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 81:sc= 1.26 USER MOD Set 1.2: A 46 HIS : no HD1:sc= 0.865 K(o=2.1,f=-4.2!) USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= -0.0105 (180deg=-0.116) USER MOD Single : A 8 GLN : amide:sc= -0.0249 K(o=-0.025,f=-0.61) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 18 GLN : amide:sc= -0.136 K(o=-0.14,f=-3.8!) USER MOD Single : A 26 LYS NZ :NH3+ -136:sc= 1.28 (180deg=0.134) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.487 K(o=0.49,f=-0.072) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= 1.25 (180deg=0.541) USER MOD Single : A 48 GLN : amide:sc= -1.43 K(o=-1.4,f=-6.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.9) USER MOD Single : A 67 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.89) USER MOD Single : A 70 GLN : amide:sc= -0.301 K(o=-0.3,f=-1) USER MOD Single : A 73 GLN : amide:sc= 0.914 K(o=0.91,f=-1.5) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= 0.528 (180deg=0.308) USER MOD Single : A 86 SER OG : rot 50:sc= 1.13 USER MOD Single : A 89 GLN : amide:sc= -0.059 X(o=-0.059,f=-0.056) USER MOD Single : A 96 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.3) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 100 LYS NZ :NH3+ -152:sc= 0.514 (180deg=0.0551) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -5.065 -4.635 -8.509 1.00 0.00 N ATOM 65 CA LYS A 5 -5.455 -3.674 -9.526 1.00 0.00 C ATOM 66 C LYS A 5 -5.144 -4.238 -10.902 1.00 0.00 C ATOM 67 O LYS A 5 -5.922 -4.083 -11.837 1.00 0.00 O ATOM 68 CB LYS A 5 -4.718 -2.351 -9.334 1.00 0.00 C ATOM 69 CG LYS A 5 -4.946 -1.702 -7.985 1.00 0.00 C ATOM 70 CD LYS A 5 -4.198 -0.385 -7.879 1.00 0.00 C ATOM 71 CE LYS A 5 -4.332 0.220 -6.495 1.00 0.00 C ATOM 72 NZ LYS A 5 -5.746 0.516 -6.148 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -6.525 -3.488 -9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.650 -2.521 -9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.030 -1.658 -10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.012 -1.531 -7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.617 -2.375 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.144 -0.544 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.583 0.314 -8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.915 -0.466 -5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.747 1.138 -6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.780 1.050 -5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.179 1.081 -6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.270 -0.375 -6.038 1.00 0.00 H new ATOM 86 N LEU A 6 -3.975 -4.856 -11.016 1.00 0.00 N ATOM 87 CA LEU A 6 -3.552 -5.510 -12.251 1.00 0.00 C ATOM 88 C LEU A 6 -4.645 -6.452 -12.758 1.00 0.00 C ATOM 89 O LEU A 6 -5.071 -6.346 -13.903 1.00 0.00 O ATOM 90 CB LEU A 6 -2.223 -6.266 -12.018 1.00 0.00 C ATOM 91 CG LEU A 6 -1.450 -6.733 -13.269 1.00 0.00 C ATOM 92 CD1 LEU A 6 -0.003 -7.025 -12.909 1.00 0.00 C ATOM 93 CD2 LEU A 6 -2.087 -7.976 -13.878 1.00 0.00 C ATOM 0 H LEU A 6 -3.295 -4.919 -10.259 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.385 -4.753 -13.017 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.565 -5.621 -11.435 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.435 -7.142 -11.405 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.488 -5.931 -14.006 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.534 -7.354 -13.799 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.464 -6.122 -12.517 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.033 -7.809 -12.153 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.520 -8.281 -14.758 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.083 -8.783 -13.145 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.114 -7.754 -14.167 1.00 0.00 H new ATOM 105 N ARG A 7 -5.107 -7.355 -11.908 1.00 0.00 N ATOM 106 CA ARG A 7 -6.181 -8.267 -12.299 1.00 0.00 C ATOM 107 C ARG A 7 -7.481 -7.495 -12.580 1.00 0.00 C ATOM 108 O ARG A 7 -8.163 -7.749 -13.567 1.00 0.00 O ATOM 109 CB ARG A 7 -6.421 -9.325 -11.220 1.00 0.00 C ATOM 110 CG ARG A 7 -7.328 -10.462 -11.674 1.00 0.00 C ATOM 111 CD ARG A 7 -7.708 -11.374 -10.520 1.00 0.00 C ATOM 112 NE ARG A 7 -8.450 -12.559 -10.973 1.00 0.00 N ATOM 113 CZ ARG A 7 -9.775 -12.608 -11.158 1.00 0.00 C ATOM 114 NH1 ARG A 7 -10.521 -11.525 -10.993 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -10.343 -13.747 -11.524 1.00 0.00 N ATOM 0 H ARG A 7 -4.764 -7.479 -10.955 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.871 -8.770 -13.215 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.462 -9.738 -10.908 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.861 -8.847 -10.345 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.231 -10.049 -12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.824 -11.043 -12.446 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.806 -11.690 -9.996 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.314 -10.819 -9.804 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.916 -13.407 -11.160 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.086 -10.643 -10.722 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.530 -11.574 -11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.771 -14.580 -11.663 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.352 -13.791 -11.667 1.00 0.00 H new ATOM 129 N GLN A 8 -7.790 -6.536 -11.712 1.00 0.00 N ATOM 130 CA GLN A 8 -9.012 -5.724 -11.843 1.00 0.00 C ATOM 131 C GLN A 8 -9.050 -4.974 -13.180 1.00 0.00 C ATOM 132 O GLN A 8 -10.082 -4.954 -13.850 1.00 0.00 O ATOM 133 CB GLN A 8 -9.123 -4.728 -10.682 1.00 0.00 C ATOM 134 CG GLN A 8 -10.391 -3.888 -10.707 1.00 0.00 C ATOM 135 CD GLN A 8 -11.649 -4.716 -10.521 1.00 0.00 C ATOM 136 OE1 GLN A 8 -11.641 -5.744 -9.835 1.00 0.00 O ATOM 137 NE2 GLN A 8 -12.735 -4.283 -11.129 1.00 0.00 N ATOM 0 H GLN A 8 -7.214 -6.296 -10.905 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.862 -6.406 -11.813 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.081 -5.276 -9.741 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.259 -4.064 -10.703 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.338 -3.135 -9.921 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.449 -3.355 -11.656 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.701 -3.430 -11.687 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.609 -4.801 -11.042 1.00 0.00 H new ATOM 146 N THR A 9 -7.932 -4.376 -13.573 1.00 0.00 N ATOM 147 CA THR A 9 -7.854 -3.682 -14.853 1.00 0.00 C ATOM 148 C THR A 9 -7.933 -4.675 -16.009 1.00 0.00 C ATOM 149 O THR A 9 -8.195 -4.303 -17.151 1.00 0.00 O ATOM 150 CB THR A 9 -6.561 -2.846 -14.969 1.00 0.00 C ATOM 151 OG1 THR A 9 -5.429 -3.637 -14.574 1.00 0.00 O ATOM 152 CG2 THR A 9 -6.642 -1.599 -14.100 1.00 0.00 C ATOM 0 H THR A 9 -7.071 -4.357 -13.027 1.00 0.00 H new ATOM 0 HA THR A 9 -8.704 -3.002 -14.905 1.00 0.00 H new ATOM 0 HB THR A 9 -6.445 -2.538 -16.008 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.152 -4.207 -15.321 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.720 -1.026 -14.198 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.485 -0.987 -14.420 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.779 -1.890 -13.058 1.00 0.00 H new ATOM 160 N GLY A 10 -7.712 -5.941 -15.694 1.00 0.00 N ATOM 161 CA GLY A 10 -7.819 -6.980 -16.681 1.00 0.00 C ATOM 162 C GLY A 10 -9.263 -7.359 -16.882 1.00 0.00 C ATOM 163 O GLY A 10 -9.749 -7.404 -18.010 1.00 0.00 O ATOM 0 H GLY A 10 -7.458 -6.264 -14.761 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.389 -6.642 -17.624 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.247 -7.852 -16.365 1.00 0.00 H new ATOM 167 N ASP A 11 -9.955 -7.625 -15.769 1.00 0.00 N ATOM 168 CA ASP A 11 -11.390 -7.925 -15.793 1.00 0.00 C ATOM 169 C ASP A 11 -12.139 -6.796 -16.480 1.00 0.00 C ATOM 170 O ASP A 11 -13.011 -7.026 -17.318 1.00 0.00 O ATOM 171 CB ASP A 11 -11.939 -8.091 -14.361 1.00 0.00 C ATOM 172 CG ASP A 11 -11.491 -9.366 -13.676 1.00 0.00 C ATOM 173 OD1 ASP A 11 -12.030 -10.455 -14.011 1.00 0.00 O ATOM 174 OD2 ASP A 11 -10.628 -9.288 -12.780 1.00 0.00 O1- ATOM 0 H ASP A 11 -9.542 -7.638 -14.837 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.534 -8.857 -16.339 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.624 -7.238 -13.760 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.028 -8.072 -14.395 1.00 0.00 H new ATOM 179 N GLU A 12 -11.768 -5.575 -16.119 1.00 0.00 N ATOM 180 CA GLU A 12 -12.362 -4.382 -16.670 1.00 0.00 C ATOM 181 C GLU A 12 -12.127 -4.308 -18.181 1.00 0.00 C ATOM 182 O GLU A 12 -13.048 -4.012 -18.947 1.00 0.00 O ATOM 183 CB GLU A 12 -11.781 -3.156 -15.973 1.00 0.00 C ATOM 184 CG GLU A 12 -12.415 -1.857 -16.394 1.00 0.00 C ATOM 185 CD GLU A 12 -11.917 -0.683 -15.584 1.00 0.00 C ATOM 186 OE1 GLU A 12 -11.071 0.076 -16.080 1.00 0.00 O ATOM 187 OE2 GLU A 12 -12.377 -0.511 -14.438 1.00 0.00 O1- ATOM 0 H GLU A 12 -11.039 -5.392 -15.429 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.439 -4.410 -16.502 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.898 -3.273 -14.896 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.711 -3.109 -16.175 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.208 -1.680 -17.450 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.497 -1.934 -16.290 1.00 0.00 H new ATOM 194 N LEU A 13 -10.899 -4.598 -18.602 1.00 0.00 N ATOM 195 CA LEU A 13 -10.548 -4.590 -20.018 1.00 0.00 C ATOM 196 C LEU A 13 -11.359 -5.639 -20.782 1.00 0.00 C ATOM 197 O LEU A 13 -11.823 -5.386 -21.892 1.00 0.00 O ATOM 198 CB LEU A 13 -9.044 -4.850 -20.189 1.00 0.00 C ATOM 199 CG LEU A 13 -8.509 -4.835 -21.625 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.732 -3.476 -22.270 1.00 0.00 C ATOM 201 CD2 LEU A 13 -7.031 -5.196 -21.643 1.00 0.00 C ATOM 0 H LEU A 13 -10.128 -4.842 -17.980 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.786 -3.609 -20.429 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.500 -4.101 -19.614 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.813 -5.820 -19.748 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.057 -5.580 -22.202 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.344 -3.489 -23.289 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.799 -3.254 -22.290 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.213 -2.710 -21.694 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.665 -5.181 -22.670 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.473 -4.473 -21.048 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.895 -6.193 -21.224 1.00 0.00 H new ATOM 213 N VAL A 14 -11.540 -6.806 -20.173 1.00 0.00 N ATOM 214 CA VAL A 14 -12.318 -7.881 -20.781 1.00 0.00 C ATOM 215 C VAL A 14 -13.779 -7.460 -20.938 1.00 0.00 C ATOM 216 O VAL A 14 -14.381 -7.645 -21.994 1.00 0.00 O ATOM 217 CB VAL A 14 -12.237 -9.184 -19.945 1.00 0.00 C ATOM 218 CG1 VAL A 14 -13.132 -10.270 -20.535 1.00 0.00 C ATOM 219 CG2 VAL A 14 -10.800 -9.671 -19.864 1.00 0.00 C ATOM 0 H VAL A 14 -11.157 -7.033 -19.255 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.891 -8.079 -21.764 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.591 -8.963 -18.938 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.056 -11.173 -19.929 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.166 -9.925 -20.544 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.814 -10.489 -21.554 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.759 -10.587 -19.274 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.426 -9.869 -20.868 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.183 -8.907 -19.391 1.00 0.00 H new ATOM 229 N GLN A 15 -14.340 -6.895 -19.878 1.00 0.00 N ATOM 230 CA GLN A 15 -15.715 -6.403 -19.911 1.00 0.00 C ATOM 231 C GLN A 15 -15.892 -5.343 -20.997 1.00 0.00 C ATOM 232 O GLN A 15 -16.876 -5.357 -21.733 1.00 0.00 O ATOM 233 CB GLN A 15 -16.116 -5.849 -18.551 1.00 0.00 C ATOM 234 CG GLN A 15 -16.129 -6.897 -17.456 1.00 0.00 C ATOM 235 CD GLN A 15 -16.463 -6.321 -16.103 1.00 0.00 C ATOM 236 OE1 GLN A 15 -17.194 -5.337 -15.997 1.00 0.00 O ATOM 237 NE2 GLN A 15 -15.921 -6.916 -15.063 1.00 0.00 N ATOM 0 H GLN A 15 -13.867 -6.765 -18.984 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.369 -7.242 -20.150 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.426 -5.052 -18.273 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -17.107 -5.401 -18.627 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.856 -7.670 -17.707 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.153 -7.380 -17.410 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.321 -7.730 -15.197 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.101 -6.564 -14.123 1.00 0.00 H new ATOM 246 N ALA A 16 -14.925 -4.440 -21.099 1.00 0.00 N ATOM 247 CA ALA A 16 -14.947 -3.411 -22.134 1.00 0.00 C ATOM 248 C ALA A 16 -14.830 -4.056 -23.514 1.00 0.00 C ATOM 249 O ALA A 16 -15.514 -3.666 -24.450 1.00 0.00 O ATOM 250 CB ALA A 16 -13.825 -2.410 -21.907 1.00 0.00 C ATOM 0 H ALA A 16 -14.116 -4.398 -20.479 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.895 -2.875 -22.083 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.854 -1.648 -22.686 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.951 -1.937 -20.933 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.865 -2.926 -21.939 1.00 0.00 H new ATOM 256 N PHE A 17 -13.949 -5.043 -23.620 1.00 0.00 N ATOM 257 CA PHE A 17 -13.788 -5.816 -24.850 1.00 0.00 C ATOM 258 C PHE A 17 -15.112 -6.472 -25.254 1.00 0.00 C ATOM 259 O PHE A 17 -15.442 -6.550 -26.440 1.00 0.00 O ATOM 260 CB PHE A 17 -12.696 -6.875 -24.691 1.00 0.00 C ATOM 261 CG PHE A 17 -12.427 -7.658 -25.947 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.668 -7.110 -26.969 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.929 -8.940 -26.103 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.416 -7.826 -28.122 1.00 0.00 C ATOM 265 CE2 PHE A 17 -12.681 -9.659 -27.253 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.923 -9.101 -28.265 1.00 0.00 C ATOM 0 H PHE A 17 -13.329 -5.331 -22.863 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.486 -5.129 -25.641 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.774 -6.389 -24.372 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.984 -7.565 -23.898 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.269 -6.112 -26.862 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.521 -9.381 -25.315 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.823 -7.389 -28.911 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.079 -10.657 -27.363 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.728 -9.662 -29.167 1.00 0.00 H new ATOM 276 N GLN A 18 -15.864 -6.943 -24.266 1.00 0.00 N ATOM 277 CA GLN A 18 -17.161 -7.540 -24.520 1.00 0.00 C ATOM 278 C GLN A 18 -18.094 -6.485 -25.114 1.00 0.00 C ATOM 279 O GLN A 18 -18.854 -6.757 -26.045 1.00 0.00 O ATOM 280 CB GLN A 18 -17.755 -8.108 -23.228 1.00 0.00 C ATOM 281 CG GLN A 18 -19.056 -8.860 -23.434 1.00 0.00 C ATOM 282 CD GLN A 18 -19.671 -9.343 -22.136 1.00 0.00 C ATOM 283 OE1 GLN A 18 -20.475 -8.649 -21.519 1.00 0.00 O ATOM 284 NE2 GLN A 18 -19.301 -10.534 -21.713 1.00 0.00 N ATOM 0 H GLN A 18 -15.594 -6.921 -23.283 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.044 -8.361 -25.228 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.028 -8.777 -22.768 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.925 -7.291 -22.527 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.766 -8.212 -23.948 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.876 -9.715 -24.085 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -18.631 -11.081 -22.253 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -19.685 -10.909 -20.846 1.00 0.00 H new ATOM 293 N ARG A 19 -18.003 -5.264 -24.580 1.00 0.00 N ATOM 294 CA ARG A 19 -18.785 -4.138 -25.082 1.00 0.00 C ATOM 295 C ARG A 19 -18.347 -3.817 -26.503 1.00 0.00 C ATOM 296 O ARG A 19 -19.156 -3.474 -27.354 1.00 0.00 O ATOM 297 CB ARG A 19 -18.576 -2.893 -24.199 1.00 0.00 C ATOM 298 CG ARG A 19 -18.790 -3.126 -22.715 1.00 0.00 C ATOM 299 CD ARG A 19 -20.185 -3.633 -22.417 1.00 0.00 C ATOM 300 NE ARG A 19 -20.343 -3.960 -21.000 1.00 0.00 N ATOM 301 CZ ARG A 19 -20.889 -5.089 -20.543 1.00 0.00 C ATOM 302 NH1 ARG A 19 -21.385 -5.980 -21.390 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -20.944 -5.319 -19.239 1.00 0.00 N ATOM 0 H ARG A 19 -17.392 -5.033 -23.797 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.840 -4.411 -25.063 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.563 -2.521 -24.352 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -19.257 -2.110 -24.532 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -18.057 -3.846 -22.351 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.619 -2.196 -22.173 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -20.917 -2.877 -22.701 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -20.389 -4.517 -23.021 1.00 0.00 H new ATOM 0 HE ARG A 19 -20.014 -3.280 -20.315 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -21.350 -5.804 -22.394 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -21.802 -6.842 -21.038 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -20.569 -4.633 -18.584 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -21.361 -6.182 -18.891 1.00 0.00 H new ATOM 317 N LEU A 20 -17.049 -3.973 -26.743 1.00 0.00 N ATOM 318 CA LEU A 20 -16.441 -3.689 -28.036 1.00 0.00 C ATOM 319 C LEU A 20 -17.060 -4.565 -29.121 1.00 0.00 C ATOM 320 O LEU A 20 -17.266 -4.117 -30.250 1.00 0.00 O ATOM 321 CB LEU A 20 -14.924 -3.925 -27.963 1.00 0.00 C ATOM 322 CG LEU A 20 -14.114 -3.513 -29.194 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.108 -2.003 -29.346 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.692 -4.047 -29.099 1.00 0.00 C ATOM 0 H LEU A 20 -16.386 -4.302 -26.041 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.626 -2.645 -28.289 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.535 -3.384 -27.101 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.751 -4.985 -27.779 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.585 -3.945 -30.077 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.527 -1.728 -30.227 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.131 -1.645 -29.460 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.661 -1.550 -28.461 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.130 -3.745 -29.983 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.211 -3.644 -28.208 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.715 -5.135 -29.039 1.00 0.00 H new ATOM 336 N ARG A 21 -17.377 -5.809 -28.769 1.00 0.00 N ATOM 337 CA ARG A 21 -17.994 -6.727 -29.715 1.00 0.00 C ATOM 338 C ARG A 21 -19.383 -6.254 -30.100 1.00 0.00 C ATOM 339 O ARG A 21 -19.707 -6.156 -31.279 1.00 0.00 O ATOM 340 CB ARG A 21 -18.092 -8.141 -29.134 1.00 0.00 C ATOM 341 CG ARG A 21 -16.876 -9.019 -29.373 1.00 0.00 C ATOM 342 CD ARG A 21 -16.565 -9.159 -30.863 1.00 0.00 C ATOM 343 NE ARG A 21 -17.770 -9.398 -31.684 1.00 0.00 N ATOM 344 CZ ARG A 21 -17.804 -10.186 -32.767 1.00 0.00 C ATOM 345 NH1 ARG A 21 -16.772 -10.964 -33.072 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -18.888 -10.222 -33.516 1.00 0.00 N ATOM 0 H ARG A 21 -17.217 -6.200 -27.841 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.359 -6.749 -30.601 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -18.261 -8.065 -28.060 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.966 -8.633 -29.560 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.014 -8.594 -28.859 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.049 -10.006 -28.943 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.068 -8.254 -31.212 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.865 -9.982 -31.007 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.634 -8.932 -31.408 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.942 -10.966 -32.479 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.809 -11.560 -33.899 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.697 -9.651 -33.270 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.918 -10.821 -34.341 1.00 0.00 H new ATOM 360 N GLU A 22 -20.174 -5.896 -29.103 1.00 0.00 N ATOM 361 CA GLU A 22 -21.548 -5.486 -29.324 1.00 0.00 C ATOM 362 C GLU A 22 -21.641 -4.171 -30.059 1.00 0.00 C ATOM 363 O GLU A 22 -22.585 -3.936 -30.806 1.00 0.00 O ATOM 364 CB GLU A 22 -22.328 -5.427 -28.020 1.00 0.00 C ATOM 365 CG GLU A 22 -22.789 -6.787 -27.540 1.00 0.00 C ATOM 366 CD GLU A 22 -23.546 -7.540 -28.616 1.00 0.00 C ATOM 367 OE1 GLU A 22 -23.333 -8.768 -28.749 1.00 0.00 O ATOM 368 OE2 GLU A 22 -24.344 -6.910 -29.346 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.884 -5.882 -28.125 1.00 0.00 H new ATOM 0 HA GLU A 22 -22.000 -6.248 -29.959 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.705 -4.969 -27.252 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -23.196 -4.782 -28.152 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -21.925 -7.373 -27.226 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -23.427 -6.666 -26.665 1.00 0.00 H new ATOM 375 N ILE A 23 -20.660 -3.317 -29.871 1.00 0.00 N ATOM 376 CA ILE A 23 -20.684 -2.019 -30.498 1.00 0.00 C ATOM 377 C ILE A 23 -20.317 -2.175 -31.971 1.00 0.00 C ATOM 378 O ILE A 23 -20.874 -1.507 -32.849 1.00 0.00 O ATOM 379 CB ILE A 23 -19.727 -1.028 -29.798 1.00 0.00 C ATOM 380 CG1 ILE A 23 -20.182 -0.804 -28.355 1.00 0.00 C ATOM 381 CG2 ILE A 23 -19.683 0.292 -30.549 1.00 0.00 C ATOM 382 CD1 ILE A 23 -19.251 0.065 -27.545 1.00 0.00 C ATOM 0 H ILE A 23 -19.840 -3.498 -29.292 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.688 -1.605 -30.409 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.722 -1.451 -29.794 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -21.172 -0.348 -28.364 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.281 -1.771 -27.862 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -19.004 0.977 -30.041 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -19.331 0.120 -31.566 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -20.682 0.727 -30.579 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.644 0.176 -26.534 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.265 -0.398 -27.503 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -19.171 1.046 -28.012 1.00 0.00 H new ATOM 394 N PHE A 24 -19.396 -3.110 -32.224 1.00 0.00 N ATOM 395 CA PHE A 24 -18.907 -3.375 -33.565 1.00 0.00 C ATOM 396 C PHE A 24 -19.988 -4.079 -34.375 1.00 0.00 C ATOM 397 O PHE A 24 -20.238 -3.739 -35.532 1.00 0.00 O ATOM 398 CB PHE A 24 -17.633 -4.231 -33.516 1.00 0.00 C ATOM 399 CG PHE A 24 -17.010 -4.473 -34.866 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.186 -3.520 -35.445 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.247 -5.653 -35.554 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.612 -3.739 -36.683 1.00 0.00 C ATOM 403 CE2 PHE A 24 -16.675 -5.877 -36.793 1.00 0.00 C ATOM 404 CZ PHE A 24 -15.858 -4.919 -37.357 1.00 0.00 C ATOM 0 H PHE A 24 -18.975 -3.697 -31.504 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.662 -2.428 -34.045 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -16.902 -3.742 -32.872 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.869 -5.191 -33.058 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.990 -2.595 -34.922 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -17.886 -6.406 -35.117 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.972 -2.988 -37.123 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -16.868 -6.801 -37.318 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.411 -5.092 -38.325 1.00 0.00 H new ATOM 414 N ASP A 25 -20.644 -5.058 -33.734 1.00 0.00 N ATOM 415 CA ASP A 25 -21.705 -5.845 -34.374 1.00 0.00 C ATOM 416 C ASP A 25 -22.883 -4.976 -34.748 1.00 0.00 C ATOM 417 O ASP A 25 -23.559 -5.227 -35.743 1.00 0.00 O ATOM 418 CB ASP A 25 -22.190 -6.985 -33.459 1.00 0.00 C ATOM 419 CG ASP A 25 -21.253 -8.177 -33.423 1.00 0.00 C ATOM 420 OD1 ASP A 25 -20.721 -8.503 -32.339 1.00 0.00 O ATOM 421 OD2 ASP A 25 -21.066 -8.813 -34.468 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.456 -5.323 -32.767 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.275 -6.274 -35.279 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.313 -6.600 -32.447 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.173 -7.316 -33.795 1.00 0.00 H new ATOM 426 N LYS A 26 -23.134 -3.952 -33.951 1.00 0.00 N ATOM 427 CA LYS A 26 -24.248 -3.058 -34.208 1.00 0.00 C ATOM 428 C LYS A 26 -23.833 -1.902 -35.120 1.00 0.00 C ATOM 429 O LYS A 26 -24.640 -1.036 -35.443 1.00 0.00 O ATOM 430 CB LYS A 26 -24.843 -2.540 -32.892 1.00 0.00 C ATOM 431 CG LYS A 26 -25.355 -3.649 -31.967 1.00 0.00 C ATOM 432 CD LYS A 26 -26.422 -4.498 -32.643 1.00 0.00 C ATOM 433 CE LYS A 26 -26.932 -5.612 -31.729 1.00 0.00 C ATOM 434 NZ LYS A 26 -25.902 -6.661 -31.465 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.584 -3.720 -33.124 1.00 0.00 H new ATOM 0 HA LYS A 26 -25.020 -3.624 -34.728 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -24.085 -1.961 -32.365 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.664 -1.860 -33.118 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.522 -4.284 -31.665 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -25.764 -3.206 -31.059 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -27.256 -3.863 -32.940 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.014 -4.935 -33.554 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -27.255 -5.180 -30.782 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -27.808 -6.075 -32.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -26.337 -7.602 -31.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -25.134 -6.576 -32.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -25.517 -6.536 -30.507 1.00 0.00 H new ATOM 448 N GLY A 27 -22.565 -1.902 -35.529 1.00 0.00 N ATOM 449 CA GLY A 27 -22.068 -0.902 -36.464 1.00 0.00 C ATOM 450 C GLY A 27 -22.064 0.517 -35.922 1.00 0.00 C ATOM 451 O GLY A 27 -22.219 1.473 -36.687 1.00 0.00 O ATOM 0 H GLY A 27 -21.868 -2.582 -35.227 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.053 -1.169 -36.757 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.678 -0.931 -37.367 1.00 0.00 H new ATOM 455 N ASP A 28 -21.912 0.673 -34.619 1.00 0.00 N ATOM 456 CA ASP A 28 -21.892 2.011 -34.041 1.00 0.00 C ATOM 457 C ASP A 28 -20.458 2.524 -33.941 1.00 0.00 C ATOM 458 O ASP A 28 -19.843 2.494 -32.874 1.00 0.00 O ATOM 459 CB ASP A 28 -22.571 2.042 -32.671 1.00 0.00 C ATOM 460 CG ASP A 28 -22.861 3.459 -32.208 1.00 0.00 C ATOM 461 OD1 ASP A 28 -21.926 4.181 -31.833 1.00 0.00 O ATOM 462 OD2 ASP A 28 -24.044 3.857 -32.233 1.00 0.00 O1- ATOM 0 H ASP A 28 -21.803 -0.090 -33.951 1.00 0.00 H new ATOM 0 HA ASP A 28 -22.456 2.669 -34.702 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -23.503 1.478 -32.716 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -21.933 1.546 -31.940 1.00 0.00 H new ATOM 467 N ASP A 29 -19.921 2.946 -35.076 1.00 0.00 N ATOM 468 CA ASP A 29 -18.549 3.465 -35.164 1.00 0.00 C ATOM 469 C ASP A 29 -18.299 4.638 -34.224 1.00 0.00 C ATOM 470 O ASP A 29 -17.168 4.852 -33.787 1.00 0.00 O ATOM 471 CB ASP A 29 -18.227 3.885 -36.599 1.00 0.00 C ATOM 472 CG ASP A 29 -18.247 2.725 -37.566 1.00 0.00 C ATOM 473 OD1 ASP A 29 -17.172 2.320 -38.043 1.00 0.00 O ATOM 474 OD2 ASP A 29 -19.347 2.210 -37.857 1.00 0.00 O1- ATOM 0 H ASP A 29 -20.418 2.942 -35.967 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.891 2.652 -34.856 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.948 4.635 -36.924 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.244 4.356 -36.623 1.00 0.00 H new ATOM 479 N ASP A 30 -19.340 5.394 -33.910 1.00 0.00 N ATOM 480 CA ASP A 30 -19.190 6.549 -33.026 1.00 0.00 C ATOM 481 C ASP A 30 -18.813 6.125 -31.619 1.00 0.00 C ATOM 482 O ASP A 30 -17.870 6.665 -31.033 1.00 0.00 O ATOM 483 CB ASP A 30 -20.458 7.398 -32.999 1.00 0.00 C ATOM 484 CG ASP A 30 -20.664 8.163 -34.282 1.00 0.00 C ATOM 485 OD1 ASP A 30 -20.003 9.206 -34.470 1.00 0.00 O ATOM 486 OD2 ASP A 30 -21.492 7.733 -35.107 1.00 0.00 O1- ATOM 0 H ASP A 30 -20.289 5.235 -34.248 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.379 7.156 -33.429 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.319 6.754 -32.820 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.405 8.099 -32.166 1.00 0.00 H new ATOM 491 N SER A 31 -19.533 5.162 -31.073 1.00 0.00 N ATOM 492 CA SER A 31 -19.223 4.659 -29.755 1.00 0.00 C ATOM 493 C SER A 31 -17.975 3.791 -29.822 1.00 0.00 C ATOM 494 O SER A 31 -17.178 3.763 -28.889 1.00 0.00 O ATOM 495 CB SER A 31 -20.404 3.864 -29.180 1.00 0.00 C ATOM 496 OG SER A 31 -20.144 3.443 -27.849 1.00 0.00 O ATOM 0 H SER A 31 -20.333 4.716 -31.523 1.00 0.00 H new ATOM 0 HA SER A 31 -19.036 5.503 -29.091 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.303 4.480 -29.200 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.599 2.994 -29.807 1.00 0.00 H new ATOM 0 HG SER A 31 -20.914 2.941 -27.509 1.00 0.00 H new ATOM 502 N LEU A 32 -17.801 3.110 -30.955 1.00 0.00 N ATOM 503 CA LEU A 32 -16.663 2.227 -31.162 1.00 0.00 C ATOM 504 C LEU A 32 -15.354 2.995 -31.060 1.00 0.00 C ATOM 505 O LEU A 32 -14.442 2.576 -30.357 1.00 0.00 O ATOM 506 CB LEU A 32 -16.767 1.573 -32.545 1.00 0.00 C ATOM 507 CG LEU A 32 -15.727 0.504 -32.872 1.00 0.00 C ATOM 508 CD1 LEU A 32 -15.957 -0.739 -32.035 1.00 0.00 C ATOM 509 CD2 LEU A 32 -15.759 0.167 -34.354 1.00 0.00 C ATOM 0 H LEU A 32 -18.442 3.157 -31.747 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.675 1.460 -30.387 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.757 1.126 -32.638 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.699 2.357 -33.299 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.740 0.899 -32.631 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.206 -1.489 -32.283 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.881 -0.485 -30.978 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.950 -1.138 -32.242 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.012 -0.596 -34.570 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.747 -0.207 -34.621 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.541 1.063 -34.936 1.00 0.00 H new ATOM 521 N GLU A 33 -15.272 4.129 -31.748 1.00 0.00 N ATOM 522 CA GLU A 33 -14.082 4.969 -31.702 1.00 0.00 C ATOM 523 C GLU A 33 -13.781 5.417 -30.274 1.00 0.00 C ATOM 524 O GLU A 33 -12.639 5.338 -29.815 1.00 0.00 O ATOM 525 CB GLU A 33 -14.264 6.183 -32.609 1.00 0.00 C ATOM 526 CG GLU A 33 -13.064 7.108 -32.646 1.00 0.00 C ATOM 527 CD GLU A 33 -13.281 8.291 -33.550 1.00 0.00 C ATOM 528 OE1 GLU A 33 -13.793 9.325 -33.075 1.00 0.00 O ATOM 529 OE2 GLU A 33 -12.940 8.201 -34.742 1.00 0.00 O1- ATOM 0 H GLU A 33 -16.017 4.487 -32.345 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.235 4.382 -32.057 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.477 5.839 -33.621 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.135 6.747 -32.274 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.848 7.460 -31.637 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.190 6.551 -32.983 1.00 0.00 H new ATOM 536 N GLN A 34 -14.815 5.868 -29.576 1.00 0.00 N ATOM 537 CA GLN A 34 -14.670 6.316 -28.198 1.00 0.00 C ATOM 538 C GLN A 34 -14.167 5.176 -27.313 1.00 0.00 C ATOM 539 O GLN A 34 -13.320 5.380 -26.438 1.00 0.00 O ATOM 540 CB GLN A 34 -16.005 6.856 -27.671 1.00 0.00 C ATOM 541 CG GLN A 34 -15.946 7.375 -26.238 1.00 0.00 C ATOM 542 CD GLN A 34 -14.940 8.497 -26.062 1.00 0.00 C ATOM 543 OE1 GLN A 34 -15.266 9.670 -26.231 1.00 0.00 O ATOM 544 NE2 GLN A 34 -13.717 8.146 -25.720 1.00 0.00 N ATOM 0 H GLN A 34 -15.765 5.933 -29.943 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.935 7.120 -28.171 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -16.342 7.661 -28.324 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -16.753 6.065 -27.729 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.934 7.729 -25.943 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.689 6.554 -25.569 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.487 7.161 -25.589 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.000 8.859 -25.586 1.00 0.00 H new ATOM 553 N VAL A 35 -14.682 3.983 -27.552 1.00 0.00 N ATOM 554 CA VAL A 35 -14.270 2.814 -26.800 1.00 0.00 C ATOM 555 C VAL A 35 -12.836 2.406 -27.148 1.00 0.00 C ATOM 556 O VAL A 35 -12.095 1.972 -26.281 1.00 0.00 O ATOM 557 CB VAL A 35 -15.247 1.619 -26.997 1.00 0.00 C ATOM 558 CG1 VAL A 35 -14.685 0.339 -26.390 1.00 0.00 C ATOM 559 CG2 VAL A 35 -16.591 1.940 -26.365 1.00 0.00 C ATOM 0 H VAL A 35 -15.389 3.799 -28.264 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.300 3.090 -25.746 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.375 1.460 -28.068 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.391 -0.477 -26.544 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.737 0.095 -26.870 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.524 0.483 -25.322 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.270 1.099 -26.507 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.457 2.123 -25.299 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.011 2.829 -26.835 1.00 0.00 H new ATOM 569 N LEU A 36 -12.431 2.581 -28.408 1.00 0.00 N ATOM 570 CA LEU A 36 -11.073 2.214 -28.828 1.00 0.00 C ATOM 571 C LEU A 36 -10.027 3.001 -28.046 1.00 0.00 C ATOM 572 O LEU A 36 -9.021 2.436 -27.603 1.00 0.00 O ATOM 573 CB LEU A 36 -10.883 2.453 -30.332 1.00 0.00 C ATOM 574 CG LEU A 36 -11.752 1.610 -31.267 1.00 0.00 C ATOM 575 CD1 LEU A 36 -11.527 2.017 -32.712 1.00 0.00 C ATOM 576 CD2 LEU A 36 -11.464 0.128 -31.082 1.00 0.00 C ATOM 0 H LEU A 36 -13.015 2.970 -29.149 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.940 1.152 -28.619 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.079 3.505 -30.539 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.837 2.269 -30.578 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.797 1.789 -31.014 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.153 1.407 -33.363 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.787 3.068 -32.839 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.479 1.868 -32.973 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.093 -0.452 -31.757 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.415 -0.069 -31.304 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.677 -0.158 -30.052 1.00 0.00 H new ATOM 588 N GLU A 37 -10.268 4.299 -27.864 1.00 0.00 N ATOM 589 CA GLU A 37 -9.352 5.137 -27.095 1.00 0.00 C ATOM 590 C GLU A 37 -9.329 4.674 -25.645 1.00 0.00 C ATOM 591 O GLU A 37 -8.279 4.633 -25.005 1.00 0.00 O ATOM 592 CB GLU A 37 -9.767 6.609 -27.159 1.00 0.00 C ATOM 593 CG GLU A 37 -9.810 7.190 -28.561 1.00 0.00 C ATOM 594 CD GLU A 37 -10.013 8.688 -28.550 1.00 0.00 C ATOM 595 OE1 GLU A 37 -11.145 9.140 -28.288 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.034 9.425 -28.789 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.082 4.789 -28.235 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.356 5.043 -27.528 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.752 6.716 -26.705 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.073 7.196 -26.557 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.880 6.954 -29.079 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.617 6.719 -29.123 1.00 0.00 H new ATOM 603 N GLU A 38 -10.500 4.306 -25.151 1.00 0.00 N ATOM 604 CA GLU A 38 -10.654 3.826 -23.793 1.00 0.00 C ATOM 605 C GLU A 38 -9.898 2.510 -23.606 1.00 0.00 C ATOM 606 O GLU A 38 -9.184 2.330 -22.624 1.00 0.00 O ATOM 607 CB GLU A 38 -12.141 3.637 -23.489 1.00 0.00 C ATOM 608 CG GLU A 38 -12.443 3.139 -22.093 1.00 0.00 C ATOM 609 CD GLU A 38 -13.924 2.968 -21.859 1.00 0.00 C ATOM 610 OE1 GLU A 38 -14.577 3.942 -21.413 1.00 0.00 O ATOM 611 OE2 GLU A 38 -14.447 1.869 -22.111 1.00 0.00 O1- ATOM 0 H GLU A 38 -11.370 4.333 -25.683 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.237 4.558 -23.102 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.652 4.588 -23.639 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.558 2.933 -24.209 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.939 2.186 -21.931 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.040 3.841 -21.363 1.00 0.00 H new ATOM 618 N ILE A 39 -10.035 1.615 -24.582 1.00 0.00 N ATOM 619 CA ILE A 39 -9.372 0.316 -24.530 1.00 0.00 C ATOM 620 C ILE A 39 -7.864 0.498 -24.469 1.00 0.00 C ATOM 621 O ILE A 39 -7.196 -0.088 -23.619 1.00 0.00 O ATOM 622 CB ILE A 39 -9.724 -0.575 -25.756 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.225 -0.888 -25.797 1.00 0.00 C ATOM 624 CG2 ILE A 39 -8.913 -1.869 -25.737 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.725 -1.671 -24.604 1.00 0.00 C ATOM 0 H ILE A 39 -10.599 1.766 -25.418 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.729 -0.186 -23.631 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.466 -0.018 -26.657 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.779 0.049 -25.861 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.443 -1.451 -26.705 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.176 -2.476 -26.603 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.849 -1.632 -25.769 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.134 -2.424 -24.825 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.795 -1.851 -24.709 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.200 -2.625 -24.549 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.541 -1.102 -23.692 1.00 0.00 H new ATOM 637 N GLU A 40 -7.333 1.330 -25.363 1.00 0.00 N ATOM 638 CA GLU A 40 -5.908 1.605 -25.395 1.00 0.00 C ATOM 639 C GLU A 40 -5.422 2.181 -24.067 1.00 0.00 C ATOM 640 O GLU A 40 -4.347 1.815 -23.579 1.00 0.00 O ATOM 641 CB GLU A 40 -5.567 2.560 -26.538 1.00 0.00 C ATOM 642 CG GLU A 40 -4.076 2.698 -26.777 1.00 0.00 C ATOM 643 CD GLU A 40 -3.739 3.675 -27.877 1.00 0.00 C ATOM 644 OE1 GLU A 40 -3.207 4.761 -27.567 1.00 0.00 O ATOM 645 OE2 GLU A 40 -3.982 3.358 -29.054 1.00 0.00 O1- ATOM 0 H GLU A 40 -7.874 1.823 -26.073 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.395 0.658 -25.562 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.044 2.207 -27.452 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.986 3.542 -26.319 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.595 3.020 -25.854 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.663 1.721 -27.028 1.00 0.00 H new ATOM 652 N GLU A 41 -6.220 3.057 -23.468 1.00 0.00 N ATOM 653 CA GLU A 41 -5.853 3.669 -22.222 1.00 0.00 C ATOM 654 C GLU A 41 -5.898 2.640 -21.093 1.00 0.00 C ATOM 655 O GLU A 41 -5.069 2.668 -20.180 1.00 0.00 O ATOM 656 CB GLU A 41 -6.776 4.836 -21.906 1.00 0.00 C ATOM 657 CG GLU A 41 -6.183 5.784 -20.901 1.00 0.00 C ATOM 658 CD GLU A 41 -7.181 6.766 -20.346 1.00 0.00 C ATOM 659 OE1 GLU A 41 -7.834 7.472 -21.135 1.00 0.00 O ATOM 660 OE2 GLU A 41 -7.302 6.848 -19.103 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.125 3.352 -23.836 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.835 4.048 -22.312 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.998 5.378 -22.825 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.723 4.453 -21.525 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.754 5.210 -20.080 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.365 6.333 -21.368 1.00 0.00 H new ATOM 667 N LEU A 42 -6.856 1.714 -21.176 1.00 0.00 N ATOM 668 CA LEU A 42 -6.989 0.659 -20.181 1.00 0.00 C ATOM 669 C LEU A 42 -5.792 -0.262 -20.249 1.00 0.00 C ATOM 670 O LEU A 42 -5.317 -0.756 -19.228 1.00 0.00 O ATOM 671 CB LEU A 42 -8.280 -0.144 -20.388 1.00 0.00 C ATOM 672 CG LEU A 42 -9.590 0.622 -20.189 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.782 -0.297 -20.410 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.646 1.244 -18.803 1.00 0.00 C ATOM 0 H LEU A 42 -7.549 1.677 -21.924 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.037 1.124 -19.197 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.272 -0.552 -21.399 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.271 -0.991 -19.702 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.631 1.426 -20.924 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.705 0.264 -20.265 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.753 -0.692 -21.425 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.742 -1.122 -19.698 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.586 1.783 -18.684 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.580 0.459 -18.049 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.813 1.936 -18.681 1.00 0.00 H new ATOM 686 N ILE A 43 -5.298 -0.488 -21.466 1.00 0.00 N ATOM 687 CA ILE A 43 -4.124 -1.315 -21.669 1.00 0.00 C ATOM 688 C ILE A 43 -2.940 -0.689 -20.950 1.00 0.00 C ATOM 689 O ILE A 43 -2.173 -1.379 -20.279 1.00 0.00 O ATOM 690 CB ILE A 43 -3.779 -1.460 -23.176 1.00 0.00 C ATOM 691 CG1 ILE A 43 -4.922 -2.145 -23.931 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.478 -2.239 -23.358 1.00 0.00 C ATOM 693 CD1 ILE A 43 -4.707 -2.217 -25.431 1.00 0.00 C ATOM 0 H ILE A 43 -5.698 -0.106 -22.323 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.338 -2.307 -21.270 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.644 -0.461 -23.590 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.048 -3.156 -23.542 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.850 -1.609 -23.731 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.254 -2.330 -24.421 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.665 -1.711 -22.859 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.585 -3.233 -22.924 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.557 -2.715 -25.897 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.612 -1.209 -25.834 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.797 -2.779 -25.642 1.00 0.00 H new ATOM 705 N GLN A 44 -2.817 0.630 -21.077 1.00 0.00 N ATOM 706 CA GLN A 44 -1.742 1.367 -20.431 1.00 0.00 C ATOM 707 C GLN A 44 -1.859 1.267 -18.913 1.00 0.00 C ATOM 708 O GLN A 44 -0.876 1.017 -18.230 1.00 0.00 O ATOM 709 CB GLN A 44 -1.764 2.835 -20.858 1.00 0.00 C ATOM 710 CG GLN A 44 -1.620 3.051 -22.355 1.00 0.00 C ATOM 711 CD GLN A 44 -1.690 4.515 -22.736 1.00 0.00 C ATOM 712 OE1 GLN A 44 -2.343 5.314 -22.062 1.00 0.00 O ATOM 713 NE2 GLN A 44 -1.028 4.880 -23.817 1.00 0.00 N ATOM 0 H GLN A 44 -3.453 1.209 -21.625 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.795 0.925 -20.741 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.700 3.284 -20.526 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.958 3.362 -20.347 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.669 2.636 -22.689 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.407 2.505 -22.876 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.499 4.189 -24.349 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.045 5.853 -24.121 1.00 0.00 H new ATOM 722 N LYS A 45 -3.078 1.440 -18.398 1.00 0.00 N ATOM 723 CA LYS A 45 -3.329 1.352 -16.954 1.00 0.00 C ATOM 724 C LYS A 45 -3.037 -0.048 -16.427 1.00 0.00 C ATOM 725 O LYS A 45 -2.530 -0.215 -15.316 1.00 0.00 O ATOM 726 CB LYS A 45 -4.783 1.725 -16.622 1.00 0.00 C ATOM 727 CG LYS A 45 -4.981 3.154 -16.132 1.00 0.00 C ATOM 728 CD LYS A 45 -4.805 4.179 -17.240 1.00 0.00 C ATOM 729 CE LYS A 45 -4.994 5.590 -16.704 1.00 0.00 C ATOM 730 NZ LYS A 45 -4.967 6.612 -17.776 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.907 1.642 -18.957 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.658 2.061 -16.469 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.394 1.573 -17.512 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.154 1.040 -15.860 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.979 3.253 -15.705 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.270 3.362 -15.333 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.812 4.081 -17.678 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.524 3.988 -18.036 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.944 5.649 -16.174 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.210 5.808 -15.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.628 7.515 -17.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.329 6.301 -18.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.925 6.738 -18.159 1.00 0.00 H new ATOM 744 N HIS A 46 -3.337 -1.042 -17.239 1.00 0.00 N ATOM 745 CA HIS A 46 -3.165 -2.436 -16.866 1.00 0.00 C ATOM 746 C HIS A 46 -1.688 -2.828 -16.945 1.00 0.00 C ATOM 747 O HIS A 46 -1.156 -3.479 -16.047 1.00 0.00 O ATOM 748 CB HIS A 46 -4.030 -3.297 -17.805 1.00 0.00 C ATOM 749 CG HIS A 46 -3.904 -4.782 -17.648 1.00 0.00 C ATOM 750 ND1 HIS A 46 -4.297 -5.469 -16.525 1.00 0.00 N ATOM 751 CD2 HIS A 46 -3.477 -5.712 -18.523 1.00 0.00 C ATOM 752 CE1 HIS A 46 -4.117 -6.765 -16.721 1.00 0.00 C ATOM 753 NE2 HIS A 46 -3.620 -6.939 -17.933 1.00 0.00 N ATOM 0 H HIS A 46 -3.708 -0.908 -18.179 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.485 -2.597 -15.837 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.074 -3.024 -17.654 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.779 -3.039 -18.834 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.091 -5.524 -19.514 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.339 -7.548 -16.011 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.383 -7.836 -18.357 1.00 0.00 H new ATOM 761 N ARG A 47 -1.037 -2.415 -18.023 1.00 0.00 N ATOM 762 CA ARG A 47 0.383 -2.686 -18.229 1.00 0.00 C ATOM 763 C ARG A 47 1.248 -1.908 -17.235 1.00 0.00 C ATOM 764 O ARG A 47 2.296 -2.385 -16.813 1.00 0.00 O ATOM 765 CB ARG A 47 0.776 -2.335 -19.667 1.00 0.00 C ATOM 766 CG ARG A 47 2.214 -2.667 -20.023 1.00 0.00 C ATOM 767 CD ARG A 47 2.508 -2.329 -21.473 1.00 0.00 C ATOM 768 NE ARG A 47 3.885 -2.640 -21.840 1.00 0.00 N ATOM 769 CZ ARG A 47 4.871 -1.744 -21.888 1.00 0.00 C ATOM 770 NH1 ARG A 47 4.635 -0.470 -21.583 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 6.092 -2.123 -22.244 1.00 0.00 N ATOM 0 H ARG A 47 -1.473 -1.885 -18.777 1.00 0.00 H new ATOM 0 HA ARG A 47 0.556 -3.749 -18.058 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.113 -2.865 -20.351 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.612 -1.269 -19.826 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.891 -2.113 -19.372 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.400 -3.727 -19.848 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.827 -2.883 -22.119 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.318 -1.269 -21.644 1.00 0.00 H new ATOM 0 HE ARG A 47 4.108 -3.607 -22.075 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.697 -0.176 -21.311 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.392 0.212 -21.621 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.275 -3.098 -22.480 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.848 -1.439 -22.281 1.00 0.00 H new ATOM 785 N GLN A 48 0.791 -0.718 -16.853 1.00 0.00 N ATOM 786 CA GLN A 48 1.521 0.124 -15.902 1.00 0.00 C ATOM 787 C GLN A 48 1.695 -0.591 -14.570 1.00 0.00 C ATOM 788 O GLN A 48 2.725 -0.460 -13.911 1.00 0.00 O ATOM 789 CB GLN A 48 0.789 1.461 -15.701 1.00 0.00 C ATOM 790 CG GLN A 48 1.457 2.424 -14.716 1.00 0.00 C ATOM 791 CD GLN A 48 2.847 2.873 -15.150 1.00 0.00 C ATOM 792 OE1 GLN A 48 3.587 2.136 -15.799 1.00 0.00 O ATOM 793 NE2 GLN A 48 3.206 4.088 -14.798 1.00 0.00 N ATOM 0 H GLN A 48 -0.083 -0.312 -17.187 1.00 0.00 H new ATOM 0 HA GLN A 48 2.510 0.325 -16.313 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.700 1.958 -16.667 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.223 1.255 -15.354 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.823 3.302 -14.592 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.528 1.942 -13.741 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.567 4.673 -14.259 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.124 4.446 -15.064 1.00 0.00 H new ATOM 802 N LEU A 49 0.700 -1.376 -14.195 1.00 0.00 N ATOM 803 CA LEU A 49 0.733 -2.113 -12.948 1.00 0.00 C ATOM 804 C LEU A 49 1.689 -3.292 -13.059 1.00 0.00 C ATOM 805 O LEU A 49 2.288 -3.716 -12.075 1.00 0.00 O ATOM 806 CB LEU A 49 -0.672 -2.579 -12.595 1.00 0.00 C ATOM 807 CG LEU A 49 -1.668 -1.454 -12.317 1.00 0.00 C ATOM 808 CD1 LEU A 49 -3.090 -1.951 -12.446 1.00 0.00 C ATOM 809 CD2 LEU A 49 -1.434 -0.870 -10.931 1.00 0.00 C ATOM 0 H LEU A 49 -0.148 -1.519 -14.744 1.00 0.00 H new ATOM 0 HA LEU A 49 1.094 -1.463 -12.151 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.054 -3.190 -13.413 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.617 -3.222 -11.717 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.513 -0.670 -13.058 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.781 -1.133 -12.244 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.255 -2.324 -13.457 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.261 -2.755 -11.730 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.151 -0.070 -10.748 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.562 -1.651 -10.181 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.422 -0.471 -10.871 1.00 0.00 H new ATOM 821 N PHE A 50 1.837 -3.803 -14.274 1.00 0.00 N ATOM 822 CA PHE A 50 2.753 -4.899 -14.539 1.00 0.00 C ATOM 823 C PHE A 50 4.187 -4.391 -14.466 1.00 0.00 C ATOM 824 O PHE A 50 5.104 -5.114 -14.058 1.00 0.00 O ATOM 825 CB PHE A 50 2.467 -5.518 -15.915 1.00 0.00 C ATOM 826 CG PHE A 50 3.384 -6.656 -16.276 1.00 0.00 C ATOM 827 CD1 PHE A 50 3.304 -7.864 -15.605 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.321 -6.517 -17.288 1.00 0.00 C ATOM 829 CE1 PHE A 50 4.140 -8.912 -15.934 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.162 -7.562 -17.622 1.00 0.00 C ATOM 831 CZ PHE A 50 5.070 -8.761 -16.943 1.00 0.00 C ATOM 0 H PHE A 50 1.330 -3.472 -15.095 1.00 0.00 H new ATOM 0 HA PHE A 50 2.612 -5.674 -13.786 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.437 -5.874 -15.935 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.551 -4.742 -16.676 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.579 -7.988 -14.814 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.395 -5.581 -17.822 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.067 -9.849 -15.402 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.889 -7.441 -18.412 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.725 -9.580 -17.201 1.00 0.00 H new ATOM 841 N ASP A 51 4.363 -3.118 -14.812 1.00 0.00 N ATOM 842 CA ASP A 51 5.672 -2.480 -14.770 1.00 0.00 C ATOM 843 C ASP A 51 6.019 -2.116 -13.344 1.00 0.00 C ATOM 844 O ASP A 51 7.148 -1.746 -13.037 1.00 0.00 O ATOM 845 CB ASP A 51 5.724 -1.235 -15.661 1.00 0.00 C ATOM 846 CG ASP A 51 5.901 -1.571 -17.126 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.840 -2.327 -17.456 1.00 0.00 O ATOM 848 OD2 ASP A 51 5.125 -1.054 -17.960 1.00 0.00 O1- ATOM 0 H ASP A 51 3.609 -2.507 -15.126 1.00 0.00 H new ATOM 0 HA ASP A 51 6.405 -3.190 -15.154 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.805 -0.663 -15.532 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.546 -0.596 -15.337 1.00 0.00 H new ATOM 969 N GLU A 60 3.876 -16.909 -20.955 1.00 0.00 N ATOM 970 CA GLU A 60 3.286 -17.005 -22.280 1.00 0.00 C ATOM 971 C GLU A 60 2.065 -16.093 -22.394 1.00 0.00 C ATOM 972 O GLU A 60 1.803 -15.514 -23.450 1.00 0.00 O ATOM 973 CB GLU A 60 2.904 -18.457 -22.574 1.00 0.00 C ATOM 974 CG GLU A 60 2.285 -18.681 -23.940 1.00 0.00 C ATOM 975 CD GLU A 60 1.900 -20.125 -24.162 1.00 0.00 C ATOM 976 OE1 GLU A 60 2.518 -20.788 -25.021 1.00 0.00 O ATOM 977 OE2 GLU A 60 0.985 -20.612 -23.476 1.00 0.00 O1- ATOM 0 HA GLU A 60 4.020 -16.678 -23.016 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.795 -19.078 -22.487 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.203 -18.796 -21.811 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.402 -18.051 -24.044 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.990 -18.372 -24.712 1.00 0.00 H new ATOM 984 N ALA A 61 1.337 -15.956 -21.291 1.00 0.00 N ATOM 985 CA ALA A 61 0.152 -15.111 -21.256 1.00 0.00 C ATOM 986 C ALA A 61 0.524 -13.655 -21.505 1.00 0.00 C ATOM 987 O ALA A 61 -0.130 -12.965 -22.282 1.00 0.00 O ATOM 988 CB ALA A 61 -0.570 -15.250 -19.927 1.00 0.00 C ATOM 0 H ALA A 61 1.549 -16.421 -20.408 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.520 -15.438 -22.049 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.452 -14.610 -19.923 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.874 -16.287 -19.785 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.097 -14.953 -19.118 1.00 0.00 H new ATOM 994 N ALA A 62 1.590 -13.196 -20.850 1.00 0.00 N ATOM 995 CA ALA A 62 2.059 -11.824 -21.017 1.00 0.00 C ATOM 996 C ALA A 62 2.532 -11.580 -22.447 1.00 0.00 C ATOM 997 O ALA A 62 2.286 -10.520 -23.017 1.00 0.00 O ATOM 998 CB ALA A 62 3.177 -11.523 -20.027 1.00 0.00 C ATOM 0 H ALA A 62 2.143 -13.754 -20.200 1.00 0.00 H new ATOM 0 HA ALA A 62 1.225 -11.151 -20.817 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.517 -10.496 -20.163 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.806 -11.651 -19.010 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.009 -12.206 -20.199 1.00 0.00 H new ATOM 1004 N LYS A 63 3.215 -12.569 -23.013 1.00 0.00 N ATOM 1005 CA LYS A 63 3.682 -12.491 -24.396 1.00 0.00 C ATOM 1006 C LYS A 63 2.498 -12.362 -25.357 1.00 0.00 C ATOM 1007 O LYS A 63 2.528 -11.564 -26.300 1.00 0.00 O ATOM 1008 CB LYS A 63 4.508 -13.731 -24.740 1.00 0.00 C ATOM 1009 CG LYS A 63 5.077 -13.724 -26.145 1.00 0.00 C ATOM 1010 CD LYS A 63 5.881 -14.979 -26.420 1.00 0.00 C ATOM 1011 CE LYS A 63 6.505 -14.941 -27.802 1.00 0.00 C ATOM 1012 NZ LYS A 63 7.264 -16.174 -28.102 1.00 0.00 N1+ ATOM 0 H LYS A 63 3.459 -13.437 -22.536 1.00 0.00 H new ATOM 0 HA LYS A 63 4.309 -11.606 -24.502 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.328 -13.817 -24.028 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.884 -14.616 -24.616 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.265 -13.644 -26.868 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.711 -12.847 -26.279 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.663 -15.085 -25.668 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.236 -15.853 -26.334 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.723 -14.806 -28.549 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.169 -14.080 -27.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.674 -16.106 -29.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.027 -16.290 -27.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.626 -16.994 -28.057 1.00 0.00 H new ATOM 1026 N GLN A 64 1.454 -13.142 -25.103 1.00 0.00 N ATOM 1027 CA GLN A 64 0.236 -13.060 -25.902 1.00 0.00 C ATOM 1028 C GLN A 64 -0.421 -11.703 -25.697 1.00 0.00 C ATOM 1029 O GLN A 64 -1.059 -11.167 -26.598 1.00 0.00 O ATOM 1030 CB GLN A 64 -0.738 -14.182 -25.546 1.00 0.00 C ATOM 1031 CG GLN A 64 -0.259 -15.565 -25.951 1.00 0.00 C ATOM 1032 CD GLN A 64 -1.272 -16.649 -25.643 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -2.477 -16.412 -25.650 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -0.788 -17.843 -25.372 1.00 0.00 N ATOM 0 H GLN A 64 1.425 -13.835 -24.355 1.00 0.00 H new ATOM 0 HA GLN A 64 0.505 -13.176 -26.952 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.913 -14.170 -24.470 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.696 -13.985 -26.027 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.040 -15.571 -27.019 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.674 -15.788 -25.433 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.220 -17.998 -25.377 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.421 -18.613 -25.157 1.00 0.00 H new ATOM 1043 N GLY A 65 -0.244 -11.161 -24.498 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.767 -9.848 -24.182 1.00 0.00 C ATOM 1045 C GLY A 65 -0.154 -8.777 -25.054 1.00 0.00 C ATOM 1046 O GLY A 65 -0.865 -7.945 -25.612 1.00 0.00 O ATOM 0 H GLY A 65 0.257 -11.613 -23.734 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.849 -9.847 -24.311 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.571 -9.621 -23.134 1.00 0.00 H new ATOM 1050 N ASP A 66 1.170 -8.801 -25.181 1.00 0.00 N ATOM 1051 CA ASP A 66 1.872 -7.859 -26.057 1.00 0.00 C ATOM 1052 C ASP A 66 1.376 -7.994 -27.487 1.00 0.00 C ATOM 1053 O ASP A 66 1.107 -6.998 -28.161 1.00 0.00 O ATOM 1054 CB ASP A 66 3.388 -8.086 -26.017 1.00 0.00 C ATOM 1055 CG ASP A 66 4.021 -7.659 -24.713 1.00 0.00 C ATOM 1056 OD1 ASP A 66 3.836 -6.496 -24.306 1.00 0.00 O ATOM 1057 OD2 ASP A 66 4.735 -8.475 -24.101 1.00 0.00 O1- ATOM 0 H ASP A 66 1.779 -9.458 -24.692 1.00 0.00 H new ATOM 0 HA ASP A 66 1.662 -6.853 -25.694 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.595 -9.143 -26.185 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.853 -7.537 -26.836 1.00 0.00 H new ATOM 1062 N GLN A 67 1.242 -9.234 -27.938 1.00 0.00 N ATOM 1063 CA GLN A 67 0.749 -9.516 -29.281 1.00 0.00 C ATOM 1064 C GLN A 67 -0.678 -9.003 -29.461 1.00 0.00 C ATOM 1065 O GLN A 67 -1.017 -8.447 -30.504 1.00 0.00 O ATOM 1066 CB GLN A 67 0.824 -11.014 -29.581 1.00 0.00 C ATOM 1067 CG GLN A 67 2.239 -11.522 -29.815 1.00 0.00 C ATOM 1068 CD GLN A 67 2.879 -10.902 -31.047 1.00 0.00 C ATOM 1069 OE1 GLN A 67 2.194 -10.552 -32.008 1.00 0.00 O ATOM 1070 NE2 GLN A 67 4.190 -10.760 -31.028 1.00 0.00 N ATOM 0 H GLN A 67 1.469 -10.065 -27.391 1.00 0.00 H new ATOM 0 HA GLN A 67 1.388 -8.990 -29.990 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.383 -11.564 -28.750 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.220 -11.230 -30.462 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.851 -11.301 -28.940 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.220 -12.606 -29.925 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.724 -11.062 -30.213 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.670 -10.348 -31.828 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.505 -9.189 -28.439 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.886 -8.717 -28.460 1.00 0.00 C ATOM 1081 C TRP A 68 -2.927 -7.200 -28.624 1.00 0.00 C ATOM 1082 O TRP A 68 -3.759 -6.667 -29.359 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.604 -9.127 -27.171 1.00 0.00 C ATOM 1084 CG TRP A 68 -5.082 -8.869 -27.190 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -6.049 -9.729 -27.606 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.760 -7.675 -26.768 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -7.285 -9.152 -27.472 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -7.137 -7.890 -26.960 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -5.337 -6.449 -26.246 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -8.092 -6.928 -26.651 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -6.286 -5.496 -25.940 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.649 -5.739 -26.143 1.00 0.00 C ATOM 0 H TRP A 68 -1.241 -9.668 -27.578 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.396 -9.173 -29.308 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.433 -10.189 -26.993 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -3.162 -8.588 -26.333 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.869 -10.723 -27.987 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -8.173 -9.592 -27.715 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.287 -6.252 -26.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -9.145 -7.113 -26.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.971 -4.545 -25.536 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -8.366 -4.971 -25.893 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.011 -6.512 -27.948 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.934 -5.061 -28.031 1.00 0.00 C ATOM 1105 C VAL A 69 -1.598 -4.650 -29.458 1.00 0.00 C ATOM 1106 O VAL A 69 -2.153 -3.685 -29.993 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.872 -4.482 -27.059 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.777 -2.967 -27.195 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -1.199 -4.863 -25.625 1.00 0.00 C ATOM 0 H VAL A 69 -1.313 -6.938 -27.338 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.905 -4.658 -27.742 1.00 0.00 H new ATOM 0 HB VAL A 69 0.095 -4.910 -27.323 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.026 -2.586 -26.503 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.494 -2.710 -28.216 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.744 -2.520 -26.964 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.444 -4.449 -24.957 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.178 -4.465 -25.357 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.210 -5.949 -25.531 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.702 -5.409 -30.078 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.310 -5.161 -31.454 1.00 0.00 C ATOM 1121 C GLN A 70 -1.486 -5.395 -32.388 1.00 0.00 C ATOM 1122 O GLN A 70 -1.733 -4.602 -33.297 1.00 0.00 O ATOM 1123 CB GLN A 70 0.873 -6.047 -31.853 1.00 0.00 C ATOM 1124 CG GLN A 70 2.113 -5.831 -31.001 1.00 0.00 C ATOM 1125 CD GLN A 70 2.544 -4.376 -30.951 1.00 0.00 C ATOM 1126 OE1 GLN A 70 2.343 -3.620 -31.901 1.00 0.00 O ATOM 1127 NE2 GLN A 70 3.126 -3.977 -29.841 1.00 0.00 N ATOM 0 H GLN A 70 -0.233 -6.204 -29.644 1.00 0.00 H new ATOM 0 HA GLN A 70 0.002 -4.120 -31.537 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.572 -7.092 -31.783 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.122 -5.856 -32.897 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.918 -6.183 -29.988 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.930 -6.434 -31.397 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.274 -4.637 -29.077 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.430 -3.008 -29.744 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.226 -6.477 -32.149 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.401 -6.801 -32.947 1.00 0.00 C ATOM 1138 C LEU A 71 -4.445 -5.702 -32.826 1.00 0.00 C ATOM 1139 O LEU A 71 -5.058 -5.308 -33.816 1.00 0.00 O ATOM 1140 CB LEU A 71 -4.009 -8.130 -32.488 1.00 0.00 C ATOM 1141 CG LEU A 71 -3.188 -9.389 -32.752 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -3.808 -10.577 -32.033 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -3.111 -9.665 -34.243 1.00 0.00 C ATOM 0 H LEU A 71 -2.029 -7.145 -31.404 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.090 -6.888 -33.988 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.197 -8.066 -31.416 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.977 -8.247 -32.975 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.178 -9.233 -32.373 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.215 -11.470 -32.228 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.830 -10.382 -30.961 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.825 -10.731 -32.394 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.522 -10.566 -34.416 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.117 -9.807 -34.639 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.639 -8.821 -34.745 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.635 -5.206 -31.605 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.596 -4.142 -31.353 1.00 0.00 C ATOM 1157 C PHE A 72 -5.236 -2.896 -32.145 1.00 0.00 C ATOM 1158 O PHE A 72 -6.101 -2.270 -32.763 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.675 -3.808 -29.858 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.576 -2.639 -29.562 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.950 -2.798 -29.533 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -6.045 -1.377 -29.329 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -8.781 -1.725 -29.281 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -6.871 -0.301 -29.072 1.00 0.00 C ATOM 1165 CZ PHE A 72 -8.239 -0.474 -29.049 1.00 0.00 C ATOM 0 H PHE A 72 -4.134 -5.526 -30.776 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.574 -4.497 -31.677 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.034 -4.682 -29.315 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.673 -3.591 -29.487 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.378 -3.774 -29.710 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.974 -1.236 -29.349 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.852 -1.862 -29.265 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.446 0.675 -28.889 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.887 0.367 -28.850 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.960 -2.537 -32.128 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.498 -1.376 -32.862 1.00 0.00 C ATOM 1177 C GLN A 73 -3.739 -1.544 -34.346 1.00 0.00 C ATOM 1178 O GLN A 73 -4.241 -0.642 -34.997 1.00 0.00 O ATOM 1179 CB GLN A 73 -2.024 -1.098 -32.584 1.00 0.00 C ATOM 1180 CG GLN A 73 -1.769 -0.544 -31.196 1.00 0.00 C ATOM 1181 CD GLN A 73 -2.530 0.748 -30.943 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -2.787 1.526 -31.863 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -2.895 0.981 -29.703 1.00 0.00 N ATOM 0 H GLN A 73 -3.232 -3.033 -31.615 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.073 -0.516 -32.518 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.458 -2.021 -32.709 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.649 -0.391 -33.324 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.059 -1.286 -30.452 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.701 -0.365 -31.069 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.663 0.312 -28.969 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.410 1.831 -29.474 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.425 -2.724 -34.868 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.625 -3.011 -36.286 1.00 0.00 C ATOM 1194 C ARG A 74 -5.113 -2.964 -36.627 1.00 0.00 C ATOM 1195 O ARG A 74 -5.499 -2.555 -37.723 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.039 -4.378 -36.638 1.00 0.00 C ATOM 1197 CG ARG A 74 -1.557 -4.504 -36.321 1.00 0.00 C ATOM 1198 CD ARG A 74 -1.052 -5.909 -36.578 1.00 0.00 C ATOM 1199 NE ARG A 74 0.302 -6.111 -36.056 1.00 0.00 N ATOM 1200 CZ ARG A 74 0.951 -7.280 -36.086 1.00 0.00 C ATOM 1201 NH1 ARG A 74 0.391 -8.341 -36.658 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 2.166 -7.382 -35.557 1.00 0.00 N ATOM 0 H ARG A 74 -3.031 -3.498 -34.332 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.109 -2.252 -36.874 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.585 -5.149 -36.095 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.192 -4.567 -37.700 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.992 -3.797 -36.928 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.383 -4.239 -35.278 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.729 -6.628 -36.116 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.060 -6.107 -37.650 1.00 0.00 H new ATOM 0 HE ARG A 74 0.780 -5.310 -35.644 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.536 -8.265 -37.076 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.889 -9.231 -36.679 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.605 -6.568 -35.127 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.659 -8.274 -35.581 1.00 0.00 H new ATOM 1216 N PHE A 75 -5.936 -3.394 -35.679 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.385 -3.343 -35.827 1.00 0.00 C ATOM 1218 C PHE A 75 -7.841 -1.892 -35.933 1.00 0.00 C ATOM 1219 O PHE A 75 -8.617 -1.534 -36.819 1.00 0.00 O ATOM 1220 CB PHE A 75 -8.066 -4.037 -34.636 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.571 -4.015 -34.678 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.270 -4.937 -35.439 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.286 -3.072 -33.952 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.652 -4.921 -35.474 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.666 -3.052 -33.986 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.350 -3.978 -34.749 1.00 0.00 C ATOM 0 H PHE A 75 -5.621 -3.785 -34.791 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.670 -3.869 -36.738 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.731 -5.074 -34.596 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.734 -3.559 -33.715 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.730 -5.677 -36.011 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.756 -2.346 -33.354 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.185 -5.647 -36.069 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.210 -2.313 -33.417 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.430 -3.964 -34.778 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.347 -1.063 -35.025 1.00 0.00 N ATOM 1237 CA ARG A 76 -7.666 0.355 -35.024 1.00 0.00 C ATOM 1238 C ARG A 76 -7.130 1.023 -36.293 1.00 0.00 C ATOM 1239 O ARG A 76 -7.810 1.851 -36.900 1.00 0.00 O ATOM 1240 CB ARG A 76 -7.079 1.027 -33.783 1.00 0.00 C ATOM 1241 CG ARG A 76 -7.661 2.402 -33.487 1.00 0.00 C ATOM 1242 CD ARG A 76 -6.569 3.439 -33.324 1.00 0.00 C ATOM 1243 NE ARG A 76 -5.948 3.778 -34.603 1.00 0.00 N ATOM 1244 CZ ARG A 76 -4.638 3.888 -34.809 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -3.771 3.622 -33.833 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -4.200 4.245 -36.004 1.00 0.00 N ATOM 0 H ARG A 76 -6.719 -1.352 -34.275 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.750 0.468 -35.004 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.244 0.381 -32.921 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.000 1.120 -33.909 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.329 2.698 -34.296 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.261 2.357 -32.578 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.987 4.339 -32.873 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.809 3.062 -32.639 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.566 3.943 -35.398 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.109 3.330 -32.916 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.769 3.710 -34.003 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.864 4.433 -36.755 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.198 4.333 -36.175 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.918 0.627 -36.707 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.289 1.170 -37.912 1.00 0.00 C ATOM 1262 C GLU A 77 -6.111 0.821 -39.131 1.00 0.00 C ATOM 1263 O GLU A 77 -6.181 1.588 -40.090 1.00 0.00 O ATOM 1264 CB GLU A 77 -3.873 0.618 -38.105 1.00 0.00 C ATOM 1265 CG GLU A 77 -2.868 1.039 -37.049 1.00 0.00 C ATOM 1266 CD GLU A 77 -1.483 0.506 -37.346 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -0.639 1.280 -37.828 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -1.240 -0.702 -37.127 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.355 -0.070 -36.221 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.233 2.252 -37.789 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.924 -0.471 -38.123 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.506 0.936 -39.081 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.834 2.127 -36.993 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.194 0.679 -36.073 1.00 0.00 H new ATOM 1275 N ALA A 78 -6.739 -0.348 -39.090 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.542 -0.822 -40.195 1.00 0.00 C ATOM 1277 C ALA A 78 -8.708 0.110 -40.448 1.00 0.00 C ATOM 1278 O ALA A 78 -9.109 0.306 -41.585 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.034 -2.237 -39.931 1.00 0.00 C ATOM 0 H ALA A 78 -6.703 -0.985 -38.294 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.918 -0.837 -41.089 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.636 -2.576 -40.774 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.179 -2.902 -39.805 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.639 -2.249 -39.025 1.00 0.00 H new ATOM 1285 N ILE A 79 -9.238 0.710 -39.390 1.00 0.00 N ATOM 1286 CA ILE A 79 -10.342 1.641 -39.521 1.00 0.00 C ATOM 1287 C ILE A 79 -9.848 2.942 -40.153 1.00 0.00 C ATOM 1288 O ILE A 79 -10.537 3.550 -40.976 1.00 0.00 O ATOM 1289 CB ILE A 79 -10.986 1.943 -38.141 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -11.548 0.654 -37.531 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -12.085 2.997 -38.272 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -12.144 0.834 -36.150 1.00 0.00 C ATOM 0 H ILE A 79 -8.918 0.566 -38.432 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.098 1.185 -40.160 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.216 2.340 -37.479 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.313 0.253 -38.196 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.751 -0.088 -37.478 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.521 3.192 -37.292 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.660 3.919 -38.670 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.859 2.634 -38.948 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -12.519 -0.123 -35.788 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.378 1.204 -35.469 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -12.964 1.551 -36.198 1.00 0.00 H new ATOM 1304 N ASP A 80 -8.632 3.337 -39.794 1.00 0.00 N ATOM 1305 CA ASP A 80 -8.035 4.562 -40.318 1.00 0.00 C ATOM 1306 C ASP A 80 -7.715 4.400 -41.793 1.00 0.00 C ATOM 1307 O ASP A 80 -7.879 5.326 -42.585 1.00 0.00 O ATOM 1308 CB ASP A 80 -6.746 4.912 -39.566 1.00 0.00 C ATOM 1309 CG ASP A 80 -6.973 5.272 -38.116 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -6.577 4.484 -37.239 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -7.525 6.358 -37.849 1.00 0.00 O1- ATOM 0 H ASP A 80 -8.038 2.826 -39.141 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.757 5.367 -40.181 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.062 4.065 -39.619 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.258 5.748 -40.067 1.00 0.00 H new ATOM 1316 N LYS A 81 -7.266 3.209 -42.154 1.00 0.00 N ATOM 1317 CA LYS A 81 -6.912 2.902 -43.531 1.00 0.00 C ATOM 1318 C LYS A 81 -8.136 2.484 -44.339 1.00 0.00 C ATOM 1319 O LYS A 81 -8.064 2.328 -45.556 1.00 0.00 O ATOM 1320 CB LYS A 81 -5.849 1.804 -43.570 1.00 0.00 C ATOM 1321 CG LYS A 81 -4.557 2.187 -42.868 1.00 0.00 C ATOM 1322 CD LYS A 81 -3.523 1.080 -42.956 1.00 0.00 C ATOM 1323 CE LYS A 81 -2.227 1.479 -42.269 1.00 0.00 C ATOM 1324 NZ LYS A 81 -1.184 0.435 -42.405 1.00 0.00 N1+ ATOM 0 H LYS A 81 -7.137 2.432 -41.506 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.506 3.806 -43.984 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.251 0.903 -43.107 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.630 1.558 -44.609 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.156 3.097 -43.315 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.764 2.410 -41.821 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.917 0.174 -42.496 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.326 0.846 -44.002 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.863 2.413 -42.696 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.419 1.665 -41.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.317 0.746 -41.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.521 -0.450 -41.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.982 0.275 -43.413 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.257 2.310 -43.657 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.477 1.920 -44.327 1.00 0.00 C ATOM 1340 C GLY A 82 -10.454 0.481 -44.800 1.00 0.00 C ATOM 1341 O GLY A 82 -11.123 0.132 -45.777 1.00 0.00 O ATOM 0 H GLY A 82 -9.343 2.433 -42.648 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.319 2.061 -43.649 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.642 2.576 -45.182 1.00 0.00 H new ATOM 1345 N ASP A 83 -9.695 -0.360 -44.117 1.00 0.00 N ATOM 1346 CA ASP A 83 -9.587 -1.753 -44.496 1.00 0.00 C ATOM 1347 C ASP A 83 -10.620 -2.576 -43.739 1.00 0.00 C ATOM 1348 O ASP A 83 -10.411 -2.952 -42.584 1.00 0.00 O ATOM 1349 CB ASP A 83 -8.179 -2.286 -44.223 1.00 0.00 C ATOM 1350 CG ASP A 83 -7.918 -3.619 -44.902 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -8.466 -4.649 -44.456 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -7.152 -3.639 -45.888 1.00 0.00 O1- ATOM 0 H ASP A 83 -9.146 -0.099 -43.298 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.778 -1.837 -45.566 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.445 -1.557 -44.567 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.038 -2.396 -43.148 1.00 0.00 H new ATOM 1357 N LYS A 84 -11.739 -2.826 -44.391 1.00 0.00 N ATOM 1358 CA LYS A 84 -12.846 -3.560 -43.789 1.00 0.00 C ATOM 1359 C LYS A 84 -12.484 -5.031 -43.597 1.00 0.00 C ATOM 1360 O LYS A 84 -12.928 -5.677 -42.657 1.00 0.00 O ATOM 1361 CB LYS A 84 -14.093 -3.450 -44.685 1.00 0.00 C ATOM 1362 CG LYS A 84 -13.943 -4.162 -46.031 1.00 0.00 C ATOM 1363 CD LYS A 84 -15.153 -3.964 -46.922 1.00 0.00 C ATOM 1364 CE LYS A 84 -15.073 -4.838 -48.172 1.00 0.00 C ATOM 1365 NZ LYS A 84 -13.793 -4.658 -48.913 1.00 0.00 N1+ ATOM 0 H LYS A 84 -11.911 -2.529 -45.351 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.055 -3.123 -42.812 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.949 -3.868 -44.155 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.311 -2.397 -44.862 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.054 -3.789 -46.540 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -13.790 -5.228 -45.861 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.059 -4.204 -46.366 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.225 -2.916 -47.213 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.180 -5.885 -47.887 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.908 -4.600 -48.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.889 -5.049 -49.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.566 -3.645 -48.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.029 -5.155 -48.412 1.00 0.00 H new ATOM 1379 N ASP A 85 -11.676 -5.540 -44.504 1.00 0.00 N ATOM 1380 CA ASP A 85 -11.294 -6.945 -44.516 1.00 0.00 C ATOM 1381 C ASP A 85 -10.531 -7.353 -43.263 1.00 0.00 C ATOM 1382 O ASP A 85 -10.778 -8.419 -42.699 1.00 0.00 O ATOM 1383 CB ASP A 85 -10.476 -7.253 -45.770 1.00 0.00 C ATOM 1384 CG ASP A 85 -11.297 -7.133 -47.040 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -11.432 -6.003 -47.569 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -11.814 -8.164 -47.517 1.00 0.00 O1- ATOM 0 H ASP A 85 -11.262 -4.992 -45.258 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.212 -7.533 -44.529 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.627 -6.571 -45.823 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.070 -8.262 -45.697 1.00 0.00 H new ATOM 1391 N SER A 86 -9.621 -6.506 -42.825 1.00 0.00 N ATOM 1392 CA SER A 86 -8.811 -6.790 -41.650 1.00 0.00 C ATOM 1393 C SER A 86 -9.640 -6.826 -40.367 1.00 0.00 C ATOM 1394 O SER A 86 -9.314 -7.563 -39.441 1.00 0.00 O ATOM 1395 CB SER A 86 -7.688 -5.763 -41.513 1.00 0.00 C ATOM 1396 OG SER A 86 -6.872 -5.742 -42.671 1.00 0.00 O ATOM 0 H SER A 86 -9.421 -5.609 -43.266 1.00 0.00 H new ATOM 0 HA SER A 86 -8.383 -7.782 -41.793 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.114 -4.774 -41.347 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.080 -5.999 -40.640 1.00 0.00 H new ATOM 0 HG SER A 86 -7.438 -5.675 -43.469 1.00 0.00 H new ATOM 1402 N LEU A 87 -10.719 -6.053 -40.325 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.504 -5.908 -39.100 1.00 0.00 C ATOM 1404 C LEU A 87 -12.041 -7.245 -38.586 1.00 0.00 C ATOM 1405 O LEU A 87 -11.856 -7.567 -37.421 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.662 -4.931 -39.322 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.271 -3.511 -39.734 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.510 -2.673 -40.004 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.413 -2.859 -38.660 1.00 0.00 C ATOM 0 H LEU A 87 -11.071 -5.519 -41.119 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.832 -5.513 -38.338 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.317 -5.343 -40.089 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.245 -4.874 -38.403 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.687 -3.570 -40.653 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.212 -1.666 -40.296 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.088 -3.127 -40.808 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.120 -2.624 -39.102 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.145 -1.849 -38.972 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.972 -2.814 -37.725 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.506 -3.446 -38.513 1.00 0.00 H new ATOM 1421 N GLU A 88 -12.665 -8.031 -39.447 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.192 -9.327 -39.015 1.00 0.00 C ATOM 1423 C GLU A 88 -12.081 -10.315 -38.676 1.00 0.00 C ATOM 1424 O GLU A 88 -12.196 -11.085 -37.722 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.143 -9.939 -40.045 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.473 -9.217 -40.163 1.00 0.00 C ATOM 1427 CD GLU A 88 -15.479 -8.183 -41.254 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -16.026 -8.473 -42.339 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -14.946 -7.090 -41.044 1.00 0.00 O1- ATOM 0 H GLU A 88 -12.820 -7.807 -40.430 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.760 -9.129 -38.106 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.654 -9.941 -41.019 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.329 -10.980 -39.780 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.261 -9.945 -40.355 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.707 -8.737 -39.213 1.00 0.00 H new ATOM 1436 N GLN A 89 -10.998 -10.284 -39.443 1.00 0.00 N ATOM 1437 CA GLN A 89 -9.904 -11.230 -39.246 1.00 0.00 C ATOM 1438 C GLN A 89 -9.155 -10.935 -37.948 1.00 0.00 C ATOM 1439 O GLN A 89 -8.847 -11.840 -37.168 1.00 0.00 O ATOM 1440 CB GLN A 89 -8.942 -11.187 -40.435 1.00 0.00 C ATOM 1441 CG GLN A 89 -9.607 -11.451 -41.782 1.00 0.00 C ATOM 1442 CD GLN A 89 -10.294 -12.803 -41.847 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -9.684 -13.806 -42.222 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -11.565 -12.838 -41.498 1.00 0.00 N ATOM 0 H GLN A 89 -10.853 -9.619 -40.203 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.330 -12.231 -39.174 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.461 -10.209 -40.465 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.155 -11.925 -40.279 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.339 -10.668 -41.980 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.856 -11.392 -42.570 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.034 -11.985 -41.193 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.079 -13.718 -41.533 1.00 0.00 H new ATOM 1453 N LEU A 90 -8.867 -9.664 -37.727 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.167 -9.227 -36.531 1.00 0.00 C ATOM 1455 C LEU A 90 -9.040 -9.389 -35.298 1.00 0.00 C ATOM 1456 O LEU A 90 -8.556 -9.760 -34.234 1.00 0.00 O ATOM 1457 CB LEU A 90 -7.724 -7.770 -36.686 1.00 0.00 C ATOM 1458 CG LEU A 90 -6.617 -7.522 -37.714 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.417 -6.036 -37.934 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -5.315 -8.168 -37.265 1.00 0.00 C ATOM 0 H LEU A 90 -9.110 -8.909 -38.368 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.285 -9.854 -36.401 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.593 -7.172 -36.962 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.383 -7.407 -35.716 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.921 -7.975 -38.658 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.626 -5.880 -38.668 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.344 -5.594 -38.300 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.137 -5.563 -36.993 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.540 -7.981 -38.009 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.010 -7.744 -36.308 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.461 -9.243 -37.156 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.332 -9.140 -35.461 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.278 -9.227 -34.356 1.00 0.00 C ATOM 1474 C LEU A 91 -11.362 -10.653 -33.833 1.00 0.00 C ATOM 1475 O LEU A 91 -11.349 -10.882 -32.622 1.00 0.00 O ATOM 1476 CB LEU A 91 -12.659 -8.743 -34.797 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.727 -8.681 -33.708 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.320 -7.712 -32.605 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -15.064 -8.279 -34.306 1.00 0.00 C ATOM 0 H LEU A 91 -10.751 -8.875 -36.352 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.923 -8.584 -33.550 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.552 -7.748 -35.230 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.016 -9.400 -35.591 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.827 -9.673 -33.266 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.096 -7.684 -31.840 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.382 -8.042 -32.158 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -13.190 -6.715 -33.026 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.817 -8.238 -33.519 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -14.974 -7.298 -34.773 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.362 -9.012 -35.056 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.415 -11.606 -34.752 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.504 -13.013 -34.399 1.00 0.00 C ATOM 1493 C GLU A 92 -10.268 -13.447 -33.616 1.00 0.00 C ATOM 1494 O GLU A 92 -10.373 -14.111 -32.585 1.00 0.00 O ATOM 1495 CB GLU A 92 -11.648 -13.858 -35.670 1.00 0.00 C ATOM 1496 CG GLU A 92 -11.824 -15.348 -35.421 1.00 0.00 C ATOM 1497 CD GLU A 92 -13.069 -15.667 -34.624 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -14.132 -15.071 -34.899 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -13.002 -16.535 -33.734 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.398 -11.427 -35.756 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.381 -13.162 -33.769 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.504 -13.494 -36.238 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.766 -13.708 -36.292 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.867 -15.869 -36.378 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.951 -15.728 -34.890 1.00 0.00 H new ATOM 1506 N GLU A 93 -9.101 -13.042 -34.093 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.857 -13.405 -33.442 1.00 0.00 C ATOM 1508 C GLU A 93 -7.735 -12.709 -32.087 1.00 0.00 C ATOM 1509 O GLU A 93 -7.190 -13.278 -31.135 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.663 -13.075 -34.333 1.00 0.00 C ATOM 1511 CG GLU A 93 -5.367 -13.724 -33.876 1.00 0.00 C ATOM 1512 CD GLU A 93 -4.255 -13.565 -34.879 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -4.514 -13.742 -36.093 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -3.110 -13.289 -34.468 1.00 0.00 O1- ATOM 0 H GLU A 93 -8.992 -12.464 -34.926 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.862 -14.482 -33.271 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.881 -13.395 -35.352 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.528 -11.994 -34.361 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.060 -13.285 -32.926 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.540 -14.785 -33.696 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.260 -11.485 -32.001 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.257 -10.731 -30.752 1.00 0.00 C ATOM 1523 C LEU A 94 -9.029 -11.488 -29.683 1.00 0.00 C ATOM 1524 O LEU A 94 -8.564 -11.643 -28.554 1.00 0.00 O ATOM 1525 CB LEU A 94 -8.890 -9.343 -30.945 1.00 0.00 C ATOM 1526 CG LEU A 94 -8.015 -8.281 -31.614 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.838 -7.044 -31.937 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.855 -7.913 -30.711 1.00 0.00 C ATOM 0 H LEU A 94 -8.693 -10.997 -32.785 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.221 -10.605 -30.439 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.797 -9.461 -31.538 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.195 -8.968 -29.968 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.621 -8.691 -32.544 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.202 -6.298 -32.412 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.649 -7.313 -32.613 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.254 -6.633 -31.017 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.240 -7.157 -31.199 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.238 -7.518 -29.770 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.252 -8.799 -30.514 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.211 -11.959 -30.054 1.00 0.00 N ATOM 1541 CA GLU A 95 -11.074 -12.693 -29.141 1.00 0.00 C ATOM 1542 C GLU A 95 -10.408 -13.972 -28.639 1.00 0.00 C ATOM 1543 O GLU A 95 -10.447 -14.269 -27.448 1.00 0.00 O ATOM 1544 CB GLU A 95 -12.409 -13.021 -29.814 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.199 -11.793 -30.234 1.00 0.00 C ATOM 1546 CD GLU A 95 -14.536 -12.138 -30.841 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -14.623 -12.249 -32.082 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -15.512 -12.294 -30.082 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.597 -11.844 -30.991 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.258 -12.053 -28.278 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.221 -13.639 -30.692 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.015 -13.615 -29.130 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.354 -11.152 -29.366 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.615 -11.220 -30.954 1.00 0.00 H new ATOM 1555 N GLN A 96 -9.761 -14.701 -29.541 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.134 -15.976 -29.193 1.00 0.00 C ATOM 1557 C GLN A 96 -7.986 -15.777 -28.209 1.00 0.00 C ATOM 1558 O GLN A 96 -7.865 -16.503 -27.218 1.00 0.00 O ATOM 1559 CB GLN A 96 -8.598 -16.651 -30.453 1.00 0.00 C ATOM 1560 CG GLN A 96 -9.654 -16.962 -31.494 1.00 0.00 C ATOM 1561 CD GLN A 96 -9.048 -17.454 -32.792 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -7.938 -17.060 -33.163 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -9.757 -18.317 -33.483 1.00 0.00 N ATOM 0 H GLN A 96 -9.655 -14.433 -30.520 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.891 -16.604 -28.724 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.842 -16.007 -30.902 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.100 -17.578 -30.170 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.336 -17.718 -31.104 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.246 -16.068 -31.687 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.670 -18.617 -33.141 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.395 -18.687 -34.362 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.167 -14.782 -28.489 1.00 0.00 N ATOM 1573 CA ALA A 97 -5.997 -14.491 -27.671 1.00 0.00 C ATOM 1574 C ALA A 97 -6.399 -13.914 -26.320 1.00 0.00 C ATOM 1575 O ALA A 97 -5.848 -14.293 -25.292 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.053 -13.550 -28.402 1.00 0.00 C ATOM 0 H ALA A 97 -7.289 -14.154 -29.284 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.473 -15.429 -27.488 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.186 -13.345 -27.775 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.726 -14.013 -29.333 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.570 -12.616 -28.623 1.00 0.00 H new ATOM 1582 N LEU A 98 -7.384 -13.021 -26.323 1.00 0.00 N ATOM 1583 CA LEU A 98 -7.841 -12.388 -25.089 1.00 0.00 C ATOM 1584 C LEU A 98 -8.375 -13.424 -24.118 1.00 0.00 C ATOM 1585 O LEU A 98 -8.035 -13.416 -22.928 1.00 0.00 O ATOM 1586 CB LEU A 98 -8.910 -11.321 -25.383 1.00 0.00 C ATOM 1587 CG LEU A 98 -9.584 -10.686 -24.156 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -9.763 -9.197 -24.361 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -10.934 -11.341 -23.886 1.00 0.00 C ATOM 0 H LEU A 98 -7.880 -12.720 -27.162 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.986 -11.895 -24.627 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.450 -10.527 -25.972 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.683 -11.772 -26.005 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.939 -10.847 -23.292 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.242 -8.764 -23.483 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.789 -8.731 -24.511 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.387 -9.023 -25.237 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.395 -10.878 -23.014 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.582 -11.209 -24.752 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.791 -12.405 -23.699 1.00 0.00 H new ATOM 1601 N GLN A 99 -9.207 -14.317 -24.624 1.00 0.00 N ATOM 1602 CA GLN A 99 -9.764 -15.375 -23.811 1.00 0.00 C ATOM 1603 C GLN A 99 -8.667 -16.287 -23.280 1.00 0.00 C ATOM 1604 O GLN A 99 -8.798 -16.848 -22.197 1.00 0.00 O ATOM 1605 CB GLN A 99 -10.792 -16.180 -24.603 1.00 0.00 C ATOM 1606 CG GLN A 99 -11.979 -15.356 -25.075 1.00 0.00 C ATOM 1607 CD GLN A 99 -12.932 -16.151 -25.943 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -12.533 -17.094 -26.621 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -14.196 -15.768 -25.935 1.00 0.00 N ATOM 0 H GLN A 99 -9.510 -14.327 -25.598 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.267 -14.916 -22.960 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.303 -16.626 -25.469 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.154 -17.001 -23.984 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.517 -14.972 -24.209 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.618 -14.493 -25.634 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -14.486 -14.979 -25.357 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.882 -16.261 -26.507 1.00 0.00 H new ATOM 1618 N LYS A 100 -7.580 -16.429 -24.040 1.00 0.00 N ATOM 1619 CA LYS A 100 -6.458 -17.270 -23.644 1.00 0.00 C ATOM 1620 C LYS A 100 -5.630 -16.638 -22.533 1.00 0.00 C ATOM 1621 O LYS A 100 -5.248 -17.308 -21.583 1.00 0.00 O ATOM 1622 CB LYS A 100 -5.580 -17.583 -24.852 1.00 0.00 C ATOM 1623 CG LYS A 100 -6.016 -18.821 -25.600 1.00 0.00 C ATOM 1624 CD LYS A 100 -5.633 -20.061 -24.829 1.00 0.00 C ATOM 1625 CE LYS A 100 -6.373 -21.293 -25.321 1.00 0.00 C ATOM 1626 NZ LYS A 100 -7.824 -21.247 -24.986 1.00 0.00 N1+ ATOM 0 H LYS A 100 -7.456 -15.966 -24.941 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.870 -18.199 -23.250 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.593 -16.732 -25.533 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.549 -17.711 -24.521 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.095 -18.800 -25.755 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.553 -18.840 -26.586 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.559 -20.225 -24.917 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.846 -19.909 -23.771 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.253 -21.380 -26.401 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.927 -22.184 -24.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.189 -22.216 -24.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.957 -20.736 -24.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.340 -20.757 -25.744 1.00 0.00 H new ATOM 1640 N ILE A 101 -5.349 -15.352 -22.667 1.00 0.00 N ATOM 1641 CA ILE A 101 -4.542 -14.632 -21.684 1.00 0.00 C ATOM 1642 C ILE A 101 -5.199 -14.661 -20.310 1.00 0.00 C ATOM 1643 O ILE A 101 -4.548 -14.960 -19.308 1.00 0.00 O ATOM 1644 CB ILE A 101 -4.331 -13.166 -22.121 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -3.592 -13.124 -23.454 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -3.555 -12.391 -21.057 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -3.628 -11.776 -24.124 1.00 0.00 C ATOM 0 H ILE A 101 -5.667 -14.780 -23.449 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.575 -15.132 -21.623 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.306 -12.694 -22.241 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.553 -13.412 -23.293 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.028 -13.865 -24.124 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.417 -11.361 -21.385 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.112 -12.402 -20.120 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.581 -12.857 -20.906 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.082 -11.823 -25.066 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.663 -11.494 -24.318 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.165 -11.034 -23.473 1.00 0.00 H new ATOM 1659 N ARG A 102 -6.495 -14.379 -20.272 1.00 0.00 N ATOM 1660 CA ARG A 102 -7.238 -14.398 -19.019 1.00 0.00 C ATOM 1661 C ARG A 102 -7.297 -15.826 -18.482 1.00 0.00 C ATOM 1662 O ARG A 102 -7.305 -16.058 -17.274 1.00 0.00 O ATOM 1663 CB ARG A 102 -8.654 -13.862 -19.232 1.00 0.00 C ATOM 1664 CG ARG A 102 -9.394 -13.541 -17.943 1.00 0.00 C ATOM 1665 CD ARG A 102 -10.840 -13.177 -18.215 1.00 0.00 C ATOM 1666 NE ARG A 102 -11.493 -12.591 -17.041 1.00 0.00 N ATOM 1667 CZ ARG A 102 -12.800 -12.683 -16.784 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -13.594 -13.378 -17.600 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -13.315 -12.081 -15.716 1.00 0.00 N ATOM 0 H ARG A 102 -7.052 -14.135 -21.091 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.730 -13.760 -18.296 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.602 -12.961 -19.843 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.229 -14.597 -19.796 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.353 -14.400 -17.274 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.899 -12.715 -17.433 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.885 -12.471 -19.044 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.385 -14.068 -18.525 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.911 -12.080 -16.377 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.203 -13.840 -18.421 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.592 -13.448 -17.403 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.711 -11.547 -15.091 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.314 -12.153 -15.522 1.00 0.00 H new ATOM 1683 N GLU A 103 -7.320 -16.768 -19.408 1.00 0.00 N ATOM 1684 CA GLU A 103 -7.375 -18.183 -19.097 1.00 0.00 C ATOM 1685 C GLU A 103 -6.068 -18.637 -18.441 1.00 0.00 C ATOM 1686 O GLU A 103 -6.081 -19.314 -17.416 1.00 0.00 O ATOM 1687 CB GLU A 103 -7.600 -18.953 -20.401 1.00 0.00 C ATOM 1688 CG GLU A 103 -7.778 -20.448 -20.262 1.00 0.00 C ATOM 1689 CD GLU A 103 -7.831 -21.129 -21.616 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -6.880 -21.847 -21.959 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -8.820 -20.925 -22.359 1.00 0.00 O1- ATOM 0 H GLU A 103 -7.301 -16.568 -20.408 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.190 -18.376 -18.399 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.483 -18.546 -20.893 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.753 -18.767 -21.061 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.956 -20.861 -19.678 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.696 -20.657 -19.712 1.00 0.00 H new ATOM 1698 N LEU A 104 -4.944 -18.235 -19.022 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.633 -18.631 -18.527 1.00 0.00 C ATOM 1700 C LEU A 104 -3.264 -17.897 -17.244 1.00 0.00 C ATOM 1701 O LEU A 104 -2.736 -18.498 -16.311 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.570 -18.374 -19.598 1.00 0.00 C ATOM 1703 CG LEU A 104 -2.686 -19.211 -20.873 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -1.636 -18.785 -21.885 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -2.553 -20.694 -20.557 1.00 0.00 C ATOM 0 H LEU A 104 -4.916 -17.630 -19.843 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.675 -19.696 -18.299 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.608 -17.320 -19.874 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.589 -18.553 -19.158 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.672 -19.042 -21.306 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.732 -19.390 -22.786 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.779 -17.734 -22.137 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.642 -18.924 -21.459 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.638 -21.271 -21.478 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.582 -20.883 -20.099 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.343 -20.991 -19.868 1.00 0.00 H new ATOM 1717 N ALA A 105 -3.550 -16.601 -17.200 1.00 0.00 N ATOM 1718 CA ALA A 105 -3.209 -15.771 -16.042 1.00 0.00 C ATOM 1719 C ALA A 105 -3.924 -16.225 -14.773 1.00 0.00 C ATOM 1720 O ALA A 105 -3.462 -15.960 -13.661 1.00 0.00 O ATOM 1721 CB ALA A 105 -3.522 -14.314 -16.330 1.00 0.00 C ATOM 0 H ALA A 105 -4.019 -16.098 -17.953 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.139 -15.884 -15.867 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.264 -13.708 -15.462 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.942 -13.980 -17.191 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.585 -14.206 -16.545 1.00 0.00 H new