USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 936 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 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 108 ASN : amide:sc= -1.43! C(o=-1.4!,f=-3.3!) USER MOD Set 2.1: A 97 GLN : amide:sc= -0.657! C(o=-0.17!,f=-2.2!) USER MOD Set 2.2: A 100 THR OG1 : rot 155:sc= 0.488 USER MOD Set 3.1: A 44 LYS NZ :NH3+ 174:sc= 0.875 (180deg=-0.545!) USER MOD Set 3.2: A 81 THR OG1 : rot 31:sc= 0.899 USER MOD Set 4.1: A 75 ASN : amide:sc= -0.131 K(o=-1.1,f=-3.8) USER MOD Set 4.2: A 77 LYS NZ :NH3+ -167:sc= -0.986! (180deg=-1.69!) USER MOD Single : A 14 THR OG1 : rot 97:sc= 1.05 USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= -1.44! (180deg=-1.49!) USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= -0.389! (180deg=-0.582!) USER MOD Single : A 23 ASN : amide:sc= 1.14 K(o=1.1,f=-0.33) USER MOD Single : A 27 TYR OH : rot 75:sc= -0.707 USER MOD Single : A 29 CYS SG : rot -83:sc= 0.692 USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.05) USER MOD Single : A 37 HIS : no HE2:sc= 0.963 K(o=0.96,f=-3!) USER MOD Single : A 40 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.28) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -2.46! (180deg=-2.61!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -21:sc= 0.279 USER MOD Single : A 56 SER OG : rot -71:sc= 2.1 USER MOD Single : A 57 CYS SG : rot 170:sc= -0.714! USER MOD Single : A 59 THR OG1 : rot -160:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 61 SER OG : rot 180:sc= 0.00999 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0551 (180deg=-0.436) USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= 0.937 (180deg=0.794) USER MOD Single : A 71 TYR OH : rot 76:sc= -1.32 USER MOD Single : A 73 GLN : amide:sc= -2.03 K(o=-2,f=-6.4!) USER MOD Single : A 85 SER OG : rot 126:sc= 1.1 USER MOD Single : A 90 LYS NZ :NH3+ 169:sc= -0.142 (180deg=-0.587) USER MOD Single : A 91 THR OG1 : rot 77:sc= 0.0344 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.468 F(o=-2,f=-0.47) USER MOD Single : A 93 ASN : amide:sc= -0.225 K(o=-0.22,f=-2.7!) USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= 2.11 (180deg=1.68) USER MOD Single : A 110 LYS NZ :NH3+ -152:sc= 0.533 (180deg=-1.3!) USER MOD Single : A 113 HIS : no HD1:sc= 0.808 K(o=0.81,f=-5.4!) USER MOD Single : A 115 LYS NZ :NH3+ 159:sc= -2.03! (180deg=-4.43!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 10 -13.984 7.134 5.465 1.00 0.00 N ATOM 2 CA GLU A 10 -14.107 5.762 4.904 1.00 0.00 C ATOM 3 C GLU A 10 -14.515 4.733 5.965 1.00 0.00 C ATOM 4 O GLU A 10 -14.898 3.630 5.643 1.00 0.00 O ATOM 5 CB GLU A 10 -12.851 5.316 4.185 1.00 0.00 C ATOM 6 CG GLU A 10 -11.628 5.349 5.032 1.00 0.00 C ATOM 7 CD GLU A 10 -10.439 4.742 4.330 1.00 0.00 C ATOM 8 OE1 GLU A 10 -9.711 5.442 3.624 1.00 0.00 O ATOM 9 OE2 GLU A 10 -10.216 3.531 4.459 1.00 0.00 O1- ATOM 0 HA GLU A 10 -14.908 5.816 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.997 4.301 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.696 5.954 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.402 6.380 5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.815 4.810 5.961 1.00 0.00 H new ATOM 16 N GLU A 11 -14.524 5.197 7.190 1.00 0.00 N ATOM 17 CA GLU A 11 -14.598 4.475 8.473 1.00 0.00 C ATOM 18 C GLU A 11 -15.501 3.225 8.435 1.00 0.00 C ATOM 19 O GLU A 11 -15.007 2.116 8.637 1.00 0.00 O ATOM 20 CB GLU A 11 -15.125 5.465 9.568 1.00 0.00 C ATOM 21 CG GLU A 11 -14.337 6.809 9.737 1.00 0.00 C ATOM 22 CD GLU A 11 -14.273 7.635 8.450 1.00 0.00 C ATOM 23 OE1 GLU A 11 -15.315 7.829 7.792 1.00 0.00 O1- ATOM 24 OE2 GLU A 11 -13.174 7.870 7.949 1.00 0.00 O ATOM 0 H GLU A 11 -14.475 6.203 7.349 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.594 4.117 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.163 5.705 9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.122 4.946 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.808 7.403 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.323 6.589 10.071 1.00 0.00 H new ATOM 31 N ASP A 12 -16.785 3.407 8.160 1.00 0.00 N ATOM 32 CA ASP A 12 -17.752 2.272 8.061 1.00 0.00 C ATOM 33 C ASP A 12 -17.339 1.258 6.993 1.00 0.00 C ATOM 34 O ASP A 12 -17.269 0.057 7.238 1.00 0.00 O ATOM 35 CB ASP A 12 -19.177 2.810 7.743 1.00 0.00 C ATOM 36 CG ASP A 12 -20.127 1.741 7.167 1.00 0.00 C ATOM 37 OD1 ASP A 12 -20.674 0.929 7.930 1.00 0.00 O1- ATOM 38 OD2 ASP A 12 -20.297 1.682 5.917 1.00 0.00 O ATOM 0 H ASP A 12 -17.202 4.324 7.998 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.754 1.762 9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.614 3.219 8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.095 3.632 7.032 1.00 0.00 H new ATOM 43 N LEU A 13 -16.951 1.785 5.869 1.00 0.00 N ATOM 44 CA LEU A 13 -16.727 1.037 4.658 1.00 0.00 C ATOM 45 C LEU A 13 -15.478 0.179 4.724 1.00 0.00 C ATOM 46 O LEU A 13 -15.464 -0.907 4.165 1.00 0.00 O ATOM 47 CB LEU A 13 -16.737 1.991 3.389 1.00 0.00 C ATOM 48 CG LEU A 13 -18.014 2.881 3.161 1.00 0.00 C ATOM 49 CD1 LEU A 13 -18.191 3.956 4.225 1.00 0.00 C ATOM 50 CD2 LEU A 13 -17.974 3.545 1.817 1.00 0.00 C ATOM 0 H LEU A 13 -16.774 2.784 5.762 1.00 0.00 H new ATOM 0 HA LEU A 13 -17.559 0.340 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -15.874 2.653 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -16.595 1.373 2.502 1.00 0.00 H new ATOM 0 HG LEU A 13 -18.861 2.197 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -19.089 4.535 4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -18.287 3.487 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -17.324 4.617 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -18.868 4.154 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -17.090 4.179 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -17.934 2.785 1.037 1.00 0.00 H new ATOM 62 N THR A 14 -14.524 0.621 5.519 1.00 0.00 N ATOM 63 CA THR A 14 -13.153 0.104 5.618 1.00 0.00 C ATOM 64 C THR A 14 -12.904 -1.437 5.545 1.00 0.00 C ATOM 65 O THR A 14 -11.802 -1.837 5.197 1.00 0.00 O ATOM 66 CB THR A 14 -12.378 0.729 6.758 1.00 0.00 C ATOM 67 OG1 THR A 14 -12.870 2.054 6.969 1.00 0.00 O ATOM 68 CG2 THR A 14 -10.940 0.823 6.322 1.00 0.00 C ATOM 0 H THR A 14 -14.685 1.400 6.158 1.00 0.00 H new ATOM 0 HA THR A 14 -12.759 0.436 4.658 1.00 0.00 H new ATOM 0 HB THR A 14 -12.479 0.141 7.670 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.532 2.046 7.692 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.346 1.270 7.119 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.560 -0.175 6.103 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.871 1.442 5.428 1.00 0.00 H new ATOM 76 N GLU A 15 -13.872 -2.292 5.914 1.00 0.00 N ATOM 77 CA GLU A 15 -13.717 -3.790 5.785 1.00 0.00 C ATOM 78 C GLU A 15 -13.144 -4.166 4.390 1.00 0.00 C ATOM 79 O GLU A 15 -12.419 -5.134 4.224 1.00 0.00 O ATOM 80 CB GLU A 15 -15.077 -4.455 5.904 1.00 0.00 C ATOM 81 CG GLU A 15 -15.782 -4.252 7.219 1.00 0.00 C ATOM 82 CD GLU A 15 -17.166 -4.821 7.171 1.00 0.00 C ATOM 83 OE1 GLU A 15 -17.331 -6.053 7.148 1.00 0.00 O1- ATOM 84 OE2 GLU A 15 -18.144 -4.042 7.080 1.00 0.00 O ATOM 0 H GLU A 15 -14.768 -1.998 6.302 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.041 -4.124 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.717 -4.079 5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.955 -5.525 5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.215 -4.729 8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.829 -3.188 7.452 1.00 0.00 H new ATOM 91 N VAL A 16 -13.499 -3.344 3.443 1.00 0.00 N ATOM 92 CA VAL A 16 -13.110 -3.391 2.050 1.00 0.00 C ATOM 93 C VAL A 16 -11.625 -3.115 1.767 1.00 0.00 C ATOM 94 O VAL A 16 -11.152 -3.384 0.680 1.00 0.00 O ATOM 95 CB VAL A 16 -13.958 -2.499 1.209 1.00 0.00 C ATOM 96 CG1 VAL A 16 -15.402 -3.008 1.228 1.00 0.00 C ATOM 97 CG2 VAL A 16 -13.862 -1.141 1.769 1.00 0.00 C ATOM 0 H VAL A 16 -14.119 -2.557 3.635 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.275 -4.433 1.775 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.623 -2.490 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.025 -2.358 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.435 -4.023 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.775 -3.006 2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.472 -0.459 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.219 -1.146 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.823 -0.811 1.747 1.00 0.00 H new ATOM 107 N LYS A 17 -10.966 -2.410 2.688 1.00 0.00 N ATOM 108 CA LYS A 17 -9.587 -1.898 2.537 1.00 0.00 C ATOM 109 C LYS A 17 -8.624 -2.883 1.839 1.00 0.00 C ATOM 110 O LYS A 17 -7.797 -2.452 1.057 1.00 0.00 O ATOM 111 CB LYS A 17 -9.008 -1.503 3.900 1.00 0.00 C ATOM 112 CG LYS A 17 -7.892 -0.455 3.852 1.00 0.00 C ATOM 113 CD LYS A 17 -8.445 0.886 3.370 1.00 0.00 C ATOM 114 CE LYS A 17 -7.426 2.014 3.451 1.00 0.00 C ATOM 115 NZ LYS A 17 -8.030 3.314 3.063 1.00 0.00 N1+ ATOM 0 H LYS A 17 -11.381 -2.168 3.588 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.670 -1.025 1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.816 -1.122 4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.623 -2.399 4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.450 -0.339 4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.098 -0.790 3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.784 0.783 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.318 1.149 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.034 2.081 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.582 1.793 2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.281 4.029 2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.530 3.208 2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.702 3.617 3.796 1.00 0.00 H new ATOM 129 N LYS A 18 -8.743 -4.189 2.104 1.00 0.00 N ATOM 130 CA LYS A 18 -7.857 -5.154 1.455 1.00 0.00 C ATOM 131 C LYS A 18 -8.308 -5.558 0.067 1.00 0.00 C ATOM 132 O LYS A 18 -7.489 -5.954 -0.755 1.00 0.00 O ATOM 133 CB LYS A 18 -7.509 -6.356 2.318 1.00 0.00 C ATOM 134 CG LYS A 18 -6.067 -6.282 2.786 1.00 0.00 C ATOM 135 CD LYS A 18 -5.629 -7.512 3.538 1.00 0.00 C ATOM 136 CE LYS A 18 -4.140 -7.439 3.828 1.00 0.00 C ATOM 137 NZ LYS A 18 -3.680 -8.597 4.604 1.00 0.00 N1+ ATOM 0 H LYS A 18 -9.426 -4.592 2.746 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.925 -4.605 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.175 -6.396 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.666 -7.274 1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.417 -6.140 1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.943 -5.408 3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.186 -7.596 4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.851 -8.405 2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.589 -7.388 2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.921 -6.523 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.648 -8.546 4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.138 -8.593 5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.927 -9.473 4.100 1.00 0.00 H new ATOM 151 N ASP A 19 -9.580 -5.421 -0.203 1.00 0.00 N ATOM 152 CA ASP A 19 -10.127 -5.690 -1.527 1.00 0.00 C ATOM 153 C ASP A 19 -9.667 -4.558 -2.436 1.00 0.00 C ATOM 154 O ASP A 19 -9.203 -4.769 -3.553 1.00 0.00 O ATOM 155 CB ASP A 19 -11.673 -5.705 -1.491 1.00 0.00 C ATOM 156 CG ASP A 19 -12.267 -6.638 -0.448 1.00 0.00 C ATOM 157 OD1 ASP A 19 -12.345 -6.245 0.731 1.00 0.00 O1- ATOM 158 OD2 ASP A 19 -12.702 -7.761 -0.789 1.00 0.00 O ATOM 0 H ASP A 19 -10.274 -5.120 0.482 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.786 -6.663 -1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.030 -4.693 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -12.045 -5.995 -2.474 1.00 0.00 H new ATOM 163 N ALA A 20 -9.753 -3.340 -1.899 1.00 0.00 N ATOM 164 CA ALA A 20 -9.314 -2.117 -2.592 1.00 0.00 C ATOM 165 C ALA A 20 -7.800 -2.094 -2.717 1.00 0.00 C ATOM 166 O ALA A 20 -7.240 -1.509 -3.646 1.00 0.00 O ATOM 167 CB ALA A 20 -9.742 -0.890 -1.797 1.00 0.00 C ATOM 0 H ALA A 20 -10.130 -3.168 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.768 -2.106 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.414 0.011 -2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.828 -0.879 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.291 -0.923 -0.805 1.00 0.00 H new ATOM 173 N LEU A 21 -7.154 -2.750 -1.774 1.00 0.00 N ATOM 174 CA LEU A 21 -5.710 -2.768 -1.660 1.00 0.00 C ATOM 175 C LEU A 21 -5.097 -3.379 -2.916 1.00 0.00 C ATOM 176 O LEU A 21 -4.040 -2.963 -3.327 1.00 0.00 O ATOM 177 CB LEU A 21 -5.309 -3.571 -0.406 1.00 0.00 C ATOM 178 CG LEU A 21 -3.960 -3.284 0.290 1.00 0.00 C ATOM 179 CD1 LEU A 21 -2.763 -3.437 -0.629 1.00 0.00 C ATOM 180 CD2 LEU A 21 -3.985 -1.921 0.966 1.00 0.00 C ATOM 0 H LEU A 21 -7.626 -3.295 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.335 -1.750 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.095 -3.429 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.316 -4.626 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.834 -4.048 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.849 -3.221 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.724 -4.458 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.854 -2.742 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.026 -1.738 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.168 -1.148 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.779 -1.900 1.713 1.00 0.00 H new ATOM 192 N GLU A 22 -5.787 -4.326 -3.540 1.00 0.00 N ATOM 193 CA GLU A 22 -5.256 -4.962 -4.737 1.00 0.00 C ATOM 194 C GLU A 22 -5.062 -3.926 -5.861 1.00 0.00 C ATOM 195 O GLU A 22 -3.963 -3.775 -6.400 1.00 0.00 O ATOM 196 CB GLU A 22 -6.148 -6.125 -5.197 1.00 0.00 C ATOM 197 CG GLU A 22 -5.538 -6.942 -6.333 1.00 0.00 C ATOM 198 CD GLU A 22 -4.201 -7.559 -5.949 1.00 0.00 C ATOM 199 OE1 GLU A 22 -3.217 -6.810 -5.761 1.00 0.00 O ATOM 200 OE2 GLU A 22 -4.103 -8.794 -5.837 1.00 0.00 O1- ATOM 0 H GLU A 22 -6.701 -4.666 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.280 -5.381 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.342 -6.782 -4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.111 -5.729 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.231 -7.733 -6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.403 -6.303 -7.205 1.00 0.00 H new ATOM 207 N ASN A 23 -6.114 -3.150 -6.142 1.00 0.00 N ATOM 208 CA ASN A 23 -6.049 -2.094 -7.177 1.00 0.00 C ATOM 209 C ASN A 23 -4.989 -1.089 -6.784 1.00 0.00 C ATOM 210 O ASN A 23 -4.233 -0.587 -7.612 1.00 0.00 O ATOM 211 CB ASN A 23 -7.379 -1.328 -7.310 1.00 0.00 C ATOM 212 CG ASN A 23 -8.585 -2.185 -7.626 1.00 0.00 C ATOM 213 OD1 ASN A 23 -8.483 -3.237 -8.250 1.00 0.00 O ATOM 214 ND2 ASN A 23 -9.738 -1.727 -7.220 1.00 0.00 N ATOM 0 H ASN A 23 -7.018 -3.226 -5.675 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.825 -2.581 -8.126 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.567 -0.793 -6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.271 -0.577 -8.093 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.592 -2.248 -7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.785 -0.849 -6.704 1.00 0.00 H new ATOM 221 N LEU A 24 -4.934 -0.837 -5.501 1.00 0.00 N ATOM 222 CA LEU A 24 -4.034 0.104 -4.893 1.00 0.00 C ATOM 223 C LEU A 24 -2.573 -0.305 -5.059 1.00 0.00 C ATOM 224 O LEU A 24 -1.769 0.476 -5.528 1.00 0.00 O ATOM 225 CB LEU A 24 -4.444 0.262 -3.444 1.00 0.00 C ATOM 226 CG LEU A 24 -3.662 1.217 -2.585 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.616 1.889 -1.655 1.00 0.00 C ATOM 228 CD2 LEU A 24 -2.594 0.481 -1.798 1.00 0.00 C ATOM 0 H LEU A 24 -5.541 -1.302 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.105 1.069 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.488 0.576 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.398 -0.721 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.161 1.954 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.073 2.588 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.366 2.430 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.107 1.140 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.041 1.191 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.064 -0.265 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.909 -0.013 -2.488 1.00 0.00 H new ATOM 240 N ARG A 25 -2.267 -1.537 -4.703 1.00 0.00 N ATOM 241 CA ARG A 25 -0.931 -2.143 -4.841 1.00 0.00 C ATOM 242 C ARG A 25 -0.453 -2.049 -6.306 1.00 0.00 C ATOM 243 O ARG A 25 0.744 -1.977 -6.575 1.00 0.00 O ATOM 244 CB ARG A 25 -1.031 -3.607 -4.326 1.00 0.00 C ATOM 245 CG ARG A 25 0.032 -4.598 -4.783 1.00 0.00 C ATOM 246 CD ARG A 25 -0.398 -6.002 -4.362 1.00 0.00 C ATOM 247 NE ARG A 25 0.477 -7.080 -4.857 1.00 0.00 N ATOM 248 CZ ARG A 25 0.028 -8.290 -5.257 1.00 0.00 C ATOM 249 NH1 ARG A 25 -1.262 -8.490 -5.478 1.00 0.00 N1+ ATOM 250 NH2 ARG A 25 0.887 -9.261 -5.510 1.00 0.00 N ATOM 0 H ARG A 25 -2.952 -2.174 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.184 -1.613 -4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.016 -3.580 -3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.004 -4.000 -4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.155 -4.549 -5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.997 -4.349 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.431 -6.048 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.412 -6.181 -4.719 1.00 0.00 H new ATOM 0 HE ARG A 25 1.480 -6.902 -4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.926 -7.727 -5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.592 -9.407 -5.780 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.888 -9.097 -5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.549 -10.175 -5.812 1.00 0.00 H new ATOM 264 N VAL A 26 -1.406 -2.008 -7.227 1.00 0.00 N ATOM 265 CA VAL A 26 -1.113 -1.825 -8.630 1.00 0.00 C ATOM 266 C VAL A 26 -0.957 -0.320 -8.984 1.00 0.00 C ATOM 267 O VAL A 26 0.114 0.104 -9.414 1.00 0.00 O ATOM 268 CB VAL A 26 -2.202 -2.474 -9.538 1.00 0.00 C ATOM 269 CG1 VAL A 26 -1.883 -2.269 -11.017 1.00 0.00 C ATOM 270 CG2 VAL A 26 -2.338 -3.961 -9.235 1.00 0.00 C ATOM 0 H VAL A 26 -2.400 -2.101 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.165 -2.329 -8.820 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.150 -1.981 -9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.660 -2.733 -11.625 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.840 -1.202 -11.235 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.921 -2.726 -11.248 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.103 -4.395 -9.879 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.385 -4.458 -9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.623 -4.095 -8.192 1.00 0.00 H new ATOM 280 N TYR A 27 -2.009 0.498 -8.757 1.00 0.00 N ATOM 281 CA TYR A 27 -1.979 1.920 -9.182 1.00 0.00 C ATOM 282 C TYR A 27 -0.953 2.752 -8.431 1.00 0.00 C ATOM 283 O TYR A 27 -0.484 3.781 -8.930 1.00 0.00 O ATOM 284 CB TYR A 27 -3.383 2.630 -9.159 1.00 0.00 C ATOM 285 CG TYR A 27 -4.096 2.821 -7.793 1.00 0.00 C ATOM 286 CD1 TYR A 27 -3.438 3.324 -6.664 1.00 0.00 C ATOM 287 CD2 TYR A 27 -5.445 2.530 -7.660 1.00 0.00 C ATOM 288 CE1 TYR A 27 -4.086 3.524 -5.473 1.00 0.00 C ATOM 289 CE2 TYR A 27 -6.103 2.727 -6.460 1.00 0.00 C ATOM 290 CZ TYR A 27 -5.419 3.224 -5.374 1.00 0.00 C ATOM 291 OH TYR A 27 -6.076 3.429 -4.192 1.00 0.00 O ATOM 0 H TYR A 27 -2.871 0.210 -8.294 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.668 1.866 -10.225 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.264 3.615 -9.611 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.052 2.062 -9.805 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.387 3.562 -6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.991 2.143 -8.508 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.551 3.915 -4.620 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.153 2.491 -6.375 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.236 4.388 -4.069 1.00 0.00 H new ATOM 301 N LEU A 28 -0.620 2.329 -7.238 1.00 0.00 N ATOM 302 CA LEU A 28 0.293 3.063 -6.420 1.00 0.00 C ATOM 303 C LEU A 28 1.728 2.914 -6.858 1.00 0.00 C ATOM 304 O LEU A 28 2.554 3.706 -6.469 1.00 0.00 O ATOM 305 CB LEU A 28 0.107 2.795 -4.912 1.00 0.00 C ATOM 306 CG LEU A 28 -0.970 3.546 -4.167 1.00 0.00 C ATOM 307 CD1 LEU A 28 -0.755 3.452 -2.669 1.00 0.00 C ATOM 308 CD2 LEU A 28 -1.077 4.971 -4.615 1.00 0.00 C ATOM 0 H LEU A 28 -0.975 1.472 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 28 0.037 4.111 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.087 1.730 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.057 3.005 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.921 3.070 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.543 4.001 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.781 2.406 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.213 3.882 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.864 5.471 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.128 5.479 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.316 5.001 -5.678 1.00 0.00 H new ATOM 320 N CYS A 29 2.005 1.949 -7.715 1.00 0.00 N ATOM 321 CA CYS A 29 3.355 1.746 -8.229 1.00 0.00 C ATOM 322 C CYS A 29 3.874 3.031 -8.909 1.00 0.00 C ATOM 323 O CYS A 29 5.013 3.449 -8.690 1.00 0.00 O ATOM 324 CB CYS A 29 3.370 0.558 -9.209 1.00 0.00 C ATOM 325 SG CYS A 29 4.965 0.233 -9.999 1.00 0.00 S ATOM 0 H CYS A 29 1.314 1.290 -8.073 1.00 0.00 H new ATOM 0 HA CYS A 29 4.021 1.516 -7.397 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.058 -0.339 -8.673 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.628 0.739 -9.986 1.00 0.00 H new ATOM 0 HG CYS A 29 5.110 1.019 -11.024 1.00 0.00 H new ATOM 331 N GLU A 30 3.000 3.680 -9.674 1.00 0.00 N ATOM 332 CA GLU A 30 3.367 4.892 -10.395 1.00 0.00 C ATOM 333 C GLU A 30 3.080 6.155 -9.548 1.00 0.00 C ATOM 334 O GLU A 30 3.287 7.279 -9.999 1.00 0.00 O ATOM 335 CB GLU A 30 2.609 4.983 -11.731 1.00 0.00 C ATOM 336 CG GLU A 30 2.634 3.709 -12.583 1.00 0.00 C ATOM 337 CD GLU A 30 4.021 3.131 -12.797 1.00 0.00 C ATOM 338 OE1 GLU A 30 4.805 3.661 -13.612 1.00 0.00 O1- ATOM 339 OE2 GLU A 30 4.342 2.108 -12.164 1.00 0.00 O ATOM 0 H GLU A 30 2.033 3.385 -9.810 1.00 0.00 H new ATOM 0 HA GLU A 30 4.437 4.842 -10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.571 5.243 -11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.032 5.800 -12.315 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.008 2.955 -12.107 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.189 3.926 -13.554 1.00 0.00 H new ATOM 346 N LYS A 31 2.578 5.970 -8.335 1.00 0.00 N ATOM 347 CA LYS A 31 2.235 7.114 -7.482 1.00 0.00 C ATOM 348 C LYS A 31 3.141 7.227 -6.269 1.00 0.00 C ATOM 349 O LYS A 31 3.423 8.329 -5.795 1.00 0.00 O ATOM 350 CB LYS A 31 0.783 7.034 -7.010 1.00 0.00 C ATOM 351 CG LYS A 31 -0.267 7.393 -8.046 1.00 0.00 C ATOM 352 CD LYS A 31 -1.667 7.202 -7.472 1.00 0.00 C ATOM 353 CE LYS A 31 -2.740 7.795 -8.365 1.00 0.00 C ATOM 354 NZ LYS A 31 -2.656 9.278 -8.411 1.00 0.00 N1+ ATOM 0 H LYS A 31 2.399 5.056 -7.919 1.00 0.00 H new ATOM 0 HA LYS A 31 2.375 8.002 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.590 6.020 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.662 7.696 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.135 8.427 -8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.142 6.770 -8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.859 6.138 -7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.720 7.666 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.638 7.393 -9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.723 7.497 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.514 9.661 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.573 9.651 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.822 9.561 -8.964 1.00 0.00 H new ATOM 368 N ILE A 32 3.604 6.120 -5.780 1.00 0.00 N ATOM 369 CA ILE A 32 4.473 6.120 -4.652 1.00 0.00 C ATOM 370 C ILE A 32 5.711 5.340 -4.961 1.00 0.00 C ATOM 371 O ILE A 32 5.721 4.108 -4.964 1.00 0.00 O ATOM 372 CB ILE A 32 3.793 5.595 -3.317 1.00 0.00 C ATOM 373 CG1 ILE A 32 4.828 5.438 -2.171 1.00 0.00 C ATOM 374 CG2 ILE A 32 3.021 4.303 -3.523 1.00 0.00 C ATOM 375 CD1 ILE A 32 4.265 4.786 -0.917 1.00 0.00 C ATOM 0 H ILE A 32 3.390 5.195 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 32 4.731 7.161 -4.459 1.00 0.00 H new ATOM 0 HB ILE A 32 3.072 6.358 -3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.668 4.844 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.221 6.421 -1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.577 3.990 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.233 4.463 -4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.698 3.527 -3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.048 4.712 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.445 5.390 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.898 3.788 -1.159 1.00 0.00 H new ATOM 387 N ILE A 33 6.756 6.038 -5.298 1.00 0.00 N ATOM 388 CA ILE A 33 7.986 5.356 -5.419 1.00 0.00 C ATOM 389 C ILE A 33 8.455 5.167 -3.997 1.00 0.00 C ATOM 390 O ILE A 33 8.595 6.164 -3.255 1.00 0.00 O ATOM 391 CB ILE A 33 9.040 6.207 -6.202 1.00 0.00 C ATOM 392 CG1 ILE A 33 8.502 6.634 -7.591 1.00 0.00 C ATOM 393 CG2 ILE A 33 10.362 5.454 -6.341 1.00 0.00 C ATOM 394 CD1 ILE A 33 8.140 5.483 -8.521 1.00 0.00 C ATOM 0 H ILE A 33 6.774 7.040 -5.485 1.00 0.00 H new ATOM 0 HA ILE A 33 7.869 4.421 -5.966 1.00 0.00 H new ATOM 0 HB ILE A 33 9.225 7.112 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.619 7.256 -7.447 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.253 7.255 -8.080 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.075 6.069 -6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.760 5.232 -5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.195 4.523 -6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.774 5.881 -9.467 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.023 4.870 -8.703 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.364 4.873 -8.059 1.00 0.00 H new ATOM 406 N ALA A 34 8.731 3.947 -3.625 1.00 0.00 N ATOM 407 CA ALA A 34 9.176 3.650 -2.284 1.00 0.00 C ATOM 408 C ALA A 34 10.598 3.983 -2.174 1.00 0.00 C ATOM 409 O ALA A 34 10.987 4.734 -1.313 1.00 0.00 O ATOM 410 CB ALA A 34 8.996 2.197 -1.973 1.00 0.00 C ATOM 0 H ALA A 34 8.656 3.133 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 34 8.585 4.236 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.338 1.997 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.942 1.934 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.577 1.600 -2.676 1.00 0.00 H new ATOM 416 N GLU A 35 11.321 3.489 -3.152 1.00 0.00 N ATOM 417 CA GLU A 35 12.752 3.569 -3.283 1.00 0.00 C ATOM 418 C GLU A 35 13.372 4.860 -2.707 1.00 0.00 C ATOM 419 O GLU A 35 13.988 4.811 -1.680 1.00 0.00 O ATOM 420 CB GLU A 35 13.092 3.344 -4.759 1.00 0.00 C ATOM 421 CG GLU A 35 14.576 3.515 -5.137 1.00 0.00 C ATOM 422 CD GLU A 35 15.553 2.936 -4.128 1.00 0.00 C ATOM 423 OE1 GLU A 35 15.588 1.721 -3.948 1.00 0.00 O1- ATOM 424 OE2 GLU A 35 16.298 3.710 -3.517 1.00 0.00 O ATOM 0 H GLU A 35 10.892 2.987 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 35 13.207 2.791 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.780 2.337 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.501 4.037 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.749 3.042 -6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.787 4.577 -5.260 1.00 0.00 H new ATOM 431 N ARG A 36 13.156 6.003 -3.320 1.00 0.00 N ATOM 432 CA ARG A 36 13.822 7.196 -2.805 1.00 0.00 C ATOM 433 C ARG A 36 13.025 7.964 -1.750 1.00 0.00 C ATOM 434 O ARG A 36 13.545 8.868 -1.123 1.00 0.00 O ATOM 435 CB ARG A 36 14.299 8.140 -3.918 1.00 0.00 C ATOM 436 CG ARG A 36 15.362 7.557 -4.870 1.00 0.00 C ATOM 437 CD ARG A 36 16.452 6.758 -4.131 1.00 0.00 C ATOM 438 NE ARG A 36 16.966 7.436 -2.929 1.00 0.00 N ATOM 439 CZ ARG A 36 17.089 6.820 -1.728 1.00 0.00 C ATOM 440 NH1 ARG A 36 16.911 5.505 -1.627 1.00 0.00 N1+ ATOM 441 NH2 ARG A 36 17.407 7.521 -0.641 1.00 0.00 N ATOM 0 H ARG A 36 12.558 6.139 -4.135 1.00 0.00 H new ATOM 0 HA ARG A 36 14.700 6.801 -2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.435 8.444 -4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.703 9.042 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.874 6.909 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.828 8.369 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.048 5.787 -3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 36 17.280 6.571 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 36 17.242 8.415 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.681 4.956 -2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.005 5.046 -0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.559 8.527 -0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.498 7.052 0.260 1.00 0.00 H new ATOM 455 N HIS A 37 11.757 7.657 -1.603 1.00 0.00 N ATOM 456 CA HIS A 37 10.933 8.384 -0.626 1.00 0.00 C ATOM 457 C HIS A 37 10.891 7.691 0.724 1.00 0.00 C ATOM 458 O HIS A 37 11.137 8.284 1.776 1.00 0.00 O ATOM 459 CB HIS A 37 9.496 8.591 -1.124 1.00 0.00 C ATOM 460 CG HIS A 37 9.371 9.407 -2.367 1.00 0.00 C ATOM 461 ND1 HIS A 37 8.799 8.919 -3.520 1.00 0.00 N ATOM 462 CD2 HIS A 37 9.707 10.694 -2.629 1.00 0.00 C ATOM 463 CE1 HIS A 37 8.785 9.864 -4.441 1.00 0.00 C ATOM 464 NE2 HIS A 37 9.330 10.952 -3.928 1.00 0.00 N ATOM 0 H HIS A 37 11.270 6.930 -2.126 1.00 0.00 H new ATOM 0 HA HIS A 37 11.413 9.355 -0.507 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.045 7.615 -1.301 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.919 9.070 -0.333 1.00 0.00 H new ATOM 0 HD1 HIS A 37 8.441 7.972 -3.644 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.181 11.386 -1.948 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.395 9.765 -5.443 1.00 0.00 H new ATOM 473 N PHE A 38 10.536 6.444 0.665 1.00 0.00 N ATOM 474 CA PHE A 38 10.237 5.656 1.814 1.00 0.00 C ATOM 475 C PHE A 38 11.455 4.910 2.353 1.00 0.00 C ATOM 476 O PHE A 38 11.361 4.347 3.428 1.00 0.00 O ATOM 477 CB PHE A 38 9.036 4.719 1.554 1.00 0.00 C ATOM 478 CG PHE A 38 8.337 4.287 2.821 1.00 0.00 C ATOM 479 CD1 PHE A 38 7.619 5.215 3.561 1.00 0.00 C ATOM 480 CD2 PHE A 38 8.397 2.982 3.279 1.00 0.00 C ATOM 481 CE1 PHE A 38 6.981 4.855 4.730 1.00 0.00 C ATOM 482 CE2 PHE A 38 7.758 2.622 4.451 1.00 0.00 C ATOM 483 CZ PHE A 38 7.052 3.557 5.174 1.00 0.00 C ATOM 0 H PHE A 38 10.445 5.934 -0.213 1.00 0.00 H new ATOM 0 HA PHE A 38 9.944 6.346 2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 38 8.321 5.226 0.906 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.382 3.835 1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.558 6.237 3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.946 2.241 2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.428 5.591 5.294 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.813 1.602 4.801 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.555 3.270 6.089 1.00 0.00 H new ATOM 493 N ASP A 39 12.599 4.912 1.574 1.00 0.00 N ATOM 494 CA ASP A 39 13.922 4.140 1.838 1.00 0.00 C ATOM 495 C ASP A 39 14.302 4.036 3.317 1.00 0.00 C ATOM 496 O ASP A 39 15.019 3.137 3.749 1.00 0.00 O ATOM 497 CB ASP A 39 15.104 4.790 1.092 1.00 0.00 C ATOM 498 CG ASP A 39 15.587 6.119 1.682 1.00 0.00 C ATOM 499 OD1 ASP A 39 14.756 6.924 2.157 1.00 0.00 O1- ATOM 500 OD2 ASP A 39 16.819 6.353 1.686 1.00 0.00 O ATOM 0 H ASP A 39 12.648 5.460 0.715 1.00 0.00 H new ATOM 0 HA ASP A 39 13.728 3.133 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.938 4.089 1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.814 4.954 0.054 1.00 0.00 H new ATOM 505 N HIS A 40 13.826 4.952 4.041 1.00 0.00 N ATOM 506 CA HIS A 40 13.886 5.038 5.475 1.00 0.00 C ATOM 507 C HIS A 40 13.338 3.739 6.166 1.00 0.00 C ATOM 508 O HIS A 40 13.556 3.553 7.335 1.00 0.00 O ATOM 509 CB HIS A 40 13.131 6.304 5.934 1.00 0.00 C ATOM 510 CG HIS A 40 13.603 7.537 5.195 1.00 0.00 C ATOM 511 ND1 HIS A 40 12.811 8.249 4.316 1.00 0.00 N ATOM 512 CD2 HIS A 40 14.824 8.123 5.146 1.00 0.00 C ATOM 513 CE1 HIS A 40 13.526 9.206 3.762 1.00 0.00 C ATOM 514 NE2 HIS A 40 14.754 9.153 4.241 1.00 0.00 N ATOM 0 H HIS A 40 13.334 5.747 3.633 1.00 0.00 H new ATOM 0 HA HIS A 40 14.929 5.118 5.783 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.062 6.169 5.771 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.275 6.445 7.005 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.694 7.832 5.716 1.00 0.00 H new ATOM 0 HE1 HIS A 40 13.166 9.918 3.034 1.00 0.00 H new ATOM 0 HE2 HIS A 40 15.522 9.773 3.983 1.00 0.00 H new ATOM 523 N LEU A 41 12.592 2.877 5.402 1.00 0.00 N ATOM 524 CA LEU A 41 11.948 1.584 5.866 1.00 0.00 C ATOM 525 C LEU A 41 12.763 0.780 6.858 1.00 0.00 C ATOM 526 O LEU A 41 12.191 0.078 7.672 1.00 0.00 O ATOM 527 CB LEU A 41 11.679 0.587 4.730 1.00 0.00 C ATOM 528 CG LEU A 41 10.880 1.027 3.542 1.00 0.00 C ATOM 529 CD1 LEU A 41 11.777 1.481 2.421 1.00 0.00 C ATOM 530 CD2 LEU A 41 9.928 -0.056 3.088 1.00 0.00 C ATOM 0 H LEU A 41 12.412 3.062 4.415 1.00 0.00 H new ATOM 0 HA LEU A 41 11.033 1.965 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.645 0.239 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.173 -0.275 5.164 1.00 0.00 H new ATOM 0 HG LEU A 41 10.277 1.883 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.169 1.794 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.387 2.319 2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.426 0.659 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.363 0.295 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.494 -0.946 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.240 -0.298 3.898 1.00 0.00 H new ATOM 542 N ARG A 42 14.083 0.873 6.798 1.00 0.00 N ATOM 543 CA ARG A 42 14.963 0.087 7.684 1.00 0.00 C ATOM 544 C ARG A 42 14.831 0.572 9.133 1.00 0.00 C ATOM 545 O ARG A 42 15.375 -0.013 10.056 1.00 0.00 O ATOM 546 CB ARG A 42 16.445 0.086 7.199 1.00 0.00 C ATOM 547 CG ARG A 42 16.668 -0.505 5.783 1.00 0.00 C ATOM 548 CD ARG A 42 16.316 0.489 4.667 1.00 0.00 C ATOM 549 NE ARG A 42 16.213 -0.140 3.338 1.00 0.00 N ATOM 550 CZ ARG A 42 16.346 0.492 2.145 1.00 0.00 C ATOM 551 NH1 ARG A 42 16.771 1.750 2.074 1.00 0.00 N1+ ATOM 552 NH2 ARG A 42 16.041 -0.154 1.041 1.00 0.00 N ATOM 0 H ARG A 42 14.579 1.483 6.148 1.00 0.00 H new ATOM 0 HA ARG A 42 14.635 -0.952 7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 42 16.817 1.110 7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 42 17.045 -0.480 7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 42 17.710 -0.808 5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 42 16.062 -1.404 5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.369 0.973 4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 42 17.075 1.271 4.634 1.00 0.00 H new ATOM 0 HE ARG A 42 16.024 -1.142 3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 42 17.004 2.258 2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 42 16.864 2.206 1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 42 15.709 -1.117 1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 42 16.136 0.308 0.137 1.00 0.00 H new ATOM 566 N ALA A 43 14.098 1.649 9.290 1.00 0.00 N ATOM 567 CA ALA A 43 13.704 2.172 10.559 1.00 0.00 C ATOM 568 C ALA A 43 12.539 1.332 11.104 1.00 0.00 C ATOM 569 O ALA A 43 12.580 0.829 12.234 1.00 0.00 O ATOM 570 CB ALA A 43 13.250 3.607 10.362 1.00 0.00 C ATOM 0 H ALA A 43 13.752 2.198 8.504 1.00 0.00 H new ATOM 0 HA ALA A 43 14.534 2.138 11.264 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.944 4.027 11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.071 4.196 9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.408 3.631 9.670 1.00 0.00 H new ATOM 576 N LYS A 44 11.514 1.121 10.267 1.00 0.00 N ATOM 577 CA LYS A 44 10.329 0.407 10.726 1.00 0.00 C ATOM 578 C LYS A 44 10.516 -1.092 10.606 1.00 0.00 C ATOM 579 O LYS A 44 10.024 -1.825 11.448 1.00 0.00 O ATOM 580 CB LYS A 44 9.125 0.803 9.864 1.00 0.00 C ATOM 581 CG LYS A 44 8.660 2.243 10.001 1.00 0.00 C ATOM 582 CD LYS A 44 7.617 2.560 8.937 1.00 0.00 C ATOM 583 CE LYS A 44 6.974 3.926 9.139 1.00 0.00 C ATOM 584 NZ LYS A 44 6.123 3.963 10.347 1.00 0.00 N1+ ATOM 0 H LYS A 44 11.485 1.428 9.295 1.00 0.00 H new ATOM 0 HA LYS A 44 10.164 0.670 11.771 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.374 0.619 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.292 0.146 10.113 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.239 2.404 10.993 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.509 2.919 9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.084 2.524 7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.843 1.792 8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.752 4.685 9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.374 4.177 8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.786 4.934 10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.308 3.331 10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.676 3.650 11.171 1.00 0.00 H new ATOM 598 N LYS A 45 11.389 -1.510 9.678 1.00 0.00 N ATOM 599 CA LYS A 45 11.700 -2.929 9.438 1.00 0.00 C ATOM 600 C LYS A 45 10.434 -3.775 9.296 1.00 0.00 C ATOM 601 O LYS A 45 10.116 -4.570 10.173 1.00 0.00 O ATOM 602 CB LYS A 45 12.605 -3.463 10.526 1.00 0.00 C ATOM 603 CG LYS A 45 13.894 -2.679 10.653 1.00 0.00 C ATOM 604 CD LYS A 45 14.558 -2.911 12.008 1.00 0.00 C ATOM 605 CE LYS A 45 13.941 -2.019 13.117 1.00 0.00 C ATOM 606 NZ LYS A 45 12.455 -2.168 13.279 1.00 0.00 N1+ ATOM 0 H LYS A 45 11.902 -0.872 9.070 1.00 0.00 H new ATOM 0 HA LYS A 45 12.230 -2.998 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.075 -3.439 11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.839 -4.507 10.318 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.579 -2.971 9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.689 -1.616 10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.456 -3.960 12.287 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.625 -2.705 11.929 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.423 -2.255 14.066 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.167 -0.976 12.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.156 -1.717 14.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.971 -1.712 12.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.208 -3.178 13.303 1.00 0.00 H new ATOM 620 N ILE A 46 9.657 -3.487 8.250 1.00 0.00 N ATOM 621 CA ILE A 46 8.391 -4.184 8.003 1.00 0.00 C ATOM 622 C ILE A 46 8.661 -5.683 7.797 1.00 0.00 C ATOM 623 O ILE A 46 7.903 -6.532 8.245 1.00 0.00 O ATOM 624 CB ILE A 46 7.603 -3.624 6.745 1.00 0.00 C ATOM 625 CG1 ILE A 46 7.373 -2.103 6.795 1.00 0.00 C ATOM 626 CG2 ILE A 46 6.256 -4.310 6.571 1.00 0.00 C ATOM 627 CD1 ILE A 46 8.526 -1.268 6.287 1.00 0.00 C ATOM 0 H ILE A 46 9.883 -2.773 7.557 1.00 0.00 H new ATOM 0 HA ILE A 46 7.765 -4.014 8.879 1.00 0.00 H new ATOM 0 HB ILE A 46 8.247 -3.845 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.485 -1.865 6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.162 -1.816 7.825 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.748 -3.898 5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.408 -5.380 6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.646 -4.144 7.459 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.270 -0.211 6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.414 -1.470 6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.727 -1.520 5.246 1.00 0.00 H new ATOM 639 N LEU A 47 9.740 -5.977 7.117 1.00 0.00 N ATOM 640 CA LEU A 47 10.158 -7.334 6.864 1.00 0.00 C ATOM 641 C LEU A 47 11.511 -7.518 7.558 1.00 0.00 C ATOM 642 O LEU A 47 11.854 -6.771 8.483 1.00 0.00 O ATOM 643 CB LEU A 47 10.359 -7.591 5.351 1.00 0.00 C ATOM 644 CG LEU A 47 9.199 -7.404 4.333 1.00 0.00 C ATOM 645 CD1 LEU A 47 8.016 -8.318 4.578 1.00 0.00 C ATOM 646 CD2 LEU A 47 8.762 -5.958 4.217 1.00 0.00 C ATOM 0 H LEU A 47 10.361 -5.273 6.718 1.00 0.00 H new ATOM 0 HA LEU A 47 9.397 -8.023 7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.173 -6.944 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.708 -8.618 5.248 1.00 0.00 H new ATOM 0 HG LEU A 47 9.618 -7.704 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.248 -8.128 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.339 -9.357 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.608 -8.127 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.950 -5.880 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.418 -5.603 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.603 -5.349 3.885 1.00 0.00 H new ATOM 658 N SER A 48 12.285 -8.484 7.110 1.00 0.00 N ATOM 659 CA SER A 48 13.592 -8.709 7.656 1.00 0.00 C ATOM 660 C SER A 48 14.540 -7.577 7.214 1.00 0.00 C ATOM 661 O SER A 48 14.375 -7.019 6.128 1.00 0.00 O ATOM 662 CB SER A 48 14.096 -10.061 7.185 1.00 0.00 C ATOM 663 OG SER A 48 13.166 -11.070 7.539 1.00 0.00 O ATOM 0 H SER A 48 12.022 -9.127 6.363 1.00 0.00 H new ATOM 0 HA SER A 48 13.552 -8.710 8.745 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.240 -10.049 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.066 -10.274 7.634 1.00 0.00 H new ATOM 0 HG SER A 48 13.495 -11.940 7.231 1.00 0.00 H new ATOM 669 N ARG A 49 15.525 -7.260 8.068 1.00 0.00 N ATOM 670 CA ARG A 49 16.486 -6.165 7.830 1.00 0.00 C ATOM 671 C ARG A 49 17.088 -6.254 6.428 1.00 0.00 C ATOM 672 O ARG A 49 17.014 -5.308 5.644 1.00 0.00 O ATOM 673 CB ARG A 49 17.654 -6.260 8.812 1.00 0.00 C ATOM 674 CG ARG A 49 18.572 -5.058 8.811 1.00 0.00 C ATOM 675 CD ARG A 49 19.879 -5.418 9.460 1.00 0.00 C ATOM 676 NE ARG A 49 19.765 -5.837 10.870 1.00 0.00 N ATOM 677 CZ ARG A 49 20.302 -6.985 11.352 1.00 0.00 C ATOM 678 NH1 ARG A 49 20.772 -7.917 10.508 1.00 0.00 N1+ ATOM 679 NH2 ARG A 49 20.314 -7.219 12.674 1.00 0.00 N ATOM 0 H ARG A 49 15.680 -7.755 8.946 1.00 0.00 H new ATOM 0 HA ARG A 49 15.937 -5.231 7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.257 -6.397 9.818 1.00 0.00 H new ATOM 0 HB3 ARG A 49 18.239 -7.149 8.576 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.743 -4.720 7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.105 -4.231 9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.343 -6.223 8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.548 -4.559 9.402 1.00 0.00 H new ATOM 0 HE ARG A 49 19.256 -5.232 11.515 1.00 0.00 H new ATOM 0 HH11 ARG A 49 20.726 -7.763 9.501 1.00 0.00 H new ATOM 0 HH12 ARG A 49 21.175 -8.779 10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 49 19.919 -6.533 13.317 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.718 -8.083 13.035 1.00 0.00 H new ATOM 693 N GLU A 50 17.665 -7.416 6.141 1.00 0.00 N ATOM 694 CA GLU A 50 18.389 -7.671 4.903 1.00 0.00 C ATOM 695 C GLU A 50 17.480 -7.511 3.704 1.00 0.00 C ATOM 696 O GLU A 50 17.842 -6.872 2.726 1.00 0.00 O ATOM 697 CB GLU A 50 18.988 -9.084 4.913 1.00 0.00 C ATOM 698 CG GLU A 50 19.696 -9.464 6.216 1.00 0.00 C ATOM 699 CD GLU A 50 20.595 -8.372 6.742 1.00 0.00 C ATOM 700 OE1 GLU A 50 21.418 -7.856 5.982 1.00 0.00 O1- ATOM 701 OE2 GLU A 50 20.414 -7.971 7.907 1.00 0.00 O ATOM 0 H GLU A 50 17.642 -8.218 6.771 1.00 0.00 H new ATOM 0 HA GLU A 50 19.196 -6.941 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.192 -9.804 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.698 -9.170 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 50 18.948 -9.706 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 50 20.287 -10.365 6.052 1.00 0.00 H new ATOM 708 N ASP A 51 16.292 -8.061 3.832 1.00 0.00 N ATOM 709 CA ASP A 51 15.253 -8.023 2.802 1.00 0.00 C ATOM 710 C ASP A 51 14.952 -6.600 2.359 1.00 0.00 C ATOM 711 O ASP A 51 15.173 -6.231 1.191 1.00 0.00 O ATOM 712 CB ASP A 51 13.976 -8.684 3.343 1.00 0.00 C ATOM 713 CG ASP A 51 12.733 -8.285 2.577 1.00 0.00 C ATOM 714 OD1 ASP A 51 12.150 -7.227 2.933 1.00 0.00 O ATOM 715 OD2 ASP A 51 12.338 -9.003 1.656 1.00 0.00 O1- ATOM 0 H ASP A 51 16.006 -8.562 4.673 1.00 0.00 H new ATOM 0 HA ASP A 51 15.616 -8.569 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.089 -9.767 3.302 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.851 -8.416 4.392 1.00 0.00 H new ATOM 720 N THR A 52 14.523 -5.779 3.306 1.00 0.00 N ATOM 721 CA THR A 52 14.116 -4.445 2.998 1.00 0.00 C ATOM 722 C THR A 52 15.333 -3.572 2.612 1.00 0.00 C ATOM 723 O THR A 52 15.179 -2.465 2.119 1.00 0.00 O ATOM 724 CB THR A 52 13.279 -3.838 4.156 1.00 0.00 C ATOM 725 OG1 THR A 52 12.367 -4.854 4.636 1.00 0.00 O ATOM 726 CG2 THR A 52 12.435 -2.631 3.666 1.00 0.00 C ATOM 0 H THR A 52 14.453 -6.028 4.293 1.00 0.00 H new ATOM 0 HA THR A 52 13.463 -4.471 2.125 1.00 0.00 H new ATOM 0 HB THR A 52 13.959 -3.500 4.938 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.245 -5.537 3.944 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.860 -2.227 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.097 -1.859 3.274 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.754 -2.958 2.880 1.00 0.00 H new ATOM 734 N ARG A 53 16.551 -4.068 2.846 1.00 0.00 N ATOM 735 CA ARG A 53 17.733 -3.387 2.340 1.00 0.00 C ATOM 736 C ARG A 53 17.876 -3.714 0.864 1.00 0.00 C ATOM 737 O ARG A 53 17.845 -2.825 0.014 1.00 0.00 O ATOM 738 CB ARG A 53 19.047 -3.843 2.984 1.00 0.00 C ATOM 739 CG ARG A 53 19.279 -3.595 4.455 1.00 0.00 C ATOM 740 CD ARG A 53 20.745 -3.948 4.824 1.00 0.00 C ATOM 741 NE ARG A 53 21.106 -5.382 4.614 1.00 0.00 N ATOM 742 CZ ARG A 53 21.581 -5.949 3.467 1.00 0.00 C ATOM 743 NH1 ARG A 53 21.742 -5.235 2.354 1.00 0.00 N1+ ATOM 744 NH2 ARG A 53 21.916 -7.223 3.475 1.00 0.00 N ATOM 0 H ARG A 53 16.737 -4.922 3.372 1.00 0.00 H new ATOM 0 HA ARG A 53 17.583 -2.330 2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 53 19.138 -4.916 2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 53 19.861 -3.364 2.440 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.076 -2.551 4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 53 18.590 -4.197 5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 53 21.416 -3.326 4.231 1.00 0.00 H new ATOM 0 HD3 ARG A 53 20.915 -3.693 5.870 1.00 0.00 H new ATOM 0 HE ARG A 53 20.985 -6.004 5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.509 -4.242 2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 53 22.099 -5.681 1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 53 21.819 -7.771 4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 53 22.273 -7.662 2.626 1.00 0.00 H new ATOM 758 N GLU A 54 17.963 -5.022 0.594 1.00 0.00 N ATOM 759 CA GLU A 54 18.270 -5.595 -0.720 1.00 0.00 C ATOM 760 C GLU A 54 17.384 -5.133 -1.853 1.00 0.00 C ATOM 761 O GLU A 54 17.831 -5.126 -3.016 1.00 0.00 O ATOM 762 CB GLU A 54 18.334 -7.117 -0.666 1.00 0.00 C ATOM 763 CG GLU A 54 19.558 -7.645 0.061 1.00 0.00 C ATOM 764 CD GLU A 54 20.835 -7.192 -0.605 1.00 0.00 C ATOM 765 OE1 GLU A 54 21.136 -7.698 -1.709 1.00 0.00 O ATOM 766 OE2 GLU A 54 21.540 -6.327 -0.041 1.00 0.00 O1- ATOM 0 H GLU A 54 17.816 -5.734 1.309 1.00 0.00 H new ATOM 0 HA GLU A 54 19.258 -5.200 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 54 17.438 -7.493 -0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.327 -7.510 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.544 -7.302 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.526 -8.734 0.086 1.00 0.00 H new ATOM 773 N ILE A 55 16.150 -4.737 -1.554 1.00 0.00 N ATOM 774 CA ILE A 55 15.284 -4.218 -2.595 1.00 0.00 C ATOM 775 C ILE A 55 15.905 -2.967 -3.251 1.00 0.00 C ATOM 776 O ILE A 55 15.776 -2.771 -4.441 1.00 0.00 O ATOM 777 CB ILE A 55 13.772 -4.030 -2.146 1.00 0.00 C ATOM 778 CG1 ILE A 55 13.594 -3.035 -0.972 1.00 0.00 C ATOM 779 CG2 ILE A 55 13.144 -5.377 -1.810 1.00 0.00 C ATOM 780 CD1 ILE A 55 13.445 -1.576 -1.390 1.00 0.00 C ATOM 0 H ILE A 55 15.739 -4.766 -0.621 1.00 0.00 H new ATOM 0 HA ILE A 55 15.220 -4.985 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 55 13.252 -3.590 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.715 -3.326 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.453 -3.122 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.108 -5.229 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 55 13.175 -6.022 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.699 -5.845 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.326 -0.954 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.334 -1.262 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.569 -1.468 -2.029 1.00 0.00 H new ATOM 792 N SER A 56 16.658 -2.195 -2.470 1.00 0.00 N ATOM 793 CA SER A 56 17.358 -1.024 -2.975 1.00 0.00 C ATOM 794 C SER A 56 18.790 -1.347 -3.448 1.00 0.00 C ATOM 795 O SER A 56 19.516 -0.453 -3.898 1.00 0.00 O ATOM 796 CB SER A 56 17.406 0.080 -1.922 1.00 0.00 C ATOM 797 OG SER A 56 16.098 0.508 -1.571 1.00 0.00 O ATOM 0 H SER A 56 16.797 -2.366 -1.474 1.00 0.00 H new ATOM 0 HA SER A 56 16.791 -0.679 -3.840 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.924 -0.282 -1.034 1.00 0.00 H new ATOM 0 HB3 SER A 56 17.979 0.926 -2.303 1.00 0.00 H new ATOM 0 HG SER A 56 15.707 1.010 -2.316 1.00 0.00 H new ATOM 803 N CYS A 57 19.224 -2.578 -3.316 1.00 0.00 N ATOM 804 CA CYS A 57 20.571 -2.884 -3.733 1.00 0.00 C ATOM 805 C CYS A 57 20.632 -3.358 -5.197 1.00 0.00 C ATOM 806 O CYS A 57 21.038 -2.621 -6.094 1.00 0.00 O ATOM 807 CB CYS A 57 21.189 -3.950 -2.818 1.00 0.00 C ATOM 808 SG CYS A 57 21.153 -3.565 -1.053 1.00 0.00 S ATOM 0 H CYS A 57 18.687 -3.358 -2.938 1.00 0.00 H new ATOM 0 HA CYS A 57 21.145 -1.961 -3.657 1.00 0.00 H new ATOM 0 HB2 CYS A 57 20.664 -4.892 -2.979 1.00 0.00 H new ATOM 0 HB3 CYS A 57 22.225 -4.107 -3.118 1.00 0.00 H new ATOM 0 HG CYS A 57 21.494 -4.618 -0.372 1.00 0.00 H new ATOM 814 N ARG A 58 20.166 -4.571 -5.420 1.00 0.00 N ATOM 815 CA ARG A 58 20.300 -5.240 -6.714 1.00 0.00 C ATOM 816 C ARG A 58 19.122 -5.055 -7.667 1.00 0.00 C ATOM 817 O ARG A 58 19.263 -5.218 -8.873 1.00 0.00 O ATOM 818 CB ARG A 58 20.625 -6.711 -6.494 1.00 0.00 C ATOM 819 CG ARG A 58 22.028 -6.933 -5.935 1.00 0.00 C ATOM 820 CD ARG A 58 22.236 -8.367 -5.486 1.00 0.00 C ATOM 821 NE ARG A 58 21.472 -8.672 -4.266 1.00 0.00 N ATOM 822 CZ ARG A 58 20.707 -9.740 -4.054 1.00 0.00 C ATOM 823 NH1 ARG A 58 20.489 -10.640 -5.025 1.00 0.00 N1+ ATOM 824 NH2 ARG A 58 20.155 -9.892 -2.865 1.00 0.00 N ATOM 0 H ARG A 58 19.683 -5.127 -4.714 1.00 0.00 H new ATOM 0 HA ARG A 58 21.125 -4.748 -7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 58 19.894 -7.141 -5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 58 20.528 -7.245 -7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 58 22.766 -6.680 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 58 22.194 -6.261 -5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 58 21.934 -9.045 -6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 58 23.297 -8.541 -5.304 1.00 0.00 H new ATOM 0 HE ARG A 58 21.535 -7.996 -3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 58 20.913 -10.512 -5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 58 19.900 -11.453 -4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 58 20.319 -9.200 -2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 58 19.564 -10.702 -2.677 1.00 0.00 H new ATOM 838 N THR A 59 17.984 -4.738 -7.126 1.00 0.00 N ATOM 839 CA THR A 59 16.762 -4.652 -7.896 1.00 0.00 C ATOM 840 C THR A 59 16.761 -3.419 -8.841 1.00 0.00 C ATOM 841 O THR A 59 17.364 -2.384 -8.530 1.00 0.00 O ATOM 842 CB THR A 59 15.581 -4.579 -6.917 1.00 0.00 C ATOM 843 OG1 THR A 59 15.785 -5.559 -5.889 1.00 0.00 O ATOM 844 CG2 THR A 59 14.258 -4.866 -7.613 1.00 0.00 C ATOM 0 H THR A 59 17.868 -4.529 -6.134 1.00 0.00 H new ATOM 0 HA THR A 59 16.677 -5.535 -8.530 1.00 0.00 H new ATOM 0 HB THR A 59 15.535 -3.572 -6.503 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.931 -5.755 -5.449 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.445 -4.805 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.096 -4.133 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.284 -5.866 -8.046 1.00 0.00 H new ATOM 852 N SER A 60 16.113 -3.555 -9.995 1.00 0.00 N ATOM 853 CA SER A 60 15.975 -2.482 -10.967 1.00 0.00 C ATOM 854 C SER A 60 15.190 -1.297 -10.339 1.00 0.00 C ATOM 855 O SER A 60 14.320 -1.518 -9.507 1.00 0.00 O ATOM 856 CB SER A 60 15.214 -3.040 -12.160 1.00 0.00 C ATOM 857 OG SER A 60 15.674 -4.352 -12.466 1.00 0.00 O ATOM 0 H SER A 60 15.665 -4.425 -10.282 1.00 0.00 H new ATOM 0 HA SER A 60 16.953 -2.114 -11.277 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.146 -3.063 -11.941 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.349 -2.389 -13.024 1.00 0.00 H new ATOM 0 HG SER A 60 15.176 -4.702 -13.234 1.00 0.00 H new ATOM 863 N SER A 61 15.480 -0.079 -10.787 1.00 0.00 N ATOM 864 CA SER A 61 14.938 1.173 -10.223 1.00 0.00 C ATOM 865 C SER A 61 13.405 1.170 -9.971 1.00 0.00 C ATOM 866 O SER A 61 12.962 1.144 -8.821 1.00 0.00 O ATOM 867 CB SER A 61 15.347 2.325 -11.134 1.00 0.00 C ATOM 868 OG SER A 61 15.073 1.989 -12.495 1.00 0.00 O ATOM 0 H SER A 61 16.113 0.079 -11.571 1.00 0.00 H new ATOM 0 HA SER A 61 15.366 1.288 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.805 3.229 -10.857 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.408 2.539 -11.010 1.00 0.00 H new ATOM 0 HG SER A 61 15.336 2.734 -13.075 1.00 0.00 H new ATOM 874 N ARG A 62 12.609 1.164 -11.038 1.00 0.00 N ATOM 875 CA ARG A 62 11.144 1.203 -10.890 1.00 0.00 C ATOM 876 C ARG A 62 10.569 -0.090 -10.322 1.00 0.00 C ATOM 877 O ARG A 62 9.443 -0.120 -9.853 1.00 0.00 O ATOM 878 CB ARG A 62 10.406 1.613 -12.172 1.00 0.00 C ATOM 879 CG ARG A 62 10.673 0.754 -13.399 1.00 0.00 C ATOM 880 CD ARG A 62 9.599 0.996 -14.454 1.00 0.00 C ATOM 881 NE ARG A 62 8.303 0.471 -13.994 1.00 0.00 N ATOM 882 CZ ARG A 62 7.186 1.196 -13.758 1.00 0.00 C ATOM 883 NH1 ARG A 62 7.130 2.493 -14.038 1.00 0.00 N1+ ATOM 884 NH2 ARG A 62 6.127 0.601 -13.254 1.00 0.00 N ATOM 0 H ARG A 62 12.940 1.133 -12.002 1.00 0.00 H new ATOM 0 HA ARG A 62 10.966 1.992 -10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.335 1.601 -11.971 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.674 2.643 -12.408 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.655 0.988 -13.809 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.687 -0.299 -13.119 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.515 2.063 -14.659 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.883 0.514 -15.389 1.00 0.00 H new ATOM 0 HE ARG A 62 8.242 -0.535 -13.838 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.941 2.963 -14.440 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.276 3.019 -13.851 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.154 -0.397 -13.045 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.279 1.138 -13.072 1.00 0.00 H new ATOM 898 N LYS A 63 11.356 -1.148 -10.356 1.00 0.00 N ATOM 899 CA LYS A 63 10.936 -2.433 -9.815 1.00 0.00 C ATOM 900 C LYS A 63 10.789 -2.365 -8.321 1.00 0.00 C ATOM 901 O LYS A 63 9.942 -3.016 -7.749 1.00 0.00 O ATOM 902 CB LYS A 63 11.943 -3.525 -10.157 1.00 0.00 C ATOM 903 CG LYS A 63 11.673 -4.282 -11.432 1.00 0.00 C ATOM 904 CD LYS A 63 10.412 -5.108 -11.281 1.00 0.00 C ATOM 905 CE LYS A 63 10.240 -6.093 -12.439 1.00 0.00 C ATOM 906 NZ LYS A 63 11.364 -7.076 -12.521 1.00 0.00 N1+ ATOM 0 H LYS A 63 12.295 -1.146 -10.754 1.00 0.00 H new ATOM 0 HA LYS A 63 9.973 -2.672 -10.266 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.933 -3.073 -10.226 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.974 -4.237 -9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.565 -3.585 -12.263 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.517 -4.930 -11.667 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.446 -5.656 -10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.547 -4.447 -11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.299 -6.630 -12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.175 -5.540 -13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.066 -7.897 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.186 -6.626 -12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.622 -7.389 -11.563 1.00 0.00 H new ATOM 920 N ARG A 64 11.592 -1.538 -7.720 1.00 0.00 N ATOM 921 CA ARG A 64 11.663 -1.432 -6.278 1.00 0.00 C ATOM 922 C ARG A 64 10.434 -0.734 -5.720 1.00 0.00 C ATOM 923 O ARG A 64 10.072 -0.923 -4.566 1.00 0.00 O ATOM 924 CB ARG A 64 12.867 -0.600 -5.901 1.00 0.00 C ATOM 925 CG ARG A 64 14.164 -1.084 -6.476 1.00 0.00 C ATOM 926 CD ARG A 64 15.230 -0.044 -6.296 1.00 0.00 C ATOM 927 NE ARG A 64 16.525 -0.457 -6.819 1.00 0.00 N ATOM 928 CZ ARG A 64 17.686 0.050 -6.425 1.00 0.00 C ATOM 929 NH1 ARG A 64 17.716 1.006 -5.502 1.00 0.00 N1+ ATOM 930 NH2 ARG A 64 18.820 -0.434 -6.931 1.00 0.00 N ATOM 0 H ARG A 64 12.225 -0.909 -8.214 1.00 0.00 H new ATOM 0 HA ARG A 64 11.729 -2.440 -5.869 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.700 0.426 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.952 -0.578 -4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.464 -2.011 -5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.039 -1.308 -7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.920 0.875 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.330 0.186 -5.235 1.00 0.00 H new ATOM 0 HE ARG A 64 16.540 -1.183 -7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.846 1.350 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.609 1.395 -5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.791 -1.189 -7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.716 -0.049 -6.633 1.00 0.00 H new ATOM 944 N ALA A 65 9.804 0.067 -6.553 1.00 0.00 N ATOM 945 CA ALA A 65 8.719 0.902 -6.122 1.00 0.00 C ATOM 946 C ALA A 65 7.452 0.087 -5.825 1.00 0.00 C ATOM 947 O ALA A 65 7.057 -0.067 -4.670 1.00 0.00 O ATOM 948 CB ALA A 65 8.431 1.963 -7.171 1.00 0.00 C ATOM 0 H ALA A 65 10.033 0.153 -7.543 1.00 0.00 H new ATOM 0 HA ALA A 65 9.021 1.385 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.606 2.592 -6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.319 2.578 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.161 1.482 -8.111 1.00 0.00 H new ATOM 954 N GLY A 66 6.856 -0.465 -6.870 1.00 0.00 N ATOM 955 CA GLY A 66 5.605 -1.185 -6.736 1.00 0.00 C ATOM 956 C GLY A 66 5.745 -2.540 -6.087 1.00 0.00 C ATOM 957 O GLY A 66 4.825 -3.005 -5.411 1.00 0.00 O ATOM 0 H GLY A 66 7.222 -0.427 -7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.911 -0.582 -6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.162 -1.310 -7.724 1.00 0.00 H new ATOM 961 N LYS A 67 6.911 -3.168 -6.242 1.00 0.00 N ATOM 962 CA LYS A 67 7.117 -4.507 -5.695 1.00 0.00 C ATOM 963 C LYS A 67 7.178 -4.423 -4.165 1.00 0.00 C ATOM 964 O LYS A 67 6.912 -5.400 -3.478 1.00 0.00 O ATOM 965 CB LYS A 67 8.397 -5.160 -6.306 1.00 0.00 C ATOM 966 CG LYS A 67 8.505 -6.711 -6.243 1.00 0.00 C ATOM 967 CD LYS A 67 8.754 -7.264 -4.841 1.00 0.00 C ATOM 968 CE LYS A 67 8.805 -8.789 -4.825 1.00 0.00 C ATOM 969 NZ LYS A 67 7.541 -9.403 -5.306 1.00 0.00 N1+ ATOM 0 H LYS A 67 7.715 -2.778 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 67 6.280 -5.151 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.463 -4.859 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.265 -4.740 -5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.585 -7.144 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.314 -7.035 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.693 -6.866 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.965 -6.921 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.631 -9.129 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.010 -9.132 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.499 -10.396 -5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.731 -8.884 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.507 -9.359 -6.345 1.00 0.00 H new ATOM 983 N LEU A 68 7.481 -3.236 -3.640 1.00 0.00 N ATOM 984 CA LEU A 68 7.518 -3.044 -2.203 1.00 0.00 C ATOM 985 C LEU A 68 6.170 -3.342 -1.583 1.00 0.00 C ATOM 986 O LEU A 68 6.055 -4.171 -0.679 1.00 0.00 O ATOM 987 CB LEU A 68 7.880 -1.621 -1.805 1.00 0.00 C ATOM 988 CG LEU A 68 7.749 -1.400 -0.294 1.00 0.00 C ATOM 989 CD1 LEU A 68 8.864 -2.035 0.443 1.00 0.00 C ATOM 990 CD2 LEU A 68 7.544 0.042 0.118 1.00 0.00 C ATOM 0 H LEU A 68 7.701 -2.404 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 68 8.285 -3.729 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.902 -1.406 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.232 -0.921 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 68 6.823 -1.899 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.741 -1.859 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.864 -3.108 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.810 -1.606 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.462 0.102 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.392 0.640 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.630 0.424 -0.337 1.00 0.00 H new ATOM 1002 N LEU A 69 5.147 -2.707 -2.134 1.00 0.00 N ATOM 1003 CA LEU A 69 3.796 -2.742 -1.577 1.00 0.00 C ATOM 1004 C LEU A 69 3.221 -4.148 -1.754 1.00 0.00 C ATOM 1005 O LEU A 69 2.243 -4.533 -1.130 1.00 0.00 O ATOM 1006 CB LEU A 69 2.896 -1.698 -2.290 1.00 0.00 C ATOM 1007 CG LEU A 69 3.551 -0.339 -2.698 1.00 0.00 C ATOM 1008 CD1 LEU A 69 2.501 0.660 -3.125 1.00 0.00 C ATOM 1009 CD2 LEU A 69 4.430 0.255 -1.604 1.00 0.00 C ATOM 0 H LEU A 69 5.227 -2.149 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 69 3.831 -2.495 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.493 -2.161 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.050 -1.481 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 69 4.203 -0.559 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.983 1.597 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.951 0.267 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.811 0.838 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.855 1.197 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.830 0.433 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.235 -0.440 -1.367 1.00 0.00 H new ATOM 1021 N ASP A 70 3.874 -4.883 -2.617 1.00 0.00 N ATOM 1022 CA ASP A 70 3.569 -6.253 -2.935 1.00 0.00 C ATOM 1023 C ASP A 70 4.082 -7.218 -1.857 1.00 0.00 C ATOM 1024 O ASP A 70 3.301 -7.974 -1.287 1.00 0.00 O ATOM 1025 CB ASP A 70 4.188 -6.580 -4.304 1.00 0.00 C ATOM 1026 CG ASP A 70 4.278 -8.054 -4.626 1.00 0.00 C ATOM 1027 OD1 ASP A 70 3.355 -8.589 -5.226 1.00 0.00 O1- ATOM 1028 OD2 ASP A 70 5.324 -8.664 -4.331 1.00 0.00 O ATOM 0 H ASP A 70 4.671 -4.524 -3.142 1.00 0.00 H new ATOM 0 HA ASP A 70 2.487 -6.379 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.600 -6.089 -5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.190 -6.152 -4.345 1.00 0.00 H new ATOM 1033 N TYR A 71 5.381 -7.149 -1.525 1.00 0.00 N ATOM 1034 CA TYR A 71 5.961 -8.160 -0.631 1.00 0.00 C ATOM 1035 C TYR A 71 5.530 -8.054 0.829 1.00 0.00 C ATOM 1036 O TYR A 71 5.461 -9.053 1.542 1.00 0.00 O ATOM 1037 CB TYR A 71 7.496 -8.337 -0.775 1.00 0.00 C ATOM 1038 CG TYR A 71 8.445 -7.200 -0.372 1.00 0.00 C ATOM 1039 CD1 TYR A 71 8.806 -6.131 -1.213 1.00 0.00 C ATOM 1040 CD2 TYR A 71 9.072 -7.275 0.830 1.00 0.00 C ATOM 1041 CE1 TYR A 71 9.754 -5.207 -0.815 1.00 0.00 C ATOM 1042 CE2 TYR A 71 9.989 -6.347 1.217 1.00 0.00 C ATOM 1043 CZ TYR A 71 10.329 -5.333 0.410 1.00 0.00 C ATOM 1044 OH TYR A 71 11.273 -4.442 0.832 1.00 0.00 O ATOM 0 H TYR A 71 6.029 -6.431 -1.849 1.00 0.00 H new ATOM 0 HA TYR A 71 5.513 -9.084 -0.998 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.776 -9.214 -0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.698 -8.571 -1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.337 -6.031 -2.181 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.837 -8.092 1.496 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.034 -4.395 -1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.450 -6.429 2.190 1.00 0.00 H new ATOM 0 HH TYR A 71 10.838 -3.604 1.094 1.00 0.00 H new ATOM 1054 N LEU A 72 5.218 -6.876 1.259 1.00 0.00 N ATOM 1055 CA LEU A 72 4.797 -6.668 2.615 1.00 0.00 C ATOM 1056 C LEU A 72 3.307 -6.894 2.877 1.00 0.00 C ATOM 1057 O LEU A 72 2.905 -7.007 4.019 1.00 0.00 O ATOM 1058 CB LEU A 72 5.281 -5.353 3.157 1.00 0.00 C ATOM 1059 CG LEU A 72 5.269 -4.154 2.271 1.00 0.00 C ATOM 1060 CD1 LEU A 72 3.863 -3.686 1.967 1.00 0.00 C ATOM 1061 CD2 LEU A 72 6.082 -3.105 2.937 1.00 0.00 C ATOM 0 H LEU A 72 5.246 -6.031 0.688 1.00 0.00 H new ATOM 0 HA LEU A 72 5.286 -7.463 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.679 -5.118 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.305 -5.497 3.501 1.00 0.00 H new ATOM 0 HG LEU A 72 5.700 -4.398 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.903 -2.811 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.314 -4.484 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.357 -3.426 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.097 -2.208 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.646 -2.868 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.100 -3.468 3.076 1.00 0.00 H new ATOM 1073 N GLN A 73 2.519 -6.990 1.810 1.00 0.00 N ATOM 1074 CA GLN A 73 1.040 -6.999 1.866 1.00 0.00 C ATOM 1075 C GLN A 73 0.334 -7.781 2.998 1.00 0.00 C ATOM 1076 O GLN A 73 -0.467 -7.172 3.719 1.00 0.00 O ATOM 1077 CB GLN A 73 0.455 -7.453 0.523 1.00 0.00 C ATOM 1078 CG GLN A 73 -1.059 -7.756 0.564 1.00 0.00 C ATOM 1079 CD GLN A 73 -1.987 -6.652 0.878 1.00 0.00 C ATOM 1080 OE1 GLN A 73 -1.685 -5.694 1.549 1.00 0.00 O ATOM 1081 NE2 GLN A 73 -3.173 -6.846 0.457 1.00 0.00 N ATOM 0 H GLN A 73 2.885 -7.066 0.861 1.00 0.00 H new ATOM 0 HA GLN A 73 0.829 -5.956 2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.639 -6.679 -0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.984 -8.346 0.192 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.343 -8.162 -0.407 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.220 -8.545 1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.386 -7.669 -0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.910 -6.179 0.684 1.00 0.00 H new ATOM 1090 N GLU A 74 0.620 -9.066 3.248 1.00 0.00 N ATOM 1091 CA GLU A 74 -0.409 -9.715 4.038 1.00 0.00 C ATOM 1092 C GLU A 74 -0.396 -9.556 5.550 1.00 0.00 C ATOM 1093 O GLU A 74 -1.441 -9.152 6.062 1.00 0.00 O ATOM 1094 CB GLU A 74 -0.604 -11.181 3.643 1.00 0.00 C ATOM 1095 CG GLU A 74 -1.451 -11.360 2.393 1.00 0.00 C ATOM 1096 CD GLU A 74 -2.797 -10.683 2.563 1.00 0.00 C ATOM 1097 OE1 GLU A 74 -3.512 -11.000 3.536 1.00 0.00 O ATOM 1098 OE2 GLU A 74 -3.118 -9.772 1.806 1.00 0.00 O1- ATOM 0 H GLU A 74 1.435 -9.607 2.960 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.277 -9.119 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.372 -11.639 3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.073 -11.714 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.932 -10.940 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.594 -12.422 2.192 1.00 0.00 H new ATOM 1105 N ASN A 75 0.697 -9.784 6.294 1.00 0.00 N ATOM 1106 CA ASN A 75 0.620 -9.396 7.731 1.00 0.00 C ATOM 1107 C ASN A 75 1.913 -9.192 8.512 1.00 0.00 C ATOM 1108 O ASN A 75 2.060 -9.832 9.548 1.00 0.00 O ATOM 1109 CB ASN A 75 -0.451 -10.182 8.576 1.00 0.00 C ATOM 1110 CG ASN A 75 -0.730 -9.574 9.978 1.00 0.00 C ATOM 1111 OD1 ASN A 75 -0.628 -8.348 10.200 1.00 0.00 O ATOM 1112 ND2 ASN A 75 -1.082 -10.419 10.924 1.00 0.00 N ATOM 0 H ASN A 75 1.574 -10.196 5.975 1.00 0.00 H new ATOM 0 HA ASN A 75 0.262 -8.376 7.593 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -1.385 -10.217 8.015 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.115 -11.212 8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.279 -10.078 11.865 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.158 -11.415 10.716 1.00 0.00 H new ATOM 1119 N PRO A 76 2.946 -8.478 8.093 1.00 0.00 N ATOM 1120 CA PRO A 76 3.855 -8.115 9.146 1.00 0.00 C ATOM 1121 C PRO A 76 3.323 -6.826 9.831 1.00 0.00 C ATOM 1122 O PRO A 76 2.738 -6.888 10.908 1.00 0.00 O ATOM 1123 CB PRO A 76 5.142 -7.850 8.363 1.00 0.00 C ATOM 1124 CG PRO A 76 4.673 -7.492 6.972 1.00 0.00 C ATOM 1125 CD PRO A 76 3.405 -8.222 6.747 1.00 0.00 C ATOM 0 HA PRO A 76 3.986 -8.854 9.937 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.718 -7.039 8.809 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.787 -8.729 8.350 1.00 0.00 H new ATOM 0 HG2 PRO A 76 4.521 -6.417 6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.418 -7.774 6.228 1.00 0.00 H new ATOM 0 HD2 PRO A 76 2.689 -7.626 6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.562 -9.145 6.190 1.00 0.00 H new ATOM 1133 N LYS A 77 3.487 -5.671 9.183 1.00 0.00 N ATOM 1134 CA LYS A 77 2.683 -4.456 9.275 1.00 0.00 C ATOM 1135 C LYS A 77 2.440 -3.898 7.878 1.00 0.00 C ATOM 1136 O LYS A 77 2.292 -2.686 7.729 1.00 0.00 O ATOM 1137 CB LYS A 77 3.241 -3.444 10.260 1.00 0.00 C ATOM 1138 CG LYS A 77 2.838 -3.726 11.724 1.00 0.00 C ATOM 1139 CD LYS A 77 1.313 -3.504 11.982 1.00 0.00 C ATOM 1140 CE LYS A 77 0.469 -4.807 12.187 1.00 0.00 C ATOM 1141 NZ LYS A 77 0.333 -5.664 10.974 1.00 0.00 N1+ ATOM 0 H LYS A 77 4.255 -5.555 8.522 1.00 0.00 H new ATOM 0 HA LYS A 77 1.712 -4.712 9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.328 -3.437 10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.896 -2.448 9.981 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.100 -4.753 11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.413 -3.078 12.386 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.199 -2.875 12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.896 -2.950 11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.926 -5.397 12.982 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.527 -4.527 12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.409 -6.376 11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.076 -5.073 10.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.237 -6.142 10.784 1.00 0.00 H new ATOM 1155 N GLY A 78 2.369 -4.789 6.891 1.00 0.00 N ATOM 1156 CA GLY A 78 2.684 -4.432 5.494 1.00 0.00 C ATOM 1157 C GLY A 78 2.226 -3.097 4.955 1.00 0.00 C ATOM 1158 O GLY A 78 3.043 -2.184 4.860 1.00 0.00 O ATOM 0 H GLY A 78 2.098 -5.763 7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.767 -4.478 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.262 -5.207 4.854 1.00 0.00 H new ATOM 1162 N LEU A 79 0.976 -2.926 4.652 1.00 0.00 N ATOM 1163 CA LEU A 79 0.545 -1.608 4.226 1.00 0.00 C ATOM 1164 C LEU A 79 0.077 -0.805 5.347 1.00 0.00 C ATOM 1165 O LEU A 79 -0.040 0.415 5.234 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.374 -1.513 3.005 1.00 0.00 C ATOM 1167 CG LEU A 79 0.281 -1.859 1.668 1.00 0.00 C ATOM 1168 CD1 LEU A 79 0.219 -3.320 1.409 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -0.281 -1.044 0.519 1.00 0.00 C ATOM 0 H LEU A 79 0.252 -3.644 4.685 1.00 0.00 H new ATOM 0 HA LEU A 79 1.465 -1.173 3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.224 -2.178 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.769 -0.499 2.946 1.00 0.00 H new ATOM 0 HG LEU A 79 1.333 -1.584 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.692 -3.540 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.742 -3.853 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.822 -3.641 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.218 -1.329 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.351 -1.233 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.115 0.016 0.710 1.00 0.00 H new ATOM 1181 N ASP A 80 -0.218 -1.503 6.430 1.00 0.00 N ATOM 1182 CA ASP A 80 -0.745 -0.927 7.650 1.00 0.00 C ATOM 1183 C ASP A 80 0.121 0.266 8.073 1.00 0.00 C ATOM 1184 O ASP A 80 -0.373 1.297 8.504 1.00 0.00 O ATOM 1185 CB ASP A 80 -0.743 -1.929 8.833 1.00 0.00 C ATOM 1186 CG ASP A 80 -1.158 -3.347 8.494 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -2.151 -3.544 7.811 1.00 0.00 O1- ATOM 1188 OD2 ASP A 80 -0.420 -4.289 8.912 1.00 0.00 O ATOM 0 H ASP A 80 -0.093 -2.514 6.484 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.772 -0.633 7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.259 -1.956 9.261 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.410 -1.550 9.607 1.00 0.00 H new ATOM 1193 N THR A 81 1.428 0.096 7.955 1.00 0.00 N ATOM 1194 CA THR A 81 2.346 1.153 8.271 1.00 0.00 C ATOM 1195 C THR A 81 2.656 2.034 7.033 1.00 0.00 C ATOM 1196 O THR A 81 3.012 3.188 7.174 1.00 0.00 O ATOM 1197 CB THR A 81 3.646 0.666 8.998 1.00 0.00 C ATOM 1198 OG1 THR A 81 4.381 1.808 9.516 1.00 0.00 O ATOM 1199 CG2 THR A 81 4.554 -0.160 8.069 1.00 0.00 C ATOM 0 H THR A 81 1.868 -0.769 7.641 1.00 0.00 H new ATOM 0 HA THR A 81 1.834 1.782 8.999 1.00 0.00 H new ATOM 0 HB THR A 81 3.339 0.019 9.820 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.753 2.523 9.748 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.443 -0.476 8.616 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.012 -1.038 7.718 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.851 0.449 7.215 1.00 0.00 H new ATOM 1207 N LEU A 82 2.560 1.478 5.821 1.00 0.00 N ATOM 1208 CA LEU A 82 2.835 2.276 4.613 1.00 0.00 C ATOM 1209 C LEU A 82 1.814 3.420 4.457 1.00 0.00 C ATOM 1210 O LEU A 82 2.187 4.560 4.126 1.00 0.00 O ATOM 1211 CB LEU A 82 2.851 1.442 3.314 1.00 0.00 C ATOM 1212 CG LEU A 82 3.854 0.277 3.186 1.00 0.00 C ATOM 1213 CD1 LEU A 82 3.980 -0.120 1.751 1.00 0.00 C ATOM 1214 CD2 LEU A 82 5.215 0.607 3.773 1.00 0.00 C ATOM 0 H LEU A 82 2.302 0.507 5.647 1.00 0.00 H new ATOM 0 HA LEU A 82 3.836 2.681 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.851 1.032 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.034 2.126 2.486 1.00 0.00 H new ATOM 0 HG LEU A 82 3.463 -0.559 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.689 -0.943 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.007 -0.437 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.336 0.730 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.879 -0.249 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.636 1.468 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.108 0.839 4.833 1.00 0.00 H new ATOM 1226 N VAL A 83 0.531 3.120 4.737 1.00 0.00 N ATOM 1227 CA VAL A 83 -0.572 4.101 4.615 1.00 0.00 C ATOM 1228 C VAL A 83 -0.343 5.348 5.505 1.00 0.00 C ATOM 1229 O VAL A 83 -0.797 6.463 5.205 1.00 0.00 O ATOM 1230 CB VAL A 83 -1.961 3.468 4.913 1.00 0.00 C ATOM 1231 CG1 VAL A 83 -1.911 2.773 6.211 1.00 0.00 C ATOM 1232 CG2 VAL A 83 -3.062 4.523 4.937 1.00 0.00 C ATOM 0 H VAL A 83 0.228 2.198 5.052 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.571 4.425 3.574 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.193 2.760 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.883 2.328 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.153 1.990 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.659 3.486 6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.019 4.046 5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.845 5.258 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.110 5.020 3.968 1.00 0.00 H new ATOM 1242 N GLU A 84 0.410 5.145 6.541 1.00 0.00 N ATOM 1243 CA GLU A 84 0.777 6.159 7.509 1.00 0.00 C ATOM 1244 C GLU A 84 1.456 7.348 6.815 1.00 0.00 C ATOM 1245 O GLU A 84 1.224 8.511 7.186 1.00 0.00 O ATOM 1246 CB GLU A 84 1.723 5.491 8.492 1.00 0.00 C ATOM 1247 CG GLU A 84 2.384 6.344 9.537 1.00 0.00 C ATOM 1248 CD GLU A 84 3.567 5.615 10.138 1.00 0.00 C ATOM 1249 OE1 GLU A 84 3.436 4.438 10.531 1.00 0.00 O1- ATOM 1250 OE2 GLU A 84 4.680 6.175 10.145 1.00 0.00 O ATOM 0 H GLU A 84 0.809 4.231 6.754 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.101 6.554 8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.168 4.706 9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.509 5.002 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.714 7.284 9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.667 6.595 10.319 1.00 0.00 H new ATOM 1257 N SER A 85 2.230 7.057 5.791 1.00 0.00 N ATOM 1258 CA SER A 85 2.949 8.066 5.072 1.00 0.00 C ATOM 1259 C SER A 85 2.072 8.683 3.972 1.00 0.00 C ATOM 1260 O SER A 85 2.332 9.803 3.520 1.00 0.00 O ATOM 1261 CB SER A 85 4.245 7.476 4.490 1.00 0.00 C ATOM 1262 OG SER A 85 5.073 8.485 3.909 1.00 0.00 O ATOM 0 H SER A 85 2.373 6.110 5.440 1.00 0.00 H new ATOM 0 HA SER A 85 3.217 8.866 5.762 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.796 6.962 5.278 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.998 6.730 3.735 1.00 0.00 H new ATOM 0 HG SER A 85 5.970 8.439 4.302 1.00 0.00 H new ATOM 1268 N ILE A 86 1.002 7.974 3.581 1.00 0.00 N ATOM 1269 CA ILE A 86 0.105 8.440 2.503 1.00 0.00 C ATOM 1270 C ILE A 86 -0.757 9.559 3.059 1.00 0.00 C ATOM 1271 O ILE A 86 -1.259 10.381 2.340 1.00 0.00 O ATOM 1272 CB ILE A 86 -0.868 7.345 1.996 1.00 0.00 C ATOM 1273 CG1 ILE A 86 -0.232 5.959 1.996 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -1.370 7.689 0.607 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.923 5.713 1.085 1.00 0.00 C ATOM 0 H ILE A 86 0.734 7.079 3.991 1.00 0.00 H new ATOM 0 HA ILE A 86 0.741 8.747 1.673 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.708 7.316 2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.094 5.743 3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.010 5.236 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.052 6.911 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.894 8.644 0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.525 7.759 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.264 4.684 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.614 5.880 0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.736 6.395 1.336 1.00 0.00 H new ATOM 1287 N ARG A 87 -0.866 9.578 4.387 1.00 0.00 N ATOM 1288 CA ARG A 87 -1.613 10.590 5.177 1.00 0.00 C ATOM 1289 C ARG A 87 -1.081 12.037 4.946 1.00 0.00 C ATOM 1290 O ARG A 87 -1.595 13.007 5.480 1.00 0.00 O ATOM 1291 CB ARG A 87 -1.610 10.205 6.669 1.00 0.00 C ATOM 1292 CG ARG A 87 -2.392 8.944 6.983 1.00 0.00 C ATOM 1293 CD ARG A 87 -2.429 8.681 8.480 1.00 0.00 C ATOM 1294 NE ARG A 87 -1.082 8.619 9.082 1.00 0.00 N ATOM 1295 CZ ARG A 87 -0.825 8.393 10.384 1.00 0.00 C ATOM 1296 NH1 ARG A 87 -1.825 8.103 11.228 1.00 0.00 N1+ ATOM 1297 NH2 ARG A 87 0.428 8.438 10.833 1.00 0.00 N ATOM 0 H ARG A 87 -0.426 8.870 4.975 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.645 10.594 4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.579 10.072 6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.025 11.031 7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.409 9.039 6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.938 8.094 6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.005 9.467 8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.949 7.742 8.667 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.284 8.758 8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.784 8.053 10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.627 7.932 12.214 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.193 8.644 10.190 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.623 8.267 11.819 1.00 0.00 H new ATOM 1311 N ARG A 88 -0.031 12.103 4.171 1.00 0.00 N ATOM 1312 CA ARG A 88 0.711 13.274 3.715 1.00 0.00 C ATOM 1313 C ARG A 88 -0.171 14.379 3.024 1.00 0.00 C ATOM 1314 O ARG A 88 0.375 15.399 2.635 1.00 0.00 O ATOM 1315 CB ARG A 88 1.784 12.797 2.729 1.00 0.00 C ATOM 1316 CG ARG A 88 3.019 13.677 2.633 1.00 0.00 C ATOM 1317 CD ARG A 88 3.816 13.636 3.935 1.00 0.00 C ATOM 1318 NE ARG A 88 4.243 12.258 4.291 1.00 0.00 N ATOM 1319 CZ ARG A 88 4.930 11.922 5.399 1.00 0.00 C ATOM 1320 NH1 ARG A 88 5.215 12.855 6.319 1.00 0.00 N1+ ATOM 1321 NH2 ARG A 88 5.323 10.659 5.588 1.00 0.00 N ATOM 0 H ARG A 88 0.379 11.248 3.796 1.00 0.00 H new ATOM 0 HA ARG A 88 1.136 13.747 4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.096 11.793 3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.335 12.721 1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.646 13.342 1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.724 14.703 2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.695 14.274 3.841 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.210 14.046 4.743 1.00 0.00 H new ATOM 0 HE ARG A 88 3.996 11.508 3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.911 13.819 6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.735 12.601 7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.103 9.947 4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.843 10.407 6.428 1.00 0.00 H new ATOM 1335 N GLU A 89 -1.493 14.125 2.827 1.00 0.00 N ATOM 1336 CA GLU A 89 -2.466 14.986 2.038 1.00 0.00 C ATOM 1337 C GLU A 89 -2.276 16.531 2.145 1.00 0.00 C ATOM 1338 O GLU A 89 -2.643 17.264 1.234 1.00 0.00 O ATOM 1339 CB GLU A 89 -3.938 14.584 2.313 1.00 0.00 C ATOM 1340 CG GLU A 89 -4.954 15.337 1.434 1.00 0.00 C ATOM 1341 CD GLU A 89 -6.345 14.745 1.432 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -7.064 14.892 2.426 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -6.735 14.156 0.388 1.00 0.00 O1- ATOM 0 H GLU A 89 -1.941 13.296 3.217 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.212 14.763 1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.051 13.512 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.168 14.771 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.014 16.371 1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.582 15.360 0.410 1.00 0.00 H new ATOM 1350 N LYS A 90 -1.653 17.024 3.199 1.00 0.00 N ATOM 1351 CA LYS A 90 -1.335 18.457 3.287 1.00 0.00 C ATOM 1352 C LYS A 90 -0.305 18.886 2.193 1.00 0.00 C ATOM 1353 O LYS A 90 0.071 20.065 2.113 1.00 0.00 O ATOM 1354 CB LYS A 90 -0.749 18.821 4.650 1.00 0.00 C ATOM 1355 CG LYS A 90 0.530 18.060 4.998 1.00 0.00 C ATOM 1356 CD LYS A 90 1.464 18.874 5.896 1.00 0.00 C ATOM 1357 CE LYS A 90 2.325 19.895 5.101 1.00 0.00 C ATOM 1358 NZ LYS A 90 1.538 20.920 4.344 1.00 0.00 N1+ ATOM 0 H LYS A 90 -1.356 16.470 4.002 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.277 18.983 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.541 19.891 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.496 18.627 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.270 17.127 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.053 17.794 4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.872 19.407 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.122 18.195 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.990 20.408 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.956 19.349 4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.178 21.664 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.066 20.467 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.823 21.341 4.971 1.00 0.00 H new ATOM 1372 N THR A 91 0.213 17.918 1.473 1.00 0.00 N ATOM 1373 CA THR A 91 1.140 18.111 0.376 1.00 0.00 C ATOM 1374 C THR A 91 0.431 17.767 -0.971 1.00 0.00 C ATOM 1375 O THR A 91 1.047 17.777 -2.022 1.00 0.00 O ATOM 1376 CB THR A 91 2.352 17.216 0.575 1.00 0.00 C ATOM 1377 OG1 THR A 91 2.796 17.317 1.958 1.00 0.00 O ATOM 1378 CG2 THR A 91 3.519 17.615 -0.328 1.00 0.00 C ATOM 0 H THR A 91 -0.007 16.936 1.640 1.00 0.00 H new ATOM 0 HA THR A 91 1.467 19.150 0.349 1.00 0.00 H new ATOM 0 HB THR A 91 2.052 16.199 0.323 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.197 16.797 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.362 16.947 -0.150 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.213 17.543 -1.372 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.816 18.640 -0.107 1.00 0.00 H new ATOM 1386 N GLN A 92 -0.877 17.438 -0.858 1.00 0.00 N ATOM 1387 CA GLN A 92 -1.869 17.166 -1.950 1.00 0.00 C ATOM 1388 C GLN A 92 -2.518 15.787 -1.914 1.00 0.00 C ATOM 1389 O GLN A 92 -1.928 14.801 -1.473 1.00 0.00 O ATOM 1390 CB GLN A 92 -1.529 17.646 -3.396 1.00 0.00 C ATOM 1391 CG GLN A 92 -1.178 19.139 -3.517 1.00 0.00 C ATOM 1392 CD GLN A 92 -2.031 20.034 -2.641 1.00 0.00 C ATOM 1393 OE1 GLN A 92 -1.589 20.235 -1.412 1.00 0.00 O flip ATOM 1394 NE2 GLN A 92 -3.075 20.513 -3.043 1.00 0.00 N flip ATOM 0 H GLN A 92 -1.308 17.346 0.062 1.00 0.00 H new ATOM 0 HA GLN A 92 -2.642 17.875 -1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.690 17.059 -3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.380 17.434 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.129 19.280 -3.255 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.291 19.447 -4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.383 20.335 -3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.642 21.092 -2.424 1.00 0.00 H new ATOM 1403 N ASN A 93 -3.734 15.752 -2.435 1.00 0.00 N ATOM 1404 CA ASN A 93 -4.665 14.605 -2.381 1.00 0.00 C ATOM 1405 C ASN A 93 -4.363 13.518 -3.427 1.00 0.00 C ATOM 1406 O ASN A 93 -4.998 12.457 -3.427 1.00 0.00 O ATOM 1407 CB ASN A 93 -6.117 15.103 -2.553 1.00 0.00 C ATOM 1408 CG ASN A 93 -6.429 15.636 -3.951 1.00 0.00 C ATOM 1409 OD1 ASN A 93 -5.564 16.161 -4.645 1.00 0.00 O ATOM 1410 ND2 ASN A 93 -7.667 15.509 -4.367 1.00 0.00 N ATOM 0 H ASN A 93 -4.129 16.551 -2.932 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.530 14.142 -1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.800 14.285 -2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.309 15.890 -1.824 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.932 15.851 -5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.364 15.068 -3.767 1.00 0.00 H new ATOM 1417 N PHE A 94 -3.419 13.810 -4.316 1.00 0.00 N ATOM 1418 CA PHE A 94 -3.016 12.963 -5.476 1.00 0.00 C ATOM 1419 C PHE A 94 -2.927 11.432 -5.165 1.00 0.00 C ATOM 1420 O PHE A 94 -3.204 10.586 -6.048 1.00 0.00 O ATOM 1421 CB PHE A 94 -1.668 13.488 -6.024 1.00 0.00 C ATOM 1422 CG PHE A 94 -1.123 12.759 -7.232 1.00 0.00 C ATOM 1423 CD1 PHE A 94 -1.618 13.019 -8.499 1.00 0.00 C ATOM 1424 CD2 PHE A 94 -0.101 11.829 -7.095 1.00 0.00 C ATOM 1425 CE1 PHE A 94 -1.109 12.365 -9.605 1.00 0.00 C ATOM 1426 CE2 PHE A 94 0.410 11.172 -8.196 1.00 0.00 C ATOM 1427 CZ PHE A 94 -0.093 11.439 -9.452 1.00 0.00 C ATOM 0 H PHE A 94 -2.881 14.675 -4.262 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.806 13.048 -6.222 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.786 14.541 -6.281 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.927 13.436 -5.226 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.411 13.741 -8.624 1.00 0.00 H new ATOM 0 HD2 PHE A 94 0.299 11.617 -6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.504 12.577 -10.588 1.00 0.00 H new ATOM 0 HE2 PHE A 94 1.203 10.449 -8.074 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.306 10.926 -10.315 1.00 0.00 H new ATOM 1437 N LEU A 95 -2.509 11.093 -3.968 1.00 0.00 N ATOM 1438 CA LEU A 95 -2.389 9.694 -3.528 1.00 0.00 C ATOM 1439 C LEU A 95 -3.668 9.202 -2.865 1.00 0.00 C ATOM 1440 O LEU A 95 -4.370 8.326 -3.367 1.00 0.00 O ATOM 1441 CB LEU A 95 -1.276 9.632 -2.480 1.00 0.00 C ATOM 1442 CG LEU A 95 0.085 9.035 -2.885 1.00 0.00 C ATOM 1443 CD1 LEU A 95 -0.001 7.536 -2.930 1.00 0.00 C ATOM 1444 CD2 LEU A 95 0.513 9.521 -4.238 1.00 0.00 C ATOM 0 H LEU A 95 -2.238 11.772 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.183 9.072 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.100 10.647 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.651 9.058 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 95 0.814 9.354 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.967 7.125 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.278 7.158 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.754 7.236 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.477 9.081 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.229 9.228 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.602 10.607 -4.223 1.00 0.00 H new ATOM 1456 N ILE A 96 -3.966 9.870 -1.798 1.00 0.00 N ATOM 1457 CA ILE A 96 -5.005 9.552 -0.831 1.00 0.00 C ATOM 1458 C ILE A 96 -6.406 9.506 -1.388 1.00 0.00 C ATOM 1459 O ILE A 96 -7.151 8.577 -1.106 1.00 0.00 O ATOM 1460 CB ILE A 96 -4.999 10.566 0.349 1.00 0.00 C ATOM 1461 CG1 ILE A 96 -4.263 11.897 -0.032 1.00 0.00 C ATOM 1462 CG2 ILE A 96 -4.447 9.941 1.625 1.00 0.00 C ATOM 1463 CD1 ILE A 96 -2.752 11.920 0.164 1.00 0.00 C ATOM 0 H ILE A 96 -3.460 10.719 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.752 8.545 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.036 10.833 0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.474 12.116 -1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.695 12.706 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.459 10.680 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.064 9.088 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.423 9.608 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.361 12.893 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.519 11.742 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.294 11.142 -0.447 1.00 0.00 H new ATOM 1475 N GLN A 97 -6.750 10.463 -2.200 1.00 0.00 N ATOM 1476 CA GLN A 97 -8.128 10.635 -2.592 1.00 0.00 C ATOM 1477 C GLN A 97 -8.657 9.525 -3.497 1.00 0.00 C ATOM 1478 O GLN A 97 -9.861 9.288 -3.545 1.00 0.00 O ATOM 1479 CB GLN A 97 -8.339 12.021 -3.162 1.00 0.00 C ATOM 1480 CG GLN A 97 -9.625 12.688 -2.690 1.00 0.00 C ATOM 1481 CD GLN A 97 -9.886 12.459 -1.195 1.00 0.00 C ATOM 1482 OE1 GLN A 97 -10.592 11.529 -0.827 1.00 0.00 O ATOM 1483 NE2 GLN A 97 -9.242 13.205 -0.341 1.00 0.00 N ATOM 0 H GLN A 97 -6.101 11.137 -2.605 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.734 10.545 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.492 12.650 -2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.351 11.959 -4.250 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.570 13.759 -2.887 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -10.465 12.301 -3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.660 13.974 -0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -9.320 13.019 0.659 1.00 0.00 H new ATOM 1492 N LYS A 98 -7.773 8.816 -4.187 1.00 0.00 N ATOM 1493 CA LYS A 98 -8.246 7.699 -4.989 1.00 0.00 C ATOM 1494 C LYS A 98 -8.463 6.506 -4.075 1.00 0.00 C ATOM 1495 O LYS A 98 -9.322 5.679 -4.322 1.00 0.00 O ATOM 1496 CB LYS A 98 -7.293 7.326 -6.139 1.00 0.00 C ATOM 1497 CG LYS A 98 -7.881 6.274 -7.107 1.00 0.00 C ATOM 1498 CD LYS A 98 -9.095 6.833 -7.868 1.00 0.00 C ATOM 1499 CE LYS A 98 -9.765 5.795 -8.784 1.00 0.00 C ATOM 1500 NZ LYS A 98 -10.503 4.750 -8.044 1.00 0.00 N1+ ATOM 0 H LYS A 98 -6.767 8.984 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.180 8.002 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.043 8.226 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.362 6.943 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.115 5.962 -7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.177 5.387 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.828 7.201 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.779 7.687 -8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.452 6.306 -9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.003 5.322 -9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.067 4.185 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.828 4.131 -7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.134 5.197 -7.349 1.00 0.00 H new ATOM 1514 N ILE A 99 -7.704 6.471 -2.989 1.00 0.00 N ATOM 1515 CA ILE A 99 -7.794 5.404 -2.012 1.00 0.00 C ATOM 1516 C ILE A 99 -9.155 5.480 -1.334 1.00 0.00 C ATOM 1517 O ILE A 99 -9.809 4.454 -1.107 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.668 5.515 -0.942 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -5.284 5.535 -1.619 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -6.760 4.366 0.063 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -4.116 5.641 -0.655 1.00 0.00 C ATOM 0 H ILE A 99 -7.009 7.183 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.673 4.449 -2.523 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.801 6.451 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -5.169 4.627 -2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.244 6.375 -2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.964 4.464 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.727 4.399 0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.655 3.416 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.181 5.648 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.202 6.563 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.125 4.788 0.023 1.00 0.00 H new ATOM 1533 N THR A 100 -9.569 6.700 -1.024 1.00 0.00 N ATOM 1534 CA THR A 100 -10.870 6.962 -0.463 1.00 0.00 C ATOM 1535 C THR A 100 -11.951 6.469 -1.435 1.00 0.00 C ATOM 1536 O THR A 100 -12.849 5.715 -1.050 1.00 0.00 O ATOM 1537 CB THR A 100 -11.046 8.474 -0.252 1.00 0.00 C ATOM 1538 OG1 THR A 100 -9.879 9.003 0.379 1.00 0.00 O ATOM 1539 CG2 THR A 100 -12.259 8.765 0.624 1.00 0.00 C ATOM 0 H THR A 100 -9.001 7.537 -1.159 1.00 0.00 H new ATOM 0 HA THR A 100 -10.961 6.444 0.491 1.00 0.00 H new ATOM 0 HB THR A 100 -11.196 8.942 -1.225 1.00 0.00 H new ATOM 0 HG1 THR A 100 -9.792 9.954 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 100 -12.361 9.842 0.758 1.00 0.00 H new ATOM 0 HG22 THR A 100 -13.156 8.372 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.128 8.289 1.596 1.00 0.00 H new ATOM 1547 N ASP A 101 -11.814 6.878 -2.697 1.00 0.00 N ATOM 1548 CA ASP A 101 -12.741 6.504 -3.777 1.00 0.00 C ATOM 1549 C ASP A 101 -12.882 4.988 -3.886 1.00 0.00 C ATOM 1550 O ASP A 101 -14.010 4.465 -3.939 1.00 0.00 O ATOM 1551 CB ASP A 101 -12.273 7.101 -5.105 1.00 0.00 C ATOM 1552 CG ASP A 101 -13.103 6.647 -6.287 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -14.197 7.164 -6.483 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -12.614 5.786 -7.047 1.00 0.00 O1- ATOM 0 H ASP A 101 -11.053 7.483 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 101 -13.724 6.910 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -12.309 8.188 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.232 6.826 -5.273 1.00 0.00 H new ATOM 1559 N GLU A 102 -11.732 4.283 -3.867 1.00 0.00 N ATOM 1560 CA GLU A 102 -11.707 2.818 -3.877 1.00 0.00 C ATOM 1561 C GLU A 102 -12.593 2.286 -2.766 1.00 0.00 C ATOM 1562 O GLU A 102 -13.607 1.657 -3.019 1.00 0.00 O ATOM 1563 CB GLU A 102 -10.294 2.268 -3.625 1.00 0.00 C ATOM 1564 CG GLU A 102 -9.245 2.559 -4.675 1.00 0.00 C ATOM 1565 CD GLU A 102 -9.531 1.929 -6.013 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -9.779 0.713 -6.066 1.00 0.00 O1- ATOM 1567 OE2 GLU A 102 -9.491 2.656 -7.025 1.00 0.00 O ATOM 0 H GLU A 102 -10.808 4.714 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.054 2.501 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -9.940 2.666 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.367 1.187 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.162 3.638 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.278 2.205 -4.317 1.00 0.00 H new ATOM 1574 N VAL A 103 -12.237 2.626 -1.537 1.00 0.00 N ATOM 1575 CA VAL A 103 -12.914 2.124 -0.346 1.00 0.00 C ATOM 1576 C VAL A 103 -14.423 2.413 -0.379 1.00 0.00 C ATOM 1577 O VAL A 103 -15.238 1.580 0.040 1.00 0.00 O ATOM 1578 CB VAL A 103 -12.258 2.687 0.954 1.00 0.00 C ATOM 1579 CG1 VAL A 103 -12.977 2.217 2.210 1.00 0.00 C ATOM 1580 CG2 VAL A 103 -10.798 2.283 1.015 1.00 0.00 C ATOM 0 H VAL A 103 -11.466 3.262 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 103 -12.795 1.040 -0.340 1.00 0.00 H new ATOM 0 HB VAL A 103 -12.340 3.773 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -12.485 2.634 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.014 2.551 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -12.948 1.129 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.348 2.680 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.721 1.196 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.273 2.682 0.147 1.00 0.00 H new ATOM 1590 N LEU A 104 -14.786 3.554 -0.920 1.00 0.00 N ATOM 1591 CA LEU A 104 -16.174 3.913 -1.036 1.00 0.00 C ATOM 1592 C LEU A 104 -16.925 3.034 -2.050 1.00 0.00 C ATOM 1593 O LEU A 104 -17.976 2.462 -1.726 1.00 0.00 O ATOM 1594 CB LEU A 104 -16.375 5.414 -1.323 1.00 0.00 C ATOM 1595 CG LEU A 104 -16.473 6.363 -0.099 1.00 0.00 C ATOM 1596 CD1 LEU A 104 -15.267 6.259 0.824 1.00 0.00 C ATOM 1597 CD2 LEU A 104 -16.664 7.798 -0.560 1.00 0.00 C ATOM 0 H LEU A 104 -14.135 4.248 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 104 -16.616 3.718 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -15.548 5.752 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -17.286 5.526 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.342 6.048 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -15.390 6.945 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -15.183 5.239 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.363 6.519 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.731 8.453 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.816 8.098 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -17.582 7.874 -1.143 1.00 0.00 H new ATOM 1609 N LYS A 105 -16.384 2.877 -3.258 1.00 0.00 N ATOM 1610 CA LYS A 105 -17.063 2.063 -4.268 1.00 0.00 C ATOM 1611 C LYS A 105 -16.995 0.582 -3.891 1.00 0.00 C ATOM 1612 O LYS A 105 -17.907 -0.211 -4.218 1.00 0.00 O ATOM 1613 CB LYS A 105 -16.485 2.268 -5.682 1.00 0.00 C ATOM 1614 CG LYS A 105 -17.544 2.598 -6.764 1.00 0.00 C ATOM 1615 CD LYS A 105 -18.696 1.566 -6.849 1.00 0.00 C ATOM 1616 CE LYS A 105 -18.238 0.177 -7.307 1.00 0.00 C ATOM 1617 NZ LYS A 105 -19.364 -0.815 -7.278 1.00 0.00 N1+ ATOM 0 H LYS A 105 -15.501 3.290 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 105 -18.102 2.391 -4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.753 3.075 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -15.950 1.365 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -17.965 3.582 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -17.051 2.659 -7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -19.169 1.480 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -19.455 1.936 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.835 0.241 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.430 -0.171 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -19.017 -1.743 -7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -19.732 -0.895 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -20.124 -0.496 -7.911 1.00 0.00 H new ATOM 1631 N LEU A 106 -15.933 0.209 -3.205 1.00 0.00 N ATOM 1632 CA LEU A 106 -15.747 -1.149 -2.731 1.00 0.00 C ATOM 1633 C LEU A 106 -16.759 -1.542 -1.661 1.00 0.00 C ATOM 1634 O LEU A 106 -16.876 -2.697 -1.368 1.00 0.00 O ATOM 1635 CB LEU A 106 -14.305 -1.427 -2.235 1.00 0.00 C ATOM 1636 CG LEU A 106 -13.228 -1.900 -3.263 1.00 0.00 C ATOM 1637 CD1 LEU A 106 -13.567 -3.255 -3.835 1.00 0.00 C ATOM 1638 CD2 LEU A 106 -13.016 -0.906 -4.381 1.00 0.00 C ATOM 0 H LEU A 106 -15.171 0.841 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 106 -15.921 -1.777 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.936 -0.514 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.366 -2.183 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 106 -12.294 -1.976 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -12.797 -3.553 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.620 -3.987 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -14.530 -3.205 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.258 -1.285 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.952 -0.760 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.685 0.045 -3.964 1.00 0.00 H new ATOM 1650 N ARG A 107 -17.532 -0.590 -1.102 1.00 0.00 N ATOM 1651 CA ARG A 107 -18.534 -0.929 -0.055 1.00 0.00 C ATOM 1652 C ARG A 107 -19.591 -1.903 -0.597 1.00 0.00 C ATOM 1653 O ARG A 107 -20.260 -2.587 0.153 1.00 0.00 O ATOM 1654 CB ARG A 107 -19.193 0.324 0.529 1.00 0.00 C ATOM 1655 CG ARG A 107 -20.006 0.092 1.822 1.00 0.00 C ATOM 1656 CD ARG A 107 -19.147 -0.626 2.861 1.00 0.00 C ATOM 1657 NE ARG A 107 -19.647 -0.531 4.247 1.00 0.00 N ATOM 1658 CZ ARG A 107 -19.326 -1.382 5.241 1.00 0.00 C ATOM 1659 NH1 ARG A 107 -18.466 -2.374 5.026 1.00 0.00 N1+ ATOM 1660 NH2 ARG A 107 -19.789 -1.191 6.462 1.00 0.00 N ATOM 0 H ARG A 107 -17.490 0.399 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 107 -17.999 -1.424 0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -18.418 1.062 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -19.853 0.754 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -20.350 1.046 2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -20.894 -0.500 1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -19.073 -1.678 2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.138 -0.216 2.824 1.00 0.00 H new ATOM 0 HE ARG A 107 -20.282 0.236 4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.045 -2.494 4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.227 -3.015 5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -20.395 -0.394 6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -19.541 -1.840 7.209 1.00 0.00 H new ATOM 1674 N ASN A 108 -19.689 -1.959 -1.914 1.00 0.00 N ATOM 1675 CA ASN A 108 -20.540 -2.919 -2.641 1.00 0.00 C ATOM 1676 C ASN A 108 -20.075 -4.334 -2.271 1.00 0.00 C ATOM 1677 O ASN A 108 -20.858 -5.218 -2.015 1.00 0.00 O ATOM 1678 CB ASN A 108 -20.300 -2.678 -4.145 1.00 0.00 C ATOM 1679 CG ASN A 108 -21.152 -3.397 -5.131 1.00 0.00 C ATOM 1680 OD1 ASN A 108 -21.344 -2.866 -6.239 1.00 0.00 O ATOM 1681 ND2 ASN A 108 -21.647 -4.527 -4.826 1.00 0.00 N ATOM 0 H ASN A 108 -19.174 -1.331 -2.531 1.00 0.00 H new ATOM 0 HA ASN A 108 -21.595 -2.802 -2.395 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -20.411 -1.610 -4.330 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.262 -2.932 -4.358 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -22.224 -5.030 -5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -21.467 -4.931 -3.907 1.00 0.00 H new ATOM 1688 N ILE A 109 -18.772 -4.459 -2.172 1.00 0.00 N ATOM 1689 CA ILE A 109 -18.054 -5.677 -1.867 1.00 0.00 C ATOM 1690 C ILE A 109 -18.419 -6.245 -0.487 1.00 0.00 C ATOM 1691 O ILE A 109 -18.295 -7.440 -0.242 1.00 0.00 O ATOM 1692 CB ILE A 109 -16.512 -5.531 -2.153 1.00 0.00 C ATOM 1693 CG1 ILE A 109 -16.199 -5.725 -3.660 1.00 0.00 C ATOM 1694 CG2 ILE A 109 -15.656 -6.441 -1.319 1.00 0.00 C ATOM 1695 CD1 ILE A 109 -16.858 -4.733 -4.607 1.00 0.00 C ATOM 0 H ILE A 109 -18.146 -3.666 -2.310 1.00 0.00 H new ATOM 0 HA ILE A 109 -18.389 -6.450 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 109 -16.255 -4.512 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -15.119 -5.667 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -16.504 -6.731 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -14.607 -6.285 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -15.813 -6.221 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -15.926 -7.478 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -16.570 -4.963 -5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -17.941 -4.802 -4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -16.535 -3.722 -4.357 1.00 0.00 H new ATOM 1707 N LYS A 110 -18.846 -5.366 0.419 1.00 0.00 N ATOM 1708 CA LYS A 110 -19.370 -5.774 1.733 1.00 0.00 C ATOM 1709 C LYS A 110 -20.446 -6.856 1.561 1.00 0.00 C ATOM 1710 O LYS A 110 -20.466 -7.842 2.304 1.00 0.00 O ATOM 1711 CB LYS A 110 -19.986 -4.556 2.447 1.00 0.00 C ATOM 1712 CG LYS A 110 -20.806 -4.861 3.707 1.00 0.00 C ATOM 1713 CD LYS A 110 -19.960 -5.414 4.832 1.00 0.00 C ATOM 1714 CE LYS A 110 -20.803 -5.678 6.073 1.00 0.00 C ATOM 1715 NZ LYS A 110 -19.958 -5.996 7.244 1.00 0.00 N1+ ATOM 0 H LYS A 110 -18.841 -4.357 0.270 1.00 0.00 H new ATOM 0 HA LYS A 110 -18.550 -6.174 2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -19.181 -3.873 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -20.626 -4.030 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -21.301 -3.950 4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -21.590 -5.577 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -19.481 -6.339 4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -19.164 -4.710 5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -21.415 -4.803 6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -21.487 -6.505 5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -20.488 -6.606 7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -19.099 -6.491 6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -19.692 -5.116 7.729 1.00 0.00 H new ATOM 1729 N LEU A 111 -21.285 -6.677 0.551 1.00 0.00 N ATOM 1730 CA LEU A 111 -22.381 -7.586 0.270 1.00 0.00 C ATOM 1731 C LEU A 111 -21.846 -8.893 -0.280 1.00 0.00 C ATOM 1732 O LEU A 111 -22.372 -9.941 -0.007 1.00 0.00 O ATOM 1733 CB LEU A 111 -23.339 -6.957 -0.747 1.00 0.00 C ATOM 1734 CG LEU A 111 -23.930 -5.592 -0.377 1.00 0.00 C ATOM 1735 CD1 LEU A 111 -24.762 -5.050 -1.528 1.00 0.00 C ATOM 1736 CD2 LEU A 111 -24.772 -5.689 0.890 1.00 0.00 C ATOM 0 H LEU A 111 -21.222 -5.893 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 111 -22.919 -7.780 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -22.811 -6.854 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -24.163 -7.651 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 111 -23.107 -4.903 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -25.176 -4.080 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -24.133 -4.938 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -25.575 -5.742 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -25.180 -4.708 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -25.589 -6.393 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -24.150 -6.036 1.715 1.00 0.00 H new ATOM 1748 N GLU A 112 -20.774 -8.811 -1.032 1.00 0.00 N ATOM 1749 CA GLU A 112 -20.164 -9.979 -1.655 1.00 0.00 C ATOM 1750 C GLU A 112 -19.114 -10.650 -0.754 1.00 0.00 C ATOM 1751 O GLU A 112 -18.453 -11.600 -1.150 1.00 0.00 O ATOM 1752 CB GLU A 112 -19.616 -9.631 -3.047 1.00 0.00 C ATOM 1753 CG GLU A 112 -20.687 -9.563 -4.159 1.00 0.00 C ATOM 1754 CD GLU A 112 -21.883 -8.676 -3.832 1.00 0.00 C ATOM 1755 OE1 GLU A 112 -21.781 -7.444 -3.988 1.00 0.00 O1- ATOM 1756 OE2 GLU A 112 -22.939 -9.232 -3.384 1.00 0.00 O ATOM 0 H GLU A 112 -20.294 -7.934 -1.234 1.00 0.00 H new ATOM 0 HA GLU A 112 -20.947 -10.725 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -19.105 -8.669 -2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -18.868 -10.374 -3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -20.220 -9.199 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -21.044 -10.572 -4.364 1.00 0.00 H new ATOM 1763 N HIS A 113 -18.960 -10.133 0.456 1.00 0.00 N ATOM 1764 CA HIS A 113 -18.136 -10.790 1.482 1.00 0.00 C ATOM 1765 C HIS A 113 -18.973 -11.840 2.186 1.00 0.00 C ATOM 1766 O HIS A 113 -18.467 -12.717 2.868 1.00 0.00 O ATOM 1767 CB HIS A 113 -17.532 -9.801 2.499 1.00 0.00 C ATOM 1768 CG HIS A 113 -16.252 -9.134 2.055 1.00 0.00 C ATOM 1769 ND1 HIS A 113 -15.574 -8.215 2.838 1.00 0.00 N ATOM 1770 CD2 HIS A 113 -15.490 -9.298 0.938 1.00 0.00 C ATOM 1771 CE1 HIS A 113 -14.464 -7.851 2.222 1.00 0.00 C ATOM 1772 NE2 HIS A 113 -14.393 -8.490 1.081 1.00 0.00 N ATOM 0 H HIS A 113 -19.392 -9.260 0.760 1.00 0.00 H new ATOM 0 HA HIS A 113 -17.288 -11.256 0.980 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -18.270 -9.029 2.716 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -17.343 -10.332 3.432 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -15.709 -9.942 0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -13.737 -7.145 2.596 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -13.637 -8.400 0.403 1.00 0.00 H new ATOM 1781 N LEU A 114 -20.249 -11.678 2.027 1.00 0.00 N ATOM 1782 CA LEU A 114 -21.271 -12.555 2.512 1.00 0.00 C ATOM 1783 C LEU A 114 -22.215 -12.732 1.334 1.00 0.00 C ATOM 1784 O LEU A 114 -21.760 -12.607 0.182 1.00 0.00 O ATOM 1785 CB LEU A 114 -21.935 -11.929 3.787 1.00 0.00 C ATOM 1786 CG LEU A 114 -22.360 -10.427 3.748 1.00 0.00 C ATOM 1787 CD1 LEU A 114 -23.641 -10.187 2.960 1.00 0.00 C ATOM 1788 CD2 LEU A 114 -22.490 -9.874 5.159 1.00 0.00 C ATOM 0 H LEU A 114 -20.630 -10.878 1.522 1.00 0.00 H new ATOM 0 HA LEU A 114 -20.911 -13.530 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -22.822 -12.518 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -21.240 -12.055 4.618 1.00 0.00 H new ATOM 0 HG LEU A 114 -21.568 -9.894 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -23.881 -9.124 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -23.502 -10.517 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -24.458 -10.749 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -22.787 -8.826 5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -23.244 -10.441 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -21.532 -9.958 5.672 1.00 0.00 H new ATOM 1800 N LYS A 115 -23.456 -13.036 1.532 1.00 0.00 N ATOM 1801 CA LYS A 115 -24.310 -13.041 0.407 1.00 0.00 C ATOM 1802 C LYS A 115 -25.601 -12.367 0.712 1.00 0.00 C ATOM 1803 O LYS A 115 -26.338 -12.877 1.546 1.00 0.00 O ATOM 1804 CB LYS A 115 -24.512 -14.390 -0.231 1.00 0.00 C ATOM 1805 CG LYS A 115 -25.082 -14.307 -1.659 1.00 0.00 C ATOM 1806 CD LYS A 115 -24.092 -13.652 -2.676 1.00 0.00 C ATOM 1807 CE LYS A 115 -24.337 -12.135 -2.999 1.00 0.00 C ATOM 1808 NZ LYS A 115 -24.037 -11.172 -1.901 1.00 0.00 N1+ ATOM 1809 OXT LYS A 115 -25.860 -11.327 0.072 1.00 0.00 O1- ATOM 0 H LYS A 115 -23.882 -13.274 2.428 1.00 0.00 H new ATOM 0 HA LYS A 115 -23.787 -12.462 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -23.559 -14.918 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -25.187 -14.980 0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -25.335 -15.310 -2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -26.008 -13.733 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -23.079 -13.761 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -24.138 -14.213 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -23.732 -11.867 -3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -25.380 -12.010 -3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -23.886 -10.224 -2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -24.836 -11.144 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -23.179 -11.475 -1.398 1.00 0.00 H new TER 1823 LYS A 115