USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 6 LYS NZ :NH3+ 178:sc= 0.71 (180deg=-0.145) USER MOD Set 1.2: A 12 THR OG1 : rot 149:sc= 0.775 USER MOD Single : A 1 MET CE :methyl -176:sc= -0.469 (180deg=-0.497) USER MOD Single : A 1 MET N :NH3+ -163:sc= 2.49 (180deg=2.27) USER MOD Single : A 2 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.352 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.16) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00179 USER MOD Single : A 25 ASN : amide:sc= -0.0588 X(o=-0.059,f=-0.3) USER MOD Single : A 27 LYS NZ :NH3+ 153:sc= 1.22 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ -104:sc= 1.24 (180deg=0.761) USER MOD Single : A 31 GLN : amide:sc= -0.0798 X(o=-0.08,f=-0.016) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= 0.309 (180deg=0.236) USER MOD Single : A 40 GLN : amide:sc= -0.0992 X(o=-0.099,f=-0.42) USER MOD Single : A 41 GLN : amide:sc= 0.642 K(o=0.64,f=-5.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.228 K(o=-0.23,f=-1) USER MOD Single : A 55 THR OG1 : rot -79:sc= 0.854 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.0112 USER MOD Single : A 60 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.0015) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0532 X(o=-0.053,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.199 -7.394 -5.294 1.00 9.67 N ATOM 2 CA MET A 1 11.243 -7.824 -3.874 1.00 10.38 C ATOM 3 C MET A 1 9.885 -8.110 -3.292 1.00 9.62 C ATOM 4 O MET A 1 8.874 -7.616 -3.837 1.00 9.62 O ATOM 5 CB MET A 1 11.970 -6.753 -2.977 1.00 13.77 C ATOM 6 CG MET A 1 11.241 -5.481 -2.710 1.00 16.29 C ATOM 7 SD MET A 1 12.209 -4.129 -1.863 1.00 17.17 S ATOM 8 CE MET A 1 10.860 -2.954 -1.641 1.00 16.11 C ATOM 0 H1 MET A 1 12.145 -7.491 -5.715 1.00 9.67 H new ATOM 0 H2 MET A 1 10.525 -7.989 -5.816 1.00 9.67 H new ATOM 0 H3 MET A 1 10.896 -6.400 -5.347 1.00 9.67 H new ATOM 0 HA MET A 1 11.806 -8.757 -3.874 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.202 -7.217 -2.018 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.920 -6.505 -3.450 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.872 -5.093 -3.660 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.368 -5.710 -2.099 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.248 -2.032 -1.208 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.404 -2.737 -2.607 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.111 -3.381 -0.974 1.00 16.11 H new ATOM 20 N GLN A 2 9.808 -8.888 -2.199 1.00 9.27 N ATOM 21 CA GLN A 2 8.595 -9.258 -1.557 1.00 9.07 C ATOM 22 C GLN A 2 8.295 -8.314 -0.412 1.00 8.72 C ATOM 23 O GLN A 2 9.144 -8.053 0.502 1.00 8.22 O ATOM 24 CB GLN A 2 8.684 -10.686 -0.987 1.00 14.46 C ATOM 25 CG GLN A 2 7.263 -11.205 -0.664 1.00 17.01 C ATOM 26 CD GLN A 2 7.293 -12.702 -0.593 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.374 -13.332 0.479 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.097 -13.352 -1.702 1.00 19.49 N ATOM 0 H GLN A 2 10.634 -9.276 -1.744 1.00 9.27 H new ATOM 0 HA GLN A 2 7.804 -9.210 -2.305 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.168 -11.346 -1.707 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.298 -10.691 -0.086 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.917 -10.790 0.283 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.560 -10.879 -1.430 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.029 -12.846 -2.585 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.011 -14.368 -1.689 1.00 19.49 H new ATOM 37 N ILE A 3 7.072 -7.749 -0.386 1.00 5.87 N ATOM 38 CA ILE A 3 6.499 -7.043 0.755 1.00 5.07 C ATOM 39 C ILE A 3 5.162 -7.701 1.136 1.00 4.01 C ATOM 40 O ILE A 3 4.598 -8.509 0.467 1.00 4.61 O ATOM 41 CB ILE A 3 6.388 -5.587 0.568 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.348 -5.193 -0.436 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.774 -4.897 0.315 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.040 -3.657 -0.389 1.00 10.83 C ATOM 0 H ILE A 3 6.443 -7.778 -1.189 1.00 5.87 H new ATOM 0 HA ILE A 3 7.195 -7.140 1.589 1.00 5.07 H new ATOM 0 HB ILE A 3 6.030 -5.199 1.522 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.688 -5.464 -1.436 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.432 -5.753 -0.248 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.628 -3.825 0.185 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.429 -5.073 1.168 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.229 -5.313 -0.584 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.281 -3.415 -1.133 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.675 -3.389 0.602 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.950 -3.097 -0.604 1.00 10.83 H new ATOM 56 N PHE A 4 4.664 -7.318 2.371 1.00 4.55 N ATOM 57 CA PHE A 4 3.421 -7.806 2.967 1.00 4.68 C ATOM 58 C PHE A 4 2.489 -6.694 3.245 1.00 5.30 C ATOM 59 O PHE A 4 2.932 -5.616 3.675 1.00 5.58 O ATOM 60 CB PHE A 4 3.632 -8.626 4.295 1.00 4.83 C ATOM 61 CG PHE A 4 4.794 -9.620 4.205 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.691 -10.688 3.376 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.004 -9.449 4.946 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.686 -11.686 3.271 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.018 -10.461 4.980 1.00 10.61 C ATOM 66 CZ PHE A 4 6.800 -11.582 4.145 1.00 8.90 C ATOM 0 H PHE A 4 5.149 -6.647 2.966 1.00 4.55 H new ATOM 0 HA PHE A 4 3.000 -8.481 2.222 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.815 -7.935 5.117 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.716 -9.167 4.531 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.805 -10.781 2.766 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.158 -8.532 5.495 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.603 -12.492 2.557 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.895 -10.373 5.605 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.512 -12.394 4.174 1.00 8.90 H new ATOM 76 N VAL A 5 1.202 -6.888 3.092 1.00 4.44 N ATOM 77 CA VAL A 5 0.216 -5.902 3.380 1.00 3.87 C ATOM 78 C VAL A 5 -0.841 -6.538 4.178 1.00 4.93 C ATOM 79 O VAL A 5 -1.377 -7.626 3.814 1.00 6.84 O ATOM 80 CB VAL A 5 -0.350 -5.188 2.178 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.394 -4.090 2.624 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.751 -4.508 1.409 1.00 9.13 C ATOM 0 H VAL A 5 0.810 -7.767 2.753 1.00 4.44 H new ATOM 0 HA VAL A 5 0.708 -5.105 3.938 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.842 -5.931 1.551 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.791 -3.586 1.743 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.210 -4.564 3.169 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.902 -3.361 3.268 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.329 -3.997 0.544 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.249 -3.782 2.052 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.474 -5.252 1.073 1.00 9.13 H new ATOM 92 N LYS A 6 -1.265 -5.889 5.283 1.00 6.04 N ATOM 93 CA LYS A 6 -2.183 -6.457 6.245 1.00 6.12 C ATOM 94 C LYS A 6 -3.426 -5.582 6.325 1.00 6.57 C ATOM 95 O LYS A 6 -3.394 -4.341 6.422 1.00 5.76 O ATOM 96 CB LYS A 6 -1.653 -6.837 7.713 1.00 7.45 C ATOM 97 CG LYS A 6 -0.698 -8.049 7.759 1.00 11.12 C ATOM 98 CD LYS A 6 -0.284 -8.292 9.208 1.00 14.54 C ATOM 99 CE LYS A 6 0.477 -9.578 9.499 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.322 -10.769 9.083 1.00 20.55 N ATOM 0 H LYS A 6 -0.965 -4.943 5.519 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.384 -7.448 5.837 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.141 -5.972 8.135 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.511 -7.043 8.353 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.190 -8.933 7.353 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.180 -7.861 7.142 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.332 -7.453 9.530 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.183 -8.283 9.824 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.430 -9.570 8.970 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.704 -9.640 10.563 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.228 -11.634 9.258 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.205 -10.803 9.631 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.546 -10.700 8.070 1.00 20.55 H new ATOM 114 N THR A 7 -4.639 -6.152 6.342 1.00 7.41 N ATOM 115 CA THR A 7 -5.825 -5.352 6.195 1.00 7.48 C ATOM 116 C THR A 7 -6.344 -5.065 7.577 1.00 8.75 C ATOM 117 O THR A 7 -5.847 -5.713 8.511 1.00 8.58 O ATOM 118 CB THR A 7 -6.855 -5.994 5.261 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.385 -7.248 5.772 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.219 -6.260 3.853 1.00 9.17 C ATOM 0 H THR A 7 -4.806 -7.152 6.455 1.00 7.41 H new ATOM 0 HA THR A 7 -5.593 -4.409 5.701 1.00 7.48 H new ATOM 0 HB THR A 7 -7.680 -5.286 5.188 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.037 -7.611 5.137 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.962 -6.717 3.199 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.885 -5.317 3.420 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.367 -6.932 3.960 1.00 9.17 H new ATOM 128 N LEU A 8 -7.348 -4.189 7.806 1.00 9.84 N ATOM 129 CA LEU A 8 -7.812 -3.779 9.137 1.00 14.15 C ATOM 130 C LEU A 8 -8.491 -4.950 9.795 1.00 17.37 C ATOM 131 O LEU A 8 -8.509 -5.182 10.994 1.00 17.01 O ATOM 132 CB LEU A 8 -8.707 -2.553 9.050 1.00 16.63 C ATOM 133 CG LEU A 8 -9.231 -1.922 10.400 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.067 -1.545 11.288 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.153 -0.725 10.206 1.00 18.59 C ATOM 0 H LEU A 8 -7.865 -3.741 7.049 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.963 -3.485 9.755 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.162 -1.779 8.509 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.575 -2.815 8.445 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.834 -2.694 10.879 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.442 -1.111 12.215 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.480 -2.435 11.515 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.439 -0.817 10.775 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.470 -0.349 11.179 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.621 0.060 9.669 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.028 -1.029 9.632 1.00 18.59 H new ATOM 147 N THR A 9 -9.116 -5.825 9.035 1.00 18.33 N ATOM 148 CA THR A 9 -9.859 -7.052 9.405 1.00 19.24 C ATOM 149 C THR A 9 -9.065 -8.291 9.060 1.00 19.48 C ATOM 150 O THR A 9 -9.499 -9.387 9.160 1.00 23.14 O ATOM 151 CB THR A 9 -11.186 -7.022 8.695 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.118 -6.998 7.293 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.915 -5.749 9.067 1.00 19.70 C ATOM 0 H THR A 9 -9.128 -5.695 8.023 1.00 18.33 H new ATOM 0 HA THR A 9 -10.024 -7.084 10.482 1.00 19.24 H new ATOM 0 HB THR A 9 -11.679 -7.944 9.004 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.025 -6.981 6.922 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.878 -5.719 8.557 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.074 -5.723 10.145 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.319 -4.887 8.767 1.00 19.70 H new ATOM 161 N GLY A 10 -7.775 -8.116 8.774 1.00 19.43 N ATOM 162 CA GLY A 10 -6.714 -9.048 9.222 1.00 18.74 C ATOM 163 C GLY A 10 -6.217 -9.998 8.214 1.00 17.62 C ATOM 164 O GLY A 10 -5.394 -10.880 8.516 1.00 19.74 O ATOM 0 H GLY A 10 -7.426 -7.329 8.227 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.871 -8.459 9.583 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.093 -9.616 10.071 1.00 18.74 H new ATOM 168 N LYS A 11 -6.669 -9.785 6.972 1.00 13.56 N ATOM 169 CA LYS A 11 -6.124 -10.601 5.937 1.00 11.91 C ATOM 170 C LYS A 11 -4.745 -10.104 5.470 1.00 10.18 C ATOM 171 O LYS A 11 -4.522 -8.923 5.527 1.00 9.10 O ATOM 172 CB LYS A 11 -7.158 -10.505 4.802 1.00 13.43 C ATOM 173 CG LYS A 11 -6.878 -11.468 3.644 1.00 16.69 C ATOM 174 CD LYS A 11 -7.820 -11.478 2.375 1.00 17.92 C ATOM 175 CE LYS A 11 -7.252 -12.275 1.183 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.278 -12.495 0.142 1.00 21.93 N ATOM 0 H LYS A 11 -7.366 -9.095 6.692 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.955 -11.624 6.274 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.150 -10.711 5.205 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.175 -9.484 4.420 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.866 -11.267 3.294 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.879 -12.477 4.055 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.786 -11.899 2.654 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.000 -10.450 2.060 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.406 -11.738 0.754 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.875 -13.236 1.533 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.889 -13.105 -0.605 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.110 -12.954 0.566 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.558 -11.581 -0.268 1.00 21.93 H new ATOM 190 N THR A 12 -3.810 -10.968 5.043 1.00 9.63 N ATOM 191 CA THR A 12 -2.498 -10.609 4.595 1.00 9.85 C ATOM 192 C THR A 12 -2.383 -10.850 3.123 1.00 11.66 C ATOM 193 O THR A 12 -2.864 -11.877 2.682 1.00 12.33 O ATOM 194 CB THR A 12 -1.401 -11.435 5.348 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.700 -11.357 6.753 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.047 -10.707 5.179 1.00 9.63 C ATOM 0 H THR A 12 -3.977 -11.974 5.008 1.00 9.63 H new ATOM 0 HA THR A 12 -2.342 -9.552 4.809 1.00 9.85 H new ATOM 0 HB THR A 12 -1.369 -12.458 4.972 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.408 -12.181 7.196 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.733 -11.265 5.696 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.199 -10.637 4.119 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.117 -9.705 5.602 1.00 9.63 H new ATOM 204 N ILE A 13 -1.758 -9.960 2.353 1.00 10.42 N ATOM 205 CA ILE A 13 -1.474 -10.127 0.921 1.00 11.84 C ATOM 206 C ILE A 13 -0.004 -9.924 0.639 1.00 10.55 C ATOM 207 O ILE A 13 0.573 -9.061 1.298 1.00 11.92 O ATOM 208 CB ILE A 13 -2.356 -9.293 0.056 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.376 -7.781 0.445 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.757 -9.914 0.216 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.202 -6.930 -0.471 1.00 16.46 C ATOM 0 H ILE A 13 -1.422 -9.069 2.719 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.714 -11.157 0.656 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.992 -9.299 -0.972 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.759 -7.682 1.461 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.353 -7.404 0.452 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.473 -9.359 -0.390 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.734 -10.953 -0.111 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.057 -9.870 1.263 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.166 -5.894 -0.135 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.807 -6.997 -1.485 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.234 -7.280 -0.460 1.00 16.46 H new ATOM 223 N THR A 14 0.557 -10.646 -0.355 1.00 9.39 N ATOM 224 CA THR A 14 1.997 -10.678 -0.523 1.00 9.63 C ATOM 225 C THR A 14 2.291 -10.028 -1.876 1.00 11.20 C ATOM 226 O THR A 14 2.065 -10.628 -2.949 1.00 11.63 O ATOM 227 CB THR A 14 2.520 -12.115 -0.552 1.00 10.38 C ATOM 228 OG1 THR A 14 2.062 -12.780 0.633 1.00 16.30 O ATOM 229 CG2 THR A 14 4.053 -12.048 -0.568 1.00 11.66 C ATOM 0 H THR A 14 0.033 -11.199 -1.033 1.00 9.39 H new ATOM 0 HA THR A 14 2.480 -10.160 0.306 1.00 9.63 H new ATOM 0 HB THR A 14 2.166 -12.660 -1.427 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.385 -13.705 0.634 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.461 -13.058 -0.589 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.384 -11.505 -1.453 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.404 -11.533 0.326 1.00 11.66 H new ATOM 237 N LEU A 15 2.764 -8.777 -1.886 1.00 8.29 N ATOM 238 CA LEU A 15 3.035 -8.064 -3.097 1.00 9.03 C ATOM 239 C LEU A 15 4.504 -8.268 -3.510 1.00 8.59 C ATOM 240 O LEU A 15 5.432 -8.274 -2.701 1.00 7.79 O ATOM 241 CB LEU A 15 2.757 -6.552 -3.038 1.00 11.08 C ATOM 242 CG LEU A 15 1.366 -6.249 -2.424 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.160 -4.751 -2.158 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.195 -6.741 -3.223 1.00 15.27 C ATOM 0 H LEU A 15 2.964 -8.245 -1.039 1.00 8.29 H new ATOM 0 HA LEU A 15 2.342 -8.482 -3.828 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.531 -6.062 -2.446 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.811 -6.132 -4.043 1.00 11.08 H new ATOM 0 HG LEU A 15 1.387 -6.809 -1.489 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.171 -4.590 -1.728 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.920 -4.397 -1.462 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.242 -4.200 -3.095 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.731 -6.480 -2.710 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.207 -6.277 -4.209 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.257 -7.824 -3.331 1.00 15.27 H new ATOM 256 N GLU A 16 4.762 -8.446 -4.842 1.00 11.04 N ATOM 257 CA GLU A 16 6.091 -8.426 -5.438 1.00 11.50 C ATOM 258 C GLU A 16 6.310 -7.022 -5.976 1.00 10.13 C ATOM 259 O GLU A 16 5.674 -6.552 -6.911 1.00 9.83 O ATOM 260 CB GLU A 16 6.169 -9.394 -6.650 1.00 17.22 C ATOM 261 CG GLU A 16 7.506 -9.458 -7.417 1.00 23.33 C ATOM 262 CD GLU A 16 8.677 -9.887 -6.613 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.720 -10.931 -5.864 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.674 -9.128 -6.680 1.00 28.86 O ATOM 0 H GLU A 16 4.022 -8.609 -5.525 1.00 11.04 H new ATOM 0 HA GLU A 16 6.829 -8.721 -4.692 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.934 -10.398 -6.296 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.387 -9.114 -7.356 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.392 -10.143 -8.257 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.714 -8.473 -7.835 1.00 23.33 H new ATOM 271 N VAL A 17 7.192 -6.224 -5.393 1.00 8.99 N ATOM 272 CA VAL A 17 7.325 -4.797 -5.626 1.00 8.85 C ATOM 273 C VAL A 17 8.781 -4.448 -5.894 1.00 8.04 C ATOM 274 O VAL A 17 9.689 -5.234 -5.715 1.00 8.99 O ATOM 275 CB VAL A 17 6.776 -3.910 -4.449 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.318 -4.185 -4.083 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.723 -4.078 -3.266 1.00 10.54 C ATOM 0 H VAL A 17 7.866 -6.573 -4.712 1.00 8.99 H new ATOM 0 HA VAL A 17 6.710 -4.572 -6.498 1.00 8.85 H new ATOM 0 HB VAL A 17 6.756 -2.870 -4.774 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.019 -3.532 -3.263 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.683 -3.995 -4.949 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.210 -5.225 -3.776 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.371 -3.474 -2.429 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.753 -5.127 -2.970 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.723 -3.753 -3.552 1.00 10.54 H new ATOM 287 N GLU A 18 9.010 -3.135 -6.283 1.00 7.29 N ATOM 288 CA GLU A 18 10.372 -2.668 -6.410 1.00 7.08 C ATOM 289 C GLU A 18 10.555 -1.537 -5.476 1.00 6.45 C ATOM 290 O GLU A 18 9.574 -0.867 -5.242 1.00 5.28 O ATOM 291 CB GLU A 18 10.833 -2.243 -7.864 1.00 10.28 C ATOM 292 CG GLU A 18 11.141 -3.409 -8.745 1.00 12.65 C ATOM 293 CD GLU A 18 11.849 -2.967 -10.022 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.990 -2.388 -9.790 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.275 -3.048 -11.128 1.00 14.33 O ATOM 0 H GLU A 18 8.286 -2.448 -6.494 1.00 7.29 H new ATOM 0 HA GLU A 18 11.006 -3.522 -6.171 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.049 -1.643 -8.326 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.717 -1.609 -7.788 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.768 -4.119 -8.206 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.218 -3.929 -9.000 1.00 12.65 H new ATOM 302 N PRO A 19 11.698 -1.137 -4.863 1.00 7.24 N ATOM 303 CA PRO A 19 11.885 0.085 -4.004 1.00 7.07 C ATOM 304 C PRO A 19 11.483 1.390 -4.840 1.00 6.65 C ATOM 305 O PRO A 19 10.993 2.366 -4.254 1.00 6.37 O ATOM 306 CB PRO A 19 13.371 0.067 -3.615 1.00 7.61 C ATOM 307 CG PRO A 19 13.759 -1.376 -3.794 1.00 8.16 C ATOM 308 CD PRO A 19 12.912 -1.903 -4.935 1.00 7.49 C ATOM 0 HA PRO A 19 11.257 0.094 -3.113 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.962 0.724 -4.253 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.522 0.400 -2.588 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.821 -1.468 -4.023 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.579 -1.944 -2.881 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.410 -1.768 -5.895 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.716 -2.970 -4.825 1.00 7.49 H new ATOM 316 N SER A 20 11.742 1.442 -6.123 1.00 6.80 N ATOM 317 CA SER A 20 11.561 2.655 -6.924 1.00 6.28 C ATOM 318 C SER A 20 10.211 2.754 -7.565 1.00 8.45 C ATOM 319 O SER A 20 9.867 3.693 -8.312 1.00 7.26 O ATOM 320 CB SER A 20 12.612 2.777 -8.088 1.00 8.57 C ATOM 321 OG SER A 20 12.750 1.491 -8.724 1.00 11.13 O ATOM 0 H SER A 20 12.088 0.644 -6.657 1.00 6.80 H new ATOM 0 HA SER A 20 11.689 3.457 -6.197 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.288 3.524 -8.813 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.573 3.109 -7.696 1.00 8.57 H new ATOM 0 HG SER A 20 13.402 1.555 -9.453 1.00 11.13 H new ATOM 327 N ASP A 21 9.289 1.790 -7.227 1.00 7.50 N ATOM 328 CA ASP A 21 7.868 1.820 -7.541 1.00 7.70 C ATOM 329 C ASP A 21 7.166 2.799 -6.582 1.00 7.08 C ATOM 330 O ASP A 21 7.662 2.974 -5.487 1.00 8.11 O ATOM 331 CB ASP A 21 7.156 0.398 -7.475 1.00 11.00 C ATOM 332 CG ASP A 21 7.504 -0.430 -8.655 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.088 0.194 -9.605 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.133 -1.654 -8.740 1.00 14.36 O ATOM 0 H ASP A 21 9.554 0.952 -6.710 1.00 7.50 H new ATOM 0 HA ASP A 21 7.782 2.148 -8.577 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.455 -0.119 -6.563 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.075 0.531 -7.427 1.00 11.00 H new ATOM 339 N THR A 22 6.072 3.430 -6.974 1.00 5.37 N ATOM 340 CA THR A 22 5.326 4.435 -6.294 1.00 6.01 C ATOM 341 C THR A 22 4.210 3.761 -5.480 1.00 8.01 C ATOM 342 O THR A 22 3.702 2.658 -5.798 1.00 8.11 O ATOM 343 CB THR A 22 4.806 5.526 -7.126 1.00 8.92 C ATOM 344 OG1 THR A 22 4.191 5.028 -8.345 1.00 10.22 O ATOM 345 CG2 THR A 22 6.002 6.378 -7.545 1.00 9.65 C ATOM 0 H THR A 22 5.652 3.215 -7.878 1.00 5.37 H new ATOM 0 HA THR A 22 6.034 4.944 -5.640 1.00 6.01 H new ATOM 0 HB THR A 22 4.059 6.078 -6.555 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.855 5.782 -8.873 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.660 7.204 -8.168 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.496 6.773 -6.657 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.705 5.765 -8.109 1.00 9.65 H new ATOM 353 N ILE A 23 3.686 4.409 -4.447 1.00 8.32 N ATOM 354 CA ILE A 23 2.533 3.972 -3.629 1.00 9.92 C ATOM 355 C ILE A 23 1.297 3.747 -4.447 1.00 10.01 C ATOM 356 O ILE A 23 0.564 2.826 -4.156 1.00 8.71 O ATOM 357 CB ILE A 23 2.321 5.029 -2.492 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.430 4.951 -1.406 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.921 4.900 -1.837 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.603 3.577 -0.721 1.00 12.30 C ATOM 0 H ILE A 23 4.065 5.302 -4.131 1.00 8.32 H new ATOM 0 HA ILE A 23 2.747 2.999 -3.187 1.00 9.92 H new ATOM 0 HB ILE A 23 2.386 6.006 -2.970 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.380 5.231 -1.862 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.214 5.694 -0.638 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.815 5.651 -1.054 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.150 5.052 -2.593 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.812 3.906 -1.403 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.402 3.637 0.018 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.673 3.297 -0.227 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.856 2.826 -1.470 1.00 12.30 H new ATOM 372 N GLU A 24 1.034 4.545 -5.462 1.00 9.54 N ATOM 373 CA GLU A 24 -0.017 4.321 -6.461 1.00 11.81 C ATOM 374 C GLU A 24 0.120 3.076 -7.286 1.00 11.14 C ATOM 375 O GLU A 24 -0.846 2.303 -7.524 1.00 10.62 O ATOM 376 CB GLU A 24 0.019 5.541 -7.412 1.00 19.24 C ATOM 377 CG GLU A 24 -1.222 5.563 -8.340 1.00 27.76 C ATOM 378 CD GLU A 24 -1.168 6.656 -9.423 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.394 7.822 -8.977 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.780 6.357 -10.585 1.00 34.80 O ATOM 0 H GLU A 24 1.561 5.402 -5.629 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.953 4.196 -5.916 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.056 6.460 -6.828 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.927 5.509 -8.015 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.321 4.591 -8.823 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.115 5.710 -7.733 1.00 27.76 H new ATOM 387 N ASN A 25 1.350 2.745 -7.702 1.00 9.43 N ATOM 388 CA ASN A 25 1.750 1.523 -8.395 1.00 10.96 C ATOM 389 C ASN A 25 1.436 0.317 -7.443 1.00 9.68 C ATOM 390 O ASN A 25 0.794 -0.652 -7.787 1.00 9.33 O ATOM 391 CB ASN A 25 3.202 1.579 -8.919 1.00 16.78 C ATOM 392 CG ASN A 25 3.454 0.384 -9.718 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.173 -0.504 -9.252 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.861 0.311 -10.967 1.00 24.70 N ATOM 0 H ASN A 25 2.142 3.370 -7.551 1.00 9.43 H new ATOM 0 HA ASN A 25 1.175 1.395 -9.312 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.353 2.475 -9.521 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.903 1.632 -8.086 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.009 -0.509 -11.555 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.276 1.077 -11.299 1.00 24.70 H new ATOM 401 N VAL A 26 1.800 0.457 -6.143 1.00 6.52 N ATOM 402 CA VAL A 26 1.363 -0.492 -5.065 1.00 5.53 C ATOM 403 C VAL A 26 -0.208 -0.633 -4.903 1.00 4.42 C ATOM 404 O VAL A 26 -0.621 -1.774 -4.859 1.00 3.40 O ATOM 405 CB VAL A 26 2.063 -0.348 -3.757 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.646 -1.520 -2.860 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.553 -0.307 -4.165 1.00 8.12 C ATOM 0 H VAL A 26 2.395 1.215 -5.807 1.00 6.52 H new ATOM 0 HA VAL A 26 1.707 -1.449 -5.456 1.00 5.53 H new ATOM 0 HB VAL A 26 1.827 0.537 -3.166 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.147 -1.436 -1.895 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.566 -1.498 -2.712 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.928 -2.460 -3.335 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.172 -0.202 -3.274 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.814 -1.231 -4.681 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.725 0.541 -4.828 1.00 8.12 H new ATOM 417 N LYS A 27 -1.012 0.478 -4.841 1.00 2.64 N ATOM 418 CA LYS A 27 -2.477 0.377 -4.854 1.00 4.14 C ATOM 419 C LYS A 27 -3.097 -0.342 -6.058 1.00 5.58 C ATOM 420 O LYS A 27 -3.988 -1.161 -5.860 1.00 4.11 O ATOM 421 CB LYS A 27 -3.098 1.754 -4.529 1.00 3.97 C ATOM 422 CG LYS A 27 -2.627 2.346 -3.175 1.00 7.45 C ATOM 423 CD LYS A 27 -3.393 3.579 -2.830 1.00 9.02 C ATOM 424 CE LYS A 27 -3.193 4.752 -3.909 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.770 6.045 -3.510 1.00 15.47 N ATOM 0 H LYS A 27 -0.658 1.433 -4.783 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.747 -0.315 -4.056 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.849 2.453 -5.327 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.184 1.659 -4.516 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.753 1.604 -2.387 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.563 2.578 -3.227 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.453 3.335 -2.756 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.079 3.935 -1.849 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.127 4.884 -4.092 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.642 4.442 -4.853 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.248 6.816 -3.973 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.769 6.083 -3.797 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.702 6.152 -2.478 1.00 15.47 H new ATOM 439 N ALA A 28 -2.598 -0.189 -7.286 1.00 6.61 N ATOM 440 CA ALA A 28 -3.077 -0.953 -8.416 1.00 7.74 C ATOM 441 C ALA A 28 -2.775 -2.466 -8.233 1.00 9.17 C ATOM 442 O ALA A 28 -3.607 -3.307 -8.480 1.00 11.45 O ATOM 443 CB ALA A 28 -2.469 -0.439 -9.731 1.00 7.68 C ATOM 0 H ALA A 28 -1.853 0.469 -7.514 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.158 -0.823 -8.468 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.847 -1.033 -10.563 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.745 0.606 -9.875 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.383 -0.525 -9.688 1.00 7.68 H new ATOM 449 N LYS A 29 -1.568 -2.817 -7.722 1.00 8.96 N ATOM 450 CA LYS A 29 -1.233 -4.234 -7.379 1.00 7.90 C ATOM 451 C LYS A 29 -2.184 -4.879 -6.318 1.00 6.92 C ATOM 452 O LYS A 29 -2.602 -6.046 -6.470 1.00 6.87 O ATOM 453 CB LYS A 29 0.277 -4.240 -7.010 1.00 10.28 C ATOM 454 CG LYS A 29 0.932 -5.625 -7.190 1.00 14.94 C ATOM 455 CD LYS A 29 2.503 -5.585 -7.276 1.00 19.69 C ATOM 456 CE LYS A 29 2.907 -5.298 -8.706 1.00 22.63 C ATOM 457 NZ LYS A 29 4.339 -5.170 -8.770 1.00 24.98 N ATOM 0 H LYS A 29 -0.816 -2.153 -7.538 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.406 -4.892 -8.230 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.801 -3.512 -7.630 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.394 -3.920 -5.975 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.640 -6.264 -6.357 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.540 -6.085 -8.097 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.898 -4.817 -6.611 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.923 -6.536 -6.949 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.571 -6.102 -9.361 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.431 -4.382 -9.055 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.594 -4.165 -8.853 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.762 -5.565 -7.906 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.697 -5.688 -9.598 1.00 24.98 H new ATOM 471 N ILE A 30 -2.662 -4.057 -5.292 1.00 4.57 N ATOM 472 CA ILE A 30 -3.686 -4.558 -4.401 1.00 5.58 C ATOM 473 C ILE A 30 -5.060 -4.673 -5.114 1.00 7.26 C ATOM 474 O ILE A 30 -5.783 -5.642 -4.904 1.00 9.46 O ATOM 475 CB ILE A 30 -3.845 -3.565 -3.230 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.518 -3.459 -2.408 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.012 -3.997 -2.343 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.497 -2.253 -1.493 1.00 2.00 C ATOM 0 H ILE A 30 -2.346 -3.105 -5.107 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.383 -5.548 -4.059 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.061 -2.575 -3.631 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.389 -4.364 -1.814 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.673 -3.405 -3.094 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.121 -3.294 -1.517 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.930 -4.012 -2.931 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.819 -4.994 -1.947 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.554 -2.227 -0.946 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.597 -1.344 -2.086 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.324 -2.318 -0.786 1.00 2.00 H new ATOM 490 N GLN A 31 -5.359 -3.821 -6.137 1.00 7.06 N ATOM 491 CA GLN A 31 -6.448 -4.062 -7.048 1.00 8.67 C ATOM 492 C GLN A 31 -6.379 -5.305 -7.848 1.00 10.90 C ATOM 493 O GLN A 31 -7.326 -6.101 -7.834 1.00 9.63 O ATOM 494 CB GLN A 31 -6.705 -2.793 -7.975 1.00 9.12 C ATOM 495 CG GLN A 31 -7.994 -2.865 -8.820 1.00 10.76 C ATOM 496 CD GLN A 31 -8.224 -1.770 -9.878 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.355 -1.360 -9.997 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.184 -1.463 -10.684 1.00 14.76 N ATOM 0 H GLN A 31 -4.840 -2.964 -6.327 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.304 -4.228 -6.394 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.747 -1.903 -7.347 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.854 -2.670 -8.645 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.007 -3.829 -9.328 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.843 -2.853 -8.137 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.263 -1.861 -10.502 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.320 -0.833 -11.475 1.00 14.76 H new ATOM 507 N ASP A 32 -5.197 -5.614 -8.349 1.00 10.93 N ATOM 508 CA ASP A 32 -4.978 -6.915 -8.944 1.00 14.01 C ATOM 509 C ASP A 32 -5.197 -8.058 -7.974 1.00 14.04 C ATOM 510 O ASP A 32 -5.926 -9.007 -8.337 1.00 13.39 O ATOM 511 CB ASP A 32 -3.435 -6.983 -9.424 1.00 18.01 C ATOM 512 CG ASP A 32 -3.268 -7.957 -10.639 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.811 -7.746 -11.745 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.567 -8.993 -10.421 1.00 25.17 O ATOM 0 H ASP A 32 -4.388 -4.993 -8.356 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.691 -7.026 -9.761 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.093 -5.986 -9.703 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.808 -7.316 -8.597 1.00 18.01 H new ATOM 519 N LYS A 33 -4.701 -8.086 -6.740 1.00 14.22 N ATOM 520 CA LYS A 33 -4.994 -9.059 -5.658 1.00 14.00 C ATOM 521 C LYS A 33 -6.519 -9.200 -5.295 1.00 12.37 C ATOM 522 O LYS A 33 -7.141 -10.218 -5.557 1.00 12.17 O ATOM 523 CB LYS A 33 -4.330 -8.607 -4.333 1.00 18.62 C ATOM 524 CG LYS A 33 -2.854 -8.742 -4.355 1.00 24.00 C ATOM 525 CD LYS A 33 -2.303 -10.180 -4.463 1.00 27.61 C ATOM 526 CE LYS A 33 -0.816 -10.274 -4.180 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.338 -11.689 -4.334 1.00 30.06 N ATOM 0 H LYS A 33 -4.031 -7.381 -6.433 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.616 -10.003 -6.051 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.592 -7.567 -4.137 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.732 -9.198 -3.510 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.470 -8.164 -5.195 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.455 -8.289 -3.447 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.840 -10.821 -3.764 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.501 -10.563 -5.464 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.269 -9.623 -4.862 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.610 -9.923 -3.169 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.609 -11.783 -3.914 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.997 -12.332 -3.851 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.295 -11.933 -5.344 1.00 30.06 H new ATOM 541 N GLU A 34 -7.119 -8.101 -4.791 1.00 10.11 N ATOM 542 CA GLU A 34 -8.343 -8.142 -4.118 1.00 10.07 C ATOM 543 C GLU A 34 -9.519 -7.405 -4.764 1.00 9.32 C ATOM 544 O GLU A 34 -10.669 -7.518 -4.342 1.00 11.61 O ATOM 545 CB GLU A 34 -8.142 -7.432 -2.662 1.00 14.77 C ATOM 546 CG GLU A 34 -7.151 -8.117 -1.711 1.00 18.75 C ATOM 547 CD GLU A 34 -7.511 -9.547 -1.407 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.509 -9.858 -0.678 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.904 -10.456 -2.004 1.00 21.95 O ATOM 0 H GLU A 34 -6.723 -7.164 -4.865 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.601 -9.201 -4.105 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.811 -6.406 -2.823 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.112 -7.380 -2.168 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.154 -8.086 -2.151 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.105 -7.555 -0.778 1.00 18.75 H new ATOM 556 N GLY A 35 -9.288 -6.836 -5.917 1.00 7.22 N ATOM 557 CA GLY A 35 -10.320 -6.240 -6.676 1.00 6.29 C ATOM 558 C GLY A 35 -10.797 -4.855 -6.206 1.00 6.93 C ATOM 559 O GLY A 35 -11.841 -4.340 -6.559 1.00 7.41 O ATOM 0 H GLY A 35 -8.365 -6.780 -6.347 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.980 -6.153 -7.708 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.176 -6.914 -6.679 1.00 6.29 H new ATOM 563 N ILE A 36 -10.021 -4.230 -5.287 1.00 5.86 N ATOM 564 CA ILE A 36 -10.330 -3.009 -4.589 1.00 6.07 C ATOM 565 C ILE A 36 -9.765 -1.883 -5.414 1.00 6.36 C ATOM 566 O ILE A 36 -8.546 -1.878 -5.628 1.00 6.18 O ATOM 567 CB ILE A 36 -9.655 -3.060 -3.176 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.202 -4.211 -2.297 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.887 -1.742 -2.469 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.374 -4.372 -1.018 1.00 9.49 C ATOM 0 H ILE A 36 -9.113 -4.607 -5.014 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.402 -2.870 -4.452 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.591 -3.241 -3.327 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.242 -4.012 -2.038 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.188 -5.143 -2.863 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.420 -1.770 -1.485 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.450 -0.933 -3.055 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.958 -1.572 -2.358 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.782 -5.188 -0.421 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.340 -4.596 -1.280 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.411 -3.447 -0.442 1.00 9.49 H new ATOM 582 N PRO A 37 -10.486 -0.861 -5.897 1.00 8.65 N ATOM 583 CA PRO A 37 -9.926 0.294 -6.656 1.00 9.18 C ATOM 584 C PRO A 37 -8.810 1.015 -6.017 1.00 9.85 C ATOM 585 O PRO A 37 -8.868 1.066 -4.786 1.00 8.51 O ATOM 586 CB PRO A 37 -11.154 1.192 -6.764 1.00 11.42 C ATOM 587 CG PRO A 37 -12.271 0.152 -6.997 1.00 9.27 C ATOM 588 CD PRO A 37 -11.970 -0.779 -5.898 1.00 8.33 C ATOM 0 HA PRO A 37 -9.471 -0.032 -7.592 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.318 1.775 -5.858 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.074 1.901 -7.588 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.269 0.584 -6.918 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.205 -0.321 -7.977 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.351 -0.410 -4.946 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.424 -1.756 -6.066 1.00 8.33 H new ATOM 596 N PRO A 38 -7.802 1.645 -6.701 1.00 8.71 N ATOM 597 CA PRO A 38 -6.675 2.305 -5.979 1.00 9.08 C ATOM 598 C PRO A 38 -7.221 3.576 -5.218 1.00 9.28 C ATOM 599 O PRO A 38 -6.722 4.051 -4.224 1.00 6.50 O ATOM 600 CB PRO A 38 -5.610 2.496 -7.121 1.00 10.31 C ATOM 601 CG PRO A 38 -6.362 2.311 -8.449 1.00 10.81 C ATOM 602 CD PRO A 38 -7.409 1.239 -8.071 1.00 12.00 C ATOM 0 HA PRO A 38 -6.199 1.762 -5.163 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.155 3.485 -7.067 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.804 1.769 -7.026 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.828 3.236 -8.788 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.703 1.975 -9.249 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.258 1.242 -8.755 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.987 0.234 -8.091 1.00 12.00 H new ATOM 610 N ASP A 39 -8.343 4.093 -5.748 1.00 11.20 N ATOM 611 CA ASP A 39 -9.205 5.083 -5.228 1.00 14.96 C ATOM 612 C ASP A 39 -9.657 4.789 -3.813 1.00 13.99 C ATOM 613 O ASP A 39 -9.886 5.775 -3.123 1.00 13.75 O ATOM 614 CB ASP A 39 -10.528 5.236 -6.045 1.00 24.16 C ATOM 615 CG ASP A 39 -10.321 5.819 -7.393 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.922 7.021 -7.490 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.578 5.098 -8.384 1.00 34.22 O ATOM 0 H ASP A 39 -8.675 3.766 -6.655 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.599 5.987 -5.277 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.998 4.258 -6.148 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.221 5.866 -5.487 1.00 24.16 H new ATOM 622 N GLN A 40 -9.915 3.521 -3.407 1.00 11.60 N ATOM 623 CA GLN A 40 -10.591 3.200 -2.185 1.00 10.76 C ATOM 624 C GLN A 40 -9.588 2.897 -1.116 1.00 8.01 C ATOM 625 O GLN A 40 -9.941 2.711 0.086 1.00 8.96 O ATOM 626 CB GLN A 40 -11.561 2.059 -2.559 1.00 11.14 C ATOM 627 CG GLN A 40 -12.661 1.698 -1.503 1.00 14.85 C ATOM 628 CD GLN A 40 -13.536 0.557 -1.953 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.263 -0.589 -1.663 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.741 0.958 -2.561 1.00 18.16 N ATOM 0 H GLN A 40 -9.643 2.700 -3.948 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.173 4.014 -1.753 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.059 2.327 -3.491 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.973 1.163 -2.758 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.183 1.435 -0.559 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.280 2.575 -1.313 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.901 1.942 -2.776 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.454 0.264 -2.786 1.00 18.16 H new ATOM 639 N GLN A 41 -8.287 2.859 -1.456 1.00 6.52 N ATOM 640 CA GLN A 41 -7.291 2.287 -0.605 1.00 3.87 C ATOM 641 C GLN A 41 -6.488 3.395 -0.012 1.00 4.79 C ATOM 642 O GLN A 41 -6.245 4.436 -0.558 1.00 6.34 O ATOM 643 CB GLN A 41 -6.262 1.404 -1.404 1.00 4.20 C ATOM 644 CG GLN A 41 -7.018 0.156 -2.050 1.00 3.20 C ATOM 645 CD GLN A 41 -5.975 -0.525 -2.932 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.784 -0.509 -2.642 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.362 -0.980 -4.134 1.00 7.13 N ATOM 0 H GLN A 41 -7.922 3.230 -2.333 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.810 1.677 0.134 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.786 1.998 -2.184 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.470 1.058 -0.739 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.388 -0.522 -1.281 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.880 0.476 -2.634 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.352 -0.995 -4.379 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.666 -1.311 -4.802 1.00 7.13 H new ATOM 656 N ARG A 42 -6.159 3.183 1.275 1.00 5.73 N ATOM 657 CA ARG A 42 -5.242 4.053 2.069 1.00 6.97 C ATOM 658 C ARG A 42 -4.167 3.182 2.774 1.00 7.15 C ATOM 659 O ARG A 42 -4.517 2.198 3.449 1.00 7.33 O ATOM 660 CB ARG A 42 -5.918 4.773 3.156 1.00 13.23 C ATOM 661 CG ARG A 42 -7.079 5.712 2.713 1.00 21.27 C ATOM 662 CD ARG A 42 -7.559 6.655 3.794 1.00 26.14 C ATOM 663 NE ARG A 42 -8.758 7.457 3.342 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.959 7.411 3.970 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.261 6.570 4.938 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.873 8.274 3.640 1.00 36.39 N ATOM 0 H ARG A 42 -6.522 2.394 1.810 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.828 4.761 1.351 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.313 4.043 3.862 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.177 5.367 3.692 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.750 6.298 1.855 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.918 5.102 2.380 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.818 6.085 4.686 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.751 7.332 4.071 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.659 8.061 2.526 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.568 5.895 5.261 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.187 6.594 5.364 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.681 8.970 2.920 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.783 8.255 4.101 1.00 36.39 H new ATOM 680 N LEU A 43 -2.864 3.561 2.594 1.00 4.65 N ATOM 681 CA LEU A 43 -1.787 2.652 3.061 1.00 3.51 C ATOM 682 C LEU A 43 -1.206 3.404 4.179 1.00 5.56 C ATOM 683 O LEU A 43 -0.980 4.656 4.080 1.00 4.19 O ATOM 684 CB LEU A 43 -0.732 2.430 1.917 1.00 3.74 C ATOM 685 CG LEU A 43 -1.235 1.864 0.548 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.042 1.280 -0.242 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.413 0.856 0.594 1.00 6.41 C ATOM 0 H LEU A 43 -2.555 4.430 2.159 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.132 1.658 3.344 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.245 3.386 1.723 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.033 1.753 2.296 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.667 2.726 0.039 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.395 0.886 -1.195 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.693 2.064 -0.423 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.418 0.477 0.334 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.663 0.542 -0.419 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.124 -0.015 1.183 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.281 1.331 1.051 1.00 6.41 H new ATOM 699 N ILE A 44 -0.955 2.736 5.307 1.00 4.58 N ATOM 700 CA ILE A 44 -0.366 3.263 6.470 1.00 5.55 C ATOM 701 C ILE A 44 0.860 2.390 6.688 1.00 5.46 C ATOM 702 O ILE A 44 0.879 1.211 6.346 1.00 6.04 O ATOM 703 CB ILE A 44 -1.363 3.174 7.700 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.650 4.098 7.603 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.683 3.463 9.073 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.583 3.930 8.837 1.00 13.90 C ATOM 0 H ILE A 44 -1.186 1.747 5.405 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.112 4.319 6.373 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.684 2.134 7.645 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.342 5.140 7.520 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.203 3.856 6.695 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.423 3.385 9.869 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.113 2.738 9.245 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.262 4.469 9.066 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.451 4.581 8.728 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.913 2.893 8.905 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.040 4.198 9.743 1.00 13.90 H new ATOM 718 N PHE A 45 1.965 3.096 7.111 1.00 6.75 N ATOM 719 CA PHE A 45 3.129 2.458 7.562 1.00 4.70 C ATOM 720 C PHE A 45 3.749 3.373 8.561 1.00 6.34 C ATOM 721 O PHE A 45 3.837 4.575 8.315 1.00 5.45 O ATOM 722 CB PHE A 45 4.053 2.000 6.415 1.00 5.51 C ATOM 723 CG PHE A 45 5.377 1.354 6.783 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.394 0.130 7.446 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.611 1.989 6.491 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.619 -0.507 7.730 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.834 1.411 6.834 1.00 6.64 C ATOM 728 CZ PHE A 45 7.862 0.145 7.418 1.00 6.84 C ATOM 0 H PHE A 45 2.014 4.115 7.126 1.00 6.75 H new ATOM 0 HA PHE A 45 2.902 1.509 8.047 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.496 1.294 5.799 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.267 2.868 5.791 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.465 -0.333 7.744 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.604 2.946 5.990 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.624 -1.487 8.183 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.756 1.942 6.648 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.803 -0.339 7.633 1.00 6.84 H new ATOM 738 N ALA A 46 4.202 2.929 9.753 1.00 6.53 N ATOM 739 CA ALA A 46 4.944 3.768 10.715 1.00 7.15 C ATOM 740 C ALA A 46 4.197 4.946 11.315 1.00 9.00 C ATOM 741 O ALA A 46 4.765 5.993 11.694 1.00 11.15 O ATOM 742 CB ALA A 46 6.323 4.239 10.143 1.00 8.99 C ATOM 0 H ALA A 46 4.061 1.972 10.076 1.00 6.53 H new ATOM 0 HA ALA A 46 5.097 3.085 11.551 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.834 4.853 10.885 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.936 3.369 9.908 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.161 4.823 9.237 1.00 8.99 H new ATOM 748 N GLY A 47 2.864 4.803 11.336 1.00 9.35 N ATOM 749 CA GLY A 47 1.863 5.811 11.728 1.00 11.68 C ATOM 750 C GLY A 47 1.634 6.806 10.690 1.00 11.14 C ATOM 751 O GLY A 47 0.840 7.728 10.926 1.00 13.93 O ATOM 0 H GLY A 47 2.426 3.924 11.062 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.923 5.312 11.962 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.193 6.311 12.639 1.00 11.68 H new ATOM 755 N LYS A 48 2.253 6.701 9.515 1.00 10.47 N ATOM 756 CA LYS A 48 2.190 7.727 8.470 1.00 8.82 C ATOM 757 C LYS A 48 1.240 7.215 7.368 1.00 7.68 C ATOM 758 O LYS A 48 1.357 6.046 6.990 1.00 6.47 O ATOM 759 CB LYS A 48 3.523 7.835 7.809 1.00 9.74 C ATOM 760 CG LYS A 48 4.678 8.474 8.606 1.00 14.14 C ATOM 761 CD LYS A 48 6.055 8.151 7.942 1.00 16.32 C ATOM 762 CE LYS A 48 7.294 8.685 8.649 1.00 20.04 C ATOM 763 NZ LYS A 48 8.527 8.323 8.035 1.00 23.92 N ATOM 0 H LYS A 48 2.819 5.893 9.257 1.00 10.47 H new ATOM 0 HA LYS A 48 1.874 8.673 8.909 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.833 6.831 7.518 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.395 8.408 6.890 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.538 9.554 8.656 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.667 8.103 9.631 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.149 7.068 7.861 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.045 8.547 6.926 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.231 9.772 8.694 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.295 8.323 9.677 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.317 8.726 8.578 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.614 7.287 8.015 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.552 8.691 7.063 1.00 23.92 H new ATOM 777 N GLN A 49 0.416 8.160 6.740 1.00 8.89 N ATOM 778 CA GLN A 49 -0.388 7.817 5.524 1.00 7.18 C ATOM 779 C GLN A 49 0.332 8.087 4.263 1.00 8.23 C ATOM 780 O GLN A 49 0.846 9.152 3.973 1.00 9.70 O ATOM 781 CB GLN A 49 -1.839 8.418 5.414 1.00 11.67 C ATOM 782 CG GLN A 49 -2.812 7.820 6.433 1.00 15.82 C ATOM 783 CD GLN A 49 -4.234 8.369 6.155 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.750 8.309 5.001 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.899 9.048 7.180 1.00 20.67 N ATOM 0 H GLN A 49 0.308 9.123 7.058 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.527 6.746 5.675 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.791 9.498 5.556 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.223 8.245 4.409 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.808 6.732 6.364 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.501 8.076 7.446 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.485 9.098 8.111 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.798 9.494 6.997 1.00 20.67 H new ATOM 794 N LEU A 50 0.413 7.126 3.416 1.00 6.51 N ATOM 795 CA LEU A 50 1.355 7.184 2.333 1.00 7.41 C ATOM 796 C LEU A 50 0.770 7.746 1.079 1.00 8.27 C ATOM 797 O LEU A 50 -0.481 7.589 0.851 1.00 8.34 O ATOM 798 CB LEU A 50 2.020 5.800 2.078 1.00 7.13 C ATOM 799 CG LEU A 50 2.485 4.981 3.343 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.818 3.532 2.887 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.586 5.571 4.203 1.00 9.11 C ATOM 0 H LEU A 50 -0.159 6.282 3.443 1.00 6.51 H new ATOM 0 HA LEU A 50 2.134 7.879 2.646 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.316 5.185 1.517 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.888 5.955 1.438 1.00 7.13 H new ATOM 0 HG LEU A 50 1.642 5.012 4.033 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.143 2.946 3.747 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.930 3.075 2.450 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.615 3.559 2.144 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.799 4.898 5.034 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.486 5.702 3.602 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.265 6.537 4.592 1.00 9.11 H new ATOM 813 N GLU A 51 1.570 8.514 0.251 1.00 9.43 N ATOM 814 CA GLU A 51 1.118 9.429 -0.766 1.00 11.90 C ATOM 815 C GLU A 51 1.686 9.019 -2.111 1.00 11.49 C ATOM 816 O GLU A 51 2.721 8.363 -2.274 1.00 9.88 O ATOM 817 CB GLU A 51 1.522 10.906 -0.556 1.00 16.56 C ATOM 818 CG GLU A 51 1.102 11.443 0.796 1.00 26.06 C ATOM 819 CD GLU A 51 1.493 12.896 1.082 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.078 13.496 0.174 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.234 13.419 2.181 1.00 32.13 O ATOM 0 H GLU A 51 2.588 8.479 0.312 1.00 9.43 H new ATOM 0 HA GLU A 51 0.031 9.372 -0.714 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.603 11.000 -0.659 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.072 11.516 -1.340 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.019 11.353 0.882 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.537 10.810 1.569 1.00 26.06 H new ATOM 828 N ASP A 52 0.857 9.239 -3.159 1.00 12.71 N ATOM 829 CA ASP A 52 0.703 8.451 -4.352 1.00 16.56 C ATOM 830 C ASP A 52 1.981 8.437 -5.172 1.00 15.83 C ATOM 831 O ASP A 52 2.421 7.352 -5.527 1.00 17.21 O ATOM 832 CB ASP A 52 -0.533 9.042 -5.118 1.00 21.05 C ATOM 833 CG ASP A 52 -1.787 8.971 -4.363 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.015 9.793 -3.411 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.694 8.171 -4.814 1.00 28.37 O ATOM 0 H ASP A 52 0.236 10.048 -3.168 1.00 12.71 H new ATOM 0 HA ASP A 52 0.518 7.401 -4.124 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.329 10.083 -5.369 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.656 8.506 -6.059 1.00 21.05 H new ATOM 840 N GLY A 53 2.543 9.594 -5.446 1.00 15.00 N ATOM 841 CA GLY A 53 3.743 9.823 -6.195 1.00 11.77 C ATOM 842 C GLY A 53 5.011 9.519 -5.419 1.00 11.10 C ATOM 843 O GLY A 53 6.112 9.527 -6.036 1.00 11.25 O ATOM 0 H GLY A 53 2.131 10.468 -5.119 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.722 9.209 -7.095 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.766 10.863 -6.519 1.00 11.77 H new ATOM 847 N ARG A 54 4.899 9.191 -4.077 1.00 8.53 N ATOM 848 CA ARG A 54 6.069 8.742 -3.291 1.00 9.05 C ATOM 849 C ARG A 54 6.393 7.324 -3.558 1.00 8.96 C ATOM 850 O ARG A 54 5.556 6.548 -4.004 1.00 11.60 O ATOM 851 CB ARG A 54 5.928 9.064 -1.784 1.00 7.97 C ATOM 852 CG ARG A 54 5.323 10.431 -1.496 1.00 9.62 C ATOM 853 CD ARG A 54 6.070 11.656 -1.998 1.00 12.20 C ATOM 854 NE ARG A 54 5.157 12.792 -1.554 1.00 18.23 N ATOM 855 CZ ARG A 54 5.512 13.832 -0.753 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.778 14.061 -0.479 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.629 14.626 -0.179 1.00 23.38 N ATOM 0 H ARG A 54 4.027 9.234 -3.550 1.00 8.53 H new ATOM 0 HA ARG A 54 6.928 9.321 -3.630 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.309 8.298 -1.316 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.912 9.008 -1.318 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.321 10.451 -1.924 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.210 10.527 -0.416 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.064 11.736 -1.557 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.201 11.638 -3.080 1.00 12.20 H new ATOM 0 HE ARG A 54 4.193 12.771 -1.887 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.501 13.456 -0.868 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.036 14.843 0.123 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.632 14.472 -0.328 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.943 15.394 0.414 1.00 23.38 H new ATOM 871 N THR A 55 7.698 6.986 -3.410 1.00 9.05 N ATOM 872 CA THR A 55 8.260 5.671 -3.661 1.00 9.03 C ATOM 873 C THR A 55 8.386 4.882 -2.384 1.00 8.15 C ATOM 874 O THR A 55 8.345 5.350 -1.238 1.00 5.91 O ATOM 875 CB THR A 55 9.704 5.713 -4.343 1.00 11.15 C ATOM 876 OG1 THR A 55 10.773 6.230 -3.570 1.00 11.95 O ATOM 877 CG2 THR A 55 9.531 6.468 -5.654 1.00 11.71 C ATOM 0 H THR A 55 8.399 7.659 -3.100 1.00 9.05 H new ATOM 0 HA THR A 55 7.562 5.197 -4.351 1.00 9.03 H new ATOM 0 HB THR A 55 10.029 4.682 -4.481 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.736 7.209 -3.574 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.490 6.529 -6.168 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.814 5.942 -6.285 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.164 7.474 -5.449 1.00 11.71 H new ATOM 885 N LEU A 56 8.591 3.546 -2.465 1.00 6.91 N ATOM 886 CA LEU A 56 8.726 2.639 -1.354 1.00 8.29 C ATOM 887 C LEU A 56 10.013 2.855 -0.624 1.00 8.05 C ATOM 888 O LEU A 56 10.097 2.964 0.639 1.00 10.17 O ATOM 889 CB LEU A 56 8.539 1.131 -1.875 1.00 6.60 C ATOM 890 CG LEU A 56 7.064 0.827 -2.326 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.956 -0.616 -2.818 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.096 0.952 -1.126 1.00 8.64 C ATOM 0 H LEU A 56 8.667 3.070 -3.364 1.00 6.91 H new ATOM 0 HA LEU A 56 7.943 2.837 -0.623 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.215 0.953 -2.711 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.823 0.439 -1.082 1.00 6.60 H new ATOM 0 HG LEU A 56 6.808 1.538 -3.112 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.931 -0.819 -3.129 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.627 -0.763 -3.664 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.232 -1.297 -2.013 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.079 0.738 -1.455 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.383 0.241 -0.351 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.142 1.964 -0.725 1.00 8.64 H new ATOM 904 N SER A 57 11.055 3.190 -1.489 1.00 8.92 N ATOM 905 CA SER A 57 12.365 3.578 -1.040 1.00 9.00 C ATOM 906 C SER A 57 12.377 4.813 -0.121 1.00 9.44 C ATOM 907 O SER A 57 12.998 4.778 0.942 1.00 10.91 O ATOM 908 CB SER A 57 13.397 3.689 -2.227 1.00 10.32 C ATOM 909 OG SER A 57 14.773 3.575 -1.969 1.00 13.59 O ATOM 0 H SER A 57 10.958 3.183 -2.504 1.00 8.92 H new ATOM 0 HA SER A 57 12.703 2.759 -0.404 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.138 2.921 -2.956 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.235 4.653 -2.709 1.00 10.32 H new ATOM 0 HG SER A 57 15.272 3.665 -2.808 1.00 13.59 H new ATOM 915 N ASP A 58 11.621 5.889 -0.470 1.00 9.11 N ATOM 916 CA ASP A 58 11.403 7.060 0.325 1.00 7.91 C ATOM 917 C ASP A 58 10.900 6.826 1.779 1.00 9.12 C ATOM 918 O ASP A 58 11.279 7.492 2.730 1.00 8.61 O ATOM 919 CB ASP A 58 10.360 8.033 -0.407 1.00 8.41 C ATOM 920 CG ASP A 58 10.842 8.720 -1.721 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.848 9.448 -1.709 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.102 8.601 -2.757 1.00 11.70 O ATOM 0 H ASP A 58 11.136 5.934 -1.366 1.00 9.11 H new ATOM 0 HA ASP A 58 12.397 7.497 0.419 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.462 7.459 -0.634 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.071 8.813 0.298 1.00 8.41 H new ATOM 927 N TYR A 59 10.017 5.791 2.089 1.00 7.97 N ATOM 928 CA TYR A 59 9.557 5.499 3.400 1.00 8.45 C ATOM 929 C TYR A 59 10.371 4.374 4.006 1.00 10.98 C ATOM 930 O TYR A 59 9.999 3.986 5.128 1.00 12.95 O ATOM 931 CB TYR A 59 8.189 4.883 3.190 1.00 7.94 C ATOM 932 CG TYR A 59 7.221 6.031 2.852 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.796 6.934 3.815 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.650 6.127 1.560 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.840 7.925 3.468 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.732 7.075 1.201 1.00 6.52 C ATOM 937 CZ TYR A 59 5.304 7.967 2.182 1.00 6.76 C ATOM 938 OH TYR A 59 4.344 8.929 1.790 1.00 7.63 O ATOM 0 H TYR A 59 9.636 5.163 1.381 1.00 7.97 H new ATOM 0 HA TYR A 59 9.596 6.391 4.026 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.216 4.152 2.382 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.863 4.356 4.086 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.189 6.884 4.820 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.958 5.409 0.814 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.527 8.650 4.204 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.352 7.130 0.192 1.00 6.52 H new ATOM 0 HH TYR A 59 4.793 9.776 1.587 1.00 7.63 H new ATOM 948 N ASN A 60 11.446 3.871 3.345 1.00 12.38 N ATOM 949 CA ASN A 60 12.307 2.875 3.865 1.00 13.94 C ATOM 950 C ASN A 60 11.534 1.577 3.924 1.00 14.16 C ATOM 951 O ASN A 60 11.499 0.947 5.002 1.00 14.26 O ATOM 952 CB ASN A 60 13.059 3.363 5.114 1.00 19.23 C ATOM 953 CG ASN A 60 13.725 4.712 4.779 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.392 5.790 5.239 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.746 4.542 3.906 1.00 24.09 N ATOM 0 H ASN A 60 11.711 4.183 2.411 1.00 12.38 H new ATOM 0 HA ASN A 60 13.154 2.657 3.215 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.371 3.476 5.952 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.810 2.633 5.415 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.290 5.347 3.594 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.971 3.609 3.560 1.00 24.09 H new ATOM 962 N ILE A 61 10.872 1.252 2.787 1.00 11.08 N ATOM 963 CA ILE A 61 10.141 -0.012 2.763 1.00 11.78 C ATOM 964 C ILE A 61 11.024 -1.026 2.062 1.00 13.74 C ATOM 965 O ILE A 61 11.350 -0.858 0.883 1.00 14.60 O ATOM 966 CB ILE A 61 8.786 0.141 2.031 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.891 0.982 2.988 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.057 -1.189 1.674 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.695 1.640 2.275 1.00 11.42 C ATOM 0 H ILE A 61 10.834 1.812 1.935 1.00 11.08 H new ATOM 0 HA ILE A 61 9.912 -0.338 3.777 1.00 11.78 H new ATOM 0 HB ILE A 61 8.974 0.606 1.063 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.521 0.340 3.788 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.498 1.757 3.456 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.120 -0.965 1.165 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.691 -1.787 1.020 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.849 -1.747 2.587 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.111 2.211 2.996 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.059 2.307 1.493 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.067 0.868 1.830 1.00 11.42 H new ATOM 981 N GLN A 62 11.380 -2.080 2.799 1.00 13.97 N ATOM 982 CA GLN A 62 12.361 -3.033 2.351 1.00 15.52 C ATOM 983 C GLN A 62 11.828 -4.365 2.054 1.00 13.94 C ATOM 984 O GLN A 62 10.682 -4.651 2.316 1.00 12.15 O ATOM 985 CB GLN A 62 13.453 -3.157 3.461 1.00 19.53 C ATOM 986 CG GLN A 62 13.998 -1.845 3.989 1.00 26.38 C ATOM 987 CD GLN A 62 14.534 -0.950 2.902 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.088 0.177 2.542 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.686 -1.370 2.462 1.00 32.71 N ATOM 0 H GLN A 62 10.990 -2.284 3.719 1.00 13.97 H new ATOM 0 HA GLN A 62 12.759 -2.658 1.408 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.035 -3.719 4.296 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.283 -3.743 3.066 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.209 -1.321 4.528 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.792 -2.050 4.707 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.043 -2.280 2.754 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.231 -0.789 1.825 1.00 32.71 H new ATOM 998 N LYS A 63 12.701 -5.292 1.577 1.00 11.73 N ATOM 999 CA LYS A 63 12.463 -6.706 1.501 1.00 11.97 C ATOM 1000 C LYS A 63 11.932 -7.295 2.846 1.00 10.41 C ATOM 1001 O LYS A 63 12.505 -7.110 3.920 1.00 9.59 O ATOM 1002 CB LYS A 63 13.747 -7.456 0.887 1.00 13.73 C ATOM 1003 CG LYS A 63 14.947 -7.378 1.800 1.00 16.98 C ATOM 1004 CD LYS A 63 16.263 -7.714 1.137 1.00 20.19 C ATOM 1005 CE LYS A 63 17.360 -7.798 2.129 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.749 -7.738 1.480 1.00 25.97 N ATOM 0 H LYS A 63 13.623 -5.033 1.226 1.00 11.73 H new ATOM 0 HA LYS A 63 11.646 -6.891 0.803 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.501 -8.502 0.703 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.997 -7.013 -0.077 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.009 -6.371 2.212 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.794 -8.057 2.639 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.174 -8.663 0.609 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.501 -6.955 0.392 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.262 -6.981 2.844 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.266 -8.727 2.691 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.480 -7.801 2.217 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.857 -8.532 0.817 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.853 -6.841 0.965 1.00 25.97 H new ATOM 1020 N GLU A 64 10.727 -7.958 2.741 1.00 10.04 N ATOM 1021 CA GLU A 64 10.152 -8.659 3.893 1.00 10.94 C ATOM 1022 C GLU A 64 9.608 -7.705 4.908 1.00 9.74 C ATOM 1023 O GLU A 64 9.927 -7.846 6.075 1.00 9.42 O ATOM 1024 CB GLU A 64 10.989 -9.819 4.540 1.00 18.31 C ATOM 1025 CG GLU A 64 11.478 -10.839 3.486 1.00 24.16 C ATOM 1026 CD GLU A 64 12.347 -11.954 4.058 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.244 -12.238 5.288 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.025 -12.578 3.223 1.00 31.72 O ATOM 0 H GLU A 64 10.169 -8.007 1.888 1.00 10.04 H new ATOM 0 HA GLU A 64 9.327 -9.213 3.445 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.848 -9.398 5.063 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.382 -10.332 5.286 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.612 -11.283 2.996 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.043 -10.310 2.718 1.00 24.16 H new ATOM 1035 N SER A 65 8.839 -6.698 4.512 1.00 6.85 N ATOM 1036 CA SER A 65 8.287 -5.716 5.373 1.00 6.90 C ATOM 1037 C SER A 65 6.822 -5.633 5.145 1.00 4.72 C ATOM 1038 O SER A 65 6.325 -5.941 4.078 1.00 3.91 O ATOM 1039 CB SER A 65 8.918 -4.344 5.108 1.00 7.28 C ATOM 1040 OG SER A 65 8.513 -3.344 5.985 1.00 10.56 O ATOM 0 H SER A 65 8.585 -6.557 3.534 1.00 6.85 H new ATOM 0 HA SER A 65 8.492 -6.001 6.405 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.002 -4.440 5.163 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.676 -4.037 4.090 1.00 7.28 H new ATOM 0 HG SER A 65 8.959 -2.503 5.751 1.00 10.56 H new ATOM 1046 N THR A 66 6.053 -5.343 6.246 1.00 4.48 N ATOM 1047 CA THR A 66 4.629 -5.330 6.419 1.00 3.80 C ATOM 1048 C THR A 66 4.119 -3.879 6.473 1.00 4.60 C ATOM 1049 O THR A 66 4.418 -3.053 7.332 1.00 5.33 O ATOM 1050 CB THR A 66 4.121 -5.936 7.706 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.730 -7.246 7.888 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.648 -6.280 7.716 1.00 3.40 C ATOM 0 H THR A 66 6.513 -5.086 7.120 1.00 4.48 H new ATOM 0 HA THR A 66 4.271 -5.917 5.574 1.00 3.80 H new ATOM 0 HB THR A 66 4.349 -5.180 8.457 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.406 -7.644 8.723 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.381 -6.708 8.682 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.062 -5.377 7.545 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.438 -7.003 6.928 1.00 3.40 H new ATOM 1060 N LEU A 67 3.285 -3.436 5.492 1.00 4.17 N ATOM 1061 CA LEU A 67 2.437 -2.230 5.457 1.00 3.85 C ATOM 1062 C LEU A 67 1.012 -2.580 5.924 1.00 3.80 C ATOM 1063 O LEU A 67 0.629 -3.760 6.110 1.00 5.54 O ATOM 1064 CB LEU A 67 2.291 -1.609 4.030 1.00 7.18 C ATOM 1065 CG LEU A 67 3.608 -1.381 3.231 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.202 -0.751 1.871 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.698 -0.572 3.931 1.00 11.66 C ATOM 0 H LEU A 67 3.187 -3.970 4.629 1.00 4.17 H new ATOM 0 HA LEU A 67 2.931 -1.509 6.109 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.643 -2.258 3.441 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.780 -0.651 4.126 1.00 7.18 H new ATOM 0 HG LEU A 67 4.092 -2.351 3.113 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.095 -0.571 1.272 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.539 -1.432 1.338 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.687 0.194 2.047 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.563 -0.482 3.274 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.318 0.422 4.168 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.992 -1.077 4.851 1.00 11.66 H new ATOM 1079 N HIS A 68 0.133 -1.580 6.190 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.208 -1.729 6.676 1.00 4.17 C ATOM 1081 C HIS A 68 -2.159 -1.091 5.735 1.00 5.32 C ATOM 1082 O HIS A 68 -1.934 0.021 5.262 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.387 -1.164 8.160 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.691 -1.532 8.775 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.960 -2.807 9.159 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.833 -0.833 9.010 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.191 -2.831 9.614 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.804 -1.667 9.539 1.00 16.30 N ATOM 0 H HIS A 68 0.384 -0.601 6.053 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.426 -2.796 6.730 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.578 -1.542 8.786 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.295 -0.078 8.142 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -2.322 -3.601 9.104 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -3.964 0.221 8.813 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -4.657 -3.720 10.012 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.269 -1.796 5.432 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.176 -1.321 4.408 1.00 3.97 C ATOM 1098 C LEU A 69 -5.479 -0.935 5.084 1.00 5.07 C ATOM 1099 O LEU A 69 -6.120 -1.860 5.625 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.375 -2.365 3.226 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.623 -2.174 2.324 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.607 -0.905 1.513 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.604 -3.357 1.305 1.00 9.96 C ATOM 0 H LEU A 69 -3.540 -2.672 5.878 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.748 -0.446 3.918 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.489 -2.332 2.591 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.419 -3.364 3.660 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.500 -2.134 2.970 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.513 -0.847 0.910 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.561 -0.046 2.182 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.735 -0.902 0.859 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.463 -3.277 0.639 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.686 -3.318 0.719 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.650 -4.303 1.845 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.843 0.353 5.148 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.240 0.742 5.568 1.00 6.26 C ATOM 1117 C VAL A 70 -7.982 1.244 4.311 1.00 9.22 C ATOM 1118 O VAL A 70 -7.382 1.736 3.388 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.341 1.681 6.686 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.966 0.986 7.945 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.450 2.961 6.582 1.00 8.54 C ATOM 0 H VAL A 70 -5.229 1.137 4.927 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.712 -0.149 5.981 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.377 2.019 6.667 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.040 1.682 8.781 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.640 0.146 8.112 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.942 0.620 7.867 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.605 3.584 7.463 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.401 2.670 6.523 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.722 3.522 5.688 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.326 1.152 4.304 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.137 1.544 3.096 1.00 16.06 C ATOM 1133 C LEU A 71 -11.110 2.742 3.276 1.00 18.09 C ATOM 1134 O LEU A 71 -11.715 2.976 4.289 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.023 0.267 2.761 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.181 -0.962 2.430 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.053 -2.228 2.118 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.168 -0.815 1.335 1.00 19.57 C ATOM 0 H LEU A 71 -9.879 0.819 5.094 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.434 1.862 2.326 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.667 0.043 3.611 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.676 0.493 1.918 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.620 -1.087 3.356 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.401 -3.071 1.890 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.668 -2.469 2.985 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.697 -2.025 1.262 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.639 -1.758 1.200 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.672 -0.546 0.407 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.456 -0.034 1.601 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.276 3.475 2.209 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.255 4.597 2.045 1.00 25.83 C ATOM 1152 C ARG A 72 -13.655 4.121 1.984 1.00 27.74 C ATOM 1153 O ARG A 72 -13.963 2.978 1.577 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.861 5.412 0.834 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.567 6.856 0.856 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.997 7.820 -0.184 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.875 9.037 -0.213 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.824 9.972 -1.164 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.882 10.047 -2.103 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.820 10.879 -1.097 1.00 35.02 N ATOM 0 H ARG A 72 -10.719 3.325 1.368 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.217 5.237 2.927 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.778 5.533 0.810 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.143 4.879 -0.074 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.636 6.733 0.681 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.454 7.293 1.848 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.973 8.094 0.070 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.966 7.348 -1.166 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.552 9.157 0.540 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.131 9.358 -2.128 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.912 10.794 -2.797 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -14.525 10.809 -0.363 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.869 11.635 -1.780 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.649 4.935 2.387 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.055 4.624 2.177 1.00 30.76 C ATOM 1176 C LEU A 73 -16.508 4.912 0.756 1.00 32.18 C ATOM 1177 O LEU A 73 -15.952 5.778 0.060 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.904 5.513 3.115 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.771 5.049 4.560 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.723 5.915 5.420 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.057 3.570 4.924 1.00 29.11 C ATOM 0 H LEU A 73 -14.489 5.822 2.865 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.184 3.560 2.378 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.583 6.551 3.030 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.950 5.477 2.811 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.703 5.158 4.750 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.652 5.607 6.463 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.441 6.964 5.331 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.748 5.784 5.072 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.912 3.424 5.994 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.085 3.323 4.660 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.375 2.922 4.374 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.541 4.260 0.286 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.107 4.409 -1.050 1.00 35.33 C ATOM 1195 C ARG A 74 -18.834 5.680 -1.267 1.00 36.22 C ATOM 1196 O ARG A 74 -18.573 6.354 -2.267 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.945 3.176 -1.504 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.184 1.807 -1.411 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.016 0.527 -1.691 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.979 -0.526 -1.689 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.566 -1.251 -2.737 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.945 -0.903 -4.000 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.872 -2.352 -2.607 1.00 41.93 N ATOM 0 H ARG A 74 -18.043 3.572 0.847 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.234 4.456 -1.701 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.846 3.119 -0.893 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.267 3.330 -2.534 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.351 1.832 -2.114 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.756 1.723 -0.412 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.771 0.356 -0.924 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.539 0.582 -2.646 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.530 -0.722 -0.794 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.543 -0.090 -4.147 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.630 -1.456 -4.797 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.624 -2.692 -1.678 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.579 -2.871 -3.435 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.654 6.076 -0.337 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.306 7.362 -0.334 1.00 36.07 C ATOM 1219 C GLY A 75 -19.391 8.475 0.194 1.00 36.16 C ATOM 1220 O GLY A 75 -19.790 9.604 0.017 1.00 36.26 O ATOM 0 H GLY A 75 -19.898 5.498 0.467 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.626 7.607 -1.347 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.204 7.310 0.281 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.263 8.106 0.812 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.383 9.068 1.488 1.00 36.19 C ATOM 1226 C GLY A 76 -16.006 9.177 0.867 1.00 36.20 C ATOM 1227 O GLY A 76 -14.907 9.098 1.500 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.049 9.520 -0.340 1.00 0.00 O ATOM 0 H GLY A 76 -17.936 7.141 0.858 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.856 10.050 1.475 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.278 8.778 2.533 1.00 36.19 H new TER 1232 GLY A 76