USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 664 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 51 MET CE :methyl -167:sc= -6.76! (180deg=-8.15!) USER MOD Set 1.2: A 52 SER OG : rot -176:sc= -3.83! USER MOD Set 2.1: A 43 ASN : amide:sc= -1.86! C(o=-0.65!,f=-4.4!) USER MOD Set 2.2: A 46 SER OG : rot 96:sc= 1.21 USER MOD Set 3.1: A 37 LYS NZ :NH3+ 176:sc= 0.913 (180deg=0) USER MOD Set 3.2: A 40 LYS NZ :NH3+ -166:sc= 0 (180deg=0) USER MOD Set 3.3: A 56 SER OG : rot 77:sc= 1.83 USER MOD Set 4.1: A 4 GLN : amide:sc= -3.4! C(o=-5.8!,f=-15!) USER MOD Set 4.2: A 71 GLN : amide:sc= -2.43 K(o=-5.8,f=-7!) USER MOD Set 5.1: A 3 GLN : amide:sc= -4.47! C(o=-4.5!,f=-8.8!) USER MOD Set 5.2: A 66 GLN :FLIP amide:sc= 0.0031 F(o=-5.2,f=-4.5) USER MOD Single : A 5 LYS NZ :NH3+ 160:sc= 0.405 (180deg=-0.216) USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 1.5 (180deg=1.25) USER MOD Single : A 12 THR OG1 : rot -159:sc= -2.92! USER MOD Single : A 15 GLN : amide:sc= 1.17 K(o=1.2,f=-0.00039) USER MOD Single : A 24 GLN : amide:sc= -1.88 K(o=-1.9,f=-4.3!) USER MOD Single : A 27 ASN : amide:sc= -5.15! C(o=-5.1!,f=-7.1!) USER MOD Single : A 30 THR OG1 : rot -104:sc= 1.27 USER MOD Single : A 31 SER OG : rot 180:sc= -0.271 USER MOD Single : A 41 LYS NZ :NH3+ 160:sc=7.14e-06 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -122:sc= -5.36! (180deg=-6.37!) USER MOD Single : A 48 MET CE :methyl -152:sc= -1.09 (180deg=-2.42!) USER MOD Single : A 57 THR OG1 : rot -104:sc= -3.87! USER MOD Single : A 59 THR OG1 : rot 64:sc= -2.24! USER MOD Single : A 62 THR OG1 : rot -149:sc= -3.38! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 110:sc= -2.04! USER MOD Single : A 82 GLN :FLIP amide:sc= -4.98! C(o=-7!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.644 5.779 -2.752 1.00 0.00 N ATOM 2 CA VAL A 2 -18.260 5.076 -1.631 1.00 0.00 C ATOM 3 C VAL A 2 -17.221 4.163 -0.983 1.00 0.00 C ATOM 4 O VAL A 2 -16.522 3.434 -1.683 1.00 0.00 O ATOM 5 CB VAL A 2 -19.485 4.292 -2.111 1.00 0.00 C ATOM 6 CG1 VAL A 2 -20.583 5.268 -2.524 1.00 0.00 C ATOM 7 CG2 VAL A 2 -19.140 3.405 -3.306 1.00 0.00 C ATOM 0 HA VAL A 2 -18.604 5.791 -0.883 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.824 3.659 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.455 4.711 -2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.859 5.887 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.220 5.904 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -20.029 2.861 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -18.781 4.025 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -18.364 2.695 -3.020 1.00 0.00 H new ATOM 19 N GLN A 3 -17.077 4.233 0.340 1.00 0.00 N ATOM 20 CA GLN A 3 -16.013 3.505 0.998 1.00 0.00 C ATOM 21 C GLN A 3 -16.491 2.352 1.867 1.00 0.00 C ATOM 22 O GLN A 3 -17.491 2.450 2.573 1.00 0.00 O ATOM 23 CB GLN A 3 -15.216 4.478 1.870 1.00 0.00 C ATOM 24 CG GLN A 3 -13.961 3.792 2.416 1.00 0.00 C ATOM 25 CD GLN A 3 -13.303 4.584 3.533 1.00 0.00 C ATOM 26 OE1 GLN A 3 -12.822 4.001 4.498 1.00 0.00 O ATOM 27 NE2 GLN A 3 -13.266 5.908 3.413 1.00 0.00 N ATOM 0 H GLN A 3 -17.676 4.778 0.961 1.00 0.00 H new ATOM 0 HA GLN A 3 -15.404 3.067 0.207 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.935 5.355 1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.835 4.829 2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.224 2.801 2.785 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.246 3.651 1.605 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.677 6.358 2.595 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.826 6.474 4.139 1.00 0.00 H new ATOM 36 N GLN A 4 -15.700 1.283 1.842 1.00 0.00 N ATOM 37 CA GLN A 4 -15.791 0.148 2.732 1.00 0.00 C ATOM 38 C GLN A 4 -14.353 -0.312 2.939 1.00 0.00 C ATOM 39 O GLN A 4 -13.477 0.028 2.137 1.00 0.00 O ATOM 40 CB GLN A 4 -16.608 -0.981 2.118 1.00 0.00 C ATOM 41 CG GLN A 4 -18.048 -0.586 1.822 1.00 0.00 C ATOM 42 CD GLN A 4 -18.785 -1.780 1.240 1.00 0.00 C ATOM 43 OE1 GLN A 4 -18.400 -2.925 1.470 1.00 0.00 O ATOM 44 NE2 GLN A 4 -19.835 -1.535 0.463 1.00 0.00 N ATOM 0 H GLN A 4 -14.944 1.188 1.164 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.287 0.420 3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.130 -1.306 1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.604 -1.834 2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.540 -0.249 2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.072 0.248 1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -20.129 -0.574 0.292 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -20.347 -2.308 0.038 1.00 0.00 H new ATOM 53 N LYS A 5 -14.099 -1.076 3.997 1.00 0.00 N ATOM 54 CA LYS A 5 -12.787 -1.600 4.280 1.00 0.00 C ATOM 55 C LYS A 5 -12.964 -2.827 5.154 1.00 0.00 C ATOM 56 O LYS A 5 -13.743 -2.802 6.106 1.00 0.00 O ATOM 57 CB LYS A 5 -11.956 -0.515 4.952 1.00 0.00 C ATOM 58 CG LYS A 5 -12.753 0.177 6.055 1.00 0.00 C ATOM 59 CD LYS A 5 -12.150 1.555 6.307 1.00 0.00 C ATOM 60 CE LYS A 5 -12.777 2.207 7.535 1.00 0.00 C ATOM 61 NZ LYS A 5 -12.487 1.422 8.747 1.00 0.00 N ATOM 0 H LYS A 5 -14.808 -1.345 4.679 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.256 -1.895 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.050 -0.953 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.641 0.219 4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.799 0.271 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.729 -0.418 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.073 1.465 6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.305 2.189 5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.392 3.220 7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.855 2.289 7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.612 2.022 9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.137 0.612 8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.507 1.077 8.711 1.00 0.00 H new ATOM 75 N VAL A 6 -12.276 -3.908 4.813 1.00 0.00 N ATOM 76 CA VAL A 6 -12.359 -5.134 5.581 1.00 0.00 C ATOM 77 C VAL A 6 -10.999 -5.394 6.213 1.00 0.00 C ATOM 78 O VAL A 6 -9.977 -5.349 5.533 1.00 0.00 O ATOM 79 CB VAL A 6 -12.846 -6.282 4.694 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.330 -6.078 4.404 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.102 -6.315 3.362 1.00 0.00 C ATOM 0 H VAL A 6 -11.654 -3.957 4.006 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.091 -5.047 6.384 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.665 -7.220 5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.692 -6.889 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.886 -6.072 5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.473 -5.127 3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.474 -7.143 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.264 -5.377 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.036 -6.449 3.544 1.00 0.00 H new ATOM 91 N GLU A 7 -10.963 -5.594 7.528 1.00 0.00 N ATOM 92 CA GLU A 7 -9.692 -5.811 8.186 1.00 0.00 C ATOM 93 C GLU A 7 -9.307 -7.283 8.171 1.00 0.00 C ATOM 94 O GLU A 7 -10.153 -8.171 8.244 1.00 0.00 O ATOM 95 CB GLU A 7 -9.706 -5.191 9.586 1.00 0.00 C ATOM 96 CG GLU A 7 -8.398 -5.388 10.360 1.00 0.00 C ATOM 97 CD GLU A 7 -8.378 -6.708 11.119 1.00 0.00 C ATOM 98 OE1 GLU A 7 -9.374 -6.968 11.826 1.00 0.00 O ATOM 99 OE2 GLU A 7 -7.369 -7.430 10.977 1.00 0.00 O ATOM 0 H GLU A 7 -11.779 -5.609 8.139 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.907 -5.300 7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.909 -4.124 9.499 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.526 -5.626 10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.558 -5.356 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.264 -4.564 11.061 1.00 0.00 H new ATOM 106 N VAL A 8 -8.001 -7.496 8.065 1.00 0.00 N ATOM 107 CA VAL A 8 -7.321 -8.769 7.979 1.00 0.00 C ATOM 108 C VAL A 8 -5.878 -8.568 8.404 1.00 0.00 C ATOM 109 O VAL A 8 -5.366 -7.454 8.339 1.00 0.00 O ATOM 110 CB VAL A 8 -7.346 -9.230 6.528 1.00 0.00 C ATOM 111 CG1 VAL A 8 -8.731 -9.778 6.274 1.00 0.00 C ATOM 112 CG2 VAL A 8 -7.081 -8.071 5.565 1.00 0.00 C ATOM 0 H VAL A 8 -7.344 -6.717 8.035 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.804 -9.508 8.618 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.569 -9.976 6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.802 -10.124 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.922 -10.611 6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.469 -8.995 6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.106 -8.438 4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.847 -7.306 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.101 -7.642 5.773 1.00 0.00 H new ATOM 122 N ARG A 9 -5.190 -9.626 8.822 1.00 0.00 N ATOM 123 CA ARG A 9 -3.798 -9.421 9.173 1.00 0.00 C ATOM 124 C ARG A 9 -2.988 -9.295 7.900 1.00 0.00 C ATOM 125 O ARG A 9 -3.250 -9.953 6.894 1.00 0.00 O ATOM 126 CB ARG A 9 -3.236 -10.511 10.080 1.00 0.00 C ATOM 127 CG ARG A 9 -1.813 -10.165 10.524 1.00 0.00 C ATOM 128 CD ARG A 9 -1.358 -11.198 11.551 1.00 0.00 C ATOM 129 NE ARG A 9 -2.202 -11.108 12.742 1.00 0.00 N ATOM 130 CZ ARG A 9 -2.185 -11.977 13.757 1.00 0.00 C ATOM 131 NH1 ARG A 9 -1.364 -13.032 13.725 1.00 0.00 N ATOM 132 NH2 ARG A 9 -2.996 -11.776 14.801 1.00 0.00 N ATOM 0 H ARG A 9 -5.548 -10.576 8.921 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.731 -8.501 9.754 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.876 -10.630 10.954 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.236 -11.465 9.553 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.140 -10.162 9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.784 -9.165 10.956 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.417 -12.200 11.125 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.315 -11.026 11.818 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.852 -10.324 12.802 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.748 -13.175 12.924 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.353 -13.694 14.501 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.617 -10.967 14.816 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.993 -12.431 15.583 1.00 0.00 H new ATOM 146 N LEU A 10 -1.991 -8.429 7.968 1.00 0.00 N ATOM 147 CA LEU A 10 -1.097 -8.140 6.883 1.00 0.00 C ATOM 148 C LEU A 10 -0.144 -9.316 6.725 1.00 0.00 C ATOM 149 O LEU A 10 1.028 -9.233 7.072 1.00 0.00 O ATOM 150 CB LEU A 10 -0.396 -6.842 7.274 1.00 0.00 C ATOM 151 CG LEU A 10 0.352 -6.159 6.143 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.538 -6.050 4.911 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.686 -4.767 6.661 1.00 0.00 C ATOM 0 H LEU A 10 -1.783 -7.895 8.812 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.588 -8.009 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.138 -6.149 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.306 -7.053 8.081 1.00 0.00 H new ATOM 0 HG LEU A 10 1.243 -6.716 5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.011 -5.558 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.837 -7.047 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.426 -5.466 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.229 -4.214 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.236 -4.239 6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.304 -4.850 7.555 1.00 0.00 H new ATOM 165 N LYS A 11 -0.652 -10.418 6.187 1.00 0.00 N ATOM 166 CA LYS A 11 0.077 -11.661 6.050 1.00 0.00 C ATOM 167 C LYS A 11 1.156 -11.543 4.974 1.00 0.00 C ATOM 168 O LYS A 11 2.098 -12.338 4.946 1.00 0.00 O ATOM 169 CB LYS A 11 -0.962 -12.744 5.765 1.00 0.00 C ATOM 170 CG LYS A 11 -0.347 -14.038 5.259 1.00 0.00 C ATOM 171 CD LYS A 11 -0.112 -13.947 3.753 1.00 0.00 C ATOM 172 CE LYS A 11 -1.314 -13.233 3.146 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.289 -13.198 1.679 1.00 0.00 N ATOM 0 H LYS A 11 -1.605 -10.467 5.827 1.00 0.00 H new ATOM 0 HA LYS A 11 0.622 -11.920 6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.526 -12.948 6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.673 -12.373 5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.596 -14.228 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.007 -14.876 5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.807 -13.400 3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.002 -14.942 3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.227 -13.729 3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.351 -12.212 3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.056 -12.586 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.374 -12.823 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.419 -14.160 1.307 1.00 0.00 H new ATOM 187 N THR A 12 1.029 -10.567 4.075 1.00 0.00 N ATOM 188 CA THR A 12 2.115 -10.290 3.161 1.00 0.00 C ATOM 189 C THR A 12 3.131 -9.389 3.848 1.00 0.00 C ATOM 190 O THR A 12 4.324 -9.669 3.936 1.00 0.00 O ATOM 191 CB THR A 12 1.620 -9.550 1.916 1.00 0.00 C ATOM 192 OG1 THR A 12 0.836 -8.418 2.260 1.00 0.00 O ATOM 193 CG2 THR A 12 0.792 -10.468 1.039 1.00 0.00 C ATOM 0 H THR A 12 0.206 -9.975 3.968 1.00 0.00 H new ATOM 0 HA THR A 12 2.554 -11.244 2.870 1.00 0.00 H new ATOM 0 HB THR A 12 2.504 -9.218 1.372 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.269 -8.170 1.500 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.451 -9.921 0.160 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.400 -11.317 0.725 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.070 -10.827 1.600 1.00 0.00 H new ATOM 201 N GLY A 13 2.617 -8.268 4.346 1.00 0.00 N ATOM 202 CA GLY A 13 3.452 -7.157 4.744 1.00 0.00 C ATOM 203 C GLY A 13 3.947 -6.492 3.462 1.00 0.00 C ATOM 204 O GLY A 13 5.074 -6.014 3.400 1.00 0.00 O ATOM 0 H GLY A 13 1.618 -8.112 4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.889 -6.450 5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.291 -7.502 5.349 1.00 0.00 H new ATOM 208 N LEU A 14 3.111 -6.559 2.418 1.00 0.00 N ATOM 209 CA LEU A 14 3.262 -5.889 1.139 1.00 0.00 C ATOM 210 C LEU A 14 4.708 -5.900 0.658 1.00 0.00 C ATOM 211 O LEU A 14 5.329 -4.847 0.520 1.00 0.00 O ATOM 212 CB LEU A 14 2.662 -4.490 1.200 1.00 0.00 C ATOM 213 CG LEU A 14 1.127 -4.493 1.086 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.610 -5.048 -0.234 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.466 -5.316 2.185 1.00 0.00 C ATOM 0 H LEU A 14 2.260 -7.120 2.456 1.00 0.00 H new ATOM 0 HA LEU A 14 2.703 -6.447 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.951 -4.016 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.080 -3.885 0.396 1.00 0.00 H new ATOM 0 HG LEU A 14 0.865 -3.438 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.480 -5.018 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.994 -4.446 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.945 -6.079 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.616 -5.287 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.810 -6.348 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.731 -4.903 3.158 1.00 0.00 H new ATOM 227 N GLN A 15 5.242 -7.087 0.386 1.00 0.00 N ATOM 228 CA GLN A 15 6.657 -7.160 0.090 1.00 0.00 C ATOM 229 C GLN A 15 6.995 -7.251 -1.393 1.00 0.00 C ATOM 230 O GLN A 15 7.539 -6.300 -1.949 1.00 0.00 O ATOM 231 CB GLN A 15 7.298 -8.291 0.887 1.00 0.00 C ATOM 232 CG GLN A 15 7.070 -8.082 2.385 1.00 0.00 C ATOM 233 CD GLN A 15 7.807 -9.139 3.190 1.00 0.00 C ATOM 234 OE1 GLN A 15 9.032 -9.127 3.258 1.00 0.00 O ATOM 235 NE2 GLN A 15 7.084 -10.082 3.782 1.00 0.00 N ATOM 0 H GLN A 15 4.737 -7.973 0.366 1.00 0.00 H new ATOM 0 HA GLN A 15 7.083 -6.207 0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.876 -9.247 0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.367 -8.332 0.677 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.414 -7.090 2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.004 -8.127 2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.067 -10.066 3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.546 -10.822 4.311 1.00 0.00 H new ATOM 244 N ALA A 16 6.726 -8.380 -2.049 1.00 0.00 N ATOM 245 CA ALA A 16 7.176 -8.515 -3.425 1.00 0.00 C ATOM 246 C ALA A 16 6.245 -9.295 -4.346 1.00 0.00 C ATOM 247 O ALA A 16 6.424 -9.247 -5.563 1.00 0.00 O ATOM 248 CB ALA A 16 8.557 -9.166 -3.423 1.00 0.00 C ATOM 0 H ALA A 16 6.221 -9.180 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 16 7.195 -7.505 -3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.909 -9.275 -4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.253 -8.541 -2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.496 -10.148 -2.954 1.00 0.00 H new ATOM 254 N ARG A 17 5.271 -10.037 -3.823 1.00 0.00 N ATOM 255 CA ARG A 17 4.430 -10.800 -4.724 1.00 0.00 C ATOM 256 C ARG A 17 2.954 -10.605 -4.415 1.00 0.00 C ATOM 257 O ARG A 17 2.280 -9.856 -5.124 1.00 0.00 O ATOM 258 CB ARG A 17 4.880 -12.260 -4.725 1.00 0.00 C ATOM 259 CG ARG A 17 4.337 -13.003 -5.944 1.00 0.00 C ATOM 260 CD ARG A 17 4.648 -12.218 -7.219 1.00 0.00 C ATOM 261 NE ARG A 17 3.519 -11.367 -7.603 1.00 0.00 N ATOM 262 CZ ARG A 17 3.606 -10.071 -7.933 1.00 0.00 C ATOM 263 NH1 ARG A 17 4.733 -9.379 -7.728 1.00 0.00 N ATOM 264 NH2 ARG A 17 2.544 -9.463 -8.472 1.00 0.00 N ATOM 0 H ARG A 17 5.055 -10.122 -2.830 1.00 0.00 H new ATOM 0 HA ARG A 17 4.549 -10.428 -5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.969 -12.308 -4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.537 -12.750 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.781 -13.997 -6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.260 -13.141 -5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.535 -11.603 -7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.878 -12.910 -8.029 1.00 0.00 H new ATOM 0 HE ARG A 17 2.593 -11.795 -7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.545 -9.837 -7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.780 -8.393 -7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.682 -9.985 -8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.596 -8.477 -8.728 1.00 0.00 H new ATOM 278 N PRO A 18 2.442 -11.241 -3.353 1.00 0.00 N ATOM 279 CA PRO A 18 1.063 -11.106 -2.929 1.00 0.00 C ATOM 280 C PRO A 18 0.695 -9.641 -2.828 1.00 0.00 C ATOM 281 O PRO A 18 -0.252 -9.212 -3.471 1.00 0.00 O ATOM 282 CB PRO A 18 0.966 -11.805 -1.580 1.00 0.00 C ATOM 283 CG PRO A 18 2.404 -11.733 -1.073 1.00 0.00 C ATOM 284 CD PRO A 18 3.202 -11.948 -2.349 1.00 0.00 C ATOM 0 HA PRO A 18 0.368 -11.553 -3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.272 -11.299 -0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.621 -12.834 -1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.626 -10.771 -0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.612 -12.500 -0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.213 -11.552 -2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.295 -13.007 -2.589 1.00 0.00 H new ATOM 292 N ALA A 19 1.492 -8.867 -2.095 1.00 0.00 N ATOM 293 CA ALA A 19 1.297 -7.441 -1.947 1.00 0.00 C ATOM 294 C ALA A 19 1.203 -6.706 -3.268 1.00 0.00 C ATOM 295 O ALA A 19 0.387 -5.798 -3.411 1.00 0.00 O ATOM 296 CB ALA A 19 2.552 -6.910 -1.316 1.00 0.00 C ATOM 0 H ALA A 19 2.299 -9.224 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 19 0.375 -7.292 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.463 -5.832 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.703 -7.388 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.403 -7.124 -1.963 1.00 0.00 H new ATOM 302 N ALA A 20 2.086 -7.063 -4.201 1.00 0.00 N ATOM 303 CA ALA A 20 2.104 -6.467 -5.524 1.00 0.00 C ATOM 304 C ALA A 20 0.758 -6.746 -6.172 1.00 0.00 C ATOM 305 O ALA A 20 0.142 -5.856 -6.749 1.00 0.00 O ATOM 306 CB ALA A 20 3.252 -7.056 -6.336 1.00 0.00 C ATOM 0 H ALA A 20 2.804 -7.772 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 20 2.263 -5.390 -5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.263 -6.607 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.197 -6.849 -5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.118 -8.134 -6.427 1.00 0.00 H new ATOM 312 N LEU A 21 0.293 -7.986 -6.026 1.00 0.00 N ATOM 313 CA LEU A 21 -1.015 -8.416 -6.476 1.00 0.00 C ATOM 314 C LEU A 21 -2.104 -7.569 -5.817 1.00 0.00 C ATOM 315 O LEU A 21 -3.034 -7.141 -6.496 1.00 0.00 O ATOM 316 CB LEU A 21 -1.164 -9.888 -6.121 1.00 0.00 C ATOM 317 CG LEU A 21 -2.108 -10.559 -7.110 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.918 -12.073 -7.088 1.00 0.00 C ATOM 319 CD2 LEU A 21 -3.535 -10.200 -6.715 1.00 0.00 C ATOM 0 H LEU A 21 0.832 -8.729 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.118 -8.287 -7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.191 -10.378 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.550 -9.991 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.897 -10.213 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.601 -12.536 -7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.891 -12.315 -7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.127 -12.451 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.233 -10.669 -7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.733 -10.556 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.661 -9.118 -6.749 1.00 0.00 H new ATOM 331 N PHE A 22 -1.975 -7.339 -4.507 1.00 0.00 N ATOM 332 CA PHE A 22 -2.854 -6.506 -3.688 1.00 0.00 C ATOM 333 C PHE A 22 -2.973 -5.123 -4.274 1.00 0.00 C ATOM 334 O PHE A 22 -4.060 -4.721 -4.660 1.00 0.00 O ATOM 335 CB PHE A 22 -2.232 -6.341 -2.313 1.00 0.00 C ATOM 336 CG PHE A 22 -2.216 -7.598 -1.507 1.00 0.00 C ATOM 337 CD1 PHE A 22 -2.774 -8.779 -2.022 1.00 0.00 C ATOM 338 CD2 PHE A 22 -1.508 -7.608 -0.303 1.00 0.00 C ATOM 339 CE1 PHE A 22 -2.517 -9.996 -1.379 1.00 0.00 C ATOM 340 CE2 PHE A 22 -1.340 -8.815 0.386 1.00 0.00 C ATOM 341 CZ PHE A 22 -1.786 -10.019 -0.186 1.00 0.00 C ATOM 0 H PHE A 22 -1.216 -7.750 -3.964 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.832 -6.985 -3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.210 -5.980 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.781 -5.575 -1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.395 -8.749 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.094 -6.693 0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.884 -10.918 -1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.868 -8.821 1.357 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.565 -10.961 0.295 1.00 0.00 H new ATOM 351 N VAL A 23 -1.867 -4.382 -4.307 1.00 0.00 N ATOM 352 CA VAL A 23 -1.860 -3.043 -4.859 1.00 0.00 C ATOM 353 C VAL A 23 -2.417 -3.092 -6.280 1.00 0.00 C ATOM 354 O VAL A 23 -3.244 -2.264 -6.646 1.00 0.00 O ATOM 355 CB VAL A 23 -0.440 -2.488 -4.780 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.350 -1.152 -5.507 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.072 -2.284 -3.309 1.00 0.00 C ATOM 0 H VAL A 23 -0.963 -4.695 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.499 -2.367 -4.291 1.00 0.00 H new ATOM 0 HB VAL A 23 0.246 -3.192 -5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.669 -0.770 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.619 -1.289 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.035 -0.440 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.941 -1.888 -3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.769 -1.581 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.125 -3.238 -2.785 1.00 0.00 H new ATOM 367 N GLN A 24 -1.996 -4.083 -7.063 1.00 0.00 N ATOM 368 CA GLN A 24 -2.457 -4.321 -8.413 1.00 0.00 C ATOM 369 C GLN A 24 -3.984 -4.365 -8.505 1.00 0.00 C ATOM 370 O GLN A 24 -4.574 -3.536 -9.187 1.00 0.00 O ATOM 371 CB GLN A 24 -1.857 -5.650 -8.856 1.00 0.00 C ATOM 372 CG GLN A 24 -2.453 -6.127 -10.175 1.00 0.00 C ATOM 373 CD GLN A 24 -2.562 -7.641 -10.193 1.00 0.00 C ATOM 374 OE1 GLN A 24 -2.244 -8.281 -11.189 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.058 -8.233 -9.109 1.00 0.00 N ATOM 0 H GLN A 24 -1.300 -4.762 -6.756 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.140 -3.503 -9.060 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.777 -5.544 -8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.030 -6.402 -8.086 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.439 -5.684 -10.317 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.831 -5.792 -11.004 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.314 -7.674 -8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.182 -9.245 -9.092 1.00 0.00 H new ATOM 384 N GLU A 25 -4.638 -5.327 -7.852 1.00 0.00 N ATOM 385 CA GLU A 25 -6.082 -5.494 -7.964 1.00 0.00 C ATOM 386 C GLU A 25 -6.836 -4.437 -7.173 1.00 0.00 C ATOM 387 O GLU A 25 -7.891 -3.996 -7.608 1.00 0.00 O ATOM 388 CB GLU A 25 -6.490 -6.922 -7.594 1.00 0.00 C ATOM 389 CG GLU A 25 -5.938 -7.306 -6.223 1.00 0.00 C ATOM 390 CD GLU A 25 -6.489 -8.632 -5.720 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.649 -8.938 -6.073 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.745 -9.301 -4.970 1.00 0.00 O ATOM 0 H GLU A 25 -4.185 -6.004 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.365 -5.341 -9.005 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.577 -7.005 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.120 -7.617 -8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.851 -7.366 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.179 -6.521 -5.506 1.00 0.00 H new ATOM 399 N ALA A 26 -6.296 -3.989 -6.043 1.00 0.00 N ATOM 400 CA ALA A 26 -6.853 -2.871 -5.305 1.00 0.00 C ATOM 401 C ALA A 26 -6.948 -1.682 -6.255 1.00 0.00 C ATOM 402 O ALA A 26 -7.960 -0.992 -6.279 1.00 0.00 O ATOM 403 CB ALA A 26 -5.931 -2.533 -4.140 1.00 0.00 C ATOM 0 H ALA A 26 -5.462 -4.393 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.840 -3.117 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.344 -1.693 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.843 -3.398 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.946 -2.265 -4.522 1.00 0.00 H new ATOM 409 N ASN A 27 -5.883 -1.478 -7.037 1.00 0.00 N ATOM 410 CA ASN A 27 -5.773 -0.474 -8.080 1.00 0.00 C ATOM 411 C ASN A 27 -6.735 -0.783 -9.205 1.00 0.00 C ATOM 412 O ASN A 27 -7.339 0.115 -9.781 1.00 0.00 O ATOM 413 CB ASN A 27 -4.384 -0.546 -8.687 1.00 0.00 C ATOM 414 CG ASN A 27 -3.509 0.588 -8.187 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.798 1.760 -8.405 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.448 0.230 -7.479 1.00 0.00 N ATOM 0 H ASN A 27 -5.037 -2.041 -6.949 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.983 0.501 -7.640 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.924 -1.502 -8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.456 -0.502 -9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.831 0.942 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.248 -0.758 -7.324 1.00 0.00 H new ATOM 423 N ARG A 28 -6.811 -2.073 -9.539 1.00 0.00 N ATOM 424 CA ARG A 28 -7.706 -2.610 -10.545 1.00 0.00 C ATOM 425 C ARG A 28 -9.101 -2.073 -10.263 1.00 0.00 C ATOM 426 O ARG A 28 -9.800 -1.592 -11.152 1.00 0.00 O ATOM 427 CB ARG A 28 -7.690 -4.125 -10.395 1.00 0.00 C ATOM 428 CG ARG A 28 -6.450 -4.756 -11.020 1.00 0.00 C ATOM 429 CD ARG A 28 -6.623 -6.274 -10.985 1.00 0.00 C ATOM 430 NE ARG A 28 -5.451 -6.962 -11.534 1.00 0.00 N ATOM 431 CZ ARG A 28 -5.158 -7.014 -12.840 1.00 0.00 C ATOM 432 NH1 ARG A 28 -5.951 -6.402 -13.726 1.00 0.00 N ATOM 433 NH2 ARG A 28 -4.075 -7.679 -13.257 1.00 0.00 N ATOM 0 H ARG A 28 -6.231 -2.787 -9.099 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.407 -2.329 -11.555 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.732 -4.383 -9.337 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.582 -4.543 -10.861 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.323 -4.411 -12.046 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.555 -4.462 -10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.788 -6.599 -9.958 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.510 -6.553 -11.554 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.821 -7.429 -10.882 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.778 -5.897 -13.407 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.729 -6.441 -14.721 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.472 -8.147 -12.580 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.852 -7.718 -14.252 1.00 0.00 H new ATOM 447 N PHE A 29 -9.483 -2.160 -8.994 1.00 0.00 N ATOM 448 CA PHE A 29 -10.695 -1.578 -8.488 1.00 0.00 C ATOM 449 C PHE A 29 -10.575 -0.069 -8.559 1.00 0.00 C ATOM 450 O PHE A 29 -9.706 0.538 -7.938 1.00 0.00 O ATOM 451 CB PHE A 29 -10.874 -2.017 -7.050 1.00 0.00 C ATOM 452 CG PHE A 29 -11.154 -3.493 -6.943 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.260 -4.026 -7.623 1.00 0.00 C ATOM 454 CD2 PHE A 29 -10.336 -4.326 -6.162 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.595 -5.377 -7.461 1.00 0.00 C ATOM 456 CE2 PHE A 29 -10.687 -5.673 -5.977 1.00 0.00 C ATOM 457 CZ PHE A 29 -11.840 -6.184 -6.596 1.00 0.00 C ATOM 0 H PHE A 29 -8.939 -2.650 -8.283 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.555 -1.899 -9.076 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.975 -1.776 -6.483 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.694 -1.458 -6.600 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.852 -3.396 -8.270 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.440 -3.932 -5.705 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.432 -5.796 -8.000 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.073 -6.314 -5.361 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.147 -7.202 -6.405 1.00 0.00 H new ATOM 467 N THR A 30 -11.493 0.548 -9.285 1.00 0.00 N ATOM 468 CA THR A 30 -11.506 1.992 -9.455 1.00 0.00 C ATOM 469 C THR A 30 -12.166 2.650 -8.242 1.00 0.00 C ATOM 470 O THR A 30 -13.202 3.308 -8.325 1.00 0.00 O ATOM 471 CB THR A 30 -12.117 2.327 -10.812 1.00 0.00 C ATOM 472 OG1 THR A 30 -12.025 3.706 -11.090 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.561 1.852 -10.922 1.00 0.00 C ATOM 0 H THR A 30 -12.248 0.064 -9.772 1.00 0.00 H new ATOM 0 HA THR A 30 -10.500 2.412 -9.480 1.00 0.00 H new ATOM 0 HB THR A 30 -11.536 1.788 -11.560 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.903 4.124 -10.968 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.956 2.112 -11.904 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.599 0.771 -10.790 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.162 2.333 -10.151 1.00 0.00 H new ATOM 481 N SER A 31 -11.520 2.430 -7.103 1.00 0.00 N ATOM 482 CA SER A 31 -11.880 2.818 -5.773 1.00 0.00 C ATOM 483 C SER A 31 -10.674 3.421 -5.075 1.00 0.00 C ATOM 484 O SER A 31 -9.547 2.977 -5.284 1.00 0.00 O ATOM 485 CB SER A 31 -12.287 1.532 -5.045 1.00 0.00 C ATOM 486 OG SER A 31 -13.250 0.796 -5.791 1.00 0.00 O ATOM 0 H SER A 31 -10.637 1.919 -7.106 1.00 0.00 H new ATOM 0 HA SER A 31 -12.685 3.553 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.406 0.914 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.695 1.780 -4.065 1.00 0.00 H new ATOM 0 HG SER A 31 -13.489 -0.019 -5.302 1.00 0.00 H new ATOM 492 N ASP A 32 -10.912 4.415 -4.223 1.00 0.00 N ATOM 493 CA ASP A 32 -9.864 4.987 -3.400 1.00 0.00 C ATOM 494 C ASP A 32 -9.537 3.938 -2.346 1.00 0.00 C ATOM 495 O ASP A 32 -10.154 3.891 -1.283 1.00 0.00 O ATOM 496 CB ASP A 32 -10.347 6.288 -2.772 1.00 0.00 C ATOM 497 CG ASP A 32 -10.585 7.375 -3.805 1.00 0.00 C ATOM 498 OD1 ASP A 32 -9.585 7.823 -4.403 1.00 0.00 O ATOM 499 OD2 ASP A 32 -11.773 7.727 -3.976 1.00 0.00 O ATOM 0 H ASP A 32 -11.830 4.839 -4.088 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.974 5.234 -3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.271 6.103 -2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.610 6.634 -2.047 1.00 0.00 H new ATOM 504 N VAL A 33 -8.642 3.029 -2.708 1.00 0.00 N ATOM 505 CA VAL A 33 -8.265 1.892 -1.904 1.00 0.00 C ATOM 506 C VAL A 33 -7.295 2.289 -0.807 1.00 0.00 C ATOM 507 O VAL A 33 -6.401 3.111 -1.002 1.00 0.00 O ATOM 508 CB VAL A 33 -7.702 0.841 -2.850 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.155 -0.348 -2.074 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.863 0.432 -3.750 1.00 0.00 C ATOM 0 H VAL A 33 -8.147 3.071 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.126 1.478 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.868 1.229 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.758 -1.086 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.360 -0.013 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.955 -0.798 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.525 -0.325 -4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.670 0.025 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.225 1.303 -4.296 1.00 0.00 H new ATOM 520 N PHE A 34 -7.452 1.679 0.359 1.00 0.00 N ATOM 521 CA PHE A 34 -6.630 2.002 1.499 1.00 0.00 C ATOM 522 C PHE A 34 -6.292 0.765 2.307 1.00 0.00 C ATOM 523 O PHE A 34 -6.896 -0.289 2.136 1.00 0.00 O ATOM 524 CB PHE A 34 -7.345 3.033 2.376 1.00 0.00 C ATOM 525 CG PHE A 34 -7.612 4.353 1.688 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.529 5.126 1.238 1.00 0.00 C ATOM 527 CD2 PHE A 34 -8.927 4.778 1.437 1.00 0.00 C ATOM 528 CE1 PHE A 34 -6.754 6.328 0.546 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.154 5.981 0.744 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.070 6.757 0.301 1.00 0.00 C ATOM 0 H PHE A 34 -8.148 0.954 0.533 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.693 2.424 1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.293 2.613 2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.744 3.215 3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.518 4.795 1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.762 4.182 1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.918 6.920 0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.165 6.309 0.552 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.248 7.682 -0.227 1.00 0.00 H new ATOM 540 N LEU A 35 -5.303 0.889 3.177 1.00 0.00 N ATOM 541 CA LEU A 35 -4.978 -0.156 4.119 1.00 0.00 C ATOM 542 C LEU A 35 -4.731 0.537 5.444 1.00 0.00 C ATOM 543 O LEU A 35 -3.884 1.424 5.518 1.00 0.00 O ATOM 544 CB LEU A 35 -3.769 -0.968 3.664 1.00 0.00 C ATOM 545 CG LEU A 35 -3.605 -2.175 4.584 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.830 -3.076 4.452 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.355 -2.954 4.187 1.00 0.00 C ATOM 0 H LEU A 35 -4.708 1.715 3.246 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.790 -0.878 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.902 -1.296 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.871 -0.351 3.689 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.507 -1.838 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.718 -3.940 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.723 -2.519 4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.924 -3.413 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.239 -3.816 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.451 -3.295 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.481 -2.309 4.276 1.00 0.00 H new ATOM 559 N GLU A 36 -5.525 0.192 6.452 1.00 0.00 N ATOM 560 CA GLU A 36 -5.439 0.807 7.760 1.00 0.00 C ATOM 561 C GLU A 36 -4.857 -0.193 8.749 1.00 0.00 C ATOM 562 O GLU A 36 -5.578 -1.075 9.210 1.00 0.00 O ATOM 563 CB GLU A 36 -6.842 1.210 8.207 1.00 0.00 C ATOM 564 CG GLU A 36 -7.634 1.793 7.039 1.00 0.00 C ATOM 565 CD GLU A 36 -9.092 1.967 7.411 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.690 0.954 7.832 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.580 3.107 7.267 1.00 0.00 O ATOM 0 H GLU A 36 -6.247 -0.525 6.379 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.797 1.687 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.364 0.342 8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.776 1.944 9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.210 2.755 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.551 1.136 6.173 1.00 0.00 H new ATOM 574 N LYS A 37 -3.575 -0.070 9.083 1.00 0.00 N ATOM 575 CA LYS A 37 -2.891 -0.919 10.028 1.00 0.00 C ATOM 576 C LYS A 37 -3.456 -0.663 11.416 1.00 0.00 C ATOM 577 O LYS A 37 -2.919 0.170 12.145 1.00 0.00 O ATOM 578 CB LYS A 37 -1.434 -0.492 10.012 1.00 0.00 C ATOM 579 CG LYS A 37 -0.645 -1.025 8.831 1.00 0.00 C ATOM 580 CD LYS A 37 0.804 -0.599 9.050 1.00 0.00 C ATOM 581 CE LYS A 37 1.216 -1.016 10.464 1.00 0.00 C ATOM 582 NZ LYS A 37 2.512 -0.430 10.841 1.00 0.00 N ATOM 0 H LYS A 37 -2.972 0.650 8.685 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.007 -1.973 9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.386 0.597 10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.958 -0.827 10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.725 -2.110 8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.030 -0.623 7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.454 -1.067 8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.906 0.479 8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.452 -0.701 11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.276 -2.103 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.730 -0.676 11.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.256 -0.804 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.467 0.604 10.744 1.00 0.00 H new ATOM 596 N ASP A 38 -4.564 -1.319 11.764 1.00 0.00 N ATOM 597 CA ASP A 38 -5.262 -1.091 13.021 1.00 0.00 C ATOM 598 C ASP A 38 -5.550 0.402 13.185 1.00 0.00 C ATOM 599 O ASP A 38 -5.541 0.922 14.298 1.00 0.00 O ATOM 600 CB ASP A 38 -4.406 -1.595 14.179 1.00 0.00 C ATOM 601 CG ASP A 38 -4.226 -3.106 14.135 1.00 0.00 C ATOM 602 OD1 ASP A 38 -5.168 -3.800 14.572 1.00 0.00 O ATOM 603 OD2 ASP A 38 -3.154 -3.546 13.663 1.00 0.00 O ATOM 0 H ASP A 38 -5.002 -2.027 11.175 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.207 -1.634 13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.430 -1.112 14.146 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.870 -1.312 15.124 1.00 0.00 H new ATOM 608 N GLY A 39 -5.779 1.104 12.071 1.00 0.00 N ATOM 609 CA GLY A 39 -5.958 2.541 12.122 1.00 0.00 C ATOM 610 C GLY A 39 -4.930 3.269 11.254 1.00 0.00 C ATOM 611 O GLY A 39 -5.221 4.337 10.720 1.00 0.00 O ATOM 0 H GLY A 39 -5.843 0.698 11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.963 2.795 11.786 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.871 2.882 13.153 1.00 0.00 H new ATOM 615 N LYS A 40 -3.733 2.697 11.075 1.00 0.00 N ATOM 616 CA LYS A 40 -2.679 3.316 10.287 1.00 0.00 C ATOM 617 C LYS A 40 -2.999 3.152 8.804 1.00 0.00 C ATOM 618 O LYS A 40 -2.431 2.294 8.133 1.00 0.00 O ATOM 619 CB LYS A 40 -1.338 2.669 10.634 1.00 0.00 C ATOM 620 CG LYS A 40 -1.184 2.487 12.145 1.00 0.00 C ATOM 621 CD LYS A 40 0.258 2.114 12.477 1.00 0.00 C ATOM 622 CE LYS A 40 1.186 3.251 12.051 1.00 0.00 C ATOM 623 NZ LYS A 40 2.583 2.965 12.418 1.00 0.00 N ATOM 0 H LYS A 40 -3.476 1.794 11.474 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.615 4.380 10.513 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.260 1.701 10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.524 3.287 10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.459 3.407 12.661 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.861 1.709 12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.360 1.927 13.546 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.534 1.193 11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.113 3.399 10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.867 4.180 12.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.148 3.834 12.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.620 2.617 13.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.969 2.241 11.779 1.00 0.00 H new ATOM 637 N LYS A 41 -3.954 3.933 8.315 1.00 0.00 N ATOM 638 CA LYS A 41 -4.456 3.823 6.962 1.00 0.00 C ATOM 639 C LYS A 41 -3.720 4.698 5.952 1.00 0.00 C ATOM 640 O LYS A 41 -3.438 5.869 6.192 1.00 0.00 O ATOM 641 CB LYS A 41 -5.946 4.137 7.020 1.00 0.00 C ATOM 642 CG LYS A 41 -6.576 4.441 5.664 1.00 0.00 C ATOM 643 CD LYS A 41 -6.371 5.934 5.411 1.00 0.00 C ATOM 644 CE LYS A 41 -6.845 6.304 4.011 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.729 7.752 3.779 1.00 0.00 N ATOM 0 H LYS A 41 -4.404 4.669 8.859 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.280 2.812 6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.467 3.291 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.100 4.991 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.109 3.847 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.637 4.190 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.920 6.514 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.317 6.187 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.255 5.765 3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.882 5.993 3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.726 7.941 2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.536 8.240 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.844 8.101 4.198 1.00 0.00 H new ATOM 659 N VAL A 42 -3.484 4.112 4.781 1.00 0.00 N ATOM 660 CA VAL A 42 -2.875 4.751 3.620 1.00 0.00 C ATOM 661 C VAL A 42 -3.548 4.295 2.337 1.00 0.00 C ATOM 662 O VAL A 42 -4.366 3.378 2.355 1.00 0.00 O ATOM 663 CB VAL A 42 -1.384 4.426 3.538 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.608 5.345 4.474 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.155 2.953 3.880 1.00 0.00 C ATOM 0 H VAL A 42 -3.723 3.135 4.609 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.005 5.827 3.736 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.023 4.594 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.455 5.112 4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.769 6.383 4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.954 5.199 5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.090 2.727 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.512 2.754 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.699 2.327 3.173 1.00 0.00 H new ATOM 675 N ASN A 43 -3.222 4.952 1.221 1.00 0.00 N ATOM 676 CA ASN A 43 -3.743 4.591 -0.084 1.00 0.00 C ATOM 677 C ASN A 43 -3.101 3.285 -0.495 1.00 0.00 C ATOM 678 O ASN A 43 -1.967 3.249 -0.963 1.00 0.00 O ATOM 679 CB ASN A 43 -3.481 5.702 -1.096 1.00 0.00 C ATOM 680 CG ASN A 43 -3.989 5.349 -2.490 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.263 5.475 -3.467 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.232 4.906 -2.624 1.00 0.00 N ATOM 0 H ASN A 43 -2.587 5.750 1.205 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.825 4.463 -0.044 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.963 6.619 -0.758 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.411 5.903 -1.142 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.591 4.667 -3.548 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.829 4.805 -1.803 1.00 0.00 H new ATOM 689 N ALA A 44 -3.872 2.224 -0.302 1.00 0.00 N ATOM 690 CA ALA A 44 -3.505 0.841 -0.531 1.00 0.00 C ATOM 691 C ALA A 44 -2.884 0.624 -1.903 1.00 0.00 C ATOM 692 O ALA A 44 -1.917 -0.119 -2.049 1.00 0.00 O ATOM 693 CB ALA A 44 -4.772 0.003 -0.432 1.00 0.00 C ATOM 0 H ALA A 44 -4.829 2.316 0.040 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.762 0.554 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.528 -1.046 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.209 0.120 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.487 0.335 -1.185 1.00 0.00 H new ATOM 699 N LYS A 45 -3.461 1.273 -2.912 1.00 0.00 N ATOM 700 CA LYS A 45 -2.999 1.130 -4.279 1.00 0.00 C ATOM 701 C LYS A 45 -1.685 1.873 -4.537 1.00 0.00 C ATOM 702 O LYS A 45 -1.052 1.660 -5.569 1.00 0.00 O ATOM 703 CB LYS A 45 -4.095 1.591 -5.235 1.00 0.00 C ATOM 704 CG LYS A 45 -4.473 3.043 -4.953 1.00 0.00 C ATOM 705 CD LYS A 45 -5.202 3.642 -6.157 1.00 0.00 C ATOM 706 CE LYS A 45 -6.703 3.344 -6.154 1.00 0.00 C ATOM 707 NZ LYS A 45 -6.998 1.929 -6.437 1.00 0.00 N ATOM 0 H LYS A 45 -4.254 1.905 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.786 0.076 -4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.753 1.491 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.972 0.953 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.110 3.096 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.577 3.624 -4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.051 4.721 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.761 3.251 -7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.121 3.612 -5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.196 3.970 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.611 1.863 -7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.110 1.419 -6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.481 1.505 -5.620 1.00 0.00 H new ATOM 721 N SER A 46 -1.277 2.768 -3.639 1.00 0.00 N ATOM 722 CA SER A 46 -0.018 3.467 -3.816 1.00 0.00 C ATOM 723 C SER A 46 1.085 2.879 -2.949 1.00 0.00 C ATOM 724 O SER A 46 0.830 2.188 -1.964 1.00 0.00 O ATOM 725 CB SER A 46 -0.169 4.950 -3.500 1.00 0.00 C ATOM 726 OG SER A 46 -0.810 5.608 -4.570 1.00 0.00 O ATOM 0 H SER A 46 -1.794 3.019 -2.797 1.00 0.00 H new ATOM 0 HA SER A 46 0.263 3.345 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.747 5.078 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.811 5.394 -3.323 1.00 0.00 H new ATOM 0 HG SER A 46 -1.769 5.679 -4.383 1.00 0.00 H new ATOM 732 N ILE A 47 2.326 3.213 -3.312 1.00 0.00 N ATOM 733 CA ILE A 47 3.533 2.816 -2.603 1.00 0.00 C ATOM 734 C ILE A 47 3.431 3.057 -1.110 1.00 0.00 C ATOM 735 O ILE A 47 3.808 2.214 -0.312 1.00 0.00 O ATOM 736 CB ILE A 47 4.739 3.584 -3.149 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.964 3.306 -2.267 1.00 0.00 C ATOM 738 CG2 ILE A 47 4.484 5.088 -3.253 1.00 0.00 C ATOM 739 CD1 ILE A 47 6.062 4.338 -1.135 1.00 0.00 C ATOM 0 H ILE A 47 2.518 3.785 -4.134 1.00 0.00 H new ATOM 0 HA ILE A 47 3.658 1.745 -2.765 1.00 0.00 H new ATOM 0 HB ILE A 47 4.923 3.231 -4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.896 2.303 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.869 3.336 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.373 5.581 -3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.643 5.269 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.254 5.487 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.937 4.123 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.154 5.337 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.165 4.287 -0.518 1.00 0.00 H new ATOM 751 N MET A 48 2.971 4.226 -0.698 1.00 0.00 N ATOM 752 CA MET A 48 2.928 4.455 0.733 1.00 0.00 C ATOM 753 C MET A 48 1.947 3.504 1.432 1.00 0.00 C ATOM 754 O MET A 48 2.103 3.205 2.616 1.00 0.00 O ATOM 755 CB MET A 48 2.650 5.922 1.034 1.00 0.00 C ATOM 756 CG MET A 48 1.145 6.114 1.188 1.00 0.00 C ATOM 757 SD MET A 48 0.198 6.085 -0.354 1.00 0.00 S ATOM 758 CE MET A 48 1.208 7.245 -1.291 1.00 0.00 C ATOM 0 H MET A 48 2.641 4.987 -1.291 1.00 0.00 H new ATOM 0 HA MET A 48 3.910 4.225 1.147 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.165 6.224 1.946 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.031 6.551 0.230 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.761 5.333 1.845 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.966 7.067 1.687 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.590 7.748 -2.035 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.635 7.985 -0.614 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.011 6.705 -1.792 1.00 0.00 H new ATOM 768 N GLY A 49 0.920 3.046 0.714 1.00 0.00 N ATOM 769 CA GLY A 49 0.033 2.052 1.259 1.00 0.00 C ATOM 770 C GLY A 49 0.793 0.743 1.204 1.00 0.00 C ATOM 771 O GLY A 49 1.216 0.272 2.246 1.00 0.00 O ATOM 0 H GLY A 49 0.695 3.351 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.247 2.298 2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.889 1.993 0.681 1.00 0.00 H new ATOM 775 N LEU A 50 1.019 0.200 0.007 1.00 0.00 N ATOM 776 CA LEU A 50 1.748 -1.034 -0.227 1.00 0.00 C ATOM 777 C LEU A 50 3.048 -1.116 0.568 1.00 0.00 C ATOM 778 O LEU A 50 3.176 -1.881 1.516 1.00 0.00 O ATOM 779 CB LEU A 50 2.065 -1.070 -1.724 1.00 0.00 C ATOM 780 CG LEU A 50 3.057 -2.161 -2.128 1.00 0.00 C ATOM 781 CD1 LEU A 50 2.577 -3.537 -1.690 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.191 -2.144 -3.646 1.00 0.00 C ATOM 0 H LEU A 50 0.684 0.629 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 50 1.139 -1.878 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.137 -1.215 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.466 -0.101 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 50 4.013 -1.965 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.305 -4.290 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.465 -3.555 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.616 -3.753 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.895 -2.915 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.218 -2.336 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.555 -1.169 -3.968 1.00 0.00 H new ATOM 794 N MET A 51 4.023 -0.328 0.143 1.00 0.00 N ATOM 795 CA MET A 51 5.361 -0.340 0.661 1.00 0.00 C ATOM 796 C MET A 51 5.433 0.285 2.047 1.00 0.00 C ATOM 797 O MET A 51 6.079 -0.279 2.921 1.00 0.00 O ATOM 798 CB MET A 51 6.253 0.426 -0.329 1.00 0.00 C ATOM 799 CG MET A 51 7.746 0.206 -0.073 1.00 0.00 C ATOM 800 SD MET A 51 8.477 1.210 1.242 1.00 0.00 S ATOM 801 CE MET A 51 7.913 2.839 0.713 1.00 0.00 C ATOM 0 H MET A 51 3.888 0.358 -0.599 1.00 0.00 H new ATOM 0 HA MET A 51 5.703 -1.369 0.767 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.013 0.113 -1.345 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.031 1.491 -0.263 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.903 -0.845 0.169 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.287 0.404 -0.998 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.453 3.608 1.266 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.100 2.960 -0.354 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.845 2.935 0.907 1.00 0.00 H new ATOM 811 N SER A 52 4.809 1.447 2.273 1.00 0.00 N ATOM 812 CA SER A 52 5.020 2.087 3.559 1.00 0.00 C ATOM 813 C SER A 52 4.292 1.391 4.706 1.00 0.00 C ATOM 814 O SER A 52 4.925 0.814 5.585 1.00 0.00 O ATOM 815 CB SER A 52 4.677 3.572 3.469 1.00 0.00 C ATOM 816 OG SER A 52 5.340 4.142 2.355 1.00 0.00 O ATOM 0 H SER A 52 4.192 1.933 1.622 1.00 0.00 H new ATOM 0 HA SER A 52 6.079 1.992 3.801 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.599 3.702 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.977 4.082 4.385 1.00 0.00 H new ATOM 0 HG SER A 52 5.171 5.107 2.332 1.00 0.00 H new ATOM 822 N LEU A 53 2.965 1.469 4.742 1.00 0.00 N ATOM 823 CA LEU A 53 2.221 0.915 5.860 1.00 0.00 C ATOM 824 C LEU A 53 2.010 -0.587 5.745 1.00 0.00 C ATOM 825 O LEU A 53 2.356 -1.352 6.648 1.00 0.00 O ATOM 826 CB LEU A 53 0.887 1.629 5.943 1.00 0.00 C ATOM 827 CG LEU A 53 1.078 2.999 6.589 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.923 3.931 5.723 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.295 3.622 6.737 1.00 0.00 C ATOM 0 H LEU A 53 2.392 1.905 4.019 1.00 0.00 H new ATOM 0 HA LEU A 53 2.803 1.070 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.461 1.742 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.182 1.036 6.526 1.00 0.00 H new ATOM 0 HG LEU A 53 1.589 2.866 7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.032 4.893 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.907 3.490 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.434 4.076 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.201 4.606 7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.756 3.723 5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.917 2.986 7.366 1.00 0.00 H new ATOM 841 N ALA A 54 1.431 -0.993 4.617 1.00 0.00 N ATOM 842 CA ALA A 54 1.110 -2.358 4.237 1.00 0.00 C ATOM 843 C ALA A 54 2.324 -3.281 4.310 1.00 0.00 C ATOM 844 O ALA A 54 2.158 -4.494 4.341 1.00 0.00 O ATOM 845 CB ALA A 54 0.511 -2.348 2.830 1.00 0.00 C ATOM 0 H ALA A 54 1.156 -0.325 3.896 1.00 0.00 H new ATOM 0 HA ALA A 54 0.384 -2.755 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.265 -3.367 2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.394 -1.740 2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.234 -1.930 2.130 1.00 0.00 H new ATOM 851 N VAL A 55 3.539 -2.739 4.385 1.00 0.00 N ATOM 852 CA VAL A 55 4.724 -3.562 4.544 1.00 0.00 C ATOM 853 C VAL A 55 4.777 -4.210 5.935 1.00 0.00 C ATOM 854 O VAL A 55 5.532 -5.151 6.173 1.00 0.00 O ATOM 855 CB VAL A 55 5.974 -2.739 4.243 1.00 0.00 C ATOM 856 CG1 VAL A 55 6.316 -1.817 5.412 1.00 0.00 C ATOM 857 CG2 VAL A 55 7.148 -3.678 3.980 1.00 0.00 C ATOM 0 H VAL A 55 3.722 -1.737 4.338 1.00 0.00 H new ATOM 0 HA VAL A 55 4.680 -4.381 3.826 1.00 0.00 H new ATOM 0 HB VAL A 55 5.780 -2.126 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.210 -1.242 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.484 -1.136 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.498 -2.414 6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.042 -3.092 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.323 -4.297 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.919 -4.317 3.127 1.00 0.00 H new ATOM 867 N SER A 56 3.964 -3.730 6.877 1.00 0.00 N ATOM 868 CA SER A 56 3.993 -4.227 8.238 1.00 0.00 C ATOM 869 C SER A 56 3.287 -5.573 8.399 1.00 0.00 C ATOM 870 O SER A 56 2.219 -5.633 9.016 1.00 0.00 O ATOM 871 CB SER A 56 3.391 -3.173 9.165 1.00 0.00 C ATOM 872 OG SER A 56 3.937 -1.899 8.869 1.00 0.00 O ATOM 0 H SER A 56 3.277 -2.994 6.713 1.00 0.00 H new ATOM 0 HA SER A 56 5.034 -4.408 8.507 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.308 -3.150 9.048 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.594 -3.432 10.204 1.00 0.00 H new ATOM 0 HG SER A 56 3.524 -1.548 8.053 1.00 0.00 H new ATOM 878 N THR A 57 3.871 -6.644 7.851 1.00 0.00 N ATOM 879 CA THR A 57 3.374 -8.004 8.007 1.00 0.00 C ATOM 880 C THR A 57 2.941 -8.270 9.452 1.00 0.00 C ATOM 881 O THR A 57 3.739 -8.150 10.379 1.00 0.00 O ATOM 882 CB THR A 57 4.467 -9.002 7.615 1.00 0.00 C ATOM 883 OG1 THR A 57 5.173 -8.575 6.467 1.00 0.00 O ATOM 884 CG2 THR A 57 3.829 -10.361 7.350 1.00 0.00 C ATOM 0 H THR A 57 4.714 -6.583 7.280 1.00 0.00 H new ATOM 0 HA THR A 57 2.508 -8.126 7.356 1.00 0.00 H new ATOM 0 HB THR A 57 5.180 -9.072 8.437 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.876 -9.092 5.689 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.602 -11.077 7.070 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.323 -10.707 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.106 -10.272 6.539 1.00 0.00 H new ATOM 892 N GLY A 58 1.670 -8.616 9.643 1.00 0.00 N ATOM 893 CA GLY A 58 1.116 -8.912 10.950 1.00 0.00 C ATOM 894 C GLY A 58 0.232 -7.796 11.505 1.00 0.00 C ATOM 895 O GLY A 58 -0.313 -7.948 12.594 1.00 0.00 O ATOM 0 H GLY A 58 0.994 -8.698 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.532 -9.830 10.889 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.932 -9.099 11.648 1.00 0.00 H new ATOM 899 N THR A 59 0.048 -6.683 10.790 1.00 0.00 N ATOM 900 CA THR A 59 -0.832 -5.649 11.309 1.00 0.00 C ATOM 901 C THR A 59 -2.274 -6.066 11.030 1.00 0.00 C ATOM 902 O THR A 59 -2.534 -6.699 10.008 1.00 0.00 O ATOM 903 CB THR A 59 -0.515 -4.306 10.647 1.00 0.00 C ATOM 904 OG1 THR A 59 0.862 -4.004 10.726 1.00 0.00 O ATOM 905 CG2 THR A 59 -1.274 -3.198 11.365 1.00 0.00 C ATOM 0 H THR A 59 0.479 -6.484 9.887 1.00 0.00 H new ATOM 0 HA THR A 59 -0.686 -5.531 12.383 1.00 0.00 H new ATOM 0 HB THR A 59 -0.809 -4.376 9.600 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.372 -4.667 10.215 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.050 -2.240 10.895 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.345 -3.391 11.303 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.971 -3.169 12.412 1.00 0.00 H new ATOM 913 N GLU A 60 -3.228 -5.734 11.896 1.00 0.00 N ATOM 914 CA GLU A 60 -4.602 -6.065 11.570 1.00 0.00 C ATOM 915 C GLU A 60 -5.125 -4.892 10.759 1.00 0.00 C ATOM 916 O GLU A 60 -5.548 -3.860 11.277 1.00 0.00 O ATOM 917 CB GLU A 60 -5.440 -6.399 12.797 1.00 0.00 C ATOM 918 CG GLU A 60 -4.608 -7.078 13.886 1.00 0.00 C ATOM 919 CD GLU A 60 -4.285 -8.528 13.555 1.00 0.00 C ATOM 920 OE1 GLU A 60 -3.936 -8.797 12.386 1.00 0.00 O ATOM 921 OE2 GLU A 60 -4.389 -9.355 14.487 1.00 0.00 O ATOM 0 H GLU A 60 -3.083 -5.259 12.787 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.664 -6.983 10.986 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.883 -5.486 13.194 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.263 -7.053 12.508 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.679 -6.525 14.026 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.149 -7.037 14.831 1.00 0.00 H new ATOM 928 N VAL A 61 -4.996 -5.041 9.455 1.00 0.00 N ATOM 929 CA VAL A 61 -5.210 -3.994 8.492 1.00 0.00 C ATOM 930 C VAL A 61 -6.568 -3.993 7.849 1.00 0.00 C ATOM 931 O VAL A 61 -7.069 -5.019 7.404 1.00 0.00 O ATOM 932 CB VAL A 61 -4.161 -4.093 7.401 1.00 0.00 C ATOM 933 CG1 VAL A 61 -3.331 -2.883 7.690 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.261 -5.324 7.518 1.00 0.00 C ATOM 0 H VAL A 61 -4.730 -5.928 9.028 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.135 -3.063 9.054 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.613 -4.162 6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.517 -2.820 6.968 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.952 -1.990 7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.919 -2.956 8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.537 -5.324 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.734 -5.300 8.472 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.870 -6.226 7.463 1.00 0.00 H new ATOM 944 N THR A 62 -7.147 -2.808 7.737 1.00 0.00 N ATOM 945 CA THR A 62 -8.415 -2.742 7.069 1.00 0.00 C ATOM 946 C THR A 62 -8.213 -2.266 5.643 1.00 0.00 C ATOM 947 O THR A 62 -7.776 -1.139 5.409 1.00 0.00 O ATOM 948 CB THR A 62 -9.427 -1.911 7.859 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.401 -2.300 9.217 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.841 -2.148 7.333 1.00 0.00 C ATOM 0 H THR A 62 -6.774 -1.925 8.084 1.00 0.00 H new ATOM 0 HA THR A 62 -8.852 -3.739 7.017 1.00 0.00 H new ATOM 0 HB THR A 62 -9.162 -0.859 7.751 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.291 -2.180 9.609 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.548 -1.549 7.907 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.891 -1.861 6.283 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.095 -3.203 7.434 1.00 0.00 H new ATOM 958 N LEU A 63 -8.477 -3.164 4.700 1.00 0.00 N ATOM 959 CA LEU A 63 -8.356 -2.902 3.289 1.00 0.00 C ATOM 960 C LEU A 63 -9.632 -2.231 2.818 1.00 0.00 C ATOM 961 O LEU A 63 -10.695 -2.849 2.756 1.00 0.00 O ATOM 962 CB LEU A 63 -8.103 -4.229 2.578 1.00 0.00 C ATOM 963 CG LEU A 63 -7.597 -4.047 1.151 1.00 0.00 C ATOM 964 CD1 LEU A 63 -8.677 -3.473 0.238 1.00 0.00 C ATOM 965 CD2 LEU A 63 -6.367 -3.144 1.131 1.00 0.00 C ATOM 0 H LEU A 63 -8.787 -4.113 4.911 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.523 -2.235 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.374 -4.807 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.026 -4.808 2.560 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.326 -5.033 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.278 -3.358 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.531 -4.150 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.994 -2.501 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.019 -3.025 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.625 -2.168 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.576 -3.593 1.732 1.00 0.00 H new ATOM 977 N ILE A 64 -9.512 -0.944 2.531 1.00 0.00 N ATOM 978 CA ILE A 64 -10.565 -0.100 2.026 1.00 0.00 C ATOM 979 C ILE A 64 -10.527 -0.080 0.512 1.00 0.00 C ATOM 980 O ILE A 64 -9.466 -0.183 -0.101 1.00 0.00 O ATOM 981 CB ILE A 64 -10.311 1.344 2.461 1.00 0.00 C ATOM 982 CG1 ILE A 64 -10.152 1.495 3.965 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.459 2.237 1.997 1.00 0.00 C ATOM 984 CD1 ILE A 64 -10.021 2.985 4.243 1.00 0.00 C ATOM 0 H ILE A 64 -8.632 -0.443 2.653 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.514 -0.483 2.401 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.371 1.644 1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.012 1.078 4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.272 0.957 4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.271 3.264 2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.534 2.197 0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.393 1.888 2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.904 3.146 5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.149 3.377 3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.916 3.500 3.894 1.00 0.00 H new ATOM 996 N ALA A 65 -11.687 0.124 -0.088 1.00 0.00 N ATOM 997 CA ALA A 65 -11.756 0.432 -1.496 1.00 0.00 C ATOM 998 C ALA A 65 -12.917 1.372 -1.653 1.00 0.00 C ATOM 999 O ALA A 65 -14.025 0.956 -1.956 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.931 -0.810 -2.354 1.00 0.00 C ATOM 0 H ALA A 65 -12.591 0.081 0.382 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.823 0.882 -1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.977 -0.523 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.087 -1.482 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.855 -1.317 -2.076 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.687 2.658 -1.444 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.794 3.571 -1.549 1.00 0.00 C ATOM 1008 C GLN A 66 -13.926 4.001 -2.995 1.00 0.00 C ATOM 1009 O GLN A 66 -13.528 5.099 -3.382 1.00 0.00 O ATOM 1010 CB GLN A 66 -13.627 4.697 -0.537 1.00 0.00 C ATOM 1011 CG GLN A 66 -12.489 5.638 -0.901 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.774 7.050 -0.425 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -12.448 7.352 0.828 1.00 0.00 O flip ATOM 1014 NE2 GLN A 66 -13.280 7.867 -1.192 1.00 0.00 N flip ATOM 0 H GLN A 66 -11.784 3.072 -1.211 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.744 3.105 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -14.556 5.263 -0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -13.442 4.271 0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.561 5.281 -0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.344 5.637 -1.981 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.515 7.593 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.465 8.818 -0.874 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.418 3.092 -3.823 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.537 3.347 -5.240 1.00 0.00 C ATOM 1025 C GLY A 67 -15.739 2.694 -5.878 1.00 0.00 C ATOM 1026 O GLY A 67 -16.646 2.193 -5.218 1.00 0.00 O ATOM 0 H GLY A 67 -14.741 2.170 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.591 4.423 -5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.635 2.994 -5.740 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.679 2.669 -7.202 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.670 2.083 -8.072 1.00 0.00 C ATOM 1032 C GLU A 68 -16.846 0.593 -7.799 1.00 0.00 C ATOM 1033 O GLU A 68 -17.948 0.082 -7.964 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.228 2.364 -9.500 1.00 0.00 C ATOM 1035 CG GLU A 68 -16.239 3.884 -9.665 1.00 0.00 C ATOM 1036 CD GLU A 68 -15.422 4.342 -10.858 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -15.840 4.027 -11.992 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -14.383 4.992 -10.605 1.00 0.00 O ATOM 0 H GLU A 68 -14.898 3.078 -7.716 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.651 2.523 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.232 1.961 -9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.901 1.891 -10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -17.267 4.227 -9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.847 4.348 -8.760 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.799 -0.123 -7.371 1.00 0.00 N ATOM 1046 CA ASP A 69 -16.025 -1.513 -7.031 1.00 0.00 C ATOM 1047 C ASP A 69 -15.884 -1.641 -5.533 1.00 0.00 C ATOM 1048 O ASP A 69 -15.582 -2.736 -5.090 1.00 0.00 O ATOM 1049 CB ASP A 69 -15.029 -2.450 -7.719 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.619 -1.996 -9.113 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -15.391 -2.277 -10.053 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -13.535 -1.379 -9.210 1.00 0.00 O ATOM 0 H ASP A 69 -14.845 0.219 -7.259 1.00 0.00 H new ATOM 0 HA ASP A 69 -17.019 -1.803 -7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.137 -2.536 -7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.468 -3.446 -7.786 1.00 0.00 H new ATOM 1057 N GLU A 70 -16.160 -0.579 -4.762 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.794 -0.442 -3.372 1.00 0.00 C ATOM 1059 C GLU A 70 -15.807 -1.731 -2.578 1.00 0.00 C ATOM 1060 O GLU A 70 -14.737 -2.316 -2.413 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.649 0.655 -2.744 1.00 0.00 C ATOM 1062 CG GLU A 70 -18.162 0.487 -2.881 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.849 0.760 -1.548 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.130 1.107 -0.587 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -20.084 0.580 -1.496 1.00 0.00 O ATOM 0 H GLU A 70 -16.665 0.233 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.744 -0.152 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.405 0.716 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.367 1.608 -3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.543 1.170 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.393 -0.524 -3.216 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.988 -2.177 -2.145 1.00 0.00 N ATOM 1073 CA GLN A 71 -17.219 -3.388 -1.379 1.00 0.00 C ATOM 1074 C GLN A 71 -16.298 -4.505 -1.884 1.00 0.00 C ATOM 1075 O GLN A 71 -15.461 -5.050 -1.166 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.693 -3.753 -1.643 1.00 0.00 C ATOM 1077 CG GLN A 71 -19.372 -4.629 -0.588 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.495 -5.797 -0.201 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -18.570 -6.875 -0.777 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.602 -5.539 0.739 1.00 0.00 N ATOM 0 H GLN A 71 -17.852 -1.669 -2.334 1.00 0.00 H new ATOM 0 HA GLN A 71 -17.016 -3.253 -0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -19.263 -2.829 -1.739 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.752 -4.265 -2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.596 -4.031 0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -20.323 -4.997 -0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.583 -4.623 1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.932 -6.256 1.016 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.453 -4.795 -3.169 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.740 -5.819 -3.890 1.00 0.00 C ATOM 1091 C GLU A 72 -14.226 -5.642 -3.788 1.00 0.00 C ATOM 1092 O GLU A 72 -13.481 -6.596 -3.549 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.188 -5.606 -5.343 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.262 -6.156 -6.421 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.220 -7.677 -6.459 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.180 -8.294 -5.949 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -14.221 -8.193 -7.006 1.00 0.00 O ATOM 0 H GLU A 72 -17.115 -4.291 -3.759 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.951 -6.814 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.170 -6.063 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.311 -4.536 -5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.586 -5.784 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.254 -5.776 -6.254 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.794 -4.405 -4.016 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.422 -3.998 -4.079 1.00 0.00 C ATOM 1106 C ALA A 73 -11.754 -4.269 -2.746 1.00 0.00 C ATOM 1107 O ALA A 73 -10.782 -5.016 -2.665 1.00 0.00 O ATOM 1108 CB ALA A 73 -12.434 -2.525 -4.468 1.00 0.00 C ATOM 0 H ALA A 73 -14.438 -3.629 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.843 -4.554 -4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.410 -2.157 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.923 -2.408 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.978 -1.954 -3.715 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.310 -3.687 -1.688 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.801 -3.889 -0.345 1.00 0.00 C ATOM 1116 C LEU A 74 -11.783 -5.382 -0.007 1.00 0.00 C ATOM 1117 O LEU A 74 -10.784 -5.878 0.520 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.603 -3.028 0.628 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.101 -3.118 0.383 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.816 -3.758 1.563 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.610 -1.703 0.145 1.00 0.00 C ATOM 0 H LEU A 74 -13.119 -3.068 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.764 -3.563 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.385 -3.340 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.285 -1.990 0.537 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.302 -3.748 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.885 -3.808 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.429 -4.765 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.647 -3.160 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.685 -1.728 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.403 -1.090 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.107 -1.276 -0.723 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.855 -6.097 -0.372 1.00 0.00 N ATOM 1134 CA GLU A 75 -12.961 -7.531 -0.171 1.00 0.00 C ATOM 1135 C GLU A 75 -11.775 -8.307 -0.716 1.00 0.00 C ATOM 1136 O GLU A 75 -11.085 -8.967 0.053 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.202 -8.080 -0.872 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.474 -7.669 -0.148 1.00 0.00 C ATOM 1139 CD GLU A 75 -15.455 -8.124 1.302 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -14.985 -9.255 1.548 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -15.913 -7.312 2.133 1.00 0.00 O ATOM 0 H GLU A 75 -13.675 -5.685 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.008 -7.663 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.232 -7.717 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.144 -9.167 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.585 -6.585 -0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.338 -8.098 -0.655 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.563 -8.267 -2.035 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.535 -9.098 -2.650 1.00 0.00 C ATOM 1150 C LYS A 76 -9.186 -8.900 -1.985 1.00 0.00 C ATOM 1151 O LYS A 76 -8.491 -9.858 -1.652 1.00 0.00 O ATOM 1152 CB LYS A 76 -10.401 -8.806 -4.141 1.00 0.00 C ATOM 1153 CG LYS A 76 -11.767 -8.773 -4.809 1.00 0.00 C ATOM 1154 CD LYS A 76 -11.650 -9.306 -6.240 1.00 0.00 C ATOM 1155 CE LYS A 76 -10.439 -8.728 -6.980 1.00 0.00 C ATOM 1156 NZ LYS A 76 -10.340 -9.280 -8.340 1.00 0.00 N ATOM 0 H LYS A 76 -12.082 -7.677 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.850 -10.132 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.897 -7.850 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.779 -9.568 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.475 -9.377 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.154 -7.754 -4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.573 -10.393 -6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.559 -9.064 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.523 -7.642 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.528 -8.953 -6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.512 -8.873 -8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.237 -10.314 -8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.201 -9.044 -8.874 1.00 0.00 H new ATOM 1170 N LEU A 77 -8.832 -7.637 -1.776 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.536 -7.334 -1.217 1.00 0.00 C ATOM 1172 C LEU A 77 -7.419 -7.792 0.224 1.00 0.00 C ATOM 1173 O LEU A 77 -6.517 -8.569 0.510 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.179 -5.867 -1.361 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.006 -5.455 -2.822 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -6.109 -6.432 -3.538 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -8.299 -5.593 -3.599 1.00 0.00 C ATOM 0 H LEU A 77 -9.416 -6.827 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.809 -7.900 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.959 -5.259 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.257 -5.664 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.629 -4.433 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.995 -6.126 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.132 -6.450 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.551 -7.428 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.136 -5.291 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.631 -6.631 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.062 -4.957 -3.151 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.303 -7.367 1.134 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.192 -7.841 2.512 1.00 0.00 C ATOM 1191 C ALA A 78 -8.344 -9.363 2.572 1.00 0.00 C ATOM 1192 O ALA A 78 -7.824 -10.024 3.470 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.200 -7.145 3.422 1.00 0.00 C ATOM 0 H ALA A 78 -9.072 -6.722 0.951 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.197 -7.586 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.091 -7.520 4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.019 -6.070 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.211 -7.347 3.067 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.040 -9.937 1.592 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.177 -11.374 1.487 1.00 0.00 C ATOM 1201 C ALA A 79 -7.798 -11.974 1.264 1.00 0.00 C ATOM 1202 O ALA A 79 -7.355 -12.843 2.013 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.074 -11.708 0.300 1.00 0.00 C ATOM 0 H ALA A 79 -9.519 -9.416 0.857 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.619 -11.779 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.180 -12.790 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.055 -11.257 0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.629 -11.316 -0.614 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.103 -11.465 0.247 1.00 0.00 N ATOM 1210 CA TYR A 80 -5.823 -12.011 -0.135 1.00 0.00 C ATOM 1211 C TYR A 80 -4.722 -11.694 0.883 1.00 0.00 C ATOM 1212 O TYR A 80 -4.020 -12.600 1.329 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.541 -11.497 -1.542 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.401 -12.155 -2.284 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -3.556 -13.079 -1.643 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -4.052 -11.653 -3.550 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.342 -13.459 -2.239 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.830 -12.021 -4.137 1.00 0.00 C ATOM 1219 CZ TYR A 80 -1.975 -12.923 -3.483 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.768 -13.238 -4.029 1.00 0.00 O ATOM 0 H TYR A 80 -7.414 -10.676 -0.320 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.842 -13.101 -0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.447 -11.614 -2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.336 -10.428 -1.480 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.842 -13.498 -0.689 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.723 -10.985 -4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.692 -14.163 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.547 -11.609 -5.094 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.903 -13.815 -4.810 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.583 -10.426 1.274 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.536 -9.906 2.155 1.00 0.00 C ATOM 1232 C VAL A 81 -3.254 -10.713 3.409 1.00 0.00 C ATOM 1233 O VAL A 81 -2.129 -10.702 3.903 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.901 -8.494 2.616 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.078 -7.551 1.437 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.195 -8.551 3.423 1.00 0.00 C ATOM 0 H VAL A 81 -5.230 -9.698 0.970 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.637 -9.948 1.540 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.086 -8.112 3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.337 -6.557 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.149 -7.499 0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.876 -7.920 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.461 -7.548 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.995 -8.951 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.054 -9.195 4.291 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.278 -11.369 3.936 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.217 -12.065 5.200 1.00 0.00 C ATOM 1248 C GLN A 82 -4.157 -13.591 5.051 1.00 0.00 C ATOM 1249 O GLN A 82 -4.044 -14.292 6.050 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.555 -11.730 5.870 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.594 -12.532 5.094 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.971 -12.615 5.711 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -8.947 -12.147 4.952 1.00 0.00 O flip ATOM 1254 NE2 GLN A 82 -8.157 -13.110 6.817 1.00 0.00 N flip ATOM 0 H GLN A 82 -5.190 -11.430 3.483 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.323 -11.765 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.549 -12.007 6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.764 -10.661 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.690 -12.096 4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.216 -13.546 4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.366 -13.456 7.360 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.103 -13.176 7.194 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.322 -14.108 3.829 1.00 0.00 N ATOM 1264 CA GLU A 83 -4.690 -15.506 3.668 1.00 0.00 C ATOM 1265 C GLU A 83 -3.622 -16.549 3.984 1.00 0.00 C ATOM 1266 O GLU A 83 -3.874 -17.437 4.794 1.00 0.00 O ATOM 1267 CB GLU A 83 -5.358 -15.699 2.306 1.00 0.00 C ATOM 1268 CG GLU A 83 -4.407 -15.458 1.138 1.00 0.00 C ATOM 1269 CD GLU A 83 -5.104 -15.718 -0.187 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -5.958 -14.883 -0.554 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -4.774 -16.752 -0.805 1.00 0.00 O ATOM 0 H GLU A 83 -4.208 -13.588 2.959 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.406 -15.716 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.754 -16.712 2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.206 -15.019 2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.041 -14.432 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.538 -16.109 1.231 1.00 0.00 H new ATOM 1278 N GLU A 84 -2.462 -16.512 3.329 1.00 0.00 N ATOM 1279 CA GLU A 84 -1.458 -17.523 3.622 1.00 0.00 C ATOM 1280 C GLU A 84 -0.447 -16.970 4.624 1.00 0.00 C ATOM 1281 O GLU A 84 -0.793 -16.668 5.761 1.00 0.00 O ATOM 1282 CB GLU A 84 -0.830 -18.044 2.322 1.00 0.00 C ATOM 1283 CG GLU A 84 -0.364 -16.915 1.400 1.00 0.00 C ATOM 1284 CD GLU A 84 -1.360 -16.681 0.277 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -1.736 -17.683 -0.368 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -1.726 -15.501 0.095 1.00 0.00 O ATOM 0 H GLU A 84 -2.204 -15.823 2.622 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.918 -18.390 4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.018 -18.684 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.556 -18.663 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.239 -15.998 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.611 -17.163 0.980 1.00 0.00 H new ATOM 1293 N VAL A 85 0.795 -16.812 4.174 1.00 0.00 N ATOM 1294 CA VAL A 85 1.926 -16.209 4.860 1.00 0.00 C ATOM 1295 C VAL A 85 2.899 -15.925 3.725 1.00 0.00 C ATOM 1296 O VAL A 85 3.177 -16.863 2.915 1.00 0.00 O ATOM 1297 CB VAL A 85 2.571 -17.186 5.922 1.00 0.00 C ATOM 1298 CG1 VAL A 85 2.755 -18.664 5.476 1.00 0.00 C ATOM 1299 CG2 VAL A 85 3.963 -16.735 6.426 1.00 0.00 C ATOM 1300 OXT VAL A 85 3.421 -14.775 3.591 1.00 0.00 O ATOM 0 H VAL A 85 1.054 -17.131 3.240 1.00 0.00 H new ATOM 0 HA VAL A 85 1.644 -15.324 5.431 1.00 0.00 H new ATOM 0 HB VAL A 85 1.816 -17.135 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.206 -19.235 6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.784 -19.092 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.404 -18.702 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.339 -17.457 7.151 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.653 -16.674 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.879 -15.756 6.898 1.00 0.00 H new TER 1310 VAL A 85