USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 964 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 NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Set 1.1: A 102 GLN : amide:sc= -0.538 K(o=-0.99,f=-5.2!) USER MOD Set 1.2: A 105 GLN : amide:sc= -0.456 X(o=-0.99,f=-1) USER MOD Set 2.1: A 37 ASN : amide:sc= 1.11 K(o=0.7,f=-6) USER MOD Set 2.2: A 81 HIS : +bothHN:sc= 1.52 K(o=0.7,f=-12!) USER MOD Set 2.3: A 100 HIS : no HD1:sc= -1.93! C(o=0.7!,f=-7.1!) USER MOD Set 3.1: A 89 ASN : amide:sc= -0.559 K(o=-0.42,f=-3.4!) USER MOD Set 3.2: A 92 GLN : amide:sc= 0.141 K(o=-0.42,f=-5.1!) USER MOD Set 4.1: A 65 GLN : amide:sc= 1.53 K(o=2.5,f=-8.1!) USER MOD Set 4.2: A 69 LYS NZ :NH3+ 155:sc= 1.01 (180deg=-0.444) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.216 (180deg=-0.915) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.105 (180deg=-0.0391) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.231 K(o=-0.23,f=-5.4!) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 168:sc=-0.00421 (180deg=-0.139) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0.958) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= 1.24 (180deg=0.946) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.347 F(o=-0.89,f=-0.35) USER MOD Single : A 42 LYS NZ :NH3+ -121:sc= -1.81 (180deg=-4.34!) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 1.1 (180deg=0.0174!) USER MOD Single : A 46 GLN : amide:sc= -0.0862 X(o=-0.086,f=-0.55) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= 1.27 (180deg=1.13) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.09) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.996 K(o=1,f=-6.1!) USER MOD Single : A 63 LYS NZ :NH3+ -113:sc= 0.36 (180deg=0.0843) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0362 (180deg=-0.23) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.722 K(o=-0.72,f=-3.5!) USER MOD Single : A 95 SER OG : rot 71:sc= 1.23 USER MOD Single : A 98 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : A 113 LYS NZ :NH3+ 171:sc= 2.09 (180deg=1.65) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN :FLIP amide:sc= -0.376 F(o=-3.4!,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.655 -19.263 1.903 1.00 0.00 N ATOM 2 CA MET A 1 -12.796 -19.121 0.973 1.00 0.00 C ATOM 3 C MET A 1 -12.941 -17.674 0.526 1.00 0.00 C ATOM 4 O MET A 1 -12.098 -16.835 0.844 1.00 0.00 O ATOM 5 CB MET A 1 -14.095 -19.590 1.631 1.00 0.00 C ATOM 6 CG MET A 1 -14.139 -21.081 1.922 1.00 0.00 C ATOM 7 SD MET A 1 -15.703 -21.590 2.665 1.00 0.00 S ATOM 8 CE MET A 1 -15.707 -20.583 4.146 1.00 0.00 C ATOM 0 H1 MET A 1 -10.954 -19.914 1.496 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.215 -18.333 2.057 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.992 -19.641 2.811 1.00 0.00 H new ATOM 0 HA MET A 1 -12.599 -19.746 0.102 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.235 -19.044 2.564 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.932 -19.332 0.982 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.983 -21.634 0.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.320 -21.342 2.592 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.365 -21.032 4.890 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.695 -20.521 4.547 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.063 -19.582 3.904 1.00 0.00 H new ATOM 20 N ASP A 2 -14.016 -17.405 -0.216 1.00 0.00 N ATOM 21 CA ASP A 2 -14.309 -16.078 -0.752 1.00 0.00 C ATOM 22 C ASP A 2 -13.285 -15.703 -1.824 1.00 0.00 C ATOM 23 O ASP A 2 -12.469 -16.533 -2.232 1.00 0.00 O ATOM 24 CB ASP A 2 -14.360 -15.015 0.356 1.00 0.00 C ATOM 25 CG ASP A 2 -15.387 -13.933 0.069 1.00 0.00 C ATOM 26 OD1 ASP A 2 -15.370 -13.366 -1.045 1.00 0.00 O ATOM 27 OD2 ASP A 2 -16.218 -13.651 0.956 1.00 0.00 O ATOM 0 H ASP A 2 -14.712 -18.108 -0.463 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.298 -16.112 -1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.596 -15.494 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.376 -14.559 0.465 1.00 0.00 H new ATOM 32 N GLU A 3 -13.327 -14.464 -2.282 1.00 0.00 N ATOM 33 CA GLU A 3 -12.543 -14.056 -3.436 1.00 0.00 C ATOM 34 C GLU A 3 -11.819 -12.730 -3.191 1.00 0.00 C ATOM 35 O GLU A 3 -10.593 -12.674 -3.255 1.00 0.00 O ATOM 36 CB GLU A 3 -13.473 -13.951 -4.644 1.00 0.00 C ATOM 37 CG GLU A 3 -12.777 -13.677 -5.960 1.00 0.00 C ATOM 38 CD GLU A 3 -13.751 -13.719 -7.114 1.00 0.00 C ATOM 39 OE1 GLU A 3 -14.852 -13.142 -6.984 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.444 -14.344 -8.145 1.00 0.00 O ATOM 0 H GLU A 3 -13.896 -13.723 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.772 -14.804 -3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.036 -14.880 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.197 -13.157 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.296 -12.700 -5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.990 -14.414 -6.118 1.00 0.00 H new ATOM 47 N LEU A 4 -12.589 -11.676 -2.904 1.00 0.00 N ATOM 48 CA LEU A 4 -12.039 -10.331 -2.692 1.00 0.00 C ATOM 49 C LEU A 4 -11.262 -9.854 -3.922 1.00 0.00 C ATOM 50 O LEU A 4 -10.031 -9.824 -3.926 1.00 0.00 O ATOM 51 CB LEU A 4 -11.141 -10.267 -1.440 1.00 0.00 C ATOM 52 CG LEU A 4 -11.856 -10.383 -0.085 1.00 0.00 C ATOM 53 CD1 LEU A 4 -13.034 -9.425 -0.010 1.00 0.00 C ATOM 54 CD2 LEU A 4 -12.304 -11.812 0.181 1.00 0.00 C ATOM 0 H LEU A 4 -13.604 -11.728 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.886 -9.664 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.402 -11.066 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.594 -9.325 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.143 -10.107 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.524 -9.526 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.679 -8.402 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.745 -9.660 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.807 -11.862 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.992 -12.130 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.435 -12.470 0.190 1.00 0.00 H new ATOM 66 N ARG A 5 -11.995 -9.475 -4.963 1.00 0.00 N ATOM 67 CA ARG A 5 -11.390 -9.117 -6.247 1.00 0.00 C ATOM 68 C ARG A 5 -10.590 -7.821 -6.167 1.00 0.00 C ATOM 69 O ARG A 5 -9.436 -7.766 -6.596 1.00 0.00 O ATOM 70 CB ARG A 5 -12.472 -8.979 -7.321 1.00 0.00 C ATOM 71 CG ARG A 5 -13.262 -10.251 -7.557 1.00 0.00 C ATOM 72 CD ARG A 5 -14.329 -10.060 -8.625 1.00 0.00 C ATOM 73 NE ARG A 5 -15.105 -11.279 -8.843 1.00 0.00 N ATOM 74 CZ ARG A 5 -16.054 -11.411 -9.764 1.00 0.00 C ATOM 75 NH1 ARG A 5 -16.361 -10.392 -10.564 1.00 0.00 N ATOM 76 NH2 ARG A 5 -16.695 -12.571 -9.890 1.00 0.00 N ATOM 0 H ARG A 5 -13.013 -9.407 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 5 -10.702 -9.920 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.159 -8.184 -7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.005 -8.673 -8.257 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.584 -11.050 -7.858 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.732 -10.566 -6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.998 -9.252 -8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.857 -9.758 -9.560 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.905 -12.083 -8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.867 -9.504 -10.472 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -17.090 -10.499 -11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.457 -13.354 -9.281 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.424 -12.677 -10.595 1.00 0.00 H new ATOM 90 N GLU A 6 -11.196 -6.781 -5.613 1.00 0.00 N ATOM 91 CA GLU A 6 -10.603 -5.452 -5.654 1.00 0.00 C ATOM 92 C GLU A 6 -9.364 -5.340 -4.775 1.00 0.00 C ATOM 93 O GLU A 6 -8.455 -4.582 -5.095 1.00 0.00 O ATOM 94 CB GLU A 6 -11.618 -4.368 -5.299 1.00 0.00 C ATOM 95 CG GLU A 6 -12.118 -4.396 -3.871 1.00 0.00 C ATOM 96 CD GLU A 6 -13.134 -3.306 -3.630 1.00 0.00 C ATOM 97 OE1 GLU A 6 -12.731 -2.127 -3.531 1.00 0.00 O ATOM 98 OE2 GLU A 6 -14.341 -3.618 -3.577 1.00 0.00 O ATOM 0 H GLU A 6 -12.094 -6.831 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.285 -5.293 -6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.167 -3.394 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.473 -4.460 -5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.564 -5.367 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.279 -4.273 -3.186 1.00 0.00 H new ATOM 105 N LEU A 7 -9.327 -6.074 -3.667 1.00 0.00 N ATOM 106 CA LEU A 7 -8.199 -5.987 -2.738 1.00 0.00 C ATOM 107 C LEU A 7 -6.875 -6.289 -3.436 1.00 0.00 C ATOM 108 O LEU A 7 -5.862 -5.647 -3.159 1.00 0.00 O ATOM 109 CB LEU A 7 -8.401 -6.932 -1.550 1.00 0.00 C ATOM 110 CG LEU A 7 -9.520 -6.526 -0.590 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.620 -7.511 0.560 1.00 0.00 C ATOM 112 CD2 LEU A 7 -9.289 -5.115 -0.064 1.00 0.00 C ATOM 0 H LEU A 7 -10.057 -6.731 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.158 -4.963 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.613 -7.931 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.467 -6.995 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.462 -6.539 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.422 -7.205 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.834 -8.506 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.677 -7.530 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.096 -4.844 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.337 -5.076 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.269 -4.414 -0.899 1.00 0.00 H new ATOM 124 N LEU A 8 -6.894 -7.239 -4.362 1.00 0.00 N ATOM 125 CA LEU A 8 -5.704 -7.574 -5.127 1.00 0.00 C ATOM 126 C LEU A 8 -5.281 -6.410 -6.018 1.00 0.00 C ATOM 127 O LEU A 8 -4.119 -6.011 -6.024 1.00 0.00 O ATOM 128 CB LEU A 8 -5.954 -8.818 -5.981 1.00 0.00 C ATOM 129 CG LEU A 8 -5.925 -10.154 -5.233 1.00 0.00 C ATOM 130 CD1 LEU A 8 -6.467 -11.266 -6.116 1.00 0.00 C ATOM 131 CD2 LEU A 8 -4.504 -10.480 -4.792 1.00 0.00 C ATOM 0 H LEU A 8 -7.719 -7.789 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.898 -7.780 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.925 -8.715 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.205 -8.849 -6.772 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.557 -10.071 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.440 -12.209 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.495 -11.039 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.855 -11.348 -7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.497 -11.432 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.858 -10.548 -5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.139 -9.694 -4.131 1.00 0.00 H new ATOM 143 N LYS A 9 -6.228 -5.847 -6.757 1.00 0.00 N ATOM 144 CA LYS A 9 -5.906 -4.773 -7.685 1.00 0.00 C ATOM 145 C LYS A 9 -5.569 -3.479 -6.948 1.00 0.00 C ATOM 146 O LYS A 9 -4.747 -2.701 -7.416 1.00 0.00 O ATOM 147 CB LYS A 9 -7.019 -4.562 -8.727 1.00 0.00 C ATOM 148 CG LYS A 9 -8.359 -4.098 -8.177 1.00 0.00 C ATOM 149 CD LYS A 9 -9.405 -4.049 -9.283 1.00 0.00 C ATOM 150 CE LYS A 9 -10.763 -3.583 -8.777 1.00 0.00 C ATOM 151 NZ LYS A 9 -10.793 -2.125 -8.485 1.00 0.00 N ATOM 0 H LYS A 9 -7.213 -6.112 -6.733 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.013 -5.077 -8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.674 -3.830 -9.457 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.172 -5.499 -9.263 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.688 -4.774 -7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.251 -3.111 -7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.065 -3.378 -10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.506 -5.039 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.524 -3.817 -9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.020 -4.136 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.739 -1.859 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.086 -1.903 -7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.575 -1.593 -9.352 1.00 0.00 H new ATOM 165 N ALA A 10 -6.202 -3.254 -5.802 1.00 0.00 N ATOM 166 CA ALA A 10 -5.970 -2.037 -5.027 1.00 0.00 C ATOM 167 C ALA A 10 -4.555 -2.001 -4.447 1.00 0.00 C ATOM 168 O ALA A 10 -3.858 -0.992 -4.571 1.00 0.00 O ATOM 169 CB ALA A 10 -7.000 -1.917 -3.914 1.00 0.00 C ATOM 0 H ALA A 10 -6.879 -3.896 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.074 -1.188 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.816 -1.006 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.000 -1.879 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.923 -2.780 -3.253 1.00 0.00 H new ATOM 175 N GLU A 11 -4.134 -3.108 -3.840 1.00 0.00 N ATOM 176 CA GLU A 11 -2.804 -3.193 -3.239 1.00 0.00 C ATOM 177 C GLU A 11 -1.732 -3.133 -4.328 1.00 0.00 C ATOM 178 O GLU A 11 -0.794 -2.334 -4.255 1.00 0.00 O ATOM 179 CB GLU A 11 -2.673 -4.488 -2.425 1.00 0.00 C ATOM 180 CG GLU A 11 -1.380 -4.599 -1.623 1.00 0.00 C ATOM 181 CD GLU A 11 -1.344 -3.691 -0.405 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.434 -2.471 -0.553 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.198 -4.199 0.733 1.00 0.00 O ATOM 0 H GLU A 11 -4.692 -3.957 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.664 -2.347 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.518 -4.560 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.739 -5.338 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.249 -5.632 -1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.538 -4.358 -2.271 1.00 0.00 H new ATOM 190 N GLN A 12 -1.895 -3.965 -5.353 1.00 0.00 N ATOM 191 CA GLN A 12 -0.966 -4.000 -6.473 1.00 0.00 C ATOM 192 C GLN A 12 -0.913 -2.666 -7.212 1.00 0.00 C ATOM 193 O GLN A 12 0.125 -2.303 -7.761 1.00 0.00 O ATOM 194 CB GLN A 12 -1.323 -5.135 -7.433 1.00 0.00 C ATOM 195 CG GLN A 12 -0.629 -6.447 -7.100 1.00 0.00 C ATOM 196 CD GLN A 12 -0.955 -6.963 -5.712 1.00 0.00 C ATOM 197 OE1 GLN A 12 -0.307 -6.602 -4.734 1.00 0.00 O ATOM 198 NE2 GLN A 12 -1.948 -7.830 -5.623 1.00 0.00 N ATOM 0 H GLN A 12 -2.667 -4.627 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 12 0.028 -4.185 -6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.402 -5.289 -7.417 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.058 -4.840 -8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.915 -7.198 -7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.449 -6.312 -7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.462 -8.104 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.200 -8.225 -4.717 1.00 0.00 H new ATOM 207 N GLN A 13 -2.028 -1.946 -7.241 1.00 0.00 N ATOM 208 CA GLN A 13 -2.073 -0.631 -7.878 1.00 0.00 C ATOM 209 C GLN A 13 -1.068 0.304 -7.220 1.00 0.00 C ATOM 210 O GLN A 13 -0.309 0.993 -7.903 1.00 0.00 O ATOM 211 CB GLN A 13 -3.479 -0.035 -7.780 1.00 0.00 C ATOM 212 CG GLN A 13 -3.649 1.262 -8.555 1.00 0.00 C ATOM 213 CD GLN A 13 -5.045 1.841 -8.427 1.00 0.00 C ATOM 214 OE1 GLN A 13 -5.681 1.616 -7.288 1.00 0.00 O flip ATOM 215 NE2 GLN A 13 -5.543 2.495 -9.343 1.00 0.00 N flip ATOM 0 H GLN A 13 -2.913 -2.248 -6.832 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.816 -0.749 -8.931 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.200 -0.765 -8.148 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.715 0.145 -6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.923 1.992 -8.197 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.429 1.083 -9.608 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.019 2.646 -10.205 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.479 2.886 -9.240 1.00 0.00 H new ATOM 224 N GLY A 14 -1.059 0.307 -5.892 1.00 0.00 N ATOM 225 CA GLY A 14 -0.102 1.108 -5.157 1.00 0.00 C ATOM 226 C GLY A 14 1.320 0.699 -5.478 1.00 0.00 C ATOM 227 O GLY A 14 2.171 1.546 -5.748 1.00 0.00 O ATOM 0 H GLY A 14 -1.700 -0.233 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.243 2.161 -5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.281 1.001 -4.087 1.00 0.00 H new ATOM 231 N ILE A 15 1.557 -0.610 -5.486 1.00 0.00 N ATOM 232 CA ILE A 15 2.863 -1.166 -5.820 1.00 0.00 C ATOM 233 C ILE A 15 3.292 -0.751 -7.229 1.00 0.00 C ATOM 234 O ILE A 15 4.447 -0.387 -7.455 1.00 0.00 O ATOM 235 CB ILE A 15 2.853 -2.709 -5.724 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.478 -3.147 -4.306 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.206 -3.288 -6.126 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.375 -4.646 -4.141 1.00 0.00 C ATOM 0 H ILE A 15 0.852 -1.312 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 15 3.576 -0.770 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 15 2.105 -3.093 -6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.222 -2.764 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.524 -2.694 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.174 -4.375 -6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.433 -3.002 -7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.979 -2.901 -5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.106 -4.881 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.610 -5.034 -4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.334 -5.105 -4.379 1.00 0.00 H new ATOM 250 N LYS A 16 2.354 -0.796 -8.166 1.00 0.00 N ATOM 251 CA LYS A 16 2.632 -0.429 -9.552 1.00 0.00 C ATOM 252 C LYS A 16 3.053 1.036 -9.656 1.00 0.00 C ATOM 253 O LYS A 16 3.969 1.378 -10.409 1.00 0.00 O ATOM 254 CB LYS A 16 1.400 -0.681 -10.423 1.00 0.00 C ATOM 255 CG LYS A 16 1.650 -0.484 -11.911 1.00 0.00 C ATOM 256 CD LYS A 16 0.373 -0.642 -12.717 1.00 0.00 C ATOM 257 CE LYS A 16 -0.202 -2.044 -12.594 1.00 0.00 C ATOM 258 NZ LYS A 16 -1.502 -2.163 -13.301 1.00 0.00 N ATOM 0 H LYS A 16 1.391 -1.084 -7.993 1.00 0.00 H new ATOM 0 HA LYS A 16 3.455 -1.049 -9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.049 -1.699 -10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.600 -0.012 -10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.069 0.508 -12.082 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.390 -1.206 -12.255 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.364 0.085 -12.376 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.575 -0.423 -13.765 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.504 -2.765 -13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.335 -2.293 -11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.866 -3.132 -13.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.182 -1.491 -12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.369 -1.949 -14.310 1.00 0.00 H new ATOM 272 N ILE A 17 2.382 1.896 -8.901 1.00 0.00 N ATOM 273 CA ILE A 17 2.723 3.313 -8.872 1.00 0.00 C ATOM 274 C ILE A 17 4.072 3.523 -8.179 1.00 0.00 C ATOM 275 O ILE A 17 4.864 4.374 -8.584 1.00 0.00 O ATOM 276 CB ILE A 17 1.629 4.144 -8.166 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.268 3.887 -8.819 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.970 5.626 -8.227 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.888 4.553 -8.099 1.00 0.00 C ATOM 0 H ILE A 17 1.599 1.638 -8.301 1.00 0.00 H new ATOM 0 HA ILE A 17 2.794 3.657 -9.904 1.00 0.00 H new ATOM 0 HB ILE A 17 1.580 3.841 -7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.296 4.242 -9.849 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.090 2.812 -8.857 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.190 6.200 -7.726 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.925 5.800 -7.731 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.039 5.941 -9.268 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.819 4.327 -8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.943 4.180 -7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.734 5.632 -8.084 1.00 0.00 H new ATOM 291 N LEU A 18 4.334 2.722 -7.148 1.00 0.00 N ATOM 292 CA LEU A 18 5.618 2.751 -6.455 1.00 0.00 C ATOM 293 C LEU A 18 6.760 2.473 -7.431 1.00 0.00 C ATOM 294 O LEU A 18 7.832 3.067 -7.334 1.00 0.00 O ATOM 295 CB LEU A 18 5.644 1.725 -5.318 1.00 0.00 C ATOM 296 CG LEU A 18 4.714 2.018 -4.136 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.698 0.843 -3.170 1.00 0.00 C ATOM 298 CD2 LEU A 18 5.151 3.281 -3.413 1.00 0.00 C ATOM 0 H LEU A 18 3.671 2.043 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 18 5.750 3.746 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.384 0.749 -5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.665 1.651 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 18 3.706 2.169 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.033 1.067 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.344 -0.049 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.706 0.668 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.479 3.473 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.167 3.153 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.121 4.124 -4.103 1.00 0.00 H new ATOM 310 N LYS A 19 6.512 1.571 -8.379 1.00 0.00 N ATOM 311 CA LYS A 19 7.491 1.243 -9.414 1.00 0.00 C ATOM 312 C LYS A 19 7.872 2.482 -10.222 1.00 0.00 C ATOM 313 O LYS A 19 9.033 2.662 -10.593 1.00 0.00 O ATOM 314 CB LYS A 19 6.939 0.164 -10.346 1.00 0.00 C ATOM 315 CG LYS A 19 6.705 -1.176 -9.662 1.00 0.00 C ATOM 316 CD LYS A 19 8.012 -1.857 -9.286 1.00 0.00 C ATOM 317 CE LYS A 19 8.811 -2.235 -10.520 1.00 0.00 C ATOM 318 NZ LYS A 19 10.075 -2.938 -10.175 1.00 0.00 N ATOM 0 H LYS A 19 5.637 1.052 -8.452 1.00 0.00 H new ATOM 0 HA LYS A 19 8.386 0.865 -8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.999 0.512 -10.774 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.633 0.022 -11.174 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.103 -1.026 -8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.134 -1.827 -10.324 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.603 -1.192 -8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.803 -2.750 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.205 -2.874 -11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.041 -1.336 -11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.588 -3.177 -11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.666 -2.319 -9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.856 -3.810 -9.652 1.00 0.00 H new ATOM 332 N GLU A 20 6.890 3.337 -10.483 1.00 0.00 N ATOM 333 CA GLU A 20 7.133 4.580 -11.201 1.00 0.00 C ATOM 334 C GLU A 20 7.987 5.518 -10.357 1.00 0.00 C ATOM 335 O GLU A 20 8.897 6.179 -10.866 1.00 0.00 O ATOM 336 CB GLU A 20 5.813 5.264 -11.562 1.00 0.00 C ATOM 337 CG GLU A 20 4.967 4.487 -12.558 1.00 0.00 C ATOM 338 CD GLU A 20 5.688 4.255 -13.868 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.956 5.243 -14.586 1.00 0.00 O ATOM 340 OE2 GLU A 20 6.009 3.091 -14.176 1.00 0.00 O ATOM 0 H GLU A 20 5.919 3.191 -10.208 1.00 0.00 H new ATOM 0 HA GLU A 20 7.666 4.343 -12.122 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.234 5.418 -10.651 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.027 6.250 -11.974 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.689 3.526 -12.124 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.041 5.031 -12.747 1.00 0.00 H new ATOM 347 N VAL A 21 7.695 5.550 -9.061 1.00 0.00 N ATOM 348 CA VAL A 21 8.413 6.400 -8.122 1.00 0.00 C ATOM 349 C VAL A 21 9.887 6.019 -8.063 1.00 0.00 C ATOM 350 O VAL A 21 10.749 6.885 -8.036 1.00 0.00 O ATOM 351 CB VAL A 21 7.813 6.311 -6.701 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.544 7.237 -5.741 1.00 0.00 C ATOM 353 CG2 VAL A 21 6.329 6.637 -6.725 1.00 0.00 C ATOM 0 H VAL A 21 6.957 4.990 -8.635 1.00 0.00 H new ATOM 0 HA VAL A 21 8.314 7.424 -8.482 1.00 0.00 H new ATOM 0 HB VAL A 21 7.938 5.288 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.102 7.155 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.596 6.955 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.459 8.265 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.925 6.569 -5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.185 7.648 -7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.811 5.928 -7.371 1.00 0.00 H new ATOM 363 N LEU A 22 10.166 4.721 -8.066 1.00 0.00 N ATOM 364 CA LEU A 22 11.537 4.225 -7.973 1.00 0.00 C ATOM 365 C LEU A 22 12.422 4.808 -9.075 1.00 0.00 C ATOM 366 O LEU A 22 13.575 5.165 -8.834 1.00 0.00 O ATOM 367 CB LEU A 22 11.552 2.697 -8.045 1.00 0.00 C ATOM 368 CG LEU A 22 10.846 1.990 -6.886 1.00 0.00 C ATOM 369 CD1 LEU A 22 10.822 0.487 -7.111 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.529 2.320 -5.565 1.00 0.00 C ATOM 0 H LEU A 22 9.459 3.989 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 22 11.941 4.546 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.084 2.387 -8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.588 2.360 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 22 9.817 2.347 -6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.316 0.002 -6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.289 0.266 -8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.843 0.113 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.014 1.809 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.568 1.991 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.495 3.396 -5.397 1.00 0.00 H new ATOM 382 N LYS A 23 11.882 4.892 -10.284 1.00 0.00 N ATOM 383 CA LYS A 23 12.625 5.438 -11.415 1.00 0.00 C ATOM 384 C LYS A 23 12.759 6.962 -11.323 1.00 0.00 C ATOM 385 O LYS A 23 13.810 7.525 -11.634 1.00 0.00 O ATOM 386 CB LYS A 23 11.957 5.044 -12.737 1.00 0.00 C ATOM 387 CG LYS A 23 11.941 3.541 -12.990 1.00 0.00 C ATOM 388 CD LYS A 23 13.348 2.962 -12.993 1.00 0.00 C ATOM 389 CE LYS A 23 13.349 1.473 -13.303 1.00 0.00 C ATOM 390 NZ LYS A 23 12.886 1.191 -14.686 1.00 0.00 N ATOM 0 H LYS A 23 10.934 4.590 -10.508 1.00 0.00 H new ATOM 0 HA LYS A 23 13.628 5.013 -11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.932 5.415 -12.741 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.478 5.536 -13.558 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.345 3.048 -12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.460 3.337 -13.947 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.955 3.487 -13.731 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.812 3.131 -12.021 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.355 1.076 -13.170 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.705 0.955 -12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.091 0.200 -14.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.861 1.357 -14.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.381 1.818 -15.352 1.00 0.00 H new ATOM 404 N LYS A 24 11.692 7.623 -10.889 1.00 0.00 N ATOM 405 CA LYS A 24 11.649 9.087 -10.845 1.00 0.00 C ATOM 406 C LYS A 24 12.295 9.640 -9.576 1.00 0.00 C ATOM 407 O LYS A 24 12.582 10.831 -9.492 1.00 0.00 O ATOM 408 CB LYS A 24 10.210 9.595 -10.981 1.00 0.00 C ATOM 409 CG LYS A 24 9.736 9.722 -12.427 1.00 0.00 C ATOM 410 CD LYS A 24 9.659 8.376 -13.130 1.00 0.00 C ATOM 411 CE LYS A 24 9.281 8.528 -14.595 1.00 0.00 C ATOM 412 NZ LYS A 24 7.913 9.085 -14.774 1.00 0.00 N ATOM 0 H LYS A 24 10.840 7.169 -10.560 1.00 0.00 H new ATOM 0 HA LYS A 24 12.229 9.451 -11.693 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.543 8.917 -10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.130 10.568 -10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.754 10.195 -12.445 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.415 10.376 -12.973 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.621 7.870 -13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.925 7.745 -12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.003 9.180 -15.088 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.342 7.557 -15.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.569 8.861 -15.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.273 8.666 -14.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.939 10.117 -14.648 1.00 0.00 H new ATOM 426 N ALA A 25 12.492 8.783 -8.584 1.00 0.00 N ATOM 427 CA ALA A 25 13.124 9.184 -7.329 1.00 0.00 C ATOM 428 C ALA A 25 14.507 9.785 -7.567 1.00 0.00 C ATOM 429 O ALA A 25 14.903 10.732 -6.891 1.00 0.00 O ATOM 430 CB ALA A 25 13.219 7.996 -6.385 1.00 0.00 C ATOM 0 H ALA A 25 12.223 7.800 -8.622 1.00 0.00 H new ATOM 0 HA ALA A 25 12.502 9.953 -6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.692 8.308 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.219 7.617 -6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.815 7.210 -6.849 1.00 0.00 H new ATOM 436 N LYS A 26 15.238 9.235 -8.534 1.00 0.00 N ATOM 437 CA LYS A 26 16.565 9.750 -8.863 1.00 0.00 C ATOM 438 C LYS A 26 16.456 11.093 -9.584 1.00 0.00 C ATOM 439 O LYS A 26 17.413 11.867 -9.631 1.00 0.00 O ATOM 440 CB LYS A 26 17.350 8.747 -9.717 1.00 0.00 C ATOM 441 CG LYS A 26 16.823 8.579 -11.133 1.00 0.00 C ATOM 442 CD LYS A 26 17.633 7.546 -11.901 1.00 0.00 C ATOM 443 CE LYS A 26 17.204 7.455 -13.357 1.00 0.00 C ATOM 444 NZ LYS A 26 17.523 8.696 -14.110 1.00 0.00 N ATOM 0 H LYS A 26 14.938 8.440 -9.099 1.00 0.00 H new ATOM 0 HA LYS A 26 17.108 9.898 -7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.391 9.066 -9.765 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.337 7.777 -9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.777 8.275 -11.101 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.861 9.536 -11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.691 7.804 -11.850 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.519 6.571 -11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.700 6.607 -13.829 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.132 7.266 -13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.654 8.468 -15.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.741 9.374 -14.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.397 9.116 -13.733 1.00 0.00 H new ATOM 458 N GLU A 27 15.280 11.355 -10.145 1.00 0.00 N ATOM 459 CA GLU A 27 15.007 12.606 -10.837 1.00 0.00 C ATOM 460 C GLU A 27 14.731 13.710 -9.826 1.00 0.00 C ATOM 461 O GLU A 27 15.370 14.760 -9.844 1.00 0.00 O ATOM 462 CB GLU A 27 13.804 12.441 -11.770 1.00 0.00 C ATOM 463 CG GLU A 27 13.979 11.342 -12.803 1.00 0.00 C ATOM 464 CD GLU A 27 15.183 11.570 -13.688 1.00 0.00 C ATOM 465 OE1 GLU A 27 15.100 12.412 -14.607 1.00 0.00 O ATOM 466 OE2 GLU A 27 16.215 10.905 -13.471 1.00 0.00 O ATOM 0 H GLU A 27 14.492 10.707 -10.132 1.00 0.00 H new ATOM 0 HA GLU A 27 15.880 12.877 -11.431 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.918 12.228 -11.172 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.622 13.385 -12.284 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.081 10.383 -12.295 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.083 11.282 -13.421 1.00 0.00 H new ATOM 473 N GLY A 28 13.783 13.452 -8.933 1.00 0.00 N ATOM 474 CA GLY A 28 13.461 14.406 -7.891 1.00 0.00 C ATOM 475 C GLY A 28 12.508 15.488 -8.356 1.00 0.00 C ATOM 476 O GLY A 28 12.402 16.538 -7.721 1.00 0.00 O ATOM 0 H GLY A 28 13.230 12.595 -8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.019 13.878 -7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.380 14.868 -7.532 1.00 0.00 H new ATOM 480 N ASP A 29 11.810 15.235 -9.456 1.00 0.00 N ATOM 481 CA ASP A 29 10.863 16.208 -9.990 1.00 0.00 C ATOM 482 C ASP A 29 9.637 16.301 -9.093 1.00 0.00 C ATOM 483 O ASP A 29 8.977 15.300 -8.820 1.00 0.00 O ATOM 484 CB ASP A 29 10.435 15.846 -11.410 1.00 0.00 C ATOM 485 CG ASP A 29 9.503 16.885 -11.995 1.00 0.00 C ATOM 486 OD1 ASP A 29 9.996 17.931 -12.469 1.00 0.00 O ATOM 487 OD2 ASP A 29 8.274 16.680 -11.963 1.00 0.00 O ATOM 0 H ASP A 29 11.880 14.371 -9.993 1.00 0.00 H new ATOM 0 HA ASP A 29 11.364 17.175 -10.019 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.317 15.751 -12.043 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.940 14.875 -11.405 1.00 0.00 H new ATOM 492 N GLU A 30 9.338 17.514 -8.654 1.00 0.00 N ATOM 493 CA GLU A 30 8.283 17.757 -7.677 1.00 0.00 C ATOM 494 C GLU A 30 6.898 17.498 -8.260 1.00 0.00 C ATOM 495 O GLU A 30 6.029 16.961 -7.580 1.00 0.00 O ATOM 496 CB GLU A 30 8.380 19.197 -7.184 1.00 0.00 C ATOM 497 CG GLU A 30 9.751 19.547 -6.632 1.00 0.00 C ATOM 498 CD GLU A 30 9.919 21.027 -6.376 1.00 0.00 C ATOM 499 OE1 GLU A 30 10.272 21.756 -7.324 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.705 21.467 -5.227 1.00 0.00 O ATOM 0 H GLU A 30 9.819 18.359 -8.964 1.00 0.00 H new ATOM 0 HA GLU A 30 8.421 17.065 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.142 19.873 -8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.631 19.361 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.913 19.001 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.516 19.215 -7.334 1.00 0.00 H new ATOM 507 N GLN A 31 6.696 17.873 -9.515 1.00 0.00 N ATOM 508 CA GLN A 31 5.405 17.710 -10.161 1.00 0.00 C ATOM 509 C GLN A 31 5.108 16.234 -10.406 1.00 0.00 C ATOM 510 O GLN A 31 3.995 15.764 -10.170 1.00 0.00 O ATOM 511 CB GLN A 31 5.390 18.499 -11.464 1.00 0.00 C ATOM 512 CG GLN A 31 5.514 19.998 -11.249 1.00 0.00 C ATOM 513 CD GLN A 31 5.670 20.766 -12.545 1.00 0.00 C ATOM 514 OE1 GLN A 31 4.688 21.187 -13.157 1.00 0.00 O ATOM 515 NE2 GLN A 31 6.909 20.963 -12.964 1.00 0.00 N ATOM 0 H GLN A 31 7.413 18.293 -10.106 1.00 0.00 H new ATOM 0 HA GLN A 31 4.623 18.096 -9.508 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.209 18.159 -12.098 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.464 18.289 -11.999 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.631 20.359 -10.722 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.372 20.199 -10.608 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.694 20.596 -12.425 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.080 21.482 -13.826 1.00 0.00 H new ATOM 524 N GLU A 32 6.117 15.513 -10.871 1.00 0.00 N ATOM 525 CA GLU A 32 6.024 14.070 -11.027 1.00 0.00 C ATOM 526 C GLU A 32 5.757 13.415 -9.675 1.00 0.00 C ATOM 527 O GLU A 32 4.845 12.598 -9.532 1.00 0.00 O ATOM 528 CB GLU A 32 7.332 13.536 -11.611 1.00 0.00 C ATOM 529 CG GLU A 32 7.365 12.031 -11.774 1.00 0.00 C ATOM 530 CD GLU A 32 6.607 11.558 -12.989 1.00 0.00 C ATOM 531 OE1 GLU A 32 7.196 11.546 -14.093 1.00 0.00 O ATOM 532 OE2 GLU A 32 5.434 11.165 -12.851 1.00 0.00 O ATOM 0 H GLU A 32 7.016 15.908 -11.149 1.00 0.00 H new ATOM 0 HA GLU A 32 5.202 13.834 -11.702 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.500 14.000 -12.583 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.157 13.839 -10.966 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.401 11.701 -11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.943 11.564 -10.884 1.00 0.00 H new ATOM 539 N LEU A 33 6.553 13.799 -8.683 1.00 0.00 N ATOM 540 CA LEU A 33 6.431 13.258 -7.337 1.00 0.00 C ATOM 541 C LEU A 33 5.065 13.557 -6.734 1.00 0.00 C ATOM 542 O LEU A 33 4.481 12.705 -6.068 1.00 0.00 O ATOM 543 CB LEU A 33 7.547 13.805 -6.443 1.00 0.00 C ATOM 544 CG LEU A 33 8.883 13.063 -6.556 1.00 0.00 C ATOM 545 CD1 LEU A 33 9.941 13.727 -5.693 1.00 0.00 C ATOM 546 CD2 LEU A 33 8.719 11.601 -6.161 1.00 0.00 C ATOM 0 H LEU A 33 7.296 14.490 -8.789 1.00 0.00 H new ATOM 0 HA LEU A 33 6.530 12.174 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.709 14.855 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.214 13.768 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 33 9.209 13.107 -7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.881 13.184 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.082 14.757 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.620 13.717 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.678 11.091 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.367 11.540 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.994 11.125 -6.821 1.00 0.00 H new ATOM 558 N ALA A 34 4.553 14.758 -6.980 1.00 0.00 N ATOM 559 CA ALA A 34 3.246 15.151 -6.466 1.00 0.00 C ATOM 560 C ALA A 34 2.156 14.223 -6.985 1.00 0.00 C ATOM 561 O ALA A 34 1.309 13.759 -6.217 1.00 0.00 O ATOM 562 CB ALA A 34 2.936 16.593 -6.836 1.00 0.00 C ATOM 0 H ALA A 34 5.023 15.476 -7.532 1.00 0.00 H new ATOM 0 HA ALA A 34 3.273 15.071 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.957 16.867 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.695 17.249 -6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.934 16.698 -7.921 1.00 0.00 H new ATOM 568 N ARG A 35 2.184 13.943 -8.285 1.00 0.00 N ATOM 569 CA ARG A 35 1.233 13.044 -8.893 1.00 0.00 C ATOM 570 C ARG A 35 1.367 11.635 -8.329 1.00 0.00 C ATOM 571 O ARG A 35 0.382 11.023 -7.917 1.00 0.00 O ATOM 572 CB ARG A 35 1.463 12.993 -10.396 1.00 0.00 C ATOM 573 CG ARG A 35 0.455 12.118 -11.084 1.00 0.00 C ATOM 574 CD ARG A 35 0.918 11.662 -12.454 1.00 0.00 C ATOM 575 NE ARG A 35 0.178 10.476 -12.884 1.00 0.00 N ATOM 576 CZ ARG A 35 0.440 9.769 -13.980 1.00 0.00 C ATOM 577 NH1 ARG A 35 1.438 10.109 -14.784 1.00 0.00 N ATOM 578 NH2 ARG A 35 -0.290 8.698 -14.259 1.00 0.00 N ATOM 0 H ARG A 35 2.865 14.335 -8.935 1.00 0.00 H new ATOM 0 HA ARG A 35 0.233 13.417 -8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.410 14.001 -10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.467 12.619 -10.598 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.253 11.245 -10.463 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.484 12.662 -11.184 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.777 12.466 -13.177 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.985 11.441 -12.427 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.598 10.167 -12.299 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.015 10.921 -14.565 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.629 9.559 -15.621 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.047 8.420 -13.635 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.094 8.152 -15.098 1.00 0.00 H new ATOM 592 N LEU A 36 2.595 11.134 -8.308 1.00 0.00 N ATOM 593 CA LEU A 36 2.854 9.771 -7.871 1.00 0.00 C ATOM 594 C LEU A 36 2.461 9.588 -6.415 1.00 0.00 C ATOM 595 O LEU A 36 1.781 8.626 -6.066 1.00 0.00 O ATOM 596 CB LEU A 36 4.328 9.416 -8.071 1.00 0.00 C ATOM 597 CG LEU A 36 4.802 9.425 -9.524 1.00 0.00 C ATOM 598 CD1 LEU A 36 6.285 9.089 -9.605 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.983 8.447 -10.356 1.00 0.00 C ATOM 0 H LEU A 36 3.427 11.653 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 36 2.247 9.099 -8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.936 10.119 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.508 8.426 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 36 4.657 10.427 -9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.604 9.100 -10.647 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.857 9.827 -9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.457 8.099 -9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.333 8.465 -11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.097 7.441 -9.952 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.932 8.734 -10.324 1.00 0.00 H new ATOM 611 N ASN A 37 2.859 10.541 -5.583 1.00 0.00 N ATOM 612 CA ASN A 37 2.561 10.492 -4.158 1.00 0.00 C ATOM 613 C ASN A 37 1.053 10.459 -3.938 1.00 0.00 C ATOM 614 O ASN A 37 0.539 9.628 -3.189 1.00 0.00 O ATOM 615 CB ASN A 37 3.167 11.707 -3.446 1.00 0.00 C ATOM 616 CG ASN A 37 3.173 11.558 -1.937 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.337 10.461 -1.416 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.993 12.662 -1.227 1.00 0.00 N ATOM 0 H ASN A 37 3.392 11.361 -5.872 1.00 0.00 H new ATOM 0 HA ASN A 37 3.000 9.585 -3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.188 11.856 -3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.604 12.600 -3.717 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.988 12.618 -0.208 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.860 13.556 -1.699 1.00 0.00 H new ATOM 625 N GLN A 38 0.350 11.354 -4.625 1.00 0.00 N ATOM 626 CA GLN A 38 -1.098 11.450 -4.518 1.00 0.00 C ATOM 627 C GLN A 38 -1.785 10.162 -4.965 1.00 0.00 C ATOM 628 O GLN A 38 -2.689 9.667 -4.288 1.00 0.00 O ATOM 629 CB GLN A 38 -1.606 12.620 -5.356 1.00 0.00 C ATOM 630 CG GLN A 38 -2.241 13.725 -4.532 1.00 0.00 C ATOM 631 CD GLN A 38 -3.424 13.236 -3.714 1.00 0.00 C ATOM 632 OE1 GLN A 38 -3.168 12.846 -2.476 1.00 0.00 O flip ATOM 633 NE2 GLN A 38 -4.560 13.221 -4.189 1.00 0.00 N flip ATOM 0 H GLN A 38 0.767 12.028 -5.267 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.341 11.614 -3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.775 13.035 -5.927 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.335 12.250 -6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.493 14.151 -3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.568 14.526 -5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.716 13.530 -5.148 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.345 12.900 -3.623 1.00 0.00 H new ATOM 642 N GLU A 39 -1.355 9.616 -6.098 1.00 0.00 N ATOM 643 CA GLU A 39 -1.973 8.410 -6.635 1.00 0.00 C ATOM 644 C GLU A 39 -1.748 7.215 -5.719 1.00 0.00 C ATOM 645 O GLU A 39 -2.636 6.376 -5.567 1.00 0.00 O ATOM 646 CB GLU A 39 -1.475 8.114 -8.051 1.00 0.00 C ATOM 647 CG GLU A 39 -1.986 9.112 -9.078 1.00 0.00 C ATOM 648 CD GLU A 39 -1.902 8.596 -10.500 1.00 0.00 C ATOM 649 OE1 GLU A 39 -2.089 7.379 -10.707 1.00 0.00 O ATOM 650 OE2 GLU A 39 -1.675 9.406 -11.420 1.00 0.00 O ATOM 0 H GLU A 39 -0.587 9.986 -6.658 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.047 8.591 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.385 8.121 -8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.789 7.111 -8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.022 9.362 -8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.410 10.034 -8.998 1.00 0.00 H new ATOM 657 N ILE A 40 -0.577 7.148 -5.097 1.00 0.00 N ATOM 658 CA ILE A 40 -0.296 6.093 -4.129 1.00 0.00 C ATOM 659 C ILE A 40 -1.281 6.167 -2.967 1.00 0.00 C ATOM 660 O ILE A 40 -1.902 5.168 -2.609 1.00 0.00 O ATOM 661 CB ILE A 40 1.146 6.185 -3.582 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.154 5.979 -4.712 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.376 5.156 -2.479 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.582 6.286 -4.317 1.00 0.00 C ATOM 0 H ILE A 40 0.189 7.806 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.405 5.140 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 40 1.287 7.179 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.095 4.946 -5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.876 6.611 -5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.398 5.240 -2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.679 5.337 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.216 4.154 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.240 6.117 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.657 7.327 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.880 5.636 -3.495 1.00 0.00 H new ATOM 676 N VAL A 41 -1.442 7.368 -2.411 1.00 0.00 N ATOM 677 CA VAL A 41 -2.354 7.586 -1.290 1.00 0.00 C ATOM 678 C VAL A 41 -3.771 7.117 -1.629 1.00 0.00 C ATOM 679 O VAL A 41 -4.430 6.487 -0.804 1.00 0.00 O ATOM 680 CB VAL A 41 -2.392 9.074 -0.868 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.384 9.297 0.266 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.005 9.543 -0.453 1.00 0.00 C ATOM 0 H VAL A 41 -0.951 8.207 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.974 6.996 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.720 9.659 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.390 10.351 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.381 9.002 -0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.092 8.698 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.048 10.592 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.655 8.944 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.317 9.429 -1.291 1.00 0.00 H new ATOM 692 N LYS A 42 -4.228 7.409 -2.844 1.00 0.00 N ATOM 693 CA LYS A 42 -5.571 7.009 -3.264 1.00 0.00 C ATOM 694 C LYS A 42 -5.711 5.489 -3.274 1.00 0.00 C ATOM 695 O LYS A 42 -6.734 4.950 -2.848 1.00 0.00 O ATOM 696 CB LYS A 42 -5.916 7.554 -4.654 1.00 0.00 C ATOM 697 CG LYS A 42 -5.842 9.069 -4.776 1.00 0.00 C ATOM 698 CD LYS A 42 -6.730 9.585 -5.906 1.00 0.00 C ATOM 699 CE LYS A 42 -6.521 8.819 -7.207 1.00 0.00 C ATOM 700 NZ LYS A 42 -5.159 9.011 -7.771 1.00 0.00 N ATOM 0 H LYS A 42 -3.695 7.916 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.266 7.433 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.238 7.110 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.923 7.230 -4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.147 9.526 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.810 9.370 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.775 9.508 -5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.523 10.642 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.691 7.757 -7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.262 9.143 -7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.233 9.418 -8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.618 9.656 -7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.672 8.093 -7.823 1.00 0.00 H new ATOM 714 N ALA A 43 -4.684 4.804 -3.762 1.00 0.00 N ATOM 715 CA ALA A 43 -4.709 3.349 -3.844 1.00 0.00 C ATOM 716 C ALA A 43 -4.681 2.734 -2.450 1.00 0.00 C ATOM 717 O ALA A 43 -5.486 1.854 -2.135 1.00 0.00 O ATOM 718 CB ALA A 43 -3.540 2.847 -4.678 1.00 0.00 C ATOM 0 H ALA A 43 -3.825 5.232 -4.106 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.635 3.044 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.571 1.759 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.607 3.261 -5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.603 3.161 -4.218 1.00 0.00 H new ATOM 724 N GLU A 44 -3.774 3.231 -1.617 1.00 0.00 N ATOM 725 CA GLU A 44 -3.648 2.767 -0.242 1.00 0.00 C ATOM 726 C GLU A 44 -4.968 2.963 0.507 1.00 0.00 C ATOM 727 O GLU A 44 -5.457 2.052 1.174 1.00 0.00 O ATOM 728 CB GLU A 44 -2.531 3.536 0.472 1.00 0.00 C ATOM 729 CG GLU A 44 -1.160 3.409 -0.183 1.00 0.00 C ATOM 730 CD GLU A 44 -0.440 2.124 0.174 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.279 2.086 1.188 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.559 1.129 -0.537 1.00 0.00 O ATOM 0 H GLU A 44 -3.110 3.962 -1.874 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.401 1.705 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.803 4.591 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.463 3.182 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.276 3.463 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.543 4.257 0.114 1.00 0.00 H new ATOM 739 N LYS A 45 -5.553 4.154 0.361 1.00 0.00 N ATOM 740 CA LYS A 45 -6.801 4.496 1.044 1.00 0.00 C ATOM 741 C LYS A 45 -7.952 3.597 0.611 1.00 0.00 C ATOM 742 O LYS A 45 -8.769 3.195 1.437 1.00 0.00 O ATOM 743 CB LYS A 45 -7.180 5.960 0.804 1.00 0.00 C ATOM 744 CG LYS A 45 -6.433 6.938 1.692 1.00 0.00 C ATOM 745 CD LYS A 45 -6.729 6.672 3.156 1.00 0.00 C ATOM 746 CE LYS A 45 -6.008 7.652 4.063 1.00 0.00 C ATOM 747 NZ LYS A 45 -6.192 7.313 5.497 1.00 0.00 N ATOM 0 H LYS A 45 -5.180 4.900 -0.227 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.625 4.341 2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.987 6.210 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.251 6.080 0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.361 6.854 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.720 7.959 1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.803 6.740 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.430 5.655 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.945 7.654 3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.379 8.660 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.415 7.724 6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.098 7.698 5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.191 6.279 5.612 1.00 0.00 H new ATOM 761 N GLN A 46 -8.019 3.286 -0.680 1.00 0.00 N ATOM 762 CA GLN A 46 -9.075 2.426 -1.198 1.00 0.00 C ATOM 763 C GLN A 46 -9.000 1.059 -0.536 1.00 0.00 C ATOM 764 O GLN A 46 -10.017 0.504 -0.116 1.00 0.00 O ATOM 765 CB GLN A 46 -8.959 2.276 -2.716 1.00 0.00 C ATOM 766 CG GLN A 46 -10.086 1.459 -3.338 1.00 0.00 C ATOM 767 CD GLN A 46 -11.461 2.066 -3.107 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.610 3.285 -3.010 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.473 1.216 -3.009 1.00 0.00 N ATOM 0 H GLN A 46 -7.357 3.615 -1.383 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.036 2.886 -0.970 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.947 3.267 -3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.006 1.804 -2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.911 1.367 -4.410 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.067 0.451 -2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.307 0.213 -3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.418 1.564 -2.847 1.00 0.00 H new ATOM 778 N GLY A 47 -7.787 0.532 -0.431 1.00 0.00 N ATOM 779 CA GLY A 47 -7.591 -0.738 0.235 1.00 0.00 C ATOM 780 C GLY A 47 -7.983 -0.676 1.697 1.00 0.00 C ATOM 781 O GLY A 47 -8.731 -1.526 2.179 1.00 0.00 O ATOM 0 H GLY A 47 -6.937 0.962 -0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.180 -1.506 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.545 -1.034 0.152 1.00 0.00 H new ATOM 785 N VAL A 48 -7.508 0.358 2.389 1.00 0.00 N ATOM 786 CA VAL A 48 -7.821 0.557 3.804 1.00 0.00 C ATOM 787 C VAL A 48 -9.328 0.629 4.025 1.00 0.00 C ATOM 788 O VAL A 48 -9.859 0.012 4.949 1.00 0.00 O ATOM 789 CB VAL A 48 -7.164 1.843 4.357 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.600 2.108 5.790 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.650 1.750 4.279 1.00 0.00 C ATOM 0 H VAL A 48 -6.902 1.075 1.991 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.417 -0.301 4.341 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.495 2.677 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.123 3.018 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.683 2.227 5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.307 1.268 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.208 2.665 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.307 0.899 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.347 1.619 3.240 1.00 0.00 H new ATOM 801 N LYS A 49 -10.009 1.368 3.158 1.00 0.00 N ATOM 802 CA LYS A 49 -11.449 1.552 3.257 1.00 0.00 C ATOM 803 C LYS A 49 -12.165 0.204 3.221 1.00 0.00 C ATOM 804 O LYS A 49 -13.046 -0.059 4.038 1.00 0.00 O ATOM 805 CB LYS A 49 -11.935 2.459 2.121 1.00 0.00 C ATOM 806 CG LYS A 49 -13.322 3.051 2.337 1.00 0.00 C ATOM 807 CD LYS A 49 -14.434 2.086 1.941 1.00 0.00 C ATOM 808 CE LYS A 49 -15.804 2.695 2.194 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.912 1.867 1.642 1.00 0.00 N ATOM 0 H LYS A 49 -9.580 1.854 2.371 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.682 2.029 4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.222 3.273 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.938 1.888 1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.438 3.324 3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.417 3.968 1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.337 1.827 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.334 1.160 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.949 2.820 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.843 3.689 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.748 2.466 1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.613 1.445 0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.150 1.112 2.316 1.00 0.00 H new ATOM 823 N VAL A 50 -11.765 -0.652 2.286 1.00 0.00 N ATOM 824 CA VAL A 50 -12.370 -1.973 2.156 1.00 0.00 C ATOM 825 C VAL A 50 -11.996 -2.859 3.344 1.00 0.00 C ATOM 826 O VAL A 50 -12.848 -3.561 3.895 1.00 0.00 O ATOM 827 CB VAL A 50 -11.959 -2.664 0.838 1.00 0.00 C ATOM 828 CG1 VAL A 50 -12.681 -3.994 0.681 1.00 0.00 C ATOM 829 CG2 VAL A 50 -12.253 -1.758 -0.346 1.00 0.00 C ATOM 0 H VAL A 50 -11.027 -0.456 1.609 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.451 -1.831 2.141 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.887 -2.859 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.377 -4.465 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.426 -4.647 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.758 -3.824 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.958 -2.258 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.320 -1.536 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.692 -0.829 -0.241 1.00 0.00 H new ATOM 839 N TYR A 51 -10.728 -2.810 3.744 1.00 0.00 N ATOM 840 CA TYR A 51 -10.259 -3.582 4.890 1.00 0.00 C ATOM 841 C TYR A 51 -11.029 -3.204 6.149 1.00 0.00 C ATOM 842 O TYR A 51 -11.501 -4.073 6.877 1.00 0.00 O ATOM 843 CB TYR A 51 -8.754 -3.390 5.117 1.00 0.00 C ATOM 844 CG TYR A 51 -7.883 -4.154 4.140 1.00 0.00 C ATOM 845 CD1 TYR A 51 -8.050 -5.522 3.957 1.00 0.00 C ATOM 846 CD2 TYR A 51 -6.897 -3.511 3.402 1.00 0.00 C ATOM 847 CE1 TYR A 51 -7.261 -6.225 3.068 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.105 -4.208 2.510 1.00 0.00 C ATOM 849 CZ TYR A 51 -6.291 -5.563 2.345 1.00 0.00 C ATOM 850 OH TYR A 51 -5.504 -6.260 1.455 1.00 0.00 O ATOM 0 H TYR A 51 -10.009 -2.245 3.292 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.439 -4.634 4.670 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.518 -2.328 5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.507 -3.704 6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.810 -6.044 4.520 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.747 -2.449 3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.403 -7.288 2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.343 -3.693 1.944 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.872 -5.646 1.027 1.00 0.00 H new ATOM 860 N LYS A 52 -11.168 -1.907 6.391 1.00 0.00 N ATOM 861 CA LYS A 52 -11.890 -1.417 7.560 1.00 0.00 C ATOM 862 C LYS A 52 -13.357 -1.830 7.497 1.00 0.00 C ATOM 863 O LYS A 52 -13.928 -2.292 8.487 1.00 0.00 O ATOM 864 CB LYS A 52 -11.776 0.107 7.644 1.00 0.00 C ATOM 865 CG LYS A 52 -12.269 0.686 8.956 1.00 0.00 C ATOM 866 CD LYS A 52 -12.047 2.187 9.012 1.00 0.00 C ATOM 867 CE LYS A 52 -12.379 2.750 10.383 1.00 0.00 C ATOM 868 NZ LYS A 52 -13.816 2.587 10.727 1.00 0.00 N ATOM 0 H LYS A 52 -10.790 -1.173 5.792 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.446 -1.858 8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.734 0.393 7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.344 0.550 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.330 0.468 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.749 0.208 9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.009 2.411 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.665 2.675 8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.769 2.251 11.136 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.119 3.808 10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.109 3.353 11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.387 2.623 9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.959 1.670 11.197 1.00 0.00 H new ATOM 882 N GLU A 53 -13.946 -1.679 6.317 1.00 0.00 N ATOM 883 CA GLU A 53 -15.342 -2.031 6.091 1.00 0.00 C ATOM 884 C GLU A 53 -15.589 -3.505 6.401 1.00 0.00 C ATOM 885 O GLU A 53 -16.542 -3.853 7.101 1.00 0.00 O ATOM 886 CB GLU A 53 -15.717 -1.722 4.640 1.00 0.00 C ATOM 887 CG GLU A 53 -17.172 -1.984 4.302 1.00 0.00 C ATOM 888 CD GLU A 53 -17.498 -1.627 2.866 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.721 -0.431 2.587 1.00 0.00 O ATOM 890 OE2 GLU A 53 -17.529 -2.537 2.011 1.00 0.00 O ATOM 0 H GLU A 53 -13.471 -1.311 5.493 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.967 -1.439 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.491 -0.676 4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.089 -2.320 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.400 -3.036 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.809 -1.406 4.972 1.00 0.00 H new ATOM 897 N ALA A 54 -14.719 -4.363 5.885 1.00 0.00 N ATOM 898 CA ALA A 54 -14.842 -5.800 6.089 1.00 0.00 C ATOM 899 C ALA A 54 -14.497 -6.195 7.522 1.00 0.00 C ATOM 900 O ALA A 54 -15.157 -7.045 8.110 1.00 0.00 O ATOM 901 CB ALA A 54 -13.957 -6.550 5.103 1.00 0.00 C ATOM 0 H ALA A 54 -13.917 -4.087 5.319 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.882 -6.074 5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.058 -7.623 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.260 -6.308 4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.918 -6.257 5.251 1.00 0.00 H new ATOM 907 N ALA A 55 -13.471 -5.564 8.084 1.00 0.00 N ATOM 908 CA ALA A 55 -12.992 -5.906 9.422 1.00 0.00 C ATOM 909 C ALA A 55 -14.072 -5.710 10.482 1.00 0.00 C ATOM 910 O ALA A 55 -14.270 -6.569 11.343 1.00 0.00 O ATOM 911 CB ALA A 55 -11.763 -5.083 9.776 1.00 0.00 C ATOM 0 H ALA A 55 -12.953 -4.810 7.633 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.726 -6.963 9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.421 -5.351 10.775 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.971 -5.284 9.055 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.016 -4.023 9.752 1.00 0.00 H new ATOM 917 N GLU A 56 -14.774 -4.589 10.414 1.00 0.00 N ATOM 918 CA GLU A 56 -15.796 -4.273 11.406 1.00 0.00 C ATOM 919 C GLU A 56 -17.139 -4.901 11.033 1.00 0.00 C ATOM 920 O GLU A 56 -18.160 -4.635 11.670 1.00 0.00 O ATOM 921 CB GLU A 56 -15.935 -2.756 11.556 1.00 0.00 C ATOM 922 CG GLU A 56 -14.650 -2.070 11.992 1.00 0.00 C ATOM 923 CD GLU A 56 -14.834 -0.592 12.260 1.00 0.00 C ATOM 924 OE1 GLU A 56 -14.802 0.203 11.299 1.00 0.00 O ATOM 925 OE2 GLU A 56 -15.005 -0.213 13.438 1.00 0.00 O ATOM 0 H GLU A 56 -14.657 -3.884 9.686 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.485 -4.694 12.362 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.259 -2.333 10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.717 -2.541 12.284 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.274 -2.554 12.893 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.893 -2.203 11.219 1.00 0.00 H new ATOM 932 N LYS A 57 -17.126 -5.743 10.007 1.00 0.00 N ATOM 933 CA LYS A 57 -18.327 -6.421 9.543 1.00 0.00 C ATOM 934 C LYS A 57 -18.018 -7.903 9.318 1.00 0.00 C ATOM 935 O LYS A 57 -18.754 -8.621 8.636 1.00 0.00 O ATOM 936 CB LYS A 57 -18.819 -5.743 8.255 1.00 0.00 C ATOM 937 CG LYS A 57 -20.175 -6.224 7.755 1.00 0.00 C ATOM 938 CD LYS A 57 -20.767 -5.261 6.732 1.00 0.00 C ATOM 939 CE LYS A 57 -19.851 -5.059 5.530 1.00 0.00 C ATOM 940 NZ LYS A 57 -19.784 -6.256 4.648 1.00 0.00 N ATOM 0 H LYS A 57 -16.286 -5.973 9.476 1.00 0.00 H new ATOM 0 HA LYS A 57 -19.119 -6.353 10.289 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.871 -4.668 8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.080 -5.906 7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -20.069 -7.212 7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -20.859 -6.327 8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -21.730 -5.642 6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -20.955 -4.299 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -20.203 -4.206 4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.848 -4.815 5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.148 -6.063 3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.422 -7.067 5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -20.735 -6.476 4.289 1.00 0.00 H new ATOM 954 N ALA A 58 -16.930 -8.357 9.927 1.00 0.00 N ATOM 955 CA ALA A 58 -16.457 -9.721 9.741 1.00 0.00 C ATOM 956 C ALA A 58 -17.163 -10.685 10.690 1.00 0.00 C ATOM 957 O ALA A 58 -17.898 -10.266 11.585 1.00 0.00 O ATOM 958 CB ALA A 58 -14.951 -9.793 9.941 1.00 0.00 C ATOM 0 H ALA A 58 -16.356 -7.796 10.557 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.692 -10.020 8.719 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.614 -10.820 9.798 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.456 -9.145 9.218 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.702 -9.466 10.951 1.00 0.00 H new ATOM 964 N ARG A 59 -16.925 -11.979 10.502 1.00 0.00 N ATOM 965 CA ARG A 59 -17.567 -12.997 11.325 1.00 0.00 C ATOM 966 C ARG A 59 -16.523 -13.824 12.073 1.00 0.00 C ATOM 967 O ARG A 59 -16.823 -14.901 12.590 1.00 0.00 O ATOM 968 CB ARG A 59 -18.436 -13.913 10.453 1.00 0.00 C ATOM 969 CG ARG A 59 -19.356 -13.162 9.501 1.00 0.00 C ATOM 970 CD ARG A 59 -20.305 -14.101 8.773 1.00 0.00 C ATOM 971 NE ARG A 59 -21.387 -14.564 9.641 1.00 0.00 N ATOM 972 CZ ARG A 59 -22.336 -15.419 9.260 1.00 0.00 C ATOM 973 NH1 ARG A 59 -22.288 -15.975 8.054 1.00 0.00 N ATOM 974 NH2 ARG A 59 -23.318 -15.731 10.099 1.00 0.00 N ATOM 0 H ARG A 59 -16.294 -12.346 9.789 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.201 -12.496 12.057 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.787 -14.570 9.874 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.039 -14.550 11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.932 -12.424 10.059 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.757 -12.615 8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -20.727 -13.591 7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.749 -14.960 8.397 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.417 -14.211 10.597 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -21.524 -15.748 7.418 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -23.015 -16.629 7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.344 -15.317 11.031 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.046 -16.385 9.811 1.00 0.00 H new ATOM 988 N ASN A 60 -15.299 -13.313 12.138 1.00 0.00 N ATOM 989 CA ASN A 60 -14.214 -14.011 12.823 1.00 0.00 C ATOM 990 C ASN A 60 -13.189 -13.018 13.361 1.00 0.00 C ATOM 991 O ASN A 60 -12.609 -12.240 12.600 1.00 0.00 O ATOM 992 CB ASN A 60 -13.533 -15.010 11.882 1.00 0.00 C ATOM 993 CG ASN A 60 -12.413 -15.776 12.566 1.00 0.00 C ATOM 994 OD1 ASN A 60 -11.248 -15.384 12.506 1.00 0.00 O ATOM 995 ND2 ASN A 60 -12.764 -16.858 13.241 1.00 0.00 N ATOM 0 H ASN A 60 -15.032 -12.419 11.726 1.00 0.00 H new ATOM 0 HA ASN A 60 -14.643 -14.559 13.662 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -14.275 -15.714 11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -13.132 -14.478 11.019 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.057 -17.401 13.737 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.741 -17.149 13.266 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.951 -13.038 14.683 1.00 0.00 N ATOM 1003 CA PRO A 61 -12.038 -12.098 15.350 1.00 0.00 C ATOM 1004 C PRO A 61 -10.589 -12.238 14.890 1.00 0.00 C ATOM 1005 O PRO A 61 -9.903 -11.239 14.667 1.00 0.00 O ATOM 1006 CB PRO A 61 -12.153 -12.466 16.834 1.00 0.00 C ATOM 1007 CG PRO A 61 -13.410 -13.258 16.949 1.00 0.00 C ATOM 1008 CD PRO A 61 -13.568 -13.971 15.639 1.00 0.00 C ATOM 0 HA PRO A 61 -12.307 -11.066 15.124 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.291 -13.047 17.163 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.193 -11.573 17.458 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.351 -13.967 17.775 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.264 -12.609 17.146 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.065 -14.938 15.642 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.616 -14.157 15.404 1.00 0.00 H new ATOM 1016 N GLU A 62 -10.129 -13.476 14.733 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.731 -13.735 14.406 1.00 0.00 C ATOM 1018 C GLU A 62 -8.408 -13.230 13.003 1.00 0.00 C ATOM 1019 O GLU A 62 -7.345 -12.655 12.763 1.00 0.00 O ATOM 1020 CB GLU A 62 -8.423 -15.229 14.506 1.00 0.00 C ATOM 1021 CG GLU A 62 -6.937 -15.535 14.631 1.00 0.00 C ATOM 1022 CD GLU A 62 -6.360 -15.084 15.961 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -6.515 -15.819 16.958 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -5.752 -13.989 16.023 1.00 0.00 O ATOM 0 H GLU A 62 -10.703 -14.314 14.827 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.109 -13.200 15.124 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.945 -15.643 15.369 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.817 -15.733 13.623 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.779 -16.607 14.515 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.399 -15.044 13.820 1.00 0.00 H new ATOM 1031 N LYS A 63 -9.334 -13.441 12.078 1.00 0.00 N ATOM 1032 CA LYS A 63 -9.167 -12.962 10.717 1.00 0.00 C ATOM 1033 C LYS A 63 -9.164 -11.438 10.704 1.00 0.00 C ATOM 1034 O LYS A 63 -8.393 -10.814 9.971 1.00 0.00 O ATOM 1035 CB LYS A 63 -10.287 -13.493 9.815 1.00 0.00 C ATOM 1036 CG LYS A 63 -10.012 -13.342 8.324 1.00 0.00 C ATOM 1037 CD LYS A 63 -9.357 -14.589 7.729 1.00 0.00 C ATOM 1038 CE LYS A 63 -7.955 -14.840 8.271 1.00 0.00 C ATOM 1039 NZ LYS A 63 -6.993 -13.787 7.854 1.00 0.00 N ATOM 0 H LYS A 63 -10.207 -13.940 12.247 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.215 -13.328 10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.449 -14.548 10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.212 -12.970 10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.948 -13.141 7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.364 -12.480 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.983 -15.457 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.309 -14.485 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.991 -14.886 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.602 -15.811 7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.288 -14.197 7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.504 -13.022 7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.512 -13.404 8.693 1.00 0.00 H new ATOM 1053 N ARG A 64 -10.025 -10.848 11.536 1.00 0.00 N ATOM 1054 CA ARG A 64 -10.102 -9.399 11.671 1.00 0.00 C ATOM 1055 C ARG A 64 -8.774 -8.847 12.170 1.00 0.00 C ATOM 1056 O ARG A 64 -8.308 -7.820 11.702 1.00 0.00 O ATOM 1057 CB ARG A 64 -11.205 -8.999 12.650 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.438 -7.499 12.714 1.00 0.00 C ATOM 1059 CD ARG A 64 -11.749 -7.030 14.128 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.591 -7.162 15.016 1.00 0.00 N ATOM 1061 CZ ARG A 64 -9.628 -6.240 15.132 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -9.699 -5.107 14.441 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -8.606 -6.446 15.957 1.00 0.00 N ATOM 0 H ARG A 64 -10.681 -11.358 12.128 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.330 -8.984 10.689 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -12.133 -9.492 12.361 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.947 -9.362 13.645 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.554 -6.979 12.346 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.263 -7.232 12.054 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.070 -5.989 14.102 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.581 -7.610 14.528 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.514 -8.008 15.580 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.490 -4.937 13.819 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.963 -4.407 14.532 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.556 -7.307 16.502 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.872 -5.743 16.045 1.00 0.00 H new ATOM 1077 N GLN A 65 -8.186 -9.555 13.125 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.905 -9.208 13.713 1.00 0.00 C ATOM 1079 C GLN A 65 -5.824 -9.071 12.646 1.00 0.00 C ATOM 1080 O GLN A 65 -5.036 -8.123 12.671 1.00 0.00 O ATOM 1081 CB GLN A 65 -6.580 -10.308 14.729 1.00 0.00 C ATOM 1082 CG GLN A 65 -5.260 -10.186 15.451 1.00 0.00 C ATOM 1083 CD GLN A 65 -4.107 -10.838 14.705 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -3.365 -10.178 13.981 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -3.975 -12.147 14.845 1.00 0.00 N ATOM 0 H GLN A 65 -8.596 -10.402 13.518 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.948 -8.237 14.207 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.376 -10.331 15.474 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.599 -11.267 14.212 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.034 -9.131 15.606 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.349 -10.641 16.438 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.610 -12.661 15.455 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.238 -12.642 14.343 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.799 -10.000 11.704 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.829 -9.944 10.621 1.00 0.00 C ATOM 1096 C VAL A 66 -5.106 -8.747 9.714 1.00 0.00 C ATOM 1097 O VAL A 66 -4.197 -7.988 9.374 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.832 -11.240 9.787 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -3.755 -11.192 8.713 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.641 -12.449 10.689 1.00 0.00 C ATOM 0 H VAL A 66 -6.434 -10.797 11.666 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.844 -9.833 11.074 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.799 -11.329 9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.775 -12.117 8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.940 -10.347 8.050 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.778 -11.078 9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.645 -13.357 10.086 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.689 -12.366 11.213 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.452 -12.492 11.416 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.374 -8.576 9.348 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.797 -7.455 8.512 1.00 0.00 C ATOM 1112 C ILE A 67 -6.513 -6.126 9.213 1.00 0.00 C ATOM 1113 O ILE A 67 -6.105 -5.149 8.587 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.303 -7.554 8.178 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.590 -8.840 7.394 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.764 -6.335 7.392 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -10.059 -9.064 7.107 1.00 0.00 C ATOM 0 H ILE A 67 -7.131 -9.204 9.619 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.228 -7.498 7.583 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.861 -7.584 9.114 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.045 -8.809 6.450 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.205 -9.691 7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.827 -6.427 7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.594 -5.435 7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.202 -6.269 6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.183 -9.992 6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.608 -9.128 8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.445 -8.233 6.518 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.722 -6.120 10.522 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.471 -4.954 11.359 1.00 0.00 C ATOM 1131 C ASP A 68 -5.017 -4.521 11.247 1.00 0.00 C ATOM 1132 O ASP A 68 -4.723 -3.343 11.064 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.810 -5.289 12.813 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.613 -4.129 13.765 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -7.552 -3.317 13.928 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.538 -4.049 14.392 1.00 0.00 O ATOM 0 H ASP A 68 -7.072 -6.928 11.036 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.101 -4.131 11.020 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.847 -5.621 12.868 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.190 -6.124 13.138 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.110 -5.487 11.342 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.684 -5.204 11.194 1.00 0.00 C ATOM 1143 C LYS A 69 -2.337 -4.747 9.780 1.00 0.00 C ATOM 1144 O LYS A 69 -1.492 -3.869 9.602 1.00 0.00 O ATOM 1145 CB LYS A 69 -1.848 -6.421 11.582 1.00 0.00 C ATOM 1146 CG LYS A 69 -1.818 -6.654 13.080 1.00 0.00 C ATOM 1147 CD LYS A 69 -0.966 -7.850 13.458 1.00 0.00 C ATOM 1148 CE LYS A 69 -0.945 -8.043 14.965 1.00 0.00 C ATOM 1149 NZ LYS A 69 -2.316 -8.190 15.516 1.00 0.00 N ATOM 0 H LYS A 69 -4.333 -6.466 11.519 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.446 -4.384 11.871 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.250 -7.306 11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.829 -6.288 11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.432 -5.764 13.577 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.835 -6.805 13.443 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.357 -8.747 12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.050 -7.709 13.091 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.357 -8.927 15.211 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.453 -7.191 15.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.276 -8.721 16.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.723 -7.249 15.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.911 -8.703 14.834 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.978 -5.336 8.779 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.793 -4.894 7.399 1.00 0.00 C ATOM 1165 C ILE A 70 -3.251 -3.444 7.255 1.00 0.00 C ATOM 1166 O ILE A 70 -2.584 -2.629 6.620 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.574 -5.790 6.409 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -3.052 -7.230 6.469 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -3.473 -5.241 4.990 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -3.802 -8.192 5.569 1.00 0.00 C ATOM 0 H ILE A 70 -3.626 -6.115 8.893 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.732 -4.971 7.159 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.625 -5.790 6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.998 -7.236 6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.114 -7.586 7.497 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.029 -5.886 4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.891 -4.235 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.427 -5.209 4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.375 -9.190 5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.853 -8.217 5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.719 -7.862 4.534 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.380 -3.135 7.871 1.00 0.00 N ATOM 1183 CA LEU A 71 -4.915 -1.780 7.886 1.00 0.00 C ATOM 1184 C LEU A 71 -3.946 -0.852 8.618 1.00 0.00 C ATOM 1185 O LEU A 71 -3.635 0.240 8.144 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.289 -1.794 8.572 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.195 -0.579 8.333 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -8.613 -0.910 8.757 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.708 0.644 9.096 1.00 0.00 C ATOM 0 H LEU A 71 -4.952 -3.813 8.374 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.034 -1.411 6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.823 -2.686 8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.131 -1.894 9.646 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.167 -0.345 7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.255 -0.046 8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.979 -1.755 8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.625 -1.168 9.816 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.375 1.484 8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.700 0.427 10.164 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.700 0.899 8.770 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.471 -1.312 9.771 1.00 0.00 N ATOM 1202 CA GLU A 72 -2.528 -0.559 10.588 1.00 0.00 C ATOM 1203 C GLU A 72 -1.255 -0.261 9.794 1.00 0.00 C ATOM 1204 O GLU A 72 -0.715 0.847 9.852 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.190 -1.359 11.853 1.00 0.00 C ATOM 1206 CG GLU A 72 -1.447 -0.564 12.914 1.00 0.00 C ATOM 1207 CD GLU A 72 -2.285 0.555 13.499 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -2.426 1.597 12.834 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -2.789 0.403 14.635 1.00 0.00 O ATOM 0 H GLU A 72 -3.729 -2.217 10.165 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.984 0.389 10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.115 -1.743 12.284 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.586 -2.222 11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.136 -1.236 13.714 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.540 -0.144 12.479 1.00 0.00 H new ATOM 1216 N ASP A 73 -0.790 -1.256 9.045 1.00 0.00 N ATOM 1217 CA ASP A 73 0.395 -1.107 8.204 1.00 0.00 C ATOM 1218 C ASP A 73 0.108 -0.167 7.044 1.00 0.00 C ATOM 1219 O ASP A 73 0.905 0.709 6.720 1.00 0.00 O ATOM 1220 CB ASP A 73 0.820 -2.458 7.631 1.00 0.00 C ATOM 1221 CG ASP A 73 2.221 -2.446 7.053 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.907 -1.429 7.066 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.678 -3.451 6.509 1.00 0.00 O ATOM 0 H ASP A 73 -1.219 -2.181 9.003 1.00 0.00 H new ATOM 0 HA ASP A 73 1.193 -0.700 8.825 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.764 -3.212 8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.115 -2.754 6.854 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.040 -0.361 6.422 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.415 0.408 5.250 1.00 0.00 C ATOM 1230 C GLU A 74 -1.569 1.887 5.611 1.00 0.00 C ATOM 1231 O GLU A 74 -1.134 2.759 4.856 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.700 -0.167 4.646 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.713 -0.192 3.122 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.484 -0.855 2.521 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.379 -2.108 2.525 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.606 -0.132 2.033 1.00 0.00 O ATOM 0 H GLU A 74 -1.734 -1.050 6.712 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.628 0.337 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.841 -1.182 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.548 0.421 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.604 -0.719 2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.785 0.830 2.749 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.150 2.174 6.782 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.202 3.548 7.276 1.00 0.00 C ATOM 1245 C GLU A 75 -0.794 4.052 7.590 1.00 0.00 C ATOM 1246 O GLU A 75 -0.481 5.225 7.383 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.090 3.690 8.530 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.533 4.151 8.259 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.652 5.030 7.025 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -3.694 5.740 6.697 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.608 4.833 6.251 1.00 0.00 O ATOM 0 H GLU A 75 -2.583 1.483 7.394 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.646 4.152 6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.122 2.729 9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.620 4.400 9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.172 3.276 8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.903 4.699 9.126 1.00 0.00 H new ATOM 1258 N LYS A 76 0.051 3.147 8.075 1.00 0.00 N ATOM 1259 CA LYS A 76 1.434 3.471 8.410 1.00 0.00 C ATOM 1260 C LYS A 76 2.188 3.951 7.172 1.00 0.00 C ATOM 1261 O LYS A 76 3.031 4.849 7.253 1.00 0.00 O ATOM 1262 CB LYS A 76 2.117 2.238 9.009 1.00 0.00 C ATOM 1263 CG LYS A 76 3.544 2.465 9.478 1.00 0.00 C ATOM 1264 CD LYS A 76 4.143 1.183 10.033 1.00 0.00 C ATOM 1265 CE LYS A 76 5.533 1.410 10.606 1.00 0.00 C ATOM 1266 NZ LYS A 76 6.091 0.177 11.223 1.00 0.00 N ATOM 0 H LYS A 76 -0.202 2.174 8.246 1.00 0.00 H new ATOM 0 HA LYS A 76 1.443 4.277 9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.524 1.885 9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.116 1.442 8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.151 2.825 8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.560 3.240 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.491 0.784 10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.194 0.434 9.243 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.200 1.753 9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.492 2.202 11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.039 0.376 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.469 -0.137 11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.155 -0.572 10.505 1.00 0.00 H new ATOM 1280 N HIS A 77 1.874 3.349 6.026 1.00 0.00 N ATOM 1281 CA HIS A 77 2.469 3.752 4.754 1.00 0.00 C ATOM 1282 C HIS A 77 2.011 5.153 4.391 1.00 0.00 C ATOM 1283 O HIS A 77 2.811 6.025 4.040 1.00 0.00 O ATOM 1284 CB HIS A 77 2.044 2.815 3.623 1.00 0.00 C ATOM 1285 CG HIS A 77 2.362 1.376 3.840 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.727 0.350 3.175 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.255 0.795 4.675 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.239 -0.802 3.627 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.173 -0.590 4.538 1.00 0.00 N ATOM 0 H HIS A 77 1.209 2.579 5.953 1.00 0.00 H new ATOM 0 HA HIS A 77 3.552 3.714 4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.969 2.915 3.474 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.525 3.142 2.701 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.924 1.320 5.341 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.928 -1.780 3.290 1.00 0.00 H new ATOM 1296 N ILE A 78 0.704 5.349 4.488 1.00 0.00 N ATOM 1297 CA ILE A 78 0.075 6.614 4.151 1.00 0.00 C ATOM 1298 C ILE A 78 0.639 7.745 5.001 1.00 0.00 C ATOM 1299 O ILE A 78 0.797 8.859 4.519 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.457 6.535 4.309 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -2.000 5.414 3.418 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.108 7.870 3.958 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.485 5.172 3.561 1.00 0.00 C ATOM 0 H ILE A 78 0.050 4.633 4.803 1.00 0.00 H new ATOM 0 HA ILE A 78 0.298 6.825 3.105 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.698 6.314 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.781 5.654 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.469 4.491 3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.189 7.790 4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.726 8.646 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.875 8.128 2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.788 4.363 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.712 4.899 4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.028 6.080 3.299 1.00 0.00 H new ATOM 1315 N GLU A 79 0.955 7.451 6.260 1.00 0.00 N ATOM 1316 CA GLU A 79 1.551 8.443 7.153 1.00 0.00 C ATOM 1317 C GLU A 79 2.822 9.037 6.543 1.00 0.00 C ATOM 1318 O GLU A 79 3.046 10.245 6.617 1.00 0.00 O ATOM 1319 CB GLU A 79 1.889 7.819 8.508 1.00 0.00 C ATOM 1320 CG GLU A 79 0.678 7.380 9.309 1.00 0.00 C ATOM 1321 CD GLU A 79 1.055 6.850 10.676 1.00 0.00 C ATOM 1322 OE1 GLU A 79 1.258 7.670 11.598 1.00 0.00 O ATOM 1323 OE2 GLU A 79 1.152 5.618 10.840 1.00 0.00 O ATOM 0 H GLU A 79 0.809 6.535 6.685 1.00 0.00 H new ATOM 0 HA GLU A 79 0.818 9.238 7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.536 6.957 8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.458 8.540 9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.004 8.223 9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.141 6.608 8.758 1.00 0.00 H new ATOM 1330 N TRP A 80 3.632 8.186 5.922 1.00 0.00 N ATOM 1331 CA TRP A 80 4.871 8.632 5.297 1.00 0.00 C ATOM 1332 C TRP A 80 4.574 9.503 4.083 1.00 0.00 C ATOM 1333 O TRP A 80 5.095 10.611 3.955 1.00 0.00 O ATOM 1334 CB TRP A 80 5.722 7.422 4.890 1.00 0.00 C ATOM 1335 CG TRP A 80 6.950 7.778 4.112 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.321 7.254 2.913 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.961 8.733 4.465 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.502 7.817 2.493 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.912 8.730 3.429 1.00 0.00 C ATOM 1340 CE3 TRP A 80 8.152 9.593 5.552 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 10.040 9.550 3.448 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 9.272 10.404 5.571 1.00 0.00 C ATOM 1343 CH2 TRP A 80 10.201 10.379 4.524 1.00 0.00 C ATOM 0 H TRP A 80 3.453 7.185 5.838 1.00 0.00 H new ATOM 0 HA TRP A 80 5.430 9.228 6.019 1.00 0.00 H new ATOM 0 HB2 TRP A 80 6.017 6.879 5.788 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.111 6.744 4.295 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.767 6.503 2.369 1.00 0.00 H new ATOM 0 HE1 TRP A 80 8.993 7.592 1.627 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.438 9.623 6.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.760 9.531 2.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 9.433 11.068 6.408 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.063 11.028 4.567 1.00 0.00 H new ATOM 1354 N HIS A 81 3.713 9.001 3.209 1.00 0.00 N ATOM 1355 CA HIS A 81 3.346 9.717 1.994 1.00 0.00 C ATOM 1356 C HIS A 81 2.626 11.028 2.320 1.00 0.00 C ATOM 1357 O HIS A 81 2.794 12.036 1.630 1.00 0.00 O ATOM 1358 CB HIS A 81 2.475 8.824 1.103 1.00 0.00 C ATOM 1359 CG HIS A 81 3.239 7.709 0.455 1.00 0.00 C ATOM 1360 ND1 HIS A 81 4.054 7.886 -0.637 1.00 0.00 N ATOM 1361 CD2 HIS A 81 3.328 6.390 0.776 1.00 0.00 C ATOM 1362 CE1 HIS A 81 4.603 6.706 -0.942 1.00 0.00 C ATOM 1363 NE2 HIS A 81 4.197 5.763 -0.114 1.00 0.00 N ATOM 0 H HIS A 81 3.254 8.097 3.319 1.00 0.00 H new ATOM 0 HA HIS A 81 4.259 9.969 1.454 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.668 8.402 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.012 9.436 0.329 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.213 8.765 -1.129 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.808 5.907 1.590 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.290 6.546 -1.760 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.464 4.779 -0.123 1.00 0.00 H new ATOM 1371 N LYS A 82 1.843 11.009 3.389 1.00 0.00 N ATOM 1372 CA LYS A 82 1.100 12.182 3.830 1.00 0.00 C ATOM 1373 C LYS A 82 2.042 13.218 4.442 1.00 0.00 C ATOM 1374 O LYS A 82 1.841 14.425 4.283 1.00 0.00 O ATOM 1375 CB LYS A 82 0.032 11.772 4.848 1.00 0.00 C ATOM 1376 CG LYS A 82 -0.932 12.887 5.208 1.00 0.00 C ATOM 1377 CD LYS A 82 -1.957 12.429 6.232 1.00 0.00 C ATOM 1378 CE LYS A 82 -2.956 13.530 6.546 1.00 0.00 C ATOM 1379 NZ LYS A 82 -2.289 14.749 7.071 1.00 0.00 N ATOM 0 H LYS A 82 1.705 10.184 3.973 1.00 0.00 H new ATOM 0 HA LYS A 82 0.613 12.630 2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.534 10.931 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.524 11.423 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.376 13.737 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.443 13.232 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.485 11.553 5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.449 12.125 7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.515 13.781 5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.678 13.167 7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.003 15.388 7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.606 14.481 7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.791 15.233 6.297 1.00 0.00 H new ATOM 1393 N ALA A 83 3.066 12.738 5.142 1.00 0.00 N ATOM 1394 CA ALA A 83 4.063 13.613 5.751 1.00 0.00 C ATOM 1395 C ALA A 83 4.912 14.287 4.683 1.00 0.00 C ATOM 1396 O ALA A 83 5.408 15.398 4.878 1.00 0.00 O ATOM 1397 CB ALA A 83 4.946 12.828 6.708 1.00 0.00 C ATOM 0 H ALA A 83 3.227 11.744 5.302 1.00 0.00 H new ATOM 0 HA ALA A 83 3.540 14.386 6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.684 13.496 7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.331 12.391 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.457 12.034 6.163 1.00 0.00 H new ATOM 1403 N ALA A 84 5.085 13.603 3.557 1.00 0.00 N ATOM 1404 CA ALA A 84 5.790 14.168 2.417 1.00 0.00 C ATOM 1405 C ALA A 84 4.926 15.222 1.734 1.00 0.00 C ATOM 1406 O ALA A 84 5.441 16.184 1.163 1.00 0.00 O ATOM 1407 CB ALA A 84 6.172 13.073 1.430 1.00 0.00 C ATOM 0 H ALA A 84 4.744 12.653 3.411 1.00 0.00 H new ATOM 0 HA ALA A 84 6.704 14.643 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.699 13.514 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.820 12.349 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.271 12.572 1.076 1.00 0.00 H new ATOM 1413 N SER A 85 3.608 15.009 1.797 1.00 0.00 N ATOM 1414 CA SER A 85 2.613 15.941 1.262 1.00 0.00 C ATOM 1415 C SER A 85 2.614 15.933 -0.268 1.00 0.00 C ATOM 1416 O SER A 85 1.614 15.577 -0.896 1.00 0.00 O ATOM 1417 CB SER A 85 2.851 17.359 1.809 1.00 0.00 C ATOM 1418 OG SER A 85 1.824 18.254 1.410 1.00 0.00 O ATOM 0 H SER A 85 3.199 14.178 2.224 1.00 0.00 H new ATOM 0 HA SER A 85 1.628 15.610 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.902 17.326 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.814 17.729 1.456 1.00 0.00 H new ATOM 0 HG SER A 85 2.006 19.145 1.776 1.00 0.00 H new ATOM 1424 N LYS A 86 3.735 16.316 -0.858 1.00 0.00 N ATOM 1425 CA LYS A 86 3.886 16.324 -2.303 1.00 0.00 C ATOM 1426 C LYS A 86 5.247 15.768 -2.689 1.00 0.00 C ATOM 1427 O LYS A 86 5.343 14.763 -3.387 1.00 0.00 O ATOM 1428 CB LYS A 86 3.732 17.739 -2.865 1.00 0.00 C ATOM 1429 CG LYS A 86 2.296 18.235 -2.917 1.00 0.00 C ATOM 1430 CD LYS A 86 2.207 19.621 -3.541 1.00 0.00 C ATOM 1431 CE LYS A 86 2.921 19.676 -4.886 1.00 0.00 C ATOM 1432 NZ LYS A 86 2.686 20.961 -5.596 1.00 0.00 N ATOM 0 H LYS A 86 4.563 16.629 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 86 3.102 15.696 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.320 18.426 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.151 17.766 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.689 17.536 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.882 18.261 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.160 19.895 -3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.646 20.354 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.991 19.538 -4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.580 18.850 -5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.191 20.953 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.667 21.082 -5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.035 21.748 -5.013 1.00 0.00 H new ATOM 1446 N GLN A 87 6.293 16.426 -2.216 1.00 0.00 N ATOM 1447 CA GLN A 87 7.655 16.030 -2.527 1.00 0.00 C ATOM 1448 C GLN A 87 8.581 16.394 -1.374 1.00 0.00 C ATOM 1449 O GLN A 87 8.200 17.157 -0.488 1.00 0.00 O ATOM 1450 CB GLN A 87 8.132 16.709 -3.820 1.00 0.00 C ATOM 1451 CG GLN A 87 8.449 18.199 -3.690 1.00 0.00 C ATOM 1452 CD GLN A 87 7.250 19.056 -3.327 1.00 0.00 C ATOM 1453 OE1 GLN A 87 6.502 19.502 -4.195 1.00 0.00 O ATOM 1454 NE2 GLN A 87 7.070 19.310 -2.039 1.00 0.00 N ATOM 0 H GLN A 87 6.222 17.244 -1.610 1.00 0.00 H new ATOM 0 HA GLN A 87 7.677 14.950 -2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.024 16.193 -4.175 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.365 16.582 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.220 18.331 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.865 18.555 -4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.712 18.922 -1.348 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.289 19.894 -1.739 1.00 0.00 H new ATOM 1463 N GLY A 88 9.793 15.863 -1.397 1.00 0.00 N ATOM 1464 CA GLY A 88 10.758 16.174 -0.364 1.00 0.00 C ATOM 1465 C GLY A 88 12.165 15.840 -0.802 1.00 0.00 C ATOM 1466 O GLY A 88 12.583 16.210 -1.902 1.00 0.00 O ATOM 0 H GLY A 88 10.127 15.220 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.696 17.233 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.516 15.617 0.541 1.00 0.00 H new ATOM 1470 N ASN A 89 12.890 15.130 0.048 1.00 0.00 N ATOM 1471 CA ASN A 89 14.246 14.702 -0.266 1.00 0.00 C ATOM 1472 C ASN A 89 14.205 13.498 -1.212 1.00 0.00 C ATOM 1473 O ASN A 89 13.180 12.826 -1.318 1.00 0.00 O ATOM 1474 CB ASN A 89 14.990 14.371 1.032 1.00 0.00 C ATOM 1475 CG ASN A 89 16.451 14.039 0.814 1.00 0.00 C ATOM 1476 OD1 ASN A 89 17.075 14.494 -0.145 1.00 0.00 O ATOM 1477 ND2 ASN A 89 17.014 13.268 1.724 1.00 0.00 N ATOM 0 H ASN A 89 12.560 14.836 0.967 1.00 0.00 H new ATOM 0 HA ASN A 89 14.782 15.506 -0.771 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.914 15.219 1.713 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.501 13.527 1.518 1.00 0.00 H new ATOM 0 HD21 ASN A 89 18.002 13.028 1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.461 12.912 2.503 1.00 0.00 H new ATOM 1484 N ALA A 90 15.307 13.232 -1.900 1.00 0.00 N ATOM 1485 CA ALA A 90 15.316 12.238 -2.967 1.00 0.00 C ATOM 1486 C ALA A 90 15.688 10.840 -2.470 1.00 0.00 C ATOM 1487 O ALA A 90 14.817 9.992 -2.278 1.00 0.00 O ATOM 1488 CB ALA A 90 16.259 12.674 -4.079 1.00 0.00 C ATOM 0 H ALA A 90 16.205 13.689 -1.740 1.00 0.00 H new ATOM 0 HA ALA A 90 14.299 12.174 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 90 16.259 11.925 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 90 15.927 13.630 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.268 12.780 -3.680 1.00 0.00 H new ATOM 1494 N GLU A 91 16.981 10.609 -2.249 1.00 0.00 N ATOM 1495 CA GLU A 91 17.481 9.264 -1.949 1.00 0.00 C ATOM 1496 C GLU A 91 16.931 8.717 -0.632 1.00 0.00 C ATOM 1497 O GLU A 91 16.660 7.518 -0.518 1.00 0.00 O ATOM 1498 CB GLU A 91 19.023 9.214 -1.977 1.00 0.00 C ATOM 1499 CG GLU A 91 19.735 10.515 -1.606 1.00 0.00 C ATOM 1500 CD GLU A 91 19.533 10.920 -0.161 1.00 0.00 C ATOM 1501 OE1 GLU A 91 18.533 11.597 0.132 1.00 0.00 O ATOM 1502 OE2 GLU A 91 20.374 10.564 0.686 1.00 0.00 O ATOM 0 H GLU A 91 17.701 11.331 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 91 17.112 8.611 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.355 8.432 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.341 8.920 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 91 20.802 10.404 -1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 91 19.375 11.315 -2.253 1.00 0.00 H new ATOM 1509 N GLN A 92 16.765 9.588 0.352 1.00 0.00 N ATOM 1510 CA GLN A 92 16.151 9.209 1.620 1.00 0.00 C ATOM 1511 C GLN A 92 14.739 8.672 1.389 1.00 0.00 C ATOM 1512 O GLN A 92 14.388 7.592 1.864 1.00 0.00 O ATOM 1513 CB GLN A 92 16.101 10.420 2.549 1.00 0.00 C ATOM 1514 CG GLN A 92 15.436 10.159 3.887 1.00 0.00 C ATOM 1515 CD GLN A 92 15.227 11.435 4.676 1.00 0.00 C ATOM 1516 OE1 GLN A 92 15.042 12.511 4.099 1.00 0.00 O ATOM 1517 NE2 GLN A 92 15.261 11.330 5.994 1.00 0.00 N ATOM 0 H GLN A 92 17.048 10.567 0.298 1.00 0.00 H new ATOM 0 HA GLN A 92 16.751 8.424 2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 92 17.118 10.769 2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.570 11.227 2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.475 9.672 3.725 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.049 9.470 4.468 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.417 10.421 6.429 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.132 12.158 6.575 1.00 0.00 H new ATOM 1526 N PHE A 93 13.951 9.427 0.632 1.00 0.00 N ATOM 1527 CA PHE A 93 12.577 9.051 0.315 1.00 0.00 C ATOM 1528 C PHE A 93 12.552 7.747 -0.473 1.00 0.00 C ATOM 1529 O PHE A 93 11.779 6.841 -0.165 1.00 0.00 O ATOM 1530 CB PHE A 93 11.910 10.186 -0.477 1.00 0.00 C ATOM 1531 CG PHE A 93 10.528 9.887 -0.986 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.445 9.851 -0.122 1.00 0.00 C ATOM 1533 CD2 PHE A 93 10.312 9.660 -2.334 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.172 9.592 -0.595 1.00 0.00 C ATOM 1535 CE2 PHE A 93 9.043 9.403 -2.814 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.972 9.367 -1.944 1.00 0.00 C ATOM 0 H PHE A 93 14.244 10.314 0.222 1.00 0.00 H new ATOM 0 HA PHE A 93 12.021 8.892 1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.862 11.071 0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.546 10.437 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.597 10.027 0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.146 9.684 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.336 9.566 0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.889 9.230 -3.869 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.979 9.163 -2.317 1.00 0.00 H new ATOM 1546 N ALA A 94 13.430 7.655 -1.466 1.00 0.00 N ATOM 1547 CA ALA A 94 13.533 6.469 -2.309 1.00 0.00 C ATOM 1548 C ALA A 94 13.810 5.221 -1.475 1.00 0.00 C ATOM 1549 O ALA A 94 13.204 4.172 -1.692 1.00 0.00 O ATOM 1550 CB ALA A 94 14.622 6.659 -3.353 1.00 0.00 C ATOM 0 H ALA A 94 14.087 8.396 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 94 12.577 6.330 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.689 5.767 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.382 7.520 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.577 6.827 -2.856 1.00 0.00 H new ATOM 1556 N SER A 95 14.712 5.351 -0.507 1.00 0.00 N ATOM 1557 CA SER A 95 15.073 4.237 0.364 1.00 0.00 C ATOM 1558 C SER A 95 13.852 3.721 1.127 1.00 0.00 C ATOM 1559 O SER A 95 13.650 2.511 1.256 1.00 0.00 O ATOM 1560 CB SER A 95 16.166 4.671 1.346 1.00 0.00 C ATOM 1561 OG SER A 95 17.310 5.155 0.657 1.00 0.00 O ATOM 0 H SER A 95 15.208 6.219 -0.305 1.00 0.00 H new ATOM 0 HA SER A 95 15.453 3.426 -0.257 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.779 5.448 2.005 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.447 3.828 1.977 1.00 0.00 H new ATOM 0 HG SER A 95 17.104 6.023 0.251 1.00 0.00 H new ATOM 1567 N LEU A 96 13.028 4.646 1.612 1.00 0.00 N ATOM 1568 CA LEU A 96 11.821 4.280 2.341 1.00 0.00 C ATOM 1569 C LEU A 96 10.766 3.712 1.398 1.00 0.00 C ATOM 1570 O LEU A 96 9.992 2.837 1.783 1.00 0.00 O ATOM 1571 CB LEU A 96 11.269 5.471 3.134 1.00 0.00 C ATOM 1572 CG LEU A 96 11.888 5.657 4.527 1.00 0.00 C ATOM 1573 CD1 LEU A 96 13.332 6.123 4.426 1.00 0.00 C ATOM 1574 CD2 LEU A 96 11.067 6.632 5.354 1.00 0.00 C ATOM 0 H LEU A 96 13.175 5.651 1.513 1.00 0.00 H new ATOM 0 HA LEU A 96 12.086 3.501 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.430 6.381 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.191 5.349 3.244 1.00 0.00 H new ATOM 0 HG LEU A 96 11.881 4.690 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.745 6.247 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.916 5.382 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.371 7.075 3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.523 6.749 6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.035 7.599 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 96 10.053 6.249 5.468 1.00 0.00 H new ATOM 1586 N VAL A 97 10.743 4.200 0.160 1.00 0.00 N ATOM 1587 CA VAL A 97 9.840 3.656 -0.854 1.00 0.00 C ATOM 1588 C VAL A 97 10.170 2.191 -1.123 1.00 0.00 C ATOM 1589 O VAL A 97 9.273 1.359 -1.256 1.00 0.00 O ATOM 1590 CB VAL A 97 9.906 4.450 -2.180 1.00 0.00 C ATOM 1591 CG1 VAL A 97 9.030 3.806 -3.248 1.00 0.00 C ATOM 1592 CG2 VAL A 97 9.484 5.892 -1.960 1.00 0.00 C ATOM 0 H VAL A 97 11.334 4.965 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 97 8.827 3.743 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 97 10.939 4.434 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.095 4.385 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.372 2.788 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.995 3.784 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.537 6.435 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.462 5.918 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.150 6.359 -1.235 1.00 0.00 H new ATOM 1602 N GLN A 98 11.461 1.874 -1.178 1.00 0.00 N ATOM 1603 CA GLN A 98 11.908 0.494 -1.360 1.00 0.00 C ATOM 1604 C GLN A 98 11.357 -0.395 -0.249 1.00 0.00 C ATOM 1605 O GLN A 98 11.025 -1.559 -0.478 1.00 0.00 O ATOM 1606 CB GLN A 98 13.435 0.413 -1.366 1.00 0.00 C ATOM 1607 CG GLN A 98 14.096 1.223 -2.471 1.00 0.00 C ATOM 1608 CD GLN A 98 15.609 1.111 -2.450 1.00 0.00 C ATOM 1609 OE1 GLN A 98 16.111 -0.037 -2.020 1.00 0.00 O flip ATOM 1610 NE2 GLN A 98 16.321 2.043 -2.823 1.00 0.00 N flip ATOM 0 H GLN A 98 12.217 2.554 -1.099 1.00 0.00 H new ATOM 0 HA GLN A 98 11.532 0.145 -2.322 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.810 0.759 -0.403 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.732 -0.631 -1.468 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.723 0.884 -3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.811 2.270 -2.369 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.896 2.912 -3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.336 1.947 -2.808 1.00 0.00 H new ATOM 1619 N GLN A 99 11.255 0.162 0.955 1.00 0.00 N ATOM 1620 CA GLN A 99 10.698 -0.571 2.086 1.00 0.00 C ATOM 1621 C GLN A 99 9.218 -0.847 1.853 1.00 0.00 C ATOM 1622 O GLN A 99 8.732 -1.934 2.150 1.00 0.00 O ATOM 1623 CB GLN A 99 10.888 0.204 3.397 1.00 0.00 C ATOM 1624 CG GLN A 99 12.341 0.506 3.741 1.00 0.00 C ATOM 1625 CD GLN A 99 13.213 -0.735 3.787 1.00 0.00 C ATOM 1626 OE1 GLN A 99 13.311 -1.404 4.816 1.00 0.00 O ATOM 1627 NE2 GLN A 99 13.877 -1.036 2.680 1.00 0.00 N ATOM 0 H GLN A 99 11.550 1.114 1.171 1.00 0.00 H new ATOM 0 HA GLN A 99 11.232 -1.518 2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.339 1.143 3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.445 -0.369 4.212 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.746 1.200 3.004 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.382 1.008 4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.769 -0.457 1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.496 -1.847 2.661 1.00 0.00 H new ATOM 1636 N HIS A 100 8.516 0.139 1.300 1.00 0.00 N ATOM 1637 CA HIS A 100 7.097 0.001 0.969 1.00 0.00 C ATOM 1638 C HIS A 100 6.909 -1.155 -0.020 1.00 0.00 C ATOM 1639 O HIS A 100 5.982 -1.954 0.111 1.00 0.00 O ATOM 1640 CB HIS A 100 6.583 1.321 0.367 1.00 0.00 C ATOM 1641 CG HIS A 100 5.091 1.535 0.436 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.499 2.776 0.330 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.068 0.651 0.584 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.175 2.619 0.417 1.00 0.00 C ATOM 1645 NE2 HIS A 100 2.852 1.344 0.572 1.00 0.00 N ATOM 0 H HIS A 100 8.910 1.051 1.069 1.00 0.00 H new ATOM 0 HA HIS A 100 6.526 -0.219 1.871 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.074 2.148 0.880 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.890 1.366 -0.678 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.177 -0.418 0.694 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.461 3.427 0.367 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.915 0.950 0.663 1.00 0.00 H new ATOM 1653 N LEU A 101 7.821 -1.247 -0.988 1.00 0.00 N ATOM 1654 CA LEU A 101 7.814 -2.328 -1.972 1.00 0.00 C ATOM 1655 C LEU A 101 7.931 -3.698 -1.303 1.00 0.00 C ATOM 1656 O LEU A 101 7.189 -4.624 -1.630 1.00 0.00 O ATOM 1657 CB LEU A 101 8.965 -2.150 -2.972 1.00 0.00 C ATOM 1658 CG LEU A 101 8.638 -1.352 -4.240 1.00 0.00 C ATOM 1659 CD1 LEU A 101 7.454 -1.964 -4.975 1.00 0.00 C ATOM 1660 CD2 LEU A 101 8.368 0.106 -3.913 1.00 0.00 C ATOM 0 H LEU A 101 8.581 -0.578 -1.111 1.00 0.00 H new ATOM 0 HA LEU A 101 6.861 -2.282 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.792 -1.657 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.317 -3.138 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 101 9.508 -1.396 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.241 -1.381 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.692 -2.989 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.580 -1.961 -4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.139 0.648 -4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.522 0.175 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.250 0.543 -3.444 1.00 0.00 H new ATOM 1672 N GLN A 102 8.882 -3.824 -0.385 1.00 0.00 N ATOM 1673 CA GLN A 102 9.094 -5.067 0.342 1.00 0.00 C ATOM 1674 C GLN A 102 7.922 -5.352 1.280 1.00 0.00 C ATOM 1675 O GLN A 102 7.497 -6.494 1.444 1.00 0.00 O ATOM 1676 CB GLN A 102 10.386 -4.969 1.154 1.00 0.00 C ATOM 1677 CG GLN A 102 11.629 -4.659 0.332 1.00 0.00 C ATOM 1678 CD GLN A 102 12.085 -5.819 -0.534 1.00 0.00 C ATOM 1679 OE1 GLN A 102 11.284 -6.632 -0.994 1.00 0.00 O ATOM 1680 NE2 GLN A 102 13.388 -5.911 -0.750 1.00 0.00 N ATOM 0 H GLN A 102 9.522 -3.073 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 102 9.170 -5.882 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.265 -4.195 1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.541 -5.910 1.681 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.429 -3.797 -0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.439 -4.377 1.005 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.021 -5.218 -0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.759 -6.675 -1.315 1.00 0.00 H new ATOM 1689 N ASP A 103 7.409 -4.286 1.877 1.00 0.00 N ATOM 1690 CA ASP A 103 6.377 -4.370 2.908 1.00 0.00 C ATOM 1691 C ASP A 103 5.062 -4.936 2.368 1.00 0.00 C ATOM 1692 O ASP A 103 4.493 -5.860 2.956 1.00 0.00 O ATOM 1693 CB ASP A 103 6.152 -2.970 3.494 1.00 0.00 C ATOM 1694 CG ASP A 103 5.062 -2.911 4.542 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.897 -3.163 4.248 1.00 0.00 O ATOM 1696 OD2 ASP A 103 5.316 -2.539 5.696 1.00 0.00 O ATOM 0 H ASP A 103 7.697 -3.332 1.661 1.00 0.00 H new ATOM 0 HA ASP A 103 6.720 -5.057 3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.085 -2.617 3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.902 -2.284 2.685 1.00 0.00 H new ATOM 1701 N GLU A 104 4.591 -4.394 1.247 1.00 0.00 N ATOM 1702 CA GLU A 104 3.279 -4.764 0.702 1.00 0.00 C ATOM 1703 C GLU A 104 3.219 -6.235 0.315 1.00 0.00 C ATOM 1704 O GLU A 104 2.140 -6.826 0.272 1.00 0.00 O ATOM 1705 CB GLU A 104 2.936 -3.900 -0.511 1.00 0.00 C ATOM 1706 CG GLU A 104 2.844 -2.417 -0.200 1.00 0.00 C ATOM 1707 CD GLU A 104 1.619 -2.026 0.614 1.00 0.00 C ATOM 1708 OE1 GLU A 104 1.018 -2.886 1.310 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.251 -0.836 0.584 1.00 0.00 O ATOM 0 H GLU A 104 5.094 -3.698 0.697 1.00 0.00 H new ATOM 0 HA GLU A 104 2.546 -4.591 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.692 -4.054 -1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.985 -4.234 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.739 -2.115 0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.837 -1.860 -1.137 1.00 0.00 H new ATOM 1716 N GLN A 105 4.378 -6.831 0.062 1.00 0.00 N ATOM 1717 CA GLN A 105 4.452 -8.237 -0.317 1.00 0.00 C ATOM 1718 C GLN A 105 3.881 -9.115 0.791 1.00 0.00 C ATOM 1719 O GLN A 105 3.274 -10.148 0.526 1.00 0.00 O ATOM 1720 CB GLN A 105 5.896 -8.634 -0.613 1.00 0.00 C ATOM 1721 CG GLN A 105 6.516 -7.831 -1.744 1.00 0.00 C ATOM 1722 CD GLN A 105 7.966 -8.192 -1.997 1.00 0.00 C ATOM 1723 OE1 GLN A 105 8.382 -9.336 -1.800 1.00 0.00 O ATOM 1724 NE2 GLN A 105 8.746 -7.215 -2.422 1.00 0.00 N ATOM 0 H GLN A 105 5.282 -6.361 0.113 1.00 0.00 H new ATOM 0 HA GLN A 105 3.859 -8.383 -1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.495 -8.502 0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.930 -9.694 -0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.942 -7.994 -2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.447 -6.769 -1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.360 -6.283 -2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.734 -7.392 -2.600 1.00 0.00 H new ATOM 1733 N ARG A 106 4.064 -8.674 2.031 1.00 0.00 N ATOM 1734 CA ARG A 106 3.526 -9.373 3.194 1.00 0.00 C ATOM 1735 C ARG A 106 1.999 -9.378 3.175 1.00 0.00 C ATOM 1736 O ARG A 106 1.365 -10.344 3.602 1.00 0.00 O ATOM 1737 CB ARG A 106 4.027 -8.708 4.476 1.00 0.00 C ATOM 1738 CG ARG A 106 5.482 -9.017 4.798 1.00 0.00 C ATOM 1739 CD ARG A 106 6.062 -8.024 5.796 1.00 0.00 C ATOM 1740 NE ARG A 106 5.141 -7.730 6.894 1.00 0.00 N ATOM 1741 CZ ARG A 106 5.507 -7.665 8.175 1.00 0.00 C ATOM 1742 NH1 ARG A 106 6.739 -7.996 8.546 1.00 0.00 N ATOM 1743 NH2 ARG A 106 4.634 -7.288 9.098 1.00 0.00 N ATOM 0 H ARG A 106 4.586 -7.828 2.258 1.00 0.00 H new ATOM 0 HA ARG A 106 3.871 -10.407 3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.905 -7.629 4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.403 -9.031 5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.559 -10.026 5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.070 -8.996 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.991 -8.423 6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.312 -7.098 5.278 1.00 0.00 H new ATOM 0 HE ARG A 106 4.161 -7.565 6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.416 -8.304 7.848 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.007 -7.942 9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.680 -7.047 8.829 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.916 -7.239 10.077 1.00 0.00 H new ATOM 1757 N HIS A 107 1.418 -8.302 2.661 1.00 0.00 N ATOM 1758 CA HIS A 107 -0.033 -8.153 2.629 1.00 0.00 C ATOM 1759 C HIS A 107 -0.647 -9.039 1.558 1.00 0.00 C ATOM 1760 O HIS A 107 -1.687 -9.664 1.773 1.00 0.00 O ATOM 1761 CB HIS A 107 -0.416 -6.687 2.396 1.00 0.00 C ATOM 1762 CG HIS A 107 -0.108 -5.813 3.570 1.00 0.00 C ATOM 1763 ND1 HIS A 107 -0.149 -4.425 3.560 1.00 0.00 N ATOM 1764 CD2 HIS A 107 0.234 -6.175 4.831 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.169 -4.019 4.812 1.00 0.00 C ATOM 1766 NE2 HIS A 107 0.406 -5.041 5.602 1.00 0.00 N ATOM 0 H HIS A 107 1.930 -7.517 2.259 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.427 -8.467 3.595 1.00 0.00 H new ATOM 0 HB2 HIS A 107 0.115 -6.312 1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.481 -6.626 2.173 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.353 -7.191 5.179 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.221 -2.986 5.122 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.665 -5.005 6.588 1.00 0.00 H new ATOM 1773 N VAL A 108 0.009 -9.102 0.409 1.00 0.00 N ATOM 1774 CA VAL A 108 -0.454 -9.940 -0.689 1.00 0.00 C ATOM 1775 C VAL A 108 -0.372 -11.417 -0.299 1.00 0.00 C ATOM 1776 O VAL A 108 -1.227 -12.222 -0.679 1.00 0.00 O ATOM 1777 CB VAL A 108 0.360 -9.700 -1.976 1.00 0.00 C ATOM 1778 CG1 VAL A 108 -0.375 -10.263 -3.181 1.00 0.00 C ATOM 1779 CG2 VAL A 108 0.646 -8.220 -2.164 1.00 0.00 C ATOM 0 H VAL A 108 0.864 -8.583 0.212 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.491 -9.670 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 108 1.314 -10.219 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.213 -10.085 -4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.522 -11.335 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.344 -9.773 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.221 -8.074 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.295 -7.674 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.217 -7.849 -1.313 1.00 0.00 H new ATOM 1789 N GLU A 109 0.667 -11.757 0.464 1.00 0.00 N ATOM 1790 CA GLU A 109 0.858 -13.116 0.966 1.00 0.00 C ATOM 1791 C GLU A 109 -0.321 -13.580 1.813 1.00 0.00 C ATOM 1792 O GLU A 109 -0.709 -14.748 1.757 1.00 0.00 O ATOM 1793 CB GLU A 109 2.146 -13.200 1.785 1.00 0.00 C ATOM 1794 CG GLU A 109 3.402 -13.154 0.935 1.00 0.00 C ATOM 1795 CD GLU A 109 3.493 -14.326 -0.010 1.00 0.00 C ATOM 1796 OE1 GLU A 109 3.584 -15.472 0.476 1.00 0.00 O ATOM 1797 OE2 GLU A 109 3.462 -14.116 -1.239 1.00 0.00 O ATOM 0 H GLU A 109 1.395 -11.102 0.750 1.00 0.00 H new ATOM 0 HA GLU A 109 0.929 -13.776 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.169 -12.377 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 109 2.141 -14.124 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 109 3.418 -12.226 0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.278 -13.144 1.584 1.00 0.00 H new ATOM 1804 N GLU A 110 -0.885 -12.667 2.601 1.00 0.00 N ATOM 1805 CA GLU A 110 -2.052 -12.977 3.420 1.00 0.00 C ATOM 1806 C GLU A 110 -3.226 -13.381 2.535 1.00 0.00 C ATOM 1807 O GLU A 110 -3.964 -14.312 2.856 1.00 0.00 O ATOM 1808 CB GLU A 110 -2.414 -11.775 4.301 1.00 0.00 C ATOM 1809 CG GLU A 110 -3.785 -11.859 4.967 1.00 0.00 C ATOM 1810 CD GLU A 110 -4.005 -13.143 5.748 1.00 0.00 C ATOM 1811 OE1 GLU A 110 -3.109 -13.545 6.515 1.00 0.00 O ATOM 1812 OE2 GLU A 110 -5.094 -13.742 5.614 1.00 0.00 O ATOM 0 H GLU A 110 -0.552 -11.707 2.689 1.00 0.00 H new ATOM 0 HA GLU A 110 -1.815 -13.818 4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.655 -11.669 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -2.376 -10.872 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -3.905 -11.010 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.557 -11.772 4.202 1.00 0.00 H new ATOM 1819 N ILE A 111 -3.377 -12.694 1.410 1.00 0.00 N ATOM 1820 CA ILE A 111 -4.422 -13.021 0.455 1.00 0.00 C ATOM 1821 C ILE A 111 -4.152 -14.393 -0.165 1.00 0.00 C ATOM 1822 O ILE A 111 -4.758 -15.391 0.229 1.00 0.00 O ATOM 1823 CB ILE A 111 -4.528 -11.953 -0.657 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -4.675 -10.560 -0.037 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -5.707 -12.254 -1.574 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -4.670 -9.438 -1.050 1.00 0.00 C ATOM 0 H ILE A 111 -2.788 -11.907 1.139 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.371 -13.043 0.991 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.615 -11.977 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.605 -10.521 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.863 -10.400 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.767 -11.492 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.569 -13.232 -2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.629 -12.253 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -4.778 -8.483 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.729 -9.449 -1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.499 -9.572 -1.745 1.00 0.00 H new ATOM 1838 N GLU A 112 -3.221 -14.445 -1.108 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.846 -15.688 -1.748 1.00 0.00 C ATOM 1840 C GLU A 112 -1.341 -15.717 -2.002 1.00 0.00 C ATOM 1841 O GLU A 112 -0.566 -16.299 -1.236 1.00 0.00 O ATOM 1842 CB GLU A 112 -3.582 -15.838 -3.079 1.00 0.00 C ATOM 1843 CG GLU A 112 -5.093 -15.945 -2.959 1.00 0.00 C ATOM 1844 CD GLU A 112 -5.745 -16.349 -4.262 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -5.964 -15.476 -5.127 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -6.028 -17.555 -4.437 1.00 0.00 O ATOM 0 H GLU A 112 -2.710 -13.629 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.118 -16.511 -1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.341 -14.983 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.208 -16.726 -3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.343 -16.674 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.498 -14.987 -2.634 1.00 0.00 H new ATOM 1853 N LYS A 113 -0.949 -15.067 -3.084 1.00 0.00 N ATOM 1854 CA LYS A 113 0.440 -14.951 -3.486 1.00 0.00 C ATOM 1855 C LYS A 113 0.612 -13.613 -4.179 1.00 0.00 C ATOM 1856 O LYS A 113 -0.366 -13.071 -4.687 1.00 0.00 O ATOM 1857 CB LYS A 113 0.833 -16.086 -4.444 1.00 0.00 C ATOM 1858 CG LYS A 113 0.865 -17.470 -3.807 1.00 0.00 C ATOM 1859 CD LYS A 113 2.279 -17.887 -3.423 1.00 0.00 C ATOM 1860 CE LYS A 113 2.885 -16.983 -2.361 1.00 0.00 C ATOM 1861 NZ LYS A 113 2.185 -17.093 -1.053 1.00 0.00 N ATOM 0 H LYS A 113 -1.597 -14.598 -3.717 1.00 0.00 H new ATOM 0 HA LYS A 113 1.083 -15.020 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 113 0.131 -16.100 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 113 1.817 -15.869 -4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.231 -17.476 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.448 -18.199 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.265 -18.913 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 113 2.912 -17.874 -4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 113 3.937 -17.237 -2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 113 2.847 -15.949 -2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 2.723 -16.579 -0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 1.233 -16.683 -1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 2.109 -18.094 -0.783 1.00 0.00 H new ATOM 1875 N LYS A 114 1.828 -13.077 -4.170 1.00 0.00 N ATOM 1876 CA LYS A 114 2.118 -11.823 -4.865 1.00 0.00 C ATOM 1877 C LYS A 114 1.629 -11.887 -6.309 1.00 0.00 C ATOM 1878 O LYS A 114 0.693 -11.182 -6.690 1.00 0.00 O ATOM 1879 CB LYS A 114 3.622 -11.533 -4.824 1.00 0.00 C ATOM 1880 CG LYS A 114 4.169 -11.380 -3.412 1.00 0.00 C ATOM 1881 CD LYS A 114 5.676 -11.157 -3.405 1.00 0.00 C ATOM 1882 CE LYS A 114 6.430 -12.380 -3.904 1.00 0.00 C ATOM 1883 NZ LYS A 114 7.901 -12.204 -3.800 1.00 0.00 N ATOM 0 H LYS A 114 2.629 -13.489 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 114 1.591 -11.014 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.154 -12.341 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.824 -10.621 -5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.676 -10.541 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.932 -12.272 -2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.919 -10.299 -4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.003 -10.916 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.127 -13.254 -3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.160 -12.574 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.379 -13.059 -4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.194 -11.386 -4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.162 -12.044 -2.806 1.00 0.00 H new ATOM 1897 N ASN A 115 2.276 -12.747 -7.085 1.00 0.00 N ATOM 1898 CA ASN A 115 1.882 -13.055 -8.457 1.00 0.00 C ATOM 1899 C ASN A 115 2.993 -13.874 -9.092 1.00 0.00 C ATOM 1900 O ASN A 115 2.936 -15.116 -9.010 1.00 0.00 O ATOM 1901 CB ASN A 115 1.621 -11.784 -9.287 1.00 0.00 C ATOM 1902 CG ASN A 115 0.917 -12.053 -10.616 1.00 0.00 C ATOM 1903 OD1 ASN A 115 1.190 -13.191 -11.240 1.00 0.00 O flip ATOM 1904 ND2 ASN A 115 0.132 -11.226 -11.089 1.00 0.00 N flip ATOM 1905 OXT ASN A 115 3.930 -13.272 -9.644 1.00 0.00 O ATOM 0 H ASN A 115 3.102 -13.259 -6.776 1.00 0.00 H new ATOM 0 HA ASN A 115 0.947 -13.614 -8.438 1.00 0.00 H new ATOM 0 HB2 ASN A 115 1.016 -11.094 -8.699 1.00 0.00 H new ATOM 0 HB3 ASN A 115 2.571 -11.287 -9.483 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -0.059 -10.359 -10.587 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -0.326 -11.410 -11.982 1.00 0.00 H new TER 1912 ASN A 115 HETATM 1913 ZN ZN A 500 3.670 -2.375 5.782 1.00 0.00 ZN HETATM 1914 ZN ZN A 501 0.610 0.528 1.140 1.00 0.00 ZN HETATM 1915 ZN ZN A 502 -0.496 -3.190 1.743 1.00 0.00 ZN