 5.632 -14.021 -27.259 1.00 0.00 C ATOM 1010 CD LYS A 63 6.327 -15.355 -27.466 1.00 0.00 C ATOM 1011 CE LYS A 63 6.543 -15.638 -28.941 1.00 0.00 C ATOM 1012 NZ LYS A 63 7.264 -16.914 -29.168 1.00 0.00 N1+ ATOM 0 H LYS A 63 4.771 -13.083 -23.511 1.00 0.00 H new ATOM 0 HA LYS A 63 5.318 -11.606 -25.846 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.333 -13.778 -25.257 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.771 -14.564 -25.382 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.685 -14.014 -27.800 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.244 -13.221 -27.676 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.287 -15.352 -26.949 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.729 -16.152 -27.024 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.578 -15.673 -29.447 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.108 -14.819 -29.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.389 -17.065 -30.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.196 -16.873 -28.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.714 -17.700 -28.766 1.00 0.00 H new ATOM 1026 N GLN A 64 2.339 -13.023 -25.699 1.00 0.00 N ATOM 1027 CA GLN A 64 1.001 -12.988 -26.276 1.00 0.00 C ATOM 1028 C GLN A 64 0.412 -11.595 -26.112 1.00 0.00 C ATOM 1029 O GLN A 64 -0.310 -11.107 -26.978 1.00 0.00 O ATOM 1030 CB GLN A 64 0.095 -14.019 -25.602 1.00 0.00 C ATOM 1031 CG GLN A 64 0.587 -15.453 -25.715 1.00 0.00 C ATOM 1032 CD GLN A 64 -0.282 -16.422 -24.939 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -0.895 -16.060 -23.940 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -0.330 -17.663 -25.385 1.00 0.00 N ATOM 0 H GLN A 64 2.424 -13.606 -24.867 1.00 0.00 H new ATOM 0 HA GLN A 64 1.070 -13.232 -27.336 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.005 -13.763 -24.547 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.900 -13.953 -26.041 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.607 -15.746 -26.765 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.612 -15.513 -25.348 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.194 -17.926 -26.220 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.891 -18.360 -24.895 1.00 0.00 H new ATOM 1043 N GLY A 65 0.741 -10.963 -24.990 1.00 0.00 N ATOM 1044 CA GLY A 65 0.284 -9.612 -24.725 1.00 0.00 C ATOM 1045 C GLY A 65 0.779 -8.636 -25.767 1.00 0.00 C ATOM 1046 O GLY A 65 -0.001 -7.842 -26.291 1.00 0.00 O ATOM 0 H GLY A 65 1.321 -11.367 -24.254 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.806 -9.595 -24.700 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.630 -9.298 -23.740 1.00 0.00 H new ATOM 1050 N ASP A 66 2.070 -8.698 -26.084 1.00 0.00 N ATOM 1051 CA ASP A 66 2.639 -7.846 -27.135 1.00 0.00 C ATOM 1052 C ASP A 66 1.948 -8.101 -28.457 1.00 0.00 C ATOM 1053 O ASP A 66 1.624 -7.170 -29.193 1.00 0.00 O ATOM 1054 CB ASP A 66 4.137 -8.090 -27.307 1.00 0.00 C ATOM 1055 CG ASP A 66 4.981 -7.390 -26.274 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.964 -6.139 -26.235 1.00 0.00 O ATOM 1057 OD2 ASP A 66 5.698 -8.084 -25.518 1.00 0.00 O1- ATOM 0 H ASP A 66 2.740 -9.322 -25.635 1.00 0.00 H new ATOM 0 HA ASP A 66 2.484 -6.812 -26.828 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.331 -9.162 -27.258 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.440 -7.756 -28.299 1.00 0.00 H new ATOM 1062 N GLN A 67 1.725 -9.370 -28.756 1.00 0.00 N ATOM 1063 CA GLN A 67 1.062 -9.760 -29.987 1.00 0.00 C ATOM 1064 C GLN A 67 -0.362 -9.216 -30.026 1.00 0.00 C ATOM 1065 O GLN A 67 -0.806 -8.702 -31.048 1.00 0.00 O ATOM 1066 CB GLN A 67 1.060 -11.280 -30.138 1.00 0.00 C ATOM 1067 CG GLN A 67 0.373 -11.772 -31.400 1.00 0.00 C ATOM 1068 CD GLN A 67 0.462 -13.270 -31.560 1.00 0.00 C ATOM 1069 OE1 GLN A 67 0.530 -14.011 -30.578 1.00 0.00 O ATOM 1070 NE2 GLN A 67 0.463 -13.730 -32.792 1.00 0.00 N ATOM 0 H GLN A 67 1.996 -10.151 -28.158 1.00 0.00 H new ATOM 0 HA GLN A 67 1.615 -9.333 -30.823 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.090 -11.637 -30.134 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.566 -11.721 -29.272 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.675 -11.474 -31.379 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.824 -11.290 -32.267 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.405 -13.083 -33.578 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.522 -14.734 -32.961 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.062 -9.314 -28.900 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.424 -8.806 -28.786 1.00 0.00 C ATOM 1081 C TRP A 68 -2.445 -7.303 -29.059 1.00 0.00 C ATOM 1082 O TRP A 68 -3.343 -6.793 -29.724 1.00 0.00 O ATOM 1083 CB TRP A 68 -2.993 -9.104 -27.391 1.00 0.00 C ATOM 1084 CG TRP A 68 -4.462 -8.818 -27.263 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -5.480 -9.691 -27.499 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.076 -7.583 -26.871 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -6.688 -9.080 -27.286 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -6.470 -7.787 -26.899 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -4.587 -6.329 -26.501 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -7.376 -6.783 -26.572 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -5.488 -5.335 -26.177 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -6.868 -5.566 -26.213 1.00 0.00 C ATOM 0 H TRP A 68 -0.704 -9.744 -28.047 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.048 -9.307 -29.526 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.814 -10.152 -27.152 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.451 -8.512 -26.653 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.354 -10.718 -27.809 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -7.602 -9.519 -27.398 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.524 -6.140 -26.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -8.441 -6.959 -26.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.121 -4.360 -25.890 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -7.545 -4.766 -25.952 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.427 -6.608 -28.562 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.318 -5.171 -28.757 1.00 0.00 C ATOM 1105 C VAL A 69 -1.107 -4.865 -30.235 1.00 0.00 C ATOM 1106 O VAL A 69 -1.742 -3.970 -30.789 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.159 -4.556 -27.927 1.00 0.00 C ATOM 1108 CG1 VAL A 69 0.003 -3.071 -28.234 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.402 -4.761 -26.442 1.00 0.00 C ATOM 0 H VAL A 69 -0.666 -7.019 -28.021 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.249 -4.721 -28.411 1.00 0.00 H new ATOM 0 HB VAL A 69 0.763 -5.066 -28.206 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.821 -2.664 -27.640 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.224 -2.940 -29.293 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.920 -2.546 -27.988 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.420 -4.324 -25.875 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.337 -4.279 -26.156 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.464 -5.828 -26.227 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.236 -5.643 -30.873 1.00 0.00 N ATOM 1120 CA GLN A 70 0.051 -5.477 -32.292 1.00 0.00 C ATOM 1121 C GLN A 70 -1.197 -5.750 -33.120 1.00 0.00 C ATOM 1122 O GLN A 70 -1.500 -5.017 -34.062 1.00 0.00 O ATOM 1123 CB GLN A 70 1.185 -6.408 -32.721 1.00 0.00 C ATOM 1124 CG GLN A 70 2.537 -6.036 -32.139 1.00 0.00 C ATOM 1125 CD GLN A 70 3.585 -7.098 -32.386 1.00 0.00 C ATOM 1126 OE1 GLN A 70 3.722 -8.013 -31.450 1.00 0.00 O flip ATOM 1127 NE2 GLN A 70 4.274 -7.088 -33.410 1.00 0.00 N flip ATOM 0 H GLN A 70 0.285 -6.397 -30.426 1.00 0.00 H new ATOM 0 HA GLN A 70 0.365 -4.447 -32.462 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.939 -7.427 -32.422 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.254 -6.403 -33.809 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.870 -5.094 -32.574 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.435 -5.873 -31.066 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.135 -6.360 -34.111 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.982 -7.808 -33.555 1.00 0.00 H new ATOM 1136 N LEU A 71 -1.923 -6.802 -32.755 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.163 -7.153 -33.429 1.00 0.00 C ATOM 1138 C LEU A 71 -4.178 -6.029 -33.279 1.00 0.00 C ATOM 1139 O LEU A 71 -4.898 -5.703 -34.221 1.00 0.00 O ATOM 1140 CB LEU A 71 -3.742 -8.451 -32.853 1.00 0.00 C ATOM 1141 CG LEU A 71 -2.920 -9.721 -33.080 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -3.518 -10.883 -32.302 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -2.860 -10.055 -34.558 1.00 0.00 C ATOM 0 H LEU A 71 -1.670 -7.428 -31.991 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.947 -7.304 -34.487 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.877 -8.318 -31.780 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.732 -8.604 -33.282 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.906 -9.546 -32.722 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.923 -11.780 -32.473 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.520 -10.646 -31.238 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.541 -11.057 -32.637 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.272 -10.961 -34.703 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.870 -10.214 -34.936 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.395 -9.231 -35.099 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.218 -5.432 -32.092 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.138 -4.343 -31.828 1.00 0.00 C ATOM 1157 C PHE A 72 -4.768 -3.112 -32.644 1.00 0.00 C ATOM 1158 O PHE A 72 -5.643 -2.410 -33.141 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.198 -3.995 -30.339 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.189 -2.906 -30.041 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.547 -3.181 -29.997 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -5.767 -1.603 -29.828 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -8.463 -2.180 -29.747 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -6.678 -0.600 -29.575 1.00 0.00 C ATOM 1165 CZ PHE A 72 -8.027 -0.886 -29.534 1.00 0.00 C ATOM 0 H PHE A 72 -3.624 -5.687 -31.303 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.130 -4.680 -32.130 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.462 -4.887 -29.771 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.209 -3.684 -30.002 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.892 -4.191 -30.160 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.713 -1.371 -29.861 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.518 -2.407 -29.718 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.335 0.411 -29.409 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.741 -0.100 -29.336 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.470 -2.850 -32.775 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.001 -1.727 -33.585 1.00 0.00 C ATOM 1177 C GLN A 73 -3.471 -1.900 -35.016 1.00 0.00 C ATOM 1178 O GLN A 73 -3.966 -0.965 -35.636 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.476 -1.639 -33.555 1.00 0.00 C ATOM 1180 CG GLN A 73 -0.895 -1.396 -32.176 1.00 0.00 C ATOM 1181 CD GLN A 73 0.617 -1.356 -32.185 1.00 0.00 C ATOM 1182 OE1 GLN A 73 1.266 -2.011 -33.000 1.00 0.00 O ATOM 1183 NE2 GLN A 73 1.186 -0.585 -31.286 1.00 0.00 N ATOM 0 H GLN A 73 -2.729 -3.395 -32.335 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.411 -0.806 -33.171 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.062 -2.565 -33.954 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.156 -0.835 -34.218 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.278 -0.454 -31.784 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.231 -2.182 -31.500 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.611 -0.058 -30.628 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.203 -0.513 -31.246 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.327 -3.118 -35.519 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.771 -3.460 -36.862 1.00 0.00 C ATOM 1194 C ARG A 74 -5.286 -3.320 -36.964 1.00 0.00 C ATOM 1195 O ARG A 74 -5.808 -2.849 -37.968 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.341 -4.889 -37.214 1.00 0.00 C ATOM 1197 CG ARG A 74 -1.839 -5.096 -37.162 1.00 0.00 C ATOM 1198 CD ARG A 74 -1.453 -6.554 -37.378 1.00 0.00 C ATOM 1199 NE ARG A 74 -0.019 -6.764 -37.160 1.00 0.00 N ATOM 1200 CZ ARG A 74 0.542 -7.935 -36.833 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -0.192 -9.041 -36.772 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 1.844 -7.998 -36.590 1.00 0.00 N ATOM 0 H ARG A 74 -2.901 -3.893 -35.010 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.309 -2.774 -37.572 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.820 -5.585 -36.525 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.700 -5.133 -38.214 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.362 -4.479 -37.923 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.461 -4.761 -36.196 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.023 -7.188 -36.698 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.717 -6.856 -38.392 1.00 0.00 H new ATOM 0 HE ARG A 74 0.597 -5.958 -37.265 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.191 -9.002 -36.975 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.243 -9.929 -36.522 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.416 -7.156 -36.652 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.274 -8.889 -36.341 1.00 0.00 H new ATOM 1216 N PHE A 75 -5.981 -3.724 -35.906 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.433 -3.628 -35.849 1.00 0.00 C ATOM 1218 C PHE A 75 -7.872 -2.164 -35.865 1.00 0.00 C ATOM 1219 O PHE A 75 -8.741 -1.780 -36.641 1.00 0.00 O ATOM 1220 CB PHE A 75 -7.957 -4.333 -34.589 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.455 -4.322 -34.444 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.246 -5.172 -35.202 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.072 -3.470 -33.540 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.620 -5.170 -35.064 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.446 -3.464 -33.399 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.221 -4.315 -34.161 1.00 0.00 C ATOM 0 H PHE A 75 -5.556 -4.124 -35.070 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.853 -4.121 -36.726 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.613 -5.367 -34.597 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.516 -3.858 -33.713 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.782 -5.844 -35.909 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.471 -2.803 -32.939 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.224 -5.836 -35.662 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.914 -2.794 -32.693 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.295 -4.312 -34.051 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.257 -1.352 -35.012 1.00 0.00 N ATOM 1237 CA ARG A 76 -7.556 0.073 -34.960 1.00 0.00 C ATOM 1238 C ARG A 76 -7.242 0.742 -36.289 1.00 0.00 C ATOM 1239 O ARG A 76 -8.058 1.497 -36.821 1.00 0.00 O ATOM 1240 CB ARG A 76 -6.766 0.755 -33.830 1.00 0.00 C ATOM 1241 CG ARG A 76 -6.820 2.278 -33.880 1.00 0.00 C ATOM 1242 CD ARG A 76 -8.238 2.794 -33.699 1.00 0.00 C ATOM 1243 NE ARG A 76 -8.422 4.119 -34.298 1.00 0.00 N ATOM 1244 CZ ARG A 76 -8.965 5.161 -33.674 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -9.259 5.090 -32.376 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -9.180 6.285 -34.340 1.00 0.00 N ATOM 0 H ARG A 76 -6.547 -1.658 -34.346 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.622 0.182 -34.758 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.157 0.417 -32.870 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.725 0.435 -33.881 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.180 2.691 -33.101 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.425 2.625 -34.835 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.939 2.092 -34.150 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.473 2.841 -32.636 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.112 4.251 -35.261 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.068 4.234 -31.856 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.675 5.892 -31.903 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.930 6.349 -35.327 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.596 7.087 -33.866 1.00 0.00 H new ATOM 1260 N GLU A 77 -6.075 0.427 -36.836 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.626 1.004 -38.082 1.00 0.00 C ATOM 1262 C GLU A 77 -6.588 0.653 -39.198 1.00 0.00 C ATOM 1263 O GLU A 77 -6.859 1.468 -40.079 1.00 0.00 O ATOM 1264 CB GLU A 77 -4.235 0.476 -38.418 1.00 0.00 C ATOM 1265 CG GLU A 77 -3.682 0.993 -39.722 1.00 0.00 C ATOM 1266 CD GLU A 77 -2.416 0.287 -40.134 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -1.319 0.786 -39.813 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -2.508 -0.772 -40.803 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.419 -0.236 -36.423 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.588 2.088 -37.977 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.551 0.745 -37.613 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.270 -0.613 -38.456 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.432 0.873 -40.504 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.485 2.061 -39.631 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.133 -0.544 -39.135 1.00 0.00 N ATOM 1276 CA ALA A 78 -8.051 -1.012 -40.137 1.00 0.00 C ATOM 1277 C ALA A 78 -9.361 -0.249 -40.068 1.00 0.00 C ATOM 1278 O ALA A 78 -10.012 -0.049 -41.084 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.283 -2.506 -40.003 1.00 0.00 C ATOM 0 H ALA A 78 -6.949 -1.214 -38.388 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.607 -0.828 -41.115 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.981 -2.836 -40.772 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.336 -3.033 -40.122 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.698 -2.723 -39.019 1.00 0.00 H new ATOM 1285 N ILE A 79 -9.747 0.205 -38.869 1.00 0.00 N ATOM 1286 CA ILE A 79 -10.991 0.944 -38.711 1.00 0.00 C ATOM 1287 C ILE A 79 -10.808 2.336 -39.292 1.00 0.00 C ATOM 1288 O ILE A 79 -11.702 2.882 -39.942 1.00 0.00 O ATOM 1289 CB ILE A 79 -11.402 1.066 -37.216 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -11.648 -0.319 -36.615 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -12.645 1.941 -37.065 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -12.029 -0.299 -35.152 1.00 0.00 C ATOM 0 H ILE A 79 -9.218 0.072 -38.007 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.780 0.403 -39.233 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.583 1.540 -36.675 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.440 -0.812 -37.179 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.748 -0.921 -36.737 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.914 2.012 -36.011 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -12.438 2.938 -37.455 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -13.471 1.498 -37.621 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -12.186 -1.320 -34.803 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.229 0.163 -34.574 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -12.947 0.274 -35.023 1.00 0.00 H new ATOM 1304 N ASP A 80 -9.620 2.895 -39.064 1.00 0.00 N ATOM 1305 CA ASP A 80 -9.274 4.216 -39.571 1.00 0.00 C ATOM 1306 C ASP A 80 -9.202 4.182 -41.095 1.00 0.00 C ATOM 1307 O ASP A 80 -9.558 5.143 -41.771 1.00 0.00 O ATOM 1308 CB ASP A 80 -7.921 4.693 -38.996 1.00 0.00 C ATOM 1309 CG ASP A 80 -7.939 4.928 -37.488 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -8.662 5.836 -37.024 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -7.210 4.228 -36.764 1.00 0.00 O1- ATOM 0 H ASP A 80 -8.878 2.447 -38.527 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.047 4.917 -39.256 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.157 3.952 -39.229 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.631 5.618 -39.495 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.730 3.061 -41.626 1.00 0.00 N ATOM 1317 CA LYS A 81 -8.621 2.881 -43.072 1.00 0.00 C ATOM 1318 C LYS A 81 -9.936 2.385 -43.681 1.00 0.00 C ATOM 1319 O LYS A 81 -10.060 2.279 -44.904 1.00 0.00 O ATOM 1320 CB LYS A 81 -7.490 1.898 -43.410 1.00 0.00 C ATOM 1321 CG LYS A 81 -6.113 2.331 -42.916 1.00 0.00 C ATOM 1322 CD LYS A 81 -5.716 3.683 -43.481 1.00 0.00 C ATOM 1323 CE LYS A 81 -4.326 4.098 -43.020 1.00 0.00 C ATOM 1324 NZ LYS A 81 -3.263 3.203 -43.558 1.00 0.00 N1+ ATOM 0 H LYS A 81 -8.416 2.260 -41.078 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.393 3.856 -43.503 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.729 0.926 -42.979 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.450 1.766 -44.491 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.115 2.377 -41.827 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.372 1.585 -43.202 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.742 3.645 -44.570 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.442 4.435 -43.171 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.131 5.122 -43.337 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.289 4.089 -41.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.330 3.624 -43.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.321 2.276 -43.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.396 3.083 -44.583 1.00 0.00 H new ATOM 1338 N GLY A 82 -10.916 2.093 -42.832 1.00 0.00 N ATOM 1339 CA GLY A 82 -12.196 1.595 -43.312 1.00 0.00 C ATOM 1340 C GLY A 82 -12.110 0.200 -43.908 1.00 0.00 C ATOM 1341 O GLY A 82 -12.945 -0.180 -44.730 1.00 0.00 O ATOM 0 H GLY A 82 -10.848 2.192 -41.819 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.908 1.587 -42.487 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.587 2.281 -44.064 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.124 -0.570 -43.486 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.902 -1.903 -44.031 1.00 0.00 C ATOM 1347 C ASP A 83 -11.672 -2.939 -43.228 1.00 0.00 C ATOM 1348 O ASP A 83 -11.232 -3.367 -42.164 1.00 0.00 O ATOM 1349 CB ASP A 83 -9.411 -2.243 -44.042 1.00 0.00 C ATOM 1350 CG ASP A 83 -9.101 -3.468 -44.879 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -9.311 -4.597 -44.401 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -8.634 -3.299 -46.025 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.459 -0.296 -42.763 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.265 -1.916 -45.059 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.850 -1.392 -44.428 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.072 -2.410 -43.020 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.827 -3.328 -43.740 1.00 0.00 N ATOM 1358 CA LYS A 84 -13.696 -4.259 -43.030 1.00 0.00 C ATOM 1359 C LYS A 84 -13.154 -5.686 -43.097 1.00 0.00 C ATOM 1360 O LYS A 84 -13.420 -6.504 -42.211 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.143 -4.190 -43.538 1.00 0.00 C ATOM 1362 CG LYS A 84 -15.298 -4.344 -45.041 1.00 0.00 C ATOM 1363 CD LYS A 84 -16.764 -4.492 -45.440 1.00 0.00 C ATOM 1364 CE LYS A 84 -17.603 -3.311 -44.964 1.00 0.00 C ATOM 1365 NZ LYS A 84 -19.029 -3.460 -45.342 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.187 -3.016 -44.642 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.706 -3.955 -41.983 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.724 -4.970 -43.045 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.573 -3.234 -43.238 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.869 -3.477 -45.543 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.738 -5.216 -45.378 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.839 -4.577 -46.524 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.164 -5.415 -45.019 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.522 -3.221 -43.881 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.208 -2.389 -45.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -19.566 -2.638 -45.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.109 -3.521 -46.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.413 -4.326 -44.914 1.00 0.00 H new ATOM 1379 N ASP A 85 -12.375 -5.970 -44.142 1.00 0.00 N ATOM 1380 CA ASP A 85 -11.800 -7.304 -44.343 1.00 0.00 C ATOM 1381 C ASP A 85 -10.868 -7.661 -43.206 1.00 0.00 C ATOM 1382 O ASP A 85 -10.972 -8.739 -42.615 1.00 0.00 O ATOM 1383 CB ASP A 85 -11.030 -7.383 -45.669 1.00 0.00 C ATOM 1384 CG ASP A 85 -11.921 -7.280 -46.885 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -12.429 -8.317 -47.346 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -12.107 -6.154 -47.402 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.127 -5.294 -44.864 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.627 -8.013 -44.371 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.291 -6.583 -45.700 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.482 -8.325 -45.707 1.00 0.00 H new ATOM 1391 N SER A 86 -9.964 -6.753 -42.893 1.00 0.00 N ATOM 1392 CA SER A 86 -9.008 -6.971 -41.832 1.00 0.00 C ATOM 1393 C SER A 86 -9.699 -7.019 -40.475 1.00 0.00 C ATOM 1394 O SER A 86 -9.298 -7.776 -39.601 1.00 0.00 O ATOM 1395 CB SER A 86 -7.947 -5.868 -41.834 1.00 0.00 C ATOM 1396 OG SER A 86 -7.330 -5.753 -43.107 1.00 0.00 O ATOM 0 H SER A 86 -9.874 -5.853 -43.364 1.00 0.00 H new ATOM 0 HA SER A 86 -8.525 -7.932 -42.009 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.406 -4.918 -41.562 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.192 -6.085 -41.079 1.00 0.00 H new ATOM 0 HG SER A 86 -7.990 -5.449 -43.764 1.00 0.00 H new ATOM 1402 N LEU A 87 -10.767 -6.245 -40.325 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.460 -6.140 -39.046 1.00 0.00 C ATOM 1404 C LEU A 87 -12.033 -7.470 -38.595 1.00 0.00 C ATOM 1405 O LEU A 87 -11.836 -7.870 -37.453 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.567 -5.092 -39.115 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.103 -3.658 -39.328 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.289 -2.714 -39.416 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.174 -3.237 -38.211 1.00 0.00 C ATOM 0 H LEU A 87 -11.172 -5.681 -41.072 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.719 -5.831 -38.309 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.246 -5.359 -39.925 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.142 -5.135 -38.190 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.560 -3.610 -40.272 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.933 -1.695 -39.568 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.924 -3.005 -40.253 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.863 -2.763 -38.490 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.849 -2.210 -38.375 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.698 -3.304 -37.257 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.304 -3.894 -38.194 1.00 0.00 H new ATOM 1421 N GLU A 88 -12.732 -8.156 -39.488 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.339 -9.442 -39.154 1.00 0.00 C ATOM 1423 C GLU A 88 -12.297 -10.457 -38.681 1.00 0.00 C ATOM 1424 O GLU A 88 -12.466 -11.094 -37.644 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.078 -9.993 -40.371 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.217 -9.110 -40.854 1.00 0.00 C ATOM 1427 CD GLU A 88 -15.885 -9.653 -42.098 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -16.123 -8.870 -43.042 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -16.178 -10.868 -42.137 1.00 0.00 O1- ATOM 0 H GLU A 88 -12.894 -7.847 -40.447 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.039 -9.277 -38.335 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.366 -10.128 -41.185 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.474 -10.979 -40.127 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.958 -9.013 -40.061 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.835 -8.110 -41.058 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.217 -10.575 -39.425 1.00 0.00 N ATOM 1437 CA GLN A 89 -10.158 -11.520 -39.087 1.00 0.00 C ATOM 1438 C GLN A 89 -9.402 -11.109 -37.823 1.00 0.00 C ATOM 1439 O GLN A 89 -9.150 -11.935 -36.945 1.00 0.00 O ATOM 1440 CB GLN A 89 -9.196 -11.708 -40.264 1.00 0.00 C ATOM 1441 CG GLN A 89 -9.668 -12.731 -41.301 1.00 0.00 C ATOM 1442 CD GLN A 89 -11.032 -12.407 -41.889 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -12.066 -12.836 -41.374 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -11.042 -11.658 -42.967 1.00 0.00 N ATOM 0 H GLN A 89 -11.044 -10.030 -40.270 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.636 -12.477 -38.878 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.051 -10.747 -40.758 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.225 -12.019 -39.879 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.936 -12.785 -42.107 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.705 -13.717 -40.838 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.164 -11.322 -43.363 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.928 -11.412 -43.409 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.076 -9.830 -37.720 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.320 -9.328 -36.578 1.00 0.00 C ATOM 1455 C LEU A 90 -9.140 -9.394 -35.296 1.00 0.00 C ATOM 1456 O LEU A 90 -8.602 -9.665 -34.228 1.00 0.00 O ATOM 1457 CB LEU A 90 -7.827 -7.905 -36.834 1.00 0.00 C ATOM 1458 CG LEU A 90 -6.763 -7.767 -37.928 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.516 -6.308 -38.251 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -5.466 -8.445 -37.503 1.00 0.00 C ATOM 0 H LEU A 90 -9.321 -9.120 -38.410 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.451 -9.973 -36.449 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.682 -7.285 -37.102 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.422 -7.506 -35.904 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.132 -8.261 -38.827 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.757 -6.231 -39.030 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.442 -5.851 -38.600 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.171 -5.791 -37.356 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.723 -8.336 -38.293 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.095 -7.981 -36.589 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.651 -9.504 -37.322 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.441 -9.157 -35.407 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.333 -9.217 -34.254 1.00 0.00 C ATOM 1474 C LEU A 91 -11.339 -10.618 -33.652 1.00 0.00 C ATOM 1475 O LEU A 91 -11.245 -10.783 -32.432 1.00 0.00 O ATOM 1476 CB LEU A 91 -12.756 -8.831 -34.667 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.823 -8.918 -33.574 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.596 -7.857 -32.506 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -15.209 -8.792 -34.180 1.00 0.00 C ATOM 0 H LEU A 91 -10.903 -8.921 -36.285 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.971 -8.513 -33.505 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.737 -7.810 -35.047 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.059 -9.473 -35.494 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.745 -9.893 -33.094 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.368 -7.940 -31.741 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.616 -8.003 -32.051 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -13.641 -6.867 -32.961 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.958 -8.856 -33.391 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -15.298 -7.832 -34.688 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.367 -9.598 -34.897 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.434 -11.619 -34.512 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.450 -12.999 -34.069 1.00 0.00 C ATOM 1493 C GLU A 92 -10.108 -13.401 -33.467 1.00 0.00 C ATOM 1494 O GLU A 92 -10.058 -14.113 -32.463 1.00 0.00 O ATOM 1495 CB GLU A 92 -11.838 -13.931 -35.215 1.00 0.00 C ATOM 1496 CG GLU A 92 -13.261 -13.718 -35.708 1.00 0.00 C ATOM 1497 CD GLU A 92 -13.662 -14.697 -36.785 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -13.793 -14.285 -37.953 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -13.856 -15.887 -36.468 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.501 -11.499 -35.523 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.204 -13.091 -33.287 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.147 -13.782 -36.045 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.725 -14.965 -34.888 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.949 -13.809 -34.867 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.359 -12.703 -36.092 1.00 0.00 H new ATOM 1506 N GLU A 93 -9.021 -12.924 -34.065 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.689 -13.222 -33.558 1.00 0.00 C ATOM 1508 C GLU A 93 -7.438 -12.522 -32.230 1.00 0.00 C ATOM 1509 O GLU A 93 -6.791 -13.076 -31.347 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.619 -12.848 -34.574 1.00 0.00 C ATOM 1511 CG GLU A 93 -6.621 -13.739 -35.800 1.00 0.00 C ATOM 1512 CD GLU A 93 -5.546 -13.370 -36.788 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -4.379 -13.769 -36.584 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -5.860 -12.700 -37.786 1.00 0.00 O1- ATOM 0 H GLU A 93 -9.037 -12.333 -34.896 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.634 -14.297 -33.389 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.768 -11.814 -34.884 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.640 -12.900 -34.097 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.485 -14.775 -35.491 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.594 -13.677 -36.288 1.00 0.00 H new ATOM 1521 N LEU A 94 -7.965 -11.309 -32.088 1.00 0.00 N ATOM 1522 CA LEU A 94 -7.843 -10.565 -30.836 1.00 0.00 C ATOM 1523 C LEU A 94 -8.550 -11.308 -29.723 1.00 0.00 C ATOM 1524 O LEU A 94 -8.031 -11.440 -28.614 1.00 0.00 O ATOM 1525 CB LEU A 94 -8.449 -9.166 -30.972 1.00 0.00 C ATOM 1526 CG LEU A 94 -7.580 -8.118 -31.656 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.388 -6.865 -31.932 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.383 -7.787 -30.784 1.00 0.00 C ATOM 0 H LEU A 94 -8.479 -10.821 -32.821 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.783 -10.469 -30.601 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.384 -9.250 -31.526 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.701 -8.804 -29.975 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.225 -8.520 -32.605 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.755 -6.124 -32.421 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.228 -7.110 -32.582 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.762 -6.459 -30.992 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.767 -7.037 -31.281 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.727 -7.397 -29.826 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.793 -8.689 -30.618 1.00 0.00 H new ATOM 1540 N GLU A 95 -9.739 -11.786 -30.030 1.00 0.00 N ATOM 1541 CA GLU A 95 -10.539 -12.537 -29.087 1.00 0.00 C ATOM 1542 C GLU A 95 -9.813 -13.831 -28.688 1.00 0.00 C ATOM 1543 O GLU A 95 -9.749 -14.178 -27.509 1.00 0.00 O ATOM 1544 CB GLU A 95 -11.910 -12.836 -29.719 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.022 -13.186 -28.733 1.00 0.00 C ATOM 1546 CD GLU A 95 -12.904 -14.581 -28.168 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -12.885 -15.544 -28.959 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -12.873 -14.725 -26.938 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.178 -11.664 -30.943 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.691 -11.952 -28.180 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.221 -11.967 -30.299 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.796 -13.663 -30.420 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.010 -12.468 -27.913 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.986 -13.084 -29.232 1.00 0.00 H new ATOM 1555 N GLN A 96 -9.221 -14.508 -29.669 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.530 -15.768 -29.420 1.00 0.00 C ATOM 1557 C GLN A 96 -7.244 -15.529 -28.622 1.00 0.00 C ATOM 1558 O GLN A 96 -6.889 -16.308 -27.742 1.00 0.00 O ATOM 1559 CB GLN A 96 -8.212 -16.467 -30.744 1.00 0.00 C ATOM 1560 CG GLN A 96 -7.771 -17.913 -30.587 1.00 0.00 C ATOM 1561 CD GLN A 96 -8.829 -18.770 -29.915 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -10.026 -18.510 -30.035 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -8.398 -19.793 -29.210 1.00 0.00 N ATOM 0 H GLN A 96 -9.207 -14.204 -30.643 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.185 -16.411 -28.832 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.095 -16.434 -31.382 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.427 -15.912 -31.257 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.540 -18.328 -31.568 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.852 -17.949 -30.001 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.397 -19.975 -29.135 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.064 -20.404 -28.738 1.00 0.00 H new ATOM 1572 N ALA A 97 -6.559 -14.439 -28.945 1.00 0.00 N ATOM 1573 CA ALA A 97 -5.325 -14.069 -28.262 1.00 0.00 C ATOM 1574 C ALA A 97 -5.615 -13.706 -26.810 1.00 0.00 C ATOM 1575 O ALA A 97 -4.801 -13.953 -25.921 1.00 0.00 O ATOM 1576 CB ALA A 97 -4.637 -12.921 -28.984 1.00 0.00 C ATOM 0 H ALA A 97 -6.840 -13.791 -29.681 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.649 -14.924 -28.273 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.718 -12.660 -28.459 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.399 -13.223 -30.004 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.300 -12.056 -29.007 1.00 0.00 H new ATOM 1582 N LEU A 98 -6.794 -13.146 -26.581 1.00 0.00 N ATOM 1583 CA LEU A 98 -7.225 -12.789 -25.239 1.00 0.00 C ATOM 1584 C LEU A 98 -7.467 -14.068 -24.443 1.00 0.00 C ATOM 1585 O LEU A 98 -7.125 -14.164 -23.258 1.00 0.00 O ATOM 1586 CB LEU A 98 -8.500 -11.917 -25.305 1.00 0.00 C ATOM 1587 CG LEU A 98 -9.046 -11.370 -23.972 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -9.832 -10.095 -24.213 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -9.937 -12.400 -23.281 1.00 0.00 C ATOM 0 H LEU A 98 -7.472 -12.929 -27.312 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.452 -12.204 -24.740 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.297 -11.070 -25.960 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.287 -12.504 -25.778 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.197 -11.155 -23.323 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.213 -9.718 -23.264 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.182 -9.347 -24.666 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.667 -10.303 -24.882 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.309 -11.988 -22.343 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.779 -12.646 -23.928 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.360 -13.302 -23.078 1.00 0.00 H new ATOM 1601 N GLN A 99 -8.045 -15.055 -25.119 1.00 0.00 N ATOM 1602 CA GLN A 99 -8.305 -16.359 -24.527 1.00 0.00 C ATOM 1603 C GLN A 99 -7.011 -17.054 -24.133 1.00 0.00 C ATOM 1604 O GLN A 99 -6.981 -17.823 -23.173 1.00 0.00 O ATOM 1605 CB GLN A 99 -9.088 -17.251 -25.493 1.00 0.00 C ATOM 1606 CG GLN A 99 -10.493 -16.771 -25.782 1.00 0.00 C ATOM 1607 CD GLN A 99 -11.340 -16.648 -24.531 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -11.142 -17.368 -23.549 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -12.300 -15.758 -24.567 1.00 0.00 N ATOM 0 H GLN A 99 -8.345 -14.972 -26.090 1.00 0.00 H new ATOM 0 HA GLN A 99 -8.901 -16.193 -23.630 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.539 -17.319 -26.432 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -9.138 -18.258 -25.080 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.446 -15.803 -26.280 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.973 -17.463 -26.474 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.430 -15.182 -25.399 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.917 -15.641 -23.763 1.00 0.00 H new ATOM 1618 N LYS A 100 -5.937 -16.772 -24.864 1.00 0.00 N ATOM 1619 CA LYS A 100 -4.657 -17.406 -24.607 1.00 0.00 C ATOM 1620 C LYS A 100 -4.047 -16.870 -23.324 1.00 0.00 C ATOM 1621 O LYS A 100 -3.544 -17.631 -22.491 1.00 0.00 O ATOM 1622 CB LYS A 100 -3.695 -17.177 -25.775 1.00 0.00 C ATOM 1623 CG LYS A 100 -4.124 -17.830 -27.077 1.00 0.00 C ATOM 1624 CD LYS A 100 -3.060 -17.661 -28.149 1.00 0.00 C ATOM 1625 CE LYS A 100 -3.489 -18.288 -29.464 1.00 0.00 C ATOM 1626 NZ LYS A 100 -2.414 -18.218 -30.488 1.00 0.00 N1+ ATOM 0 H LYS A 100 -5.932 -16.108 -25.638 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.826 -18.477 -24.498 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.589 -16.104 -25.938 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.711 -17.556 -25.499 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.312 -18.891 -26.911 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.061 -17.389 -27.417 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.859 -16.600 -28.299 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.129 -18.118 -27.814 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.764 -19.329 -29.297 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.378 -17.779 -29.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.746 -18.656 -31.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.169 -17.223 -30.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.574 -18.725 -30.144 1.00 0.00 H new ATOM 1640 N ILE A 101 -4.111 -15.557 -23.165 1.00 0.00 N ATOM 1641 CA ILE A 101 -3.551 -14.900 -22.000 1.00 0.00 C ATOM 1642 C ILE A 101 -4.339 -15.271 -20.751 1.00 0.00 C ATOM 1643 O ILE A 101 -3.755 -15.594 -19.710 1.00 0.00 O ATOM 1644 CB ILE A 101 -3.520 -13.365 -22.180 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.636 -13.007 -23.378 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -3.005 -12.685 -20.911 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -2.624 -11.536 -23.718 1.00 0.00 C ATOM 0 H ILE A 101 -4.549 -14.924 -23.834 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.523 -15.245 -21.884 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.533 -13.009 -22.366 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.615 -13.330 -23.172 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.978 -13.567 -24.248 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.990 -11.605 -21.057 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.661 -12.929 -20.075 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.996 -13.035 -20.694 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.975 -11.366 -24.577 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.636 -11.210 -23.958 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.252 -10.968 -22.865 1.00 0.00 H new ATOM 1659 N ARG A 102 -5.673 -15.242 -20.853 1.00 0.00 N ATOM 1660 CA ARG A 102 -6.526 -15.638 -19.740 1.00 0.00 C ATOM 1661 C ARG A 102 -6.236 -17.081 -19.340 1.00 0.00 C ATOM 1662 O ARG A 102 -6.220 -17.415 -18.160 1.00 0.00 O ATOM 1663 CB ARG A 102 -8.008 -15.496 -20.114 1.00 0.00 C ATOM 1664 CG ARG A 102 -8.958 -15.892 -18.989 1.00 0.00 C ATOM 1665 CD ARG A 102 -10.375 -16.123 -19.493 1.00 0.00 C ATOM 1666 NE ARG A 102 -11.041 -14.895 -19.924 1.00 0.00 N ATOM 1667 CZ ARG A 102 -12.185 -14.868 -20.617 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -12.781 -16.006 -20.971 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -12.738 -13.703 -20.942 1.00 0.00 N ATOM 0 H ARG A 102 -6.177 -14.950 -21.690 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.311 -14.980 -18.898 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.206 -14.463 -20.399 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.215 -16.113 -20.988 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.592 -16.799 -18.508 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.966 -15.110 -18.230 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.347 -16.825 -20.326 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.963 -16.589 -18.703 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.607 -14.004 -19.682 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.365 -16.901 -20.714 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.653 -15.982 -21.499 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.290 -12.830 -20.663 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.610 -13.682 -21.470 1.00 0.00 H new ATOM 1683 N GLU A 103 -5.985 -17.924 -20.340 1.00 0.00 N ATOM 1684 CA GLU A 103 -5.687 -19.330 -20.112 1.00 0.00 C ATOM 1685 C GLU A 103 -4.435 -19.474 -19.258 1.00 0.00 C ATOM 1686 O GLU A 103 -4.425 -20.212 -18.293 1.00 0.00 O ATOM 1687 CB GLU A 103 -5.481 -20.041 -21.454 1.00 0.00 C ATOM 1688 CG GLU A 103 -5.172 -21.528 -21.344 1.00 0.00 C ATOM 1689 CD GLU A 103 -6.341 -22.332 -20.831 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -7.366 -22.416 -21.539 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -6.239 -22.894 -19.727 1.00 0.00 O1- ATOM 0 H GLU A 103 -5.983 -17.651 -21.323 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.526 -19.785 -19.586 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.379 -19.914 -22.059 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.666 -19.553 -21.987 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.878 -21.907 -22.323 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.320 -21.669 -20.679 1.00 0.00 H new ATOM 1698 N LEU A 104 -3.401 -18.726 -19.606 1.00 0.00 N ATOM 1699 CA LEU A 104 -2.132 -18.794 -18.887 1.00 0.00 C ATOM 1700 C LEU A 104 -2.257 -18.255 -17.466 1.00 0.00 C ATOM 1701 O LEU A 104 -1.676 -18.810 -16.534 1.00 0.00 O ATOM 1702 CB LEU A 104 -1.032 -18.050 -19.647 1.00 0.00 C ATOM 1703 CG LEU A 104 -0.618 -18.666 -20.986 1.00 0.00 C ATOM 1704 CD1 LEU A 104 0.513 -17.872 -21.610 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -0.210 -20.121 -20.806 1.00 0.00 C ATOM 0 H LEU A 104 -3.412 -18.064 -20.381 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.856 -19.846 -18.819 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.367 -17.028 -19.826 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.151 -17.990 -19.008 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.476 -18.631 -21.657 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.794 -18.325 -22.561 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.187 -16.846 -21.779 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.372 -17.874 -20.939 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.080 -20.539 -21.770 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.632 -20.180 -20.116 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.050 -20.687 -20.403 1.00 0.00 H new ATOM 1717 N ALA A 105 -3.032 -17.198 -17.298 1.00 0.00 N ATOM 1718 CA ALA A 105 -3.208 -16.585 -15.985 1.00 0.00 C ATOM 1719 C ALA A 105 -4.078 -17.454 -15.079 1.00 0.00 C ATOM 1720 O ALA A 105 -3.943 -17.428 -13.853 1.00 0.00 O ATOM 1721 CB ALA A 105 -3.813 -15.195 -16.128 1.00 0.00 C ATOM 0 H ALA A 105 -3.550 -16.744 -18.050 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.226 -16.497 -15.521 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.939 -14.750 -15.141 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.151 -14.570 -16.727 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.783 -15.269 -16.619 1.00 0.00 H new