USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1145 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 LYS NZ :NH3+ -176:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 13 GLN : amide:sc= 2.16 K(o=3.4,f=-7.3!) USER MOD Single : A 4 SER OG : rot 51:sc= 0.206 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00814 USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 1.12 (180deg=1.1) USER MOD Single : A 25 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.23) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 34 CYS SG : rot 34:sc= 0.288 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.71) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 60 SER OG : rot 80:sc= 0.00242 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0652 USER MOD Single : A 68 MET CE :methyl 147:sc= -0.0351 (180deg=-0.191) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 179:sc= -0.338 (180deg=-0.341) USER MOD Single : A 78 SER OG : rot -28:sc= 0.00959 USER MOD Single : A 79 CYS SG : rot -86:sc= 0.0877 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0536 USER MOD Single : A 88 MET CE :methyl 167:sc= -0.195 (180deg=-0.55) USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= 0.821 (180deg=-1.18!) USER MOD Single : A 91 HIS : no HE2:sc= -1.03 K(o=-1,f=-2.7!) USER MOD Single : A 104 SER OG : rot 180:sc= 0.00028 USER MOD Single : A 106 HIS : no HD1:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.01) USER MOD Single : A 118 LYS NZ :NH3+ -156:sc= -0.233 (180deg=-0.977) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 HIS :FLIP no HD1:sc= -0.562 F(o=-1.8,f=-0.56) USER MOD Single : A 132 HIS : no HE2:sc= -0.0701 K(o=-0.07,f=-1.6) USER MOD Single : A 134 HIS : no HE2:sc= -0.436 X(o=-0.44,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 42.238 21.527 27.257 1.00 0.00 N ATOM 2 CA PRO A 1 42.215 22.154 25.924 1.00 0.00 C ATOM 3 C PRO A 1 41.836 21.131 24.850 1.00 0.00 C ATOM 4 O PRO A 1 42.390 20.035 24.831 1.00 0.00 O ATOM 5 CB PRO A 1 43.629 22.709 25.696 1.00 0.00 C ATOM 6 CG PRO A 1 44.524 21.790 26.540 1.00 0.00 C ATOM 7 CD PRO A 1 43.629 21.429 27.728 1.00 0.00 C ATOM 0 H2 PRO A 1 41.816 20.599 27.215 1.00 0.00 H new ATOM 0 H3 PRO A 1 41.684 22.078 27.913 1.00 0.00 H new ATOM 0 HA PRO A 1 41.470 22.947 25.865 1.00 0.00 H new ATOM 0 HB2 PRO A 1 43.905 22.679 24.642 1.00 0.00 H new ATOM 0 HB3 PRO A 1 43.707 23.748 26.016 1.00 0.00 H new ATOM 0 HG2 PRO A 1 44.831 20.905 25.983 1.00 0.00 H new ATOM 0 HG3 PRO A 1 45.434 22.297 26.860 1.00 0.00 H new ATOM 0 HD2 PRO A 1 43.847 20.422 28.084 1.00 0.00 H new ATOM 0 HD3 PRO A 1 43.803 22.107 28.563 1.00 0.00 H new ATOM 15 N ALA A 2 40.877 21.469 23.986 1.00 0.00 N ATOM 16 CA ALA A 2 40.389 20.640 22.892 1.00 0.00 C ATOM 17 C ALA A 2 39.901 21.581 21.787 1.00 0.00 C ATOM 18 O ALA A 2 39.805 22.788 22.015 1.00 0.00 O ATOM 19 CB ALA A 2 39.249 19.740 23.388 1.00 0.00 C ATOM 0 H ALA A 2 40.401 22.370 24.036 1.00 0.00 H new ATOM 0 HA ALA A 2 41.177 19.992 22.509 1.00 0.00 H new ATOM 0 HB1 ALA A 2 38.889 19.123 22.565 1.00 0.00 H new ATOM 0 HB2 ALA A 2 39.614 19.099 24.190 1.00 0.00 H new ATOM 0 HB3 ALA A 2 38.433 20.359 23.762 1.00 0.00 H new ATOM 25 N ALA A 3 39.623 21.042 20.602 1.00 0.00 N ATOM 26 CA ALA A 3 39.136 21.766 19.437 1.00 0.00 C ATOM 27 C ALA A 3 38.367 20.772 18.568 1.00 0.00 C ATOM 28 O ALA A 3 38.554 19.563 18.709 1.00 0.00 O ATOM 29 CB ALA A 3 40.318 22.357 18.655 1.00 0.00 C ATOM 0 H ALA A 3 39.737 20.044 20.423 1.00 0.00 H new ATOM 0 HA ALA A 3 38.488 22.589 19.737 1.00 0.00 H new ATOM 0 HB1 ALA A 3 39.945 22.897 17.785 1.00 0.00 H new ATOM 0 HB2 ALA A 3 40.873 23.042 19.297 1.00 0.00 H new ATOM 0 HB3 ALA A 3 40.976 21.552 18.328 1.00 0.00 H new ATOM 35 N SER A 4 37.560 21.274 17.636 1.00 0.00 N ATOM 36 CA SER A 4 36.757 20.465 16.731 1.00 0.00 C ATOM 37 C SER A 4 36.805 21.099 15.333 1.00 0.00 C ATOM 38 O SER A 4 35.898 21.862 14.992 1.00 0.00 O ATOM 39 CB SER A 4 35.336 20.341 17.303 1.00 0.00 C ATOM 40 OG SER A 4 34.809 21.615 17.631 1.00 0.00 O ATOM 0 H SER A 4 37.446 22.277 17.488 1.00 0.00 H new ATOM 0 HA SER A 4 37.147 19.452 16.635 1.00 0.00 H new ATOM 0 HB2 SER A 4 34.688 19.852 16.575 1.00 0.00 H new ATOM 0 HB3 SER A 4 35.351 19.710 18.192 1.00 0.00 H new ATOM 0 HG SER A 4 34.912 22.219 16.866 1.00 0.00 H new ATOM 46 N PRO A 5 37.879 20.878 14.554 1.00 0.00 N ATOM 47 CA PRO A 5 37.992 21.436 13.213 1.00 0.00 C ATOM 48 C PRO A 5 37.037 20.709 12.256 1.00 0.00 C ATOM 49 O PRO A 5 36.532 19.626 12.562 1.00 0.00 O ATOM 50 CB PRO A 5 39.458 21.226 12.825 1.00 0.00 C ATOM 51 CG PRO A 5 39.824 19.931 13.552 1.00 0.00 C ATOM 52 CD PRO A 5 39.013 20.012 14.847 1.00 0.00 C ATOM 0 HA PRO A 5 37.718 22.490 13.167 1.00 0.00 H new ATOM 0 HB2 PRO A 5 39.580 21.132 11.746 1.00 0.00 H new ATOM 0 HB3 PRO A 5 40.084 22.059 13.145 1.00 0.00 H new ATOM 0 HG2 PRO A 5 39.558 19.052 12.965 1.00 0.00 H new ATOM 0 HG3 PRO A 5 40.894 19.870 13.751 1.00 0.00 H new ATOM 0 HD2 PRO A 5 38.679 19.023 15.161 1.00 0.00 H new ATOM 0 HD3 PRO A 5 39.615 20.418 15.660 1.00 0.00 H new ATOM 60 N SER A 6 36.813 21.284 11.078 1.00 0.00 N ATOM 61 CA SER A 6 35.946 20.732 10.050 1.00 0.00 C ATOM 62 C SER A 6 36.435 21.212 8.678 1.00 0.00 C ATOM 63 O SER A 6 37.367 22.015 8.587 1.00 0.00 O ATOM 64 CB SER A 6 34.493 21.132 10.357 1.00 0.00 C ATOM 65 OG SER A 6 34.366 22.526 10.577 1.00 0.00 O ATOM 0 H SER A 6 37.242 22.169 10.808 1.00 0.00 H new ATOM 0 HA SER A 6 35.980 19.643 10.036 1.00 0.00 H new ATOM 0 HB2 SER A 6 33.851 20.835 9.527 1.00 0.00 H new ATOM 0 HB3 SER A 6 34.146 20.592 11.238 1.00 0.00 H new ATOM 0 HG SER A 6 33.430 22.743 10.767 1.00 0.00 H new ATOM 71 N ALA A 7 35.860 20.666 7.605 1.00 0.00 N ATOM 72 CA ALA A 7 36.168 20.988 6.219 1.00 0.00 C ATOM 73 C ALA A 7 34.956 20.594 5.372 1.00 0.00 C ATOM 74 O ALA A 7 33.980 20.056 5.898 1.00 0.00 O ATOM 75 CB ALA A 7 37.422 20.228 5.764 1.00 0.00 C ATOM 0 H ALA A 7 35.134 19.955 7.687 1.00 0.00 H new ATOM 0 HA ALA A 7 36.372 22.053 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 7 37.642 20.477 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 7 38.267 20.511 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 7 37.249 19.155 5.851 1.00 0.00 H new ATOM 81 N LEU A 8 35.008 20.853 4.064 1.00 0.00 N ATOM 82 CA LEU A 8 33.941 20.531 3.121 1.00 0.00 C ATOM 83 C LEU A 8 34.553 19.786 1.940 1.00 0.00 C ATOM 84 O LEU A 8 35.715 19.996 1.595 1.00 0.00 O ATOM 85 CB LEU A 8 33.220 21.810 2.654 1.00 0.00 C ATOM 86 CG LEU A 8 32.447 22.550 3.765 1.00 0.00 C ATOM 87 CD1 LEU A 8 31.934 23.892 3.229 1.00 0.00 C ATOM 88 CD2 LEU A 8 31.253 21.737 4.285 1.00 0.00 C ATOM 0 H LEU A 8 35.811 21.302 3.624 1.00 0.00 H new ATOM 0 HA LEU A 8 33.196 19.900 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.956 22.491 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 8 32.524 21.549 1.857 1.00 0.00 H new ATOM 0 HG LEU A 8 33.139 22.702 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.388 24.413 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.778 24.502 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.270 23.716 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.741 22.300 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.561 21.542 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.607 20.791 4.694 1.00 0.00 H new ATOM 100 N LYS A 9 33.762 18.929 1.293 1.00 0.00 N ATOM 101 CA LYS A 9 34.165 18.122 0.150 1.00 0.00 C ATOM 102 C LYS A 9 32.979 18.020 -0.816 1.00 0.00 C ATOM 103 O LYS A 9 32.628 16.932 -1.259 1.00 0.00 O ATOM 104 CB LYS A 9 34.666 16.757 0.684 1.00 0.00 C ATOM 105 CG LYS A 9 35.542 15.997 -0.322 1.00 0.00 C ATOM 106 CD LYS A 9 36.935 16.637 -0.461 1.00 0.00 C ATOM 107 CE LYS A 9 37.430 16.528 -1.903 1.00 0.00 C ATOM 108 NZ LYS A 9 37.826 15.149 -2.274 1.00 0.00 N ATOM 0 H LYS A 9 32.790 18.775 1.563 1.00 0.00 H new ATOM 0 HA LYS A 9 34.985 18.566 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 9 35.234 16.919 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 9 33.807 16.140 0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 9 35.648 14.960 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 9 35.050 15.982 -1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 9 36.892 17.685 -0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 9 37.638 16.143 0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 9 36.645 16.869 -2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 9 38.281 17.195 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 38.216 15.147 -3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 38.547 14.804 -1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 36.994 14.527 -2.236 1.00 0.00 H new ATOM 122 N GLY A 10 32.319 19.149 -1.085 1.00 0.00 N ATOM 123 CA GLY A 10 31.169 19.237 -1.967 1.00 0.00 C ATOM 124 C GLY A 10 31.629 19.121 -3.408 1.00 0.00 C ATOM 125 O GLY A 10 31.875 20.132 -4.058 1.00 0.00 O ATOM 0 H GLY A 10 32.583 20.048 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.458 18.444 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.651 20.184 -1.814 1.00 0.00 H new ATOM 129 N VAL A 11 31.820 17.896 -3.885 1.00 0.00 N ATOM 130 CA VAL A 11 32.242 17.605 -5.242 1.00 0.00 C ATOM 131 C VAL A 11 31.630 16.246 -5.603 1.00 0.00 C ATOM 132 O VAL A 11 31.354 15.439 -4.713 1.00 0.00 O ATOM 133 CB VAL A 11 33.786 17.692 -5.347 1.00 0.00 C ATOM 134 CG1 VAL A 11 34.530 16.676 -4.464 1.00 0.00 C ATOM 135 CG2 VAL A 11 34.284 17.567 -6.794 1.00 0.00 C ATOM 0 H VAL A 11 31.681 17.058 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 11 31.888 18.332 -5.973 1.00 0.00 H new ATOM 0 HB VAL A 11 34.021 18.688 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 11 35.605 16.800 -4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 11 34.269 16.842 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 11 34.244 15.665 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 11 35.372 17.634 -6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 11 33.973 16.606 -7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 11 33.861 18.372 -7.395 1.00 0.00 H new ATOM 145 N SER A 12 31.504 15.939 -6.894 1.00 0.00 N ATOM 146 CA SER A 12 30.933 14.708 -7.444 1.00 0.00 C ATOM 147 C SER A 12 31.653 13.397 -7.079 1.00 0.00 C ATOM 148 O SER A 12 31.393 12.364 -7.689 1.00 0.00 O ATOM 149 CB SER A 12 30.833 14.869 -8.968 1.00 0.00 C ATOM 150 OG SER A 12 30.276 16.133 -9.299 1.00 0.00 O ATOM 0 H SER A 12 31.815 16.578 -7.626 1.00 0.00 H new ATOM 0 HA SER A 12 29.956 14.592 -6.976 1.00 0.00 H new ATOM 0 HB2 SER A 12 31.822 14.772 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 12 30.216 14.073 -9.384 1.00 0.00 H new ATOM 0 HG SER A 12 30.220 16.221 -10.273 1.00 0.00 H new ATOM 156 N GLN A 13 32.592 13.419 -6.139 1.00 0.00 N ATOM 157 CA GLN A 13 33.337 12.254 -5.685 1.00 0.00 C ATOM 158 C GLN A 13 32.344 11.280 -5.048 1.00 0.00 C ATOM 159 O GLN A 13 32.145 10.180 -5.554 1.00 0.00 O ATOM 160 CB GLN A 13 34.423 12.687 -4.685 1.00 0.00 C ATOM 161 CG GLN A 13 35.288 11.514 -4.191 1.00 0.00 C ATOM 162 CD GLN A 13 35.865 11.787 -2.804 1.00 0.00 C ATOM 163 OE1 GLN A 13 36.414 12.861 -2.548 1.00 0.00 O ATOM 164 NE2 GLN A 13 35.731 10.851 -1.883 1.00 0.00 N ATOM 0 H GLN A 13 32.863 14.277 -5.658 1.00 0.00 H new ATOM 0 HA GLN A 13 33.839 11.762 -6.518 1.00 0.00 H new ATOM 0 HB2 GLN A 13 35.065 13.432 -5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 13 33.950 13.168 -3.829 1.00 0.00 H new ATOM 0 HG2 GLN A 13 34.688 10.605 -4.164 1.00 0.00 H new ATOM 0 HG3 GLN A 13 36.101 11.338 -4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 13 35.274 9.969 -2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 13 36.085 11.010 -0.940 1.00 0.00 H new ATOM 173 N ALA A 14 31.679 11.704 -3.966 1.00 0.00 N ATOM 174 CA ALA A 14 30.715 10.874 -3.248 1.00 0.00 C ATOM 175 C ALA A 14 29.517 10.476 -4.121 1.00 0.00 C ATOM 176 O ALA A 14 28.781 9.552 -3.781 1.00 0.00 O ATOM 177 CB ALA A 14 30.254 11.606 -1.986 1.00 0.00 C ATOM 0 H ALA A 14 31.798 12.635 -3.566 1.00 0.00 H new ATOM 0 HA ALA A 14 31.213 9.945 -2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 14 29.535 10.988 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 14 31.113 11.802 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 14 29.785 12.550 -2.264 1.00 0.00 H new ATOM 183 N LEU A 15 29.292 11.192 -5.223 1.00 0.00 N ATOM 184 CA LEU A 15 28.224 10.953 -6.181 1.00 0.00 C ATOM 185 C LEU A 15 28.639 9.797 -7.098 1.00 0.00 C ATOM 186 O LEU A 15 27.875 8.853 -7.304 1.00 0.00 O ATOM 187 CB LEU A 15 28.001 12.259 -6.955 1.00 0.00 C ATOM 188 CG LEU A 15 26.948 12.186 -8.067 1.00 0.00 C ATOM 189 CD1 LEU A 15 25.549 11.942 -7.502 1.00 0.00 C ATOM 190 CD2 LEU A 15 26.990 13.511 -8.832 1.00 0.00 C ATOM 0 H LEU A 15 29.877 11.987 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 15 27.289 10.669 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 15 27.708 13.036 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 15 28.949 12.569 -7.394 1.00 0.00 H new ATOM 0 HG LEU A 15 27.171 11.349 -8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.829 11.896 -8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 15 25.537 10.999 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.282 12.756 -6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.251 13.492 -9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 15 26.766 14.332 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 15 27.983 13.654 -9.258 1.00 0.00 H new ATOM 202 N LEU A 16 29.853 9.859 -7.654 1.00 0.00 N ATOM 203 CA LEU A 16 30.389 8.826 -8.535 1.00 0.00 C ATOM 204 C LEU A 16 30.672 7.557 -7.735 1.00 0.00 C ATOM 205 O LEU A 16 30.466 6.460 -8.244 1.00 0.00 O ATOM 206 CB LEU A 16 31.675 9.313 -9.223 1.00 0.00 C ATOM 207 CG LEU A 16 31.430 10.371 -10.317 1.00 0.00 C ATOM 208 CD1 LEU A 16 32.763 11.008 -10.723 1.00 0.00 C ATOM 209 CD2 LEU A 16 30.755 9.777 -11.561 1.00 0.00 C ATOM 0 H LEU A 16 30.495 10.637 -7.501 1.00 0.00 H new ATOM 0 HA LEU A 16 29.649 8.607 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 16 32.344 9.730 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 16 32.186 8.458 -9.665 1.00 0.00 H new ATOM 0 HG LEU A 16 30.758 11.121 -9.900 1.00 0.00 H new ATOM 0 HD11 LEU A 16 32.588 11.756 -11.497 1.00 0.00 H new ATOM 0 HD12 LEU A 16 33.218 11.484 -9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 16 33.432 10.238 -11.107 1.00 0.00 H new ATOM 0 HD21 LEU A 16 30.604 10.562 -12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 16 31.390 8.997 -11.982 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.791 9.350 -11.283 1.00 0.00 H new ATOM 221 N GLU A 17 31.063 7.668 -6.462 1.00 0.00 N ATOM 222 CA GLU A 17 31.346 6.509 -5.618 1.00 0.00 C ATOM 223 C GLU A 17 30.117 5.603 -5.441 1.00 0.00 C ATOM 224 O GLU A 17 30.261 4.442 -5.052 1.00 0.00 O ATOM 225 CB GLU A 17 31.935 6.947 -4.272 1.00 0.00 C ATOM 226 CG GLU A 17 33.434 7.257 -4.406 1.00 0.00 C ATOM 227 CD GLU A 17 34.097 7.402 -3.039 1.00 0.00 C ATOM 228 OE1 GLU A 17 34.333 6.333 -2.417 1.00 0.00 O ATOM 229 OE2 GLU A 17 34.379 8.545 -2.626 1.00 0.00 O ATOM 0 H GLU A 17 31.191 8.563 -5.990 1.00 0.00 H new ATOM 0 HA GLU A 17 32.096 5.906 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 17 31.408 7.829 -3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 17 31.787 6.161 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 17 33.923 6.460 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 17 33.567 8.176 -4.976 1.00 0.00 H new ATOM 236 N ARG A 18 28.906 6.088 -5.744 1.00 0.00 N ATOM 237 CA ARG A 18 27.683 5.286 -5.645 1.00 0.00 C ATOM 238 C ARG A 18 27.731 4.163 -6.686 1.00 0.00 C ATOM 239 O ARG A 18 27.018 3.175 -6.546 1.00 0.00 O ATOM 240 CB ARG A 18 26.436 6.154 -5.860 1.00 0.00 C ATOM 241 CG ARG A 18 26.348 7.344 -4.893 1.00 0.00 C ATOM 242 CD ARG A 18 25.204 8.285 -5.284 1.00 0.00 C ATOM 243 NE ARG A 18 23.896 7.777 -4.857 1.00 0.00 N ATOM 244 CZ ARG A 18 23.365 7.861 -3.632 1.00 0.00 C ATOM 245 NH1 ARG A 18 24.043 8.380 -2.612 1.00 0.00 N ATOM 246 NH2 ARG A 18 22.135 7.406 -3.442 1.00 0.00 N ATOM 0 H ARG A 18 28.748 7.044 -6.063 1.00 0.00 H new ATOM 0 HA ARG A 18 27.623 4.858 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 18 26.434 6.527 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 18 25.547 5.535 -5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 18 26.194 6.981 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 18 27.291 7.891 -4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 18 25.374 9.265 -4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 18 25.203 8.422 -6.365 1.00 0.00 H new ATOM 0 HE ARG A 18 23.333 7.311 -5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 18 24.992 8.726 -2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 18 23.614 8.432 -1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.614 7.003 -4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.709 7.459 -2.517 1.00 0.00 H new ATOM 260 N ILE A 19 28.527 4.312 -7.750 1.00 0.00 N ATOM 261 CA ILE A 19 28.713 3.324 -8.803 1.00 0.00 C ATOM 262 C ILE A 19 29.390 2.138 -8.115 1.00 0.00 C ATOM 263 O ILE A 19 28.806 1.065 -8.047 1.00 0.00 O ATOM 264 CB ILE A 19 29.553 3.910 -9.971 1.00 0.00 C ATOM 265 CG1 ILE A 19 28.871 5.139 -10.623 1.00 0.00 C ATOM 266 CG2 ILE A 19 29.806 2.832 -11.039 1.00 0.00 C ATOM 267 CD1 ILE A 19 29.799 5.969 -11.518 1.00 0.00 C ATOM 0 H ILE A 19 29.077 5.157 -7.901 1.00 0.00 H new ATOM 0 HA ILE A 19 27.775 3.017 -9.265 1.00 0.00 H new ATOM 0 HB ILE A 19 30.502 4.241 -9.549 1.00 0.00 H new ATOM 0 HG12 ILE A 19 28.022 4.798 -11.216 1.00 0.00 H new ATOM 0 HG13 ILE A 19 28.474 5.780 -9.836 1.00 0.00 H new ATOM 0 HG21 ILE A 19 30.396 3.256 -11.852 1.00 0.00 H new ATOM 0 HG22 ILE A 19 30.349 1.999 -10.593 1.00 0.00 H new ATOM 0 HG23 ILE A 19 28.853 2.476 -11.430 1.00 0.00 H new ATOM 0 HD11 ILE A 19 29.245 6.810 -11.936 1.00 0.00 H new ATOM 0 HD12 ILE A 19 30.635 6.343 -10.927 1.00 0.00 H new ATOM 0 HD13 ILE A 19 30.177 5.345 -12.328 1.00 0.00 H new ATOM 279 N ARG A 20 30.570 2.362 -7.516 1.00 0.00 N ATOM 280 CA ARG A 20 31.378 1.363 -6.814 1.00 0.00 C ATOM 281 C ARG A 20 30.572 0.542 -5.800 1.00 0.00 C ATOM 282 O ARG A 20 30.910 -0.620 -5.569 1.00 0.00 O ATOM 283 CB ARG A 20 32.598 2.088 -6.206 1.00 0.00 C ATOM 284 CG ARG A 20 33.609 1.186 -5.476 1.00 0.00 C ATOM 285 CD ARG A 20 33.573 1.382 -3.950 1.00 0.00 C ATOM 286 NE ARG A 20 34.184 2.657 -3.505 1.00 0.00 N ATOM 287 CZ ARG A 20 35.491 2.951 -3.432 1.00 0.00 C ATOM 288 NH1 ARG A 20 36.407 2.055 -3.800 1.00 0.00 N ATOM 289 NH2 ARG A 20 35.892 4.146 -3.006 1.00 0.00 N ATOM 0 H ARG A 20 31.002 3.286 -7.510 1.00 0.00 H new ATOM 0 HA ARG A 20 31.729 0.609 -7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 20 33.119 2.617 -7.004 1.00 0.00 H new ATOM 0 HB3 ARG A 20 32.239 2.842 -5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 20 33.397 0.143 -5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 20 34.613 1.398 -5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 20 32.538 1.346 -3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 20 34.094 0.552 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 20 33.538 3.394 -3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 20 36.116 1.138 -4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 20 37.399 2.286 -3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 20 35.204 4.847 -2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 20 36.888 4.361 -2.954 1.00 0.00 H new ATOM 303 N ALA A 21 29.512 1.098 -5.202 1.00 0.00 N ATOM 304 CA ALA A 21 28.686 0.368 -4.244 1.00 0.00 C ATOM 305 C ALA A 21 28.092 -0.905 -4.872 1.00 0.00 C ATOM 306 O ALA A 21 27.913 -1.899 -4.169 1.00 0.00 O ATOM 307 CB ALA A 21 27.571 1.270 -3.705 1.00 0.00 C ATOM 0 H ALA A 21 29.208 2.057 -5.369 1.00 0.00 H new ATOM 0 HA ALA A 21 29.324 0.064 -3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 21 26.964 0.712 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 21 28.011 2.135 -3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 21 26.944 1.606 -4.531 1.00 0.00 H new ATOM 313 N LYS A 22 27.821 -0.898 -6.186 1.00 0.00 N ATOM 314 CA LYS A 22 27.259 -2.035 -6.915 1.00 0.00 C ATOM 315 C LYS A 22 28.196 -3.238 -6.929 1.00 0.00 C ATOM 316 O LYS A 22 27.748 -4.341 -7.213 1.00 0.00 O ATOM 317 CB LYS A 22 26.847 -1.635 -8.338 1.00 0.00 C ATOM 318 CG LYS A 22 25.409 -1.093 -8.394 1.00 0.00 C ATOM 319 CD LYS A 22 25.202 0.341 -7.887 1.00 0.00 C ATOM 320 CE LYS A 22 25.484 1.333 -9.013 1.00 0.00 C ATOM 321 NZ LYS A 22 25.136 2.707 -8.611 1.00 0.00 N ATOM 0 H LYS A 22 27.991 -0.085 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 22 26.362 -2.341 -6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 22 27.534 -0.877 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.934 -2.499 -8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 22 25.064 -1.144 -9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.770 -1.757 -7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 22 24.181 0.466 -7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.863 0.537 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 22 26.538 1.287 -9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 22 24.913 1.054 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 25.257 3.347 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 24.146 2.735 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 25.758 3.010 -7.835 1.00 0.00 H new ATOM 335 N GLU A 23 29.483 -3.065 -6.633 1.00 0.00 N ATOM 336 CA GLU A 23 30.416 -4.186 -6.569 1.00 0.00 C ATOM 337 C GLU A 23 30.472 -4.631 -5.099 1.00 0.00 C ATOM 338 O GLU A 23 30.387 -5.822 -4.781 1.00 0.00 O ATOM 339 CB GLU A 23 31.810 -3.818 -7.099 1.00 0.00 C ATOM 340 CG GLU A 23 31.815 -3.223 -8.517 1.00 0.00 C ATOM 341 CD GLU A 23 30.899 -3.950 -9.509 1.00 0.00 C ATOM 342 OE1 GLU A 23 30.989 -5.195 -9.674 1.00 0.00 O ATOM 343 OE2 GLU A 23 30.069 -3.261 -10.140 1.00 0.00 O ATOM 0 H GLU A 23 29.903 -2.157 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 23 30.072 -4.997 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 23 32.267 -3.102 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 23 32.436 -4.711 -7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 23 31.513 -2.177 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 23 32.835 -3.240 -8.902 1.00 0.00 H new ATOM 350 N VAL A 24 30.529 -3.653 -4.189 1.00 0.00 N ATOM 351 CA VAL A 24 30.596 -3.827 -2.742 1.00 0.00 C ATOM 352 C VAL A 24 29.378 -4.584 -2.183 1.00 0.00 C ATOM 353 O VAL A 24 29.474 -5.148 -1.092 1.00 0.00 O ATOM 354 CB VAL A 24 30.835 -2.443 -2.090 1.00 0.00 C ATOM 355 CG1 VAL A 24 30.898 -2.483 -0.558 1.00 0.00 C ATOM 356 CG2 VAL A 24 32.159 -1.817 -2.571 1.00 0.00 C ATOM 0 H VAL A 24 30.529 -2.670 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 24 31.438 -4.470 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 24 29.974 -1.850 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 24 31.068 -1.477 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 24 29.957 -2.867 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.715 -3.133 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 24 32.297 -0.846 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 24 32.989 -2.472 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 24 32.129 -1.689 -3.653 1.00 0.00 H new ATOM 366 N GLN A 25 28.263 -4.675 -2.918 1.00 0.00 N ATOM 367 CA GLN A 25 27.051 -5.384 -2.503 1.00 0.00 C ATOM 368 C GLN A 25 27.323 -6.859 -2.170 1.00 0.00 C ATOM 369 O GLN A 25 26.652 -7.442 -1.321 1.00 0.00 O ATOM 370 CB GLN A 25 25.981 -5.275 -3.606 1.00 0.00 C ATOM 371 CG GLN A 25 26.379 -5.955 -4.927 1.00 0.00 C ATOM 372 CD GLN A 25 25.319 -5.766 -6.016 1.00 0.00 C ATOM 373 OE1 GLN A 25 24.831 -4.661 -6.247 1.00 0.00 O ATOM 374 NE2 GLN A 25 24.921 -6.829 -6.697 1.00 0.00 N ATOM 0 H GLN A 25 28.179 -4.247 -3.840 1.00 0.00 H new ATOM 0 HA GLN A 25 26.689 -4.911 -1.590 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.054 -5.719 -3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 25 25.776 -4.222 -3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 25 27.329 -5.547 -5.272 1.00 0.00 H new ATOM 0 HG3 GLN A 25 26.534 -7.020 -4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 25 25.330 -7.743 -6.501 1.00 0.00 H new ATOM 0 HE22 GLN A 25 24.206 -6.734 -7.418 1.00 0.00 H new ATOM 383 N LYS A 26 28.303 -7.481 -2.827 1.00 0.00 N ATOM 384 CA LYS A 26 28.638 -8.881 -2.587 1.00 0.00 C ATOM 385 C LYS A 26 29.694 -9.020 -1.498 1.00 0.00 C ATOM 386 O LYS A 26 29.782 -10.055 -0.846 1.00 0.00 O ATOM 387 CB LYS A 26 29.126 -9.472 -3.910 1.00 0.00 C ATOM 388 CG LYS A 26 29.261 -10.997 -3.835 1.00 0.00 C ATOM 389 CD LYS A 26 29.395 -11.586 -5.235 1.00 0.00 C ATOM 390 CE LYS A 26 30.759 -11.300 -5.862 1.00 0.00 C ATOM 391 NZ LYS A 26 30.792 -11.729 -7.270 1.00 0.00 N ATOM 0 H LYS A 26 28.882 -7.030 -3.535 1.00 0.00 H new ATOM 0 HA LYS A 26 27.760 -9.421 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 26 28.430 -9.207 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 26 30.089 -9.034 -4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 26 30.132 -11.263 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 26 28.390 -11.422 -3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 26 29.239 -12.664 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 26 28.612 -11.178 -5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 26 30.977 -10.234 -5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 26 31.537 -11.819 -5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 31.728 -11.524 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 30.607 -12.751 -7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 30.064 -11.215 -7.807 1.00 0.00 H new ATOM 405 N GLN A 27 30.504 -7.980 -1.329 1.00 0.00 N ATOM 406 CA GLN A 27 31.589 -7.915 -0.367 1.00 0.00 C ATOM 407 C GLN A 27 31.139 -7.556 1.054 1.00 0.00 C ATOM 408 O GLN A 27 31.237 -8.383 1.955 1.00 0.00 O ATOM 409 CB GLN A 27 32.634 -6.888 -0.842 1.00 0.00 C ATOM 410 CG GLN A 27 33.168 -7.116 -2.262 1.00 0.00 C ATOM 411 CD GLN A 27 34.223 -6.062 -2.582 1.00 0.00 C ATOM 412 OE1 GLN A 27 33.912 -4.951 -2.994 1.00 0.00 O ATOM 413 NE2 GLN A 27 35.486 -6.364 -2.338 1.00 0.00 N ATOM 0 H GLN A 27 30.416 -7.128 -1.882 1.00 0.00 H new ATOM 0 HA GLN A 27 32.014 -8.918 -0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 27 32.192 -5.893 -0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 27 33.474 -6.899 -0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 27 33.598 -8.114 -2.345 1.00 0.00 H new ATOM 0 HG3 GLN A 27 32.352 -7.060 -2.983 1.00 0.00 H new ATOM 0 HE21 GLN A 27 35.731 -7.293 -1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 27 36.216 -5.668 -2.492 1.00 0.00 H new ATOM 422 N LEU A 28 30.673 -6.319 1.267 1.00 0.00 N ATOM 423 CA LEU A 28 30.267 -5.827 2.584 1.00 0.00 C ATOM 424 C LEU A 28 28.784 -5.953 2.903 1.00 0.00 C ATOM 425 O LEU A 28 28.452 -6.544 3.928 1.00 0.00 O ATOM 426 CB LEU A 28 30.711 -4.365 2.784 1.00 0.00 C ATOM 427 CG LEU A 28 32.235 -4.131 2.759 1.00 0.00 C ATOM 428 CD1 LEU A 28 32.521 -2.633 2.921 1.00 0.00 C ATOM 429 CD2 LEU A 28 32.974 -4.902 3.860 1.00 0.00 C ATOM 0 H LEU A 28 30.567 -5.629 0.523 1.00 0.00 H new ATOM 0 HA LEU A 28 30.777 -6.489 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 28 30.253 -3.754 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 28 30.321 -4.011 3.738 1.00 0.00 H new ATOM 0 HG LEU A 28 32.600 -4.499 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 28 33.598 -2.464 2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 28 32.054 -2.083 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 28 32.114 -2.286 3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 28 34.043 -4.698 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 28 32.605 -4.586 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 28 32.800 -5.971 3.735 1.00 0.00 H new ATOM 441 N ALA A 29 27.906 -5.384 2.068 1.00 0.00 N ATOM 442 CA ALA A 29 26.453 -5.389 2.264 1.00 0.00 C ATOM 443 C ALA A 29 26.054 -4.898 3.665 1.00 0.00 C ATOM 444 O ALA A 29 25.334 -5.582 4.394 1.00 0.00 O ATOM 445 CB ALA A 29 25.864 -6.766 1.964 1.00 0.00 C ATOM 0 H ALA A 29 28.193 -4.897 1.219 1.00 0.00 H new ATOM 0 HA ALA A 29 26.030 -4.680 1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.785 -6.742 2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 29 26.077 -7.036 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 29 26.309 -7.505 2.631 1.00 0.00 H new ATOM 451 N ARG A 30 26.574 -3.744 4.091 1.00 0.00 N ATOM 452 CA ARG A 30 26.276 -3.153 5.393 1.00 0.00 C ATOM 453 C ARG A 30 25.816 -1.736 5.107 1.00 0.00 C ATOM 454 O ARG A 30 26.655 -0.871 4.859 1.00 0.00 O ATOM 455 CB ARG A 30 27.472 -3.231 6.366 1.00 0.00 C ATOM 456 CG ARG A 30 28.075 -4.645 6.452 1.00 0.00 C ATOM 457 CD ARG A 30 28.621 -5.029 7.827 1.00 0.00 C ATOM 458 NE ARG A 30 29.736 -4.194 8.294 1.00 0.00 N ATOM 459 CZ ARG A 30 30.499 -4.477 9.361 1.00 0.00 C ATOM 460 NH1 ARG A 30 30.319 -5.588 10.073 1.00 0.00 N ATOM 461 NH2 ARG A 30 31.444 -3.622 9.729 1.00 0.00 N ATOM 0 H ARG A 30 27.222 -3.189 3.532 1.00 0.00 H new ATOM 0 HA ARG A 30 25.495 -3.707 5.913 1.00 0.00 H new ATOM 0 HB2 ARG A 30 28.243 -2.530 6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.149 -2.917 7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 30 27.311 -5.368 6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 30 28.880 -4.726 5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 30 27.811 -4.972 8.554 1.00 0.00 H new ATOM 0 HD3 ARG A 30 28.949 -6.068 7.796 1.00 0.00 H new ATOM 0 HE ARG A 30 29.944 -3.342 7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 30 29.587 -6.248 9.812 1.00 0.00 H new ATOM 0 HH12 ARG A 30 30.913 -5.779 10.880 1.00 0.00 H new ATOM 0 HH21 ARG A 30 31.585 -2.760 9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 30 32.030 -3.827 10.538 1.00 0.00 H new ATOM 475 N MET A 31 24.500 -1.509 5.135 1.00 0.00 N ATOM 476 CA MET A 31 23.790 -0.243 4.877 1.00 0.00 C ATOM 477 C MET A 31 23.864 0.177 3.408 1.00 0.00 C ATOM 478 O MET A 31 23.527 1.287 3.007 1.00 0.00 O ATOM 479 CB MET A 31 24.254 0.877 5.800 1.00 0.00 C ATOM 480 CG MET A 31 23.900 0.623 7.271 1.00 0.00 C ATOM 481 SD MET A 31 24.131 2.068 8.344 1.00 0.00 S ATOM 482 CE MET A 31 23.389 1.473 9.887 1.00 0.00 C ATOM 0 H MET A 31 23.848 -2.262 5.355 1.00 0.00 H new ATOM 0 HA MET A 31 22.741 -0.433 5.103 1.00 0.00 H new ATOM 0 HB2 MET A 31 25.334 0.994 5.706 1.00 0.00 H new ATOM 0 HB3 MET A 31 23.802 1.816 5.480 1.00 0.00 H new ATOM 0 HG2 MET A 31 22.861 0.299 7.334 1.00 0.00 H new ATOM 0 HG3 MET A 31 24.513 -0.197 7.646 1.00 0.00 H new ATOM 0 HE1 MET A 31 23.455 2.252 10.646 1.00 0.00 H new ATOM 0 HE2 MET A 31 22.342 1.222 9.714 1.00 0.00 H new ATOM 0 HE3 MET A 31 23.923 0.587 10.229 1.00 0.00 H new ATOM 492 N THR A 32 24.337 -0.747 2.609 1.00 0.00 N ATOM 493 CA THR A 32 24.522 -0.720 1.180 1.00 0.00 C ATOM 494 C THR A 32 23.110 -0.862 0.585 1.00 0.00 C ATOM 495 O THR A 32 22.564 -1.969 0.529 1.00 0.00 O ATOM 496 CB THR A 32 25.473 -1.885 0.840 1.00 0.00 C ATOM 497 OG1 THR A 32 26.580 -1.912 1.732 1.00 0.00 O ATOM 498 CG2 THR A 32 26.038 -1.764 -0.562 1.00 0.00 C ATOM 0 H THR A 32 24.637 -1.643 2.992 1.00 0.00 H new ATOM 0 HA THR A 32 24.972 0.188 0.777 1.00 0.00 H new ATOM 0 HB THR A 32 24.878 -2.794 0.925 1.00 0.00 H new ATOM 0 HG1 THR A 32 27.169 -2.660 1.499 1.00 0.00 H new ATOM 0 HG21 THR A 32 26.703 -2.605 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.222 -1.768 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.596 -0.832 -0.650 1.00 0.00 H new ATOM 506 N ARG A 33 22.459 0.252 0.233 1.00 0.00 N ATOM 507 CA ARG A 33 21.110 0.263 -0.333 1.00 0.00 C ATOM 508 C ARG A 33 20.931 1.541 -1.143 1.00 0.00 C ATOM 509 O ARG A 33 21.296 2.608 -0.652 1.00 0.00 O ATOM 510 CB ARG A 33 20.057 0.095 0.783 1.00 0.00 C ATOM 511 CG ARG A 33 20.137 1.114 1.936 1.00 0.00 C ATOM 512 CD ARG A 33 19.381 0.623 3.176 1.00 0.00 C ATOM 513 NE ARG A 33 19.321 1.659 4.221 1.00 0.00 N ATOM 514 CZ ARG A 33 18.236 2.240 4.749 1.00 0.00 C ATOM 515 NH1 ARG A 33 17.007 1.951 4.335 1.00 0.00 N ATOM 516 NH2 ARG A 33 18.411 3.128 5.713 1.00 0.00 N ATOM 0 H ARG A 33 22.862 1.183 0.336 1.00 0.00 H new ATOM 0 HA ARG A 33 20.967 -0.581 -1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 33 19.066 0.159 0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 33 20.154 -0.907 1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 33 21.181 1.293 2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.721 2.067 1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 33 18.369 0.331 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 33 19.871 -0.266 3.573 1.00 0.00 H new ATOM 0 HE ARG A 33 20.219 1.974 4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.867 1.267 3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.204 2.413 4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.353 3.353 6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.604 3.588 6.135 1.00 0.00 H new ATOM 530 N CYS A 34 20.427 1.441 -2.373 1.00 0.00 N ATOM 531 CA CYS A 34 20.182 2.512 -3.329 1.00 0.00 C ATOM 532 C CYS A 34 19.136 2.026 -4.348 1.00 0.00 C ATOM 533 O CYS A 34 18.009 2.532 -4.300 1.00 0.00 O ATOM 534 CB CYS A 34 21.472 2.982 -4.031 1.00 0.00 C ATOM 535 SG CYS A 34 22.373 4.217 -3.062 1.00 0.00 S ATOM 0 H CYS A 34 20.159 0.533 -2.754 1.00 0.00 H new ATOM 0 HA CYS A 34 19.803 3.382 -2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 34 22.118 2.123 -4.211 1.00 0.00 H new ATOM 0 HB3 CYS A 34 21.220 3.401 -5.005 1.00 0.00 H new ATOM 0 HG CYS A 34 22.226 3.966 -1.795 1.00 0.00 H new ATOM 541 N PRO A 35 19.436 1.050 -5.233 1.00 0.00 N ATOM 542 CA PRO A 35 18.484 0.558 -6.228 1.00 0.00 C ATOM 543 C PRO A 35 17.214 -0.028 -5.602 1.00 0.00 C ATOM 544 O PRO A 35 16.173 -0.042 -6.260 1.00 0.00 O ATOM 545 CB PRO A 35 19.245 -0.464 -7.080 1.00 0.00 C ATOM 546 CG PRO A 35 20.380 -0.916 -6.171 1.00 0.00 C ATOM 547 CD PRO A 35 20.705 0.353 -5.401 1.00 0.00 C ATOM 0 HA PRO A 35 18.117 1.380 -6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.607 -1.299 -7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 35 19.622 -0.017 -8.000 1.00 0.00 H new ATOM 0 HG2 PRO A 35 20.073 -1.726 -5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 35 21.237 -1.277 -6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 35 21.155 0.121 -4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 35 21.421 0.969 -5.946 1.00 0.00 H new ATOM 555 N GLU A 36 17.262 -0.409 -4.321 1.00 0.00 N ATOM 556 CA GLU A 36 16.172 -0.972 -3.526 1.00 0.00 C ATOM 557 C GLU A 36 14.960 -0.027 -3.490 1.00 0.00 C ATOM 558 O GLU A 36 13.880 -0.441 -3.065 1.00 0.00 O ATOM 559 CB GLU A 36 16.655 -1.248 -2.087 1.00 0.00 C ATOM 560 CG GLU A 36 17.648 -2.413 -1.927 1.00 0.00 C ATOM 561 CD GLU A 36 18.941 -2.249 -2.726 1.00 0.00 C ATOM 562 OE1 GLU A 36 19.469 -1.117 -2.760 1.00 0.00 O ATOM 563 OE2 GLU A 36 19.468 -3.241 -3.275 1.00 0.00 O ATOM 0 H GLU A 36 18.122 -0.326 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 36 15.864 -1.906 -3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.121 -0.342 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.784 -1.449 -1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.898 -2.520 -0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.159 -3.337 -2.235 1.00 0.00 H new ATOM 570 N GLN A 37 15.120 1.240 -3.900 1.00 0.00 N ATOM 571 CA GLN A 37 14.023 2.213 -3.939 1.00 0.00 C ATOM 572 C GLN A 37 12.854 1.716 -4.813 1.00 0.00 C ATOM 573 O GLN A 37 11.697 2.088 -4.582 1.00 0.00 O ATOM 574 CB GLN A 37 14.510 3.578 -4.460 1.00 0.00 C ATOM 575 CG GLN A 37 14.848 3.591 -5.961 1.00 0.00 C ATOM 576 CD GLN A 37 15.025 5.011 -6.492 1.00 0.00 C ATOM 577 OE1 GLN A 37 15.809 5.804 -5.961 1.00 0.00 O ATOM 578 NE2 GLN A 37 14.271 5.364 -7.519 1.00 0.00 N ATOM 0 H GLN A 37 16.014 1.617 -4.214 1.00 0.00 H new ATOM 0 HA GLN A 37 13.667 2.329 -2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 37 13.741 4.325 -4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.394 3.876 -3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 37 15.762 3.023 -6.132 1.00 0.00 H new ATOM 0 HG3 GLN A 37 14.054 3.092 -6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.632 4.689 -7.938 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.328 6.312 -7.892 1.00 0.00 H new ATOM 587 N GLU A 38 13.149 0.860 -5.803 1.00 0.00 N ATOM 588 CA GLU A 38 12.136 0.329 -6.702 1.00 0.00 C ATOM 589 C GLU A 38 11.044 -0.377 -5.908 1.00 0.00 C ATOM 590 O GLU A 38 9.902 -0.397 -6.342 1.00 0.00 O ATOM 591 CB GLU A 38 12.743 -0.586 -7.779 1.00 0.00 C ATOM 592 CG GLU A 38 13.331 -1.911 -7.265 1.00 0.00 C ATOM 593 CD GLU A 38 13.601 -2.885 -8.413 1.00 0.00 C ATOM 594 OE1 GLU A 38 14.595 -2.694 -9.156 1.00 0.00 O ATOM 595 OE2 GLU A 38 12.814 -3.849 -8.557 1.00 0.00 O ATOM 0 H GLU A 38 14.093 0.524 -5.995 1.00 0.00 H new ATOM 0 HA GLU A 38 11.684 1.167 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.972 -0.812 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.529 -0.037 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.258 -1.715 -6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.641 -2.366 -6.555 1.00 0.00 H new ATOM 602 N LEU A 39 11.361 -0.930 -4.732 1.00 0.00 N ATOM 603 CA LEU A 39 10.386 -1.614 -3.906 1.00 0.00 C ATOM 604 C LEU A 39 9.355 -0.613 -3.405 1.00 0.00 C ATOM 605 O LEU A 39 8.176 -0.927 -3.309 1.00 0.00 O ATOM 606 CB LEU A 39 11.102 -2.281 -2.719 1.00 0.00 C ATOM 607 CG LEU A 39 10.493 -3.616 -2.274 1.00 0.00 C ATOM 608 CD1 LEU A 39 9.007 -3.597 -1.933 1.00 0.00 C ATOM 609 CD2 LEU A 39 10.770 -4.706 -3.308 1.00 0.00 C ATOM 0 H LEU A 39 12.301 -0.911 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 39 9.878 -2.381 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 39 12.146 -2.444 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.094 -1.593 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 39 10.995 -3.831 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.690 -4.596 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.830 -2.899 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.437 -3.283 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.330 -5.645 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.332 -4.420 -4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.846 -4.831 -3.425 1.00 0.00 H new ATOM 621 N ARG A 40 9.802 0.592 -3.048 1.00 0.00 N ATOM 622 CA ARG A 40 8.920 1.640 -2.545 1.00 0.00 C ATOM 623 C ARG A 40 7.942 2.021 -3.636 1.00 0.00 C ATOM 624 O ARG A 40 6.744 2.139 -3.369 1.00 0.00 O ATOM 625 CB ARG A 40 9.717 2.874 -2.095 1.00 0.00 C ATOM 626 CG ARG A 40 10.986 2.555 -1.298 1.00 0.00 C ATOM 627 CD ARG A 40 10.734 1.690 -0.056 1.00 0.00 C ATOM 628 NE ARG A 40 11.074 2.431 1.169 1.00 0.00 N ATOM 629 CZ ARG A 40 11.762 1.982 2.222 1.00 0.00 C ATOM 630 NH1 ARG A 40 12.106 0.706 2.315 1.00 0.00 N ATOM 631 NH2 ARG A 40 12.147 2.833 3.157 1.00 0.00 N ATOM 0 H ARG A 40 10.783 0.866 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 40 8.383 1.261 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.993 3.454 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.070 3.506 -1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.694 2.042 -1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.455 3.489 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.688 1.385 -0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.330 0.779 -0.114 1.00 0.00 H new ATOM 0 HE ARG A 40 10.748 3.396 1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.845 0.052 1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.631 0.377 3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.918 3.823 3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.673 2.500 3.965 1.00 0.00 H new ATOM 645 N LEU A 41 8.452 2.187 -4.858 1.00 0.00 N ATOM 646 CA LEU A 41 7.596 2.543 -5.984 1.00 0.00 C ATOM 647 C LEU A 41 6.660 1.369 -6.307 1.00 0.00 C ATOM 648 O LEU A 41 5.461 1.551 -6.521 1.00 0.00 O ATOM 649 CB LEU A 41 8.439 3.025 -7.174 1.00 0.00 C ATOM 650 CG LEU A 41 9.440 4.152 -6.817 1.00 0.00 C ATOM 651 CD1 LEU A 41 10.023 4.777 -8.083 1.00 0.00 C ATOM 652 CD2 LEU A 41 8.849 5.289 -5.971 1.00 0.00 C ATOM 0 H LEU A 41 9.440 2.082 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 41 6.957 3.387 -5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.991 2.178 -7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.772 3.380 -7.959 1.00 0.00 H new ATOM 0 HG LEU A 41 10.204 3.655 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.723 5.566 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.544 4.013 -8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.218 5.199 -8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.621 6.032 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.028 5.757 -6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.478 4.886 -5.028 1.00 0.00 H new ATOM 664 N GLN A 42 7.163 0.135 -6.240 1.00 0.00 N ATOM 665 CA GLN A 42 6.380 -1.065 -6.500 1.00 0.00 C ATOM 666 C GLN A 42 5.295 -1.258 -5.429 1.00 0.00 C ATOM 667 O GLN A 42 4.261 -1.870 -5.701 1.00 0.00 O ATOM 668 CB GLN A 42 7.332 -2.270 -6.648 1.00 0.00 C ATOM 669 CG GLN A 42 6.801 -3.381 -7.555 1.00 0.00 C ATOM 670 CD GLN A 42 6.571 -2.905 -8.983 1.00 0.00 C ATOM 671 OE1 GLN A 42 5.487 -2.432 -9.321 1.00 0.00 O ATOM 672 NE2 GLN A 42 7.567 -3.001 -9.838 1.00 0.00 N ATOM 0 H GLN A 42 8.136 -0.057 -6.001 1.00 0.00 H new ATOM 0 HA GLN A 42 5.839 -0.965 -7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.286 -1.919 -7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.529 -2.686 -5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.508 -4.210 -7.561 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.865 -3.763 -7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.459 -3.396 -9.540 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.447 -2.680 -10.799 1.00 0.00 H new ATOM 681 N ARG A 43 5.481 -0.714 -4.223 1.00 0.00 N ATOM 682 CA ARG A 43 4.516 -0.820 -3.137 1.00 0.00 C ATOM 683 C ARG A 43 3.405 0.209 -3.290 1.00 0.00 C ATOM 684 O ARG A 43 2.229 -0.153 -3.168 1.00 0.00 O ATOM 685 CB ARG A 43 5.208 -0.632 -1.775 1.00 0.00 C ATOM 686 CG ARG A 43 6.047 -1.854 -1.375 1.00 0.00 C ATOM 687 CD ARG A 43 5.383 -2.712 -0.296 1.00 0.00 C ATOM 688 NE ARG A 43 5.806 -4.113 -0.408 1.00 0.00 N ATOM 689 CZ ARG A 43 5.128 -5.116 -0.973 1.00 0.00 C ATOM 690 NH1 ARG A 43 3.899 -4.960 -1.456 1.00 0.00 N ATOM 691 NH2 ARG A 43 5.680 -6.316 -1.050 1.00 0.00 N ATOM 0 H ARG A 43 6.316 -0.183 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 43 4.078 -1.817 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.849 0.249 -1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.455 -0.445 -1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.228 -2.467 -2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.019 -1.517 -1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.642 -2.327 0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.299 -2.647 -0.389 1.00 0.00 H new ATOM 0 HE ARG A 43 6.716 -4.346 -0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.442 -4.050 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.414 -5.750 -1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.618 -6.471 -0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.168 -7.086 -1.480 1.00 0.00 H new ATOM 705 N LEU A 44 3.753 1.471 -3.555 1.00 0.00 N ATOM 706 CA LEU A 44 2.773 2.544 -3.695 1.00 0.00 C ATOM 707 C LEU A 44 1.853 2.349 -4.905 1.00 0.00 C ATOM 708 O LEU A 44 0.683 2.725 -4.837 1.00 0.00 O ATOM 709 CB LEU A 44 3.473 3.919 -3.626 1.00 0.00 C ATOM 710 CG LEU A 44 4.162 4.390 -4.919 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.214 5.196 -5.801 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.374 5.284 -4.641 1.00 0.00 C ATOM 0 H LEU A 44 4.719 1.774 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 44 2.089 2.507 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.734 4.667 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.219 3.886 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 44 4.477 3.476 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.737 5.511 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.358 4.579 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.869 6.075 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.825 5.590 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.055 6.168 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.106 4.732 -4.051 1.00 0.00 H new ATOM 724 N GLU A 45 2.321 1.706 -5.977 1.00 0.00 N ATOM 725 CA GLU A 45 1.577 1.447 -7.201 1.00 0.00 C ATOM 726 C GLU A 45 0.638 0.248 -7.059 1.00 0.00 C ATOM 727 O GLU A 45 -0.039 -0.099 -8.017 1.00 0.00 O ATOM 728 CB GLU A 45 2.527 1.344 -8.402 1.00 0.00 C ATOM 729 CG GLU A 45 3.069 2.732 -8.782 1.00 0.00 C ATOM 730 CD GLU A 45 1.970 3.723 -9.204 1.00 0.00 C ATOM 731 OE1 GLU A 45 1.092 3.355 -10.020 1.00 0.00 O ATOM 732 OE2 GLU A 45 1.946 4.873 -8.704 1.00 0.00 O ATOM 0 H GLU A 45 3.271 1.337 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 45 0.924 2.298 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.355 0.677 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.002 0.907 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.614 3.146 -7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.783 2.624 -9.598 1.00 0.00 H new ATOM 739 N ARG A 46 0.574 -0.418 -5.895 1.00 0.00 N ATOM 740 CA ARG A 46 -0.367 -1.526 -5.714 1.00 0.00 C ATOM 741 C ARG A 46 -1.795 -0.992 -5.564 1.00 0.00 C ATOM 742 O ARG A 46 -2.700 -1.803 -5.431 1.00 0.00 O ATOM 743 CB ARG A 46 -0.011 -2.451 -4.543 1.00 0.00 C ATOM 744 CG ARG A 46 1.151 -3.387 -4.885 1.00 0.00 C ATOM 745 CD ARG A 46 1.015 -4.756 -4.205 1.00 0.00 C ATOM 746 NE ARG A 46 0.754 -4.647 -2.762 1.00 0.00 N ATOM 747 CZ ARG A 46 0.119 -5.531 -1.990 1.00 0.00 C ATOM 748 NH1 ARG A 46 -0.155 -6.750 -2.440 1.00 0.00 N ATOM 749 NH2 ARG A 46 -0.226 -5.187 -0.758 1.00 0.00 N ATOM 0 H ARG A 46 1.153 -0.211 -5.081 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.297 -2.138 -6.613 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.252 -1.850 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.885 -3.043 -4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.199 -3.523 -5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.090 -2.924 -4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.205 -5.313 -4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.929 -5.328 -4.363 1.00 0.00 H new ATOM 0 HE ARG A 46 1.096 -3.804 -2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.120 -7.019 -3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.641 -7.418 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.006 -4.254 -0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.712 -5.855 -0.159 1.00 0.00 H new ATOM 763 N LEU A 47 -2.013 0.329 -5.571 1.00 0.00 N ATOM 764 CA LEU A 47 -3.322 0.979 -5.478 1.00 0.00 C ATOM 765 C LEU A 47 -4.372 0.200 -6.302 1.00 0.00 C ATOM 766 O LEU A 47 -5.331 -0.313 -5.713 1.00 0.00 O ATOM 767 CB LEU A 47 -3.194 2.439 -5.960 1.00 0.00 C ATOM 768 CG LEU A 47 -2.813 3.484 -4.902 1.00 0.00 C ATOM 769 CD1 LEU A 47 -2.503 4.783 -5.647 1.00 0.00 C ATOM 770 CD2 LEU A 47 -3.915 3.767 -3.880 1.00 0.00 C ATOM 0 H LEU A 47 -1.249 1.000 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.661 0.981 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.448 2.471 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.144 2.735 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.965 3.093 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.226 5.556 -4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.677 4.617 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.384 5.102 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.567 4.515 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.801 4.139 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.163 2.848 -3.349 1.00 0.00 H new ATOM 782 N PRO A 48 -4.204 0.039 -7.631 1.00 0.00 N ATOM 783 CA PRO A 48 -5.158 -0.697 -8.453 1.00 0.00 C ATOM 784 C PRO A 48 -5.238 -2.178 -8.066 1.00 0.00 C ATOM 785 O PRO A 48 -6.329 -2.744 -8.084 1.00 0.00 O ATOM 786 CB PRO A 48 -4.699 -0.505 -9.903 1.00 0.00 C ATOM 787 CG PRO A 48 -3.205 -0.203 -9.775 1.00 0.00 C ATOM 788 CD PRO A 48 -3.141 0.581 -8.470 1.00 0.00 C ATOM 0 HA PRO A 48 -6.170 -0.319 -8.307 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.877 -1.399 -10.501 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -5.233 0.313 -10.387 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.609 -1.114 -9.731 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.835 0.380 -10.618 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.168 0.467 -7.992 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.286 1.647 -8.646 1.00 0.00 H new ATOM 796 N GLU A 49 -4.113 -2.811 -7.717 1.00 0.00 N ATOM 797 CA GLU A 49 -4.066 -4.215 -7.324 1.00 0.00 C ATOM 798 C GLU A 49 -5.006 -4.448 -6.139 1.00 0.00 C ATOM 799 O GLU A 49 -5.834 -5.352 -6.200 1.00 0.00 O ATOM 800 CB GLU A 49 -2.620 -4.642 -6.994 1.00 0.00 C ATOM 801 CG GLU A 49 -2.460 -6.159 -6.816 1.00 0.00 C ATOM 802 CD GLU A 49 -2.613 -6.936 -8.125 1.00 0.00 C ATOM 803 OE1 GLU A 49 -1.628 -7.027 -8.889 1.00 0.00 O ATOM 804 OE2 GLU A 49 -3.693 -7.516 -8.389 1.00 0.00 O ATOM 0 H GLU A 49 -3.201 -2.354 -7.701 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.402 -4.833 -8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.958 -4.305 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.300 -4.140 -6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.479 -6.367 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.201 -6.515 -6.100 1.00 0.00 H new ATOM 811 N LEU A 50 -4.900 -3.641 -5.075 1.00 0.00 N ATOM 812 CA LEU A 50 -5.751 -3.774 -3.894 1.00 0.00 C ATOM 813 C LEU A 50 -7.217 -3.618 -4.298 1.00 0.00 C ATOM 814 O LEU A 50 -8.034 -4.452 -3.913 1.00 0.00 O ATOM 815 CB LEU A 50 -5.385 -2.765 -2.780 1.00 0.00 C ATOM 816 CG LEU A 50 -4.251 -3.136 -1.792 1.00 0.00 C ATOM 817 CD1 LEU A 50 -4.386 -4.527 -1.163 1.00 0.00 C ATOM 818 CD2 LEU A 50 -2.879 -3.041 -2.454 1.00 0.00 C ATOM 0 H LEU A 50 -4.223 -2.881 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.586 -4.769 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.112 -1.825 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.285 -2.575 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.346 -2.402 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.550 -4.703 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.322 -4.586 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.382 -5.283 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.107 -3.308 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.836 -3.725 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.713 -2.022 -2.802 1.00 0.00 H new ATOM 830 N ALA A 51 -7.563 -2.599 -5.095 1.00 0.00 N ATOM 831 CA ALA A 51 -8.944 -2.388 -5.527 1.00 0.00 C ATOM 832 C ALA A 51 -9.498 -3.605 -6.288 1.00 0.00 C ATOM 833 O ALA A 51 -10.598 -4.084 -5.992 1.00 0.00 O ATOM 834 CB ALA A 51 -9.034 -1.116 -6.379 1.00 0.00 C ATOM 0 H ALA A 51 -6.902 -1.909 -5.452 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.563 -2.263 -4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.065 -0.964 -6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.706 -0.259 -5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.395 -1.219 -7.256 1.00 0.00 H new ATOM 840 N ARG A 52 -8.760 -4.116 -7.280 1.00 0.00 N ATOM 841 CA ARG A 52 -9.217 -5.268 -8.058 1.00 0.00 C ATOM 842 C ARG A 52 -9.320 -6.506 -7.179 1.00 0.00 C ATOM 843 O ARG A 52 -10.343 -7.188 -7.232 1.00 0.00 O ATOM 844 CB ARG A 52 -8.314 -5.532 -9.271 1.00 0.00 C ATOM 845 CG ARG A 52 -8.351 -4.374 -10.276 1.00 0.00 C ATOM 846 CD ARG A 52 -7.654 -4.753 -11.589 1.00 0.00 C ATOM 847 NE ARG A 52 -8.537 -5.491 -12.512 1.00 0.00 N ATOM 848 CZ ARG A 52 -9.543 -4.973 -13.225 1.00 0.00 C ATOM 849 NH1 ARG A 52 -9.901 -3.705 -13.066 1.00 0.00 N ATOM 850 NH2 ARG A 52 -10.203 -5.734 -14.089 1.00 0.00 N ATOM 0 H ARG A 52 -7.850 -3.751 -7.560 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.211 -5.032 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.289 -5.687 -8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.629 -6.451 -9.765 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.386 -4.098 -10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.866 -3.499 -9.844 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.297 -3.848 -12.080 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.777 -5.362 -11.367 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.364 -6.491 -12.616 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.408 -3.116 -12.395 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.670 -3.319 -13.615 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.943 -6.713 -14.209 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.970 -5.340 -14.633 1.00 0.00 H new ATOM 864 N VAL A 53 -8.289 -6.810 -6.388 1.00 0.00 N ATOM 865 CA VAL A 53 -8.297 -7.970 -5.509 1.00 0.00 C ATOM 866 C VAL A 53 -9.484 -7.854 -4.559 1.00 0.00 C ATOM 867 O VAL A 53 -10.214 -8.825 -4.433 1.00 0.00 O ATOM 868 CB VAL A 53 -6.942 -8.134 -4.794 1.00 0.00 C ATOM 869 CG1 VAL A 53 -6.980 -9.234 -3.721 1.00 0.00 C ATOM 870 CG2 VAL A 53 -5.856 -8.526 -5.806 1.00 0.00 C ATOM 0 H VAL A 53 -7.432 -6.259 -6.342 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.424 -8.886 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.724 -7.176 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.002 -9.312 -3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.730 -8.984 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.234 -10.187 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.902 -8.639 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.126 -9.469 -6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.768 -7.748 -6.565 1.00 0.00 H new ATOM 880 N LEU A 54 -9.756 -6.696 -3.956 1.00 0.00 N ATOM 881 CA LEU A 54 -10.883 -6.512 -3.047 1.00 0.00 C ATOM 882 C LEU A 54 -12.189 -7.003 -3.684 1.00 0.00 C ATOM 883 O LEU A 54 -12.917 -7.829 -3.126 1.00 0.00 O ATOM 884 CB LEU A 54 -10.964 -5.033 -2.648 1.00 0.00 C ATOM 885 CG LEU A 54 -12.191 -4.814 -1.759 1.00 0.00 C ATOM 886 CD1 LEU A 54 -11.809 -3.989 -0.531 1.00 0.00 C ATOM 887 CD2 LEU A 54 -13.372 -4.167 -2.475 1.00 0.00 C ATOM 0 H LEU A 54 -9.195 -5.854 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.730 -7.110 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.059 -4.738 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.030 -4.408 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.526 -5.807 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.689 -3.839 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.044 -4.517 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.421 -3.021 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.200 -4.047 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.075 -3.190 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.686 -4.801 -3.304 1.00 0.00 H new ATOM 899 N ARG A 55 -12.468 -6.497 -4.881 1.00 0.00 N ATOM 900 CA ARG A 55 -13.648 -6.852 -5.671 1.00 0.00 C ATOM 901 C ARG A 55 -13.689 -8.370 -5.839 1.00 0.00 C ATOM 902 O ARG A 55 -14.736 -8.965 -5.593 1.00 0.00 O ATOM 903 CB ARG A 55 -13.606 -6.160 -7.050 1.00 0.00 C ATOM 904 CG ARG A 55 -14.887 -6.377 -7.878 1.00 0.00 C ATOM 905 CD ARG A 55 -14.651 -6.053 -9.360 1.00 0.00 C ATOM 906 NE ARG A 55 -15.906 -6.096 -10.128 1.00 0.00 N ATOM 907 CZ ARG A 55 -16.096 -6.493 -11.393 1.00 0.00 C ATOM 908 NH1 ARG A 55 -15.111 -6.955 -12.152 1.00 0.00 N ATOM 909 NH2 ARG A 55 -17.312 -6.426 -11.907 1.00 0.00 N ATOM 0 H ARG A 55 -11.868 -5.813 -5.342 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.547 -6.515 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.450 -5.091 -6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.750 -6.535 -7.612 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.218 -7.411 -7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.686 -5.747 -7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.202 -5.064 -9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.941 -6.765 -9.781 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.740 -5.782 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.165 -7.018 -11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.300 -7.247 -13.111 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.086 -6.076 -11.342 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.476 -6.724 -12.869 1.00 0.00 H new ATOM 923 N ASN A 56 -12.578 -8.985 -6.252 1.00 0.00 N ATOM 924 CA ASN A 56 -12.455 -10.422 -6.478 1.00 0.00 C ATOM 925 C ASN A 56 -12.786 -11.191 -5.203 1.00 0.00 C ATOM 926 O ASN A 56 -13.597 -12.114 -5.220 1.00 0.00 O ATOM 927 CB ASN A 56 -11.042 -10.777 -6.968 1.00 0.00 C ATOM 928 CG ASN A 56 -10.671 -10.147 -8.305 1.00 0.00 C ATOM 929 OD1 ASN A 56 -11.536 -9.819 -9.114 1.00 0.00 O ATOM 930 ND2 ASN A 56 -9.384 -9.963 -8.544 1.00 0.00 N ATOM 0 H ASN A 56 -11.714 -8.478 -6.444 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.167 -10.709 -7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.318 -10.461 -6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.960 -11.861 -7.054 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.084 -9.537 -9.421 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.691 -10.247 -7.851 1.00 0.00 H new ATOM 937 N VAL A 57 -12.178 -10.787 -4.091 1.00 0.00 N ATOM 938 CA VAL A 57 -12.332 -11.354 -2.761 1.00 0.00 C ATOM 939 C VAL A 57 -13.814 -11.351 -2.382 1.00 0.00 C ATOM 940 O VAL A 57 -14.314 -12.372 -1.914 1.00 0.00 O ATOM 941 CB VAL A 57 -11.397 -10.579 -1.801 1.00 0.00 C ATOM 942 CG1 VAL A 57 -11.637 -10.849 -0.314 1.00 0.00 C ATOM 943 CG2 VAL A 57 -9.933 -10.903 -2.126 1.00 0.00 C ATOM 0 H VAL A 57 -11.524 -10.005 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.029 -12.400 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.626 -9.526 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.936 -10.263 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.657 -10.568 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.489 -11.909 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.280 -10.355 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.762 -11.973 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.715 -10.612 -3.154 1.00 0.00 H new ATOM 953 N PHE A 58 -14.541 -10.249 -2.590 1.00 0.00 N ATOM 954 CA PHE A 58 -15.967 -10.186 -2.273 1.00 0.00 C ATOM 955 C PHE A 58 -16.772 -11.043 -3.252 1.00 0.00 C ATOM 956 O PHE A 58 -17.703 -11.739 -2.848 1.00 0.00 O ATOM 957 CB PHE A 58 -16.465 -8.736 -2.327 1.00 0.00 C ATOM 958 CG PHE A 58 -16.494 -8.020 -0.994 1.00 0.00 C ATOM 959 CD1 PHE A 58 -15.385 -8.066 -0.131 1.00 0.00 C ATOM 960 CD2 PHE A 58 -17.637 -7.294 -0.615 1.00 0.00 C ATOM 961 CE1 PHE A 58 -15.426 -7.389 1.099 1.00 0.00 C ATOM 962 CE2 PHE A 58 -17.662 -6.581 0.596 1.00 0.00 C ATOM 963 CZ PHE A 58 -16.562 -6.649 1.467 1.00 0.00 C ATOM 0 H PHE A 58 -14.161 -9.386 -2.978 1.00 0.00 H new ATOM 0 HA PHE A 58 -16.108 -10.573 -1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -15.828 -8.174 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.470 -8.728 -2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -14.503 -8.621 -0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -18.503 -7.284 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -14.578 -7.438 1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.523 -5.983 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 58 -16.590 -6.134 2.416 1.00 0.00 H new ATOM 973 N VAL A 59 -16.442 -10.989 -4.544 1.00 0.00 N ATOM 974 CA VAL A 59 -17.128 -11.757 -5.575 1.00 0.00 C ATOM 975 C VAL A 59 -17.120 -13.248 -5.222 1.00 0.00 C ATOM 976 O VAL A 59 -18.187 -13.865 -5.175 1.00 0.00 O ATOM 977 CB VAL A 59 -16.488 -11.492 -6.967 1.00 0.00 C ATOM 978 CG1 VAL A 59 -16.716 -12.623 -7.979 1.00 0.00 C ATOM 979 CG2 VAL A 59 -17.035 -10.203 -7.595 1.00 0.00 C ATOM 0 H VAL A 59 -15.686 -10.406 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 59 -18.168 -11.434 -5.625 1.00 0.00 H new ATOM 0 HB VAL A 59 -15.420 -11.413 -6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -16.240 -12.366 -8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -16.284 -13.547 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -17.786 -12.761 -8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -16.568 -10.045 -8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.114 -10.289 -7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.811 -9.358 -6.944 1.00 0.00 H new ATOM 989 N SER A 60 -15.944 -13.824 -4.975 1.00 0.00 N ATOM 990 CA SER A 60 -15.790 -15.239 -4.682 1.00 0.00 C ATOM 991 C SER A 60 -16.377 -15.649 -3.341 1.00 0.00 C ATOM 992 O SER A 60 -16.720 -16.818 -3.157 1.00 0.00 O ATOM 993 CB SER A 60 -14.319 -15.623 -4.810 1.00 0.00 C ATOM 994 OG SER A 60 -13.849 -15.269 -6.098 1.00 0.00 O ATOM 0 H SER A 60 -15.063 -13.310 -4.974 1.00 0.00 H new ATOM 0 HA SER A 60 -16.371 -15.796 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.732 -15.115 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.196 -16.694 -4.648 1.00 0.00 H new ATOM 0 HG SER A 60 -13.648 -14.310 -6.121 1.00 0.00 H new ATOM 1000 N GLU A 61 -16.584 -14.705 -2.428 1.00 0.00 N ATOM 1001 CA GLU A 61 -17.154 -14.988 -1.122 1.00 0.00 C ATOM 1002 C GLU A 61 -18.658 -15.290 -1.217 1.00 0.00 C ATOM 1003 O GLU A 61 -19.269 -15.656 -0.214 1.00 0.00 O ATOM 1004 CB GLU A 61 -16.919 -13.751 -0.258 1.00 0.00 C ATOM 1005 CG GLU A 61 -16.930 -14.003 1.256 1.00 0.00 C ATOM 1006 CD GLU A 61 -15.769 -14.872 1.756 1.00 0.00 C ATOM 1007 OE1 GLU A 61 -14.592 -14.583 1.436 1.00 0.00 O ATOM 1008 OE2 GLU A 61 -16.014 -15.825 2.530 1.00 0.00 O ATOM 0 H GLU A 61 -16.360 -13.721 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.682 -15.871 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.959 -13.313 -0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -17.685 -13.012 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.900 -13.044 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.871 -14.482 1.527 1.00 0.00 H new ATOM 1015 N ARG A 62 -19.281 -15.145 -2.399 1.00 0.00 N ATOM 1016 CA ARG A 62 -20.712 -15.375 -2.647 1.00 0.00 C ATOM 1017 C ARG A 62 -21.583 -14.345 -1.911 1.00 0.00 C ATOM 1018 O ARG A 62 -22.813 -14.461 -1.933 1.00 0.00 O ATOM 1019 CB ARG A 62 -21.070 -16.858 -2.355 1.00 0.00 C ATOM 1020 CG ARG A 62 -22.512 -17.280 -2.686 1.00 0.00 C ATOM 1021 CD ARG A 62 -22.630 -18.794 -2.867 1.00 0.00 C ATOM 1022 NE ARG A 62 -22.507 -19.536 -1.599 1.00 0.00 N ATOM 1023 CZ ARG A 62 -22.416 -20.869 -1.518 1.00 0.00 C ATOM 1024 NH1 ARG A 62 -22.261 -21.601 -2.612 1.00 0.00 N ATOM 1025 NH2 ARG A 62 -22.483 -21.473 -0.341 1.00 0.00 N ATOM 0 H ARG A 62 -18.781 -14.853 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 62 -20.934 -15.213 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -20.388 -17.494 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -20.888 -17.054 -1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -23.179 -16.956 -1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -22.838 -16.778 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -23.591 -19.026 -3.326 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -21.857 -19.133 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 62 -22.490 -19.001 -0.731 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -22.210 -21.149 -3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -22.193 -22.616 -2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -22.604 -20.922 0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -22.413 -22.489 -0.284 1.00 0.00 H new ATOM 1039 N LYS A 63 -21.003 -13.311 -1.285 1.00 0.00 N ATOM 1040 CA LYS A 63 -21.752 -12.305 -0.550 1.00 0.00 C ATOM 1041 C LYS A 63 -21.158 -10.917 -0.737 1.00 0.00 C ATOM 1042 O LYS A 63 -19.948 -10.760 -0.615 1.00 0.00 O ATOM 1043 CB LYS A 63 -21.896 -12.713 0.924 1.00 0.00 C ATOM 1044 CG LYS A 63 -20.577 -12.975 1.666 1.00 0.00 C ATOM 1045 CD LYS A 63 -20.760 -13.665 3.025 1.00 0.00 C ATOM 1046 CE LYS A 63 -21.413 -15.041 2.899 1.00 0.00 C ATOM 1047 NZ LYS A 63 -21.273 -15.821 4.145 1.00 0.00 N ATOM 0 H LYS A 63 -19.995 -13.156 -1.280 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.760 -12.249 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -22.439 -11.928 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -22.508 -13.614 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -19.934 -13.592 1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.060 -12.027 1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.789 -13.770 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -21.371 -13.034 3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -22.470 -14.923 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -20.957 -15.587 2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -21.727 -16.749 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.264 -15.954 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -21.730 -15.310 4.927 1.00 0.00 H new ATOM 1061 N PRO A 64 -21.989 -9.903 -1.036 1.00 0.00 N ATOM 1062 CA PRO A 64 -21.534 -8.533 -1.224 1.00 0.00 C ATOM 1063 C PRO A 64 -21.371 -7.801 0.118 1.00 0.00 C ATOM 1064 O PRO A 64 -21.087 -6.604 0.123 1.00 0.00 O ATOM 1065 CB PRO A 64 -22.650 -7.878 -2.048 1.00 0.00 C ATOM 1066 CG PRO A 64 -23.898 -8.526 -1.447 1.00 0.00 C ATOM 1067 CD PRO A 64 -23.438 -9.963 -1.213 1.00 0.00 C ATOM 0 HA PRO A 64 -20.559 -8.493 -1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -22.658 -6.794 -1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -22.551 -8.089 -3.113 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -24.202 -8.040 -0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -24.749 -8.477 -2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -23.920 -10.388 -0.333 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -23.701 -10.599 -2.059 1.00 0.00 H new ATOM 1075 N ALA A 65 -21.609 -8.477 1.248 1.00 0.00 N ATOM 1076 CA ALA A 65 -21.510 -7.908 2.576 1.00 0.00 C ATOM 1077 C ALA A 65 -20.807 -8.898 3.495 1.00 0.00 C ATOM 1078 O ALA A 65 -21.126 -10.090 3.438 1.00 0.00 O ATOM 1079 CB ALA A 65 -22.921 -7.584 3.078 1.00 0.00 C ATOM 0 H ALA A 65 -21.882 -9.460 1.253 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.926 -6.988 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -22.862 -7.154 4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -23.392 -6.869 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.514 -8.498 3.110 1.00 0.00 H new ATOM 1085 N LEU A 66 -19.874 -8.413 4.320 1.00 0.00 N ATOM 1086 CA LEU A 66 -19.086 -9.210 5.258 1.00 0.00 C ATOM 1087 C LEU A 66 -18.968 -8.512 6.605 1.00 0.00 C ATOM 1088 O LEU A 66 -18.959 -7.284 6.658 1.00 0.00 O ATOM 1089 CB LEU A 66 -17.644 -9.396 4.725 1.00 0.00 C ATOM 1090 CG LEU A 66 -17.380 -10.527 3.716 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -18.036 -11.818 4.207 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -17.795 -10.184 2.277 1.00 0.00 C ATOM 0 H LEU A 66 -19.641 -7.421 4.352 1.00 0.00 H new ATOM 0 HA LEU A 66 -19.595 -10.168 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -17.337 -8.458 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.991 -9.556 5.583 1.00 0.00 H new ATOM 0 HG LEU A 66 -16.300 -10.668 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.847 -12.617 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.618 -12.093 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -19.111 -11.665 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -17.578 -11.030 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -18.863 -9.968 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -17.239 -9.311 1.936 1.00 0.00 H new ATOM 1104 N THR A 67 -18.823 -9.288 7.678 1.00 0.00 N ATOM 1105 CA THR A 67 -18.666 -8.806 9.047 1.00 0.00 C ATOM 1106 C THR A 67 -17.343 -8.041 9.165 1.00 0.00 C ATOM 1107 O THR A 67 -16.404 -8.338 8.421 1.00 0.00 O ATOM 1108 CB THR A 67 -18.715 -10.005 10.018 1.00 0.00 C ATOM 1109 OG1 THR A 67 -19.375 -11.149 9.481 1.00 0.00 O ATOM 1110 CG2 THR A 67 -19.433 -9.585 11.294 1.00 0.00 C ATOM 0 H THR A 67 -18.811 -10.306 7.614 1.00 0.00 H new ATOM 0 HA THR A 67 -19.477 -8.125 9.307 1.00 0.00 H new ATOM 0 HB THR A 67 -17.681 -10.291 10.210 1.00 0.00 H new ATOM 0 HG1 THR A 67 -19.370 -11.871 10.144 1.00 0.00 H new ATOM 0 HG21 THR A 67 -19.471 -10.428 11.984 1.00 0.00 H new ATOM 0 HG22 THR A 67 -18.895 -8.759 11.759 1.00 0.00 H new ATOM 0 HG23 THR A 67 -20.447 -9.267 11.053 1.00 0.00 H new ATOM 1118 N MET A 68 -17.254 -7.093 10.105 1.00 0.00 N ATOM 1119 CA MET A 68 -16.078 -6.259 10.350 1.00 0.00 C ATOM 1120 C MET A 68 -14.832 -7.116 10.508 1.00 0.00 C ATOM 1121 O MET A 68 -13.832 -6.896 9.823 1.00 0.00 O ATOM 1122 CB MET A 68 -16.351 -5.321 11.540 1.00 0.00 C ATOM 1123 CG MET A 68 -15.187 -4.381 11.861 1.00 0.00 C ATOM 1124 SD MET A 68 -14.562 -3.384 10.487 1.00 0.00 S ATOM 1125 CE MET A 68 -16.082 -2.609 9.878 1.00 0.00 C ATOM 0 H MET A 68 -18.027 -6.880 10.736 1.00 0.00 H new ATOM 0 HA MET A 68 -15.881 -5.621 9.488 1.00 0.00 H new ATOM 0 HB2 MET A 68 -17.239 -4.726 11.326 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.575 -5.922 12.421 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.501 -3.707 12.658 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.363 -4.977 12.254 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.855 -1.614 9.496 1.00 0.00 H new ATOM 0 HE2 MET A 68 -16.505 -3.217 9.079 1.00 0.00 H new ATOM 0 HE3 MET A 68 -16.801 -2.529 10.693 1.00 0.00 H new ATOM 1135 N GLU A 69 -14.914 -8.131 11.363 1.00 0.00 N ATOM 1136 CA GLU A 69 -13.770 -9.000 11.586 1.00 0.00 C ATOM 1137 C GLU A 69 -13.504 -9.885 10.376 1.00 0.00 C ATOM 1138 O GLU A 69 -12.343 -10.098 10.046 1.00 0.00 O ATOM 1139 CB GLU A 69 -13.982 -9.853 12.830 1.00 0.00 C ATOM 1140 CG GLU A 69 -12.759 -10.710 13.162 1.00 0.00 C ATOM 1141 CD GLU A 69 -12.890 -11.254 14.577 1.00 0.00 C ATOM 1142 OE1 GLU A 69 -13.729 -12.150 14.824 1.00 0.00 O ATOM 1143 OE2 GLU A 69 -12.226 -10.716 15.493 1.00 0.00 O ATOM 0 H GLU A 69 -15.746 -8.367 11.903 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.896 -8.367 11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.210 -9.206 13.677 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.847 -10.500 12.681 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.674 -11.532 12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.850 -10.116 13.072 1.00 0.00 H new ATOM 1150 N VAL A 70 -14.547 -10.382 9.705 1.00 0.00 N ATOM 1151 CA VAL A 70 -14.363 -11.251 8.547 1.00 0.00 C ATOM 1152 C VAL A 70 -13.573 -10.536 7.449 1.00 0.00 C ATOM 1153 O VAL A 70 -12.583 -11.100 6.978 1.00 0.00 O ATOM 1154 CB VAL A 70 -15.707 -11.836 8.076 1.00 0.00 C ATOM 1155 CG1 VAL A 70 -15.570 -12.706 6.817 1.00 0.00 C ATOM 1156 CG2 VAL A 70 -16.294 -12.721 9.184 1.00 0.00 C ATOM 0 H VAL A 70 -15.521 -10.197 9.945 1.00 0.00 H new ATOM 0 HA VAL A 70 -13.756 -12.109 8.836 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.351 -10.988 7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.549 -13.091 6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -15.165 -12.106 6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.898 -13.540 7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.246 -13.136 8.852 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.602 -13.533 9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -16.452 -12.123 10.082 1.00 0.00 H new ATOM 1166 N VAL A 71 -13.976 -9.326 7.038 1.00 0.00 N ATOM 1167 CA VAL A 71 -13.265 -8.583 5.994 1.00 0.00 C ATOM 1168 C VAL A 71 -11.858 -8.180 6.463 1.00 0.00 C ATOM 1169 O VAL A 71 -10.929 -8.134 5.658 1.00 0.00 O ATOM 1170 CB VAL A 71 -14.103 -7.387 5.498 1.00 0.00 C ATOM 1171 CG1 VAL A 71 -14.342 -6.309 6.559 1.00 0.00 C ATOM 1172 CG2 VAL A 71 -13.469 -6.725 4.269 1.00 0.00 C ATOM 0 H VAL A 71 -14.791 -8.842 7.414 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.125 -9.238 5.134 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.069 -7.822 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.939 -5.503 6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.873 -6.743 7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.385 -5.912 6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.087 -5.887 3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.472 -6.365 4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.396 -7.453 3.461 1.00 0.00 H new ATOM 1182 N CYS A 72 -11.702 -7.901 7.757 1.00 0.00 N ATOM 1183 CA CYS A 72 -10.441 -7.510 8.370 1.00 0.00 C ATOM 1184 C CYS A 72 -9.470 -8.677 8.235 1.00 0.00 C ATOM 1185 O CYS A 72 -8.404 -8.526 7.641 1.00 0.00 O ATOM 1186 CB CYS A 72 -10.677 -7.104 9.831 1.00 0.00 C ATOM 1187 SG CYS A 72 -9.106 -6.696 10.633 1.00 0.00 S ATOM 0 H CYS A 72 -12.473 -7.943 8.423 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.009 -6.642 7.871 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -11.348 -6.246 9.873 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -11.166 -7.917 10.367 1.00 0.00 H new ATOM 0 HG CYS A 72 -9.325 -6.353 11.868 1.00 0.00 H new ATOM 1193 N ALA A 73 -9.862 -9.844 8.755 1.00 0.00 N ATOM 1194 CA ALA A 73 -9.106 -11.085 8.723 1.00 0.00 C ATOM 1195 C ALA A 73 -8.728 -11.407 7.271 1.00 0.00 C ATOM 1196 O ALA A 73 -7.582 -11.734 6.963 1.00 0.00 O ATOM 1197 CB ALA A 73 -9.955 -12.179 9.369 1.00 0.00 C ATOM 0 H ALA A 73 -10.758 -9.947 9.231 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.176 -11.004 9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.406 -13.121 9.356 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.180 -11.904 10.400 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.886 -12.293 8.813 1.00 0.00 H new ATOM 1203 N ARG A 74 -9.698 -11.265 6.364 1.00 0.00 N ATOM 1204 CA ARG A 74 -9.538 -11.500 4.935 1.00 0.00 C ATOM 1205 C ARG A 74 -8.482 -10.588 4.325 1.00 0.00 C ATOM 1206 O ARG A 74 -7.820 -11.005 3.372 1.00 0.00 O ATOM 1207 CB ARG A 74 -10.883 -11.222 4.242 1.00 0.00 C ATOM 1208 CG ARG A 74 -11.800 -12.444 4.185 1.00 0.00 C ATOM 1209 CD ARG A 74 -11.355 -13.495 3.165 1.00 0.00 C ATOM 1210 NE ARG A 74 -12.355 -14.569 3.108 1.00 0.00 N ATOM 1211 CZ ARG A 74 -12.378 -15.693 3.828 1.00 0.00 C ATOM 1212 NH1 ARG A 74 -11.348 -16.070 4.580 1.00 0.00 N ATOM 1213 NH2 ARG A 74 -13.462 -16.456 3.748 1.00 0.00 N ATOM 0 H ARG A 74 -10.643 -10.975 6.616 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.219 -12.533 4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.395 -10.417 4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.695 -10.870 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.842 -12.903 5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.811 -12.118 3.941 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.238 -13.038 2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.383 -13.902 3.445 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.118 -14.442 2.443 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.507 -15.494 4.619 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.399 -16.935 5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.240 -16.176 3.151 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.516 -17.322 4.283 1.00 0.00 H new ATOM 1227 N MET A 75 -8.360 -9.349 4.802 1.00 0.00 N ATOM 1228 CA MET A 75 -7.390 -8.420 4.264 1.00 0.00 C ATOM 1229 C MET A 75 -6.026 -8.613 4.909 1.00 0.00 C ATOM 1230 O MET A 75 -5.052 -8.743 4.170 1.00 0.00 O ATOM 1231 CB MET A 75 -7.863 -6.961 4.379 1.00 0.00 C ATOM 1232 CG MET A 75 -7.421 -6.195 3.122 1.00 0.00 C ATOM 1233 SD MET A 75 -8.581 -6.118 1.711 1.00 0.00 S ATOM 1234 CE MET A 75 -9.603 -7.618 1.830 1.00 0.00 C ATOM 0 H MET A 75 -8.927 -8.973 5.562 1.00 0.00 H new ATOM 0 HA MET A 75 -7.291 -8.639 3.201 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.947 -6.923 4.482 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.442 -6.497 5.271 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.188 -5.172 3.419 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.493 -6.643 2.767 1.00 0.00 H new ATOM 0 HE1 MET A 75 -10.334 -7.625 1.021 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.966 -8.499 1.752 1.00 0.00 H new ATOM 0 HE3 MET A 75 -10.122 -7.629 2.788 1.00 0.00 H new ATOM 1244 N VAL A 76 -5.937 -8.636 6.243 1.00 0.00 N ATOM 1245 CA VAL A 76 -4.675 -8.791 6.956 1.00 0.00 C ATOM 1246 C VAL A 76 -3.931 -10.039 6.506 1.00 0.00 C ATOM 1247 O VAL A 76 -2.720 -9.958 6.343 1.00 0.00 O ATOM 1248 CB VAL A 76 -4.862 -8.707 8.486 1.00 0.00 C ATOM 1249 CG1 VAL A 76 -5.572 -9.914 9.098 1.00 0.00 C ATOM 1250 CG2 VAL A 76 -3.510 -8.521 9.190 1.00 0.00 C ATOM 0 H VAL A 76 -6.746 -8.547 6.858 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.038 -7.947 6.692 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.505 -7.841 8.644 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.663 -9.775 10.175 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.565 -10.013 8.660 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.995 -10.816 8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.666 -8.464 10.267 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.861 -9.366 8.961 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.042 -7.600 8.842 1.00 0.00 H new ATOM 1260 N ASP A 77 -4.622 -11.144 6.207 1.00 0.00 N ATOM 1261 CA ASP A 77 -3.982 -12.389 5.768 1.00 0.00 C ATOM 1262 C ASP A 77 -3.083 -12.216 4.538 1.00 0.00 C ATOM 1263 O ASP A 77 -2.174 -13.010 4.285 1.00 0.00 O ATOM 1264 CB ASP A 77 -5.057 -13.407 5.417 1.00 0.00 C ATOM 1265 CG ASP A 77 -4.422 -14.768 5.193 1.00 0.00 C ATOM 1266 OD1 ASP A 77 -4.093 -15.432 6.203 1.00 0.00 O ATOM 1267 OD2 ASP A 77 -4.253 -15.185 4.030 1.00 0.00 O ATOM 0 H ASP A 77 -5.639 -11.201 6.262 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.354 -12.719 6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.791 -13.466 6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.590 -13.092 4.520 1.00 0.00 H new ATOM 1272 N SER A 78 -3.342 -11.183 3.738 1.00 0.00 N ATOM 1273 CA SER A 78 -2.590 -10.852 2.544 1.00 0.00 C ATOM 1274 C SER A 78 -1.172 -10.382 2.916 1.00 0.00 C ATOM 1275 O SER A 78 -0.326 -10.254 2.031 1.00 0.00 O ATOM 1276 CB SER A 78 -3.401 -9.775 1.808 1.00 0.00 C ATOM 1277 OG SER A 78 -2.913 -9.444 0.526 1.00 0.00 O ATOM 0 H SER A 78 -4.110 -10.535 3.916 1.00 0.00 H new ATOM 0 HA SER A 78 -2.450 -11.715 1.893 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.432 -10.117 1.713 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.420 -8.873 2.419 1.00 0.00 H new ATOM 0 HG SER A 78 -1.945 -9.596 0.495 1.00 0.00 H new ATOM 1283 N CYS A 79 -0.869 -10.150 4.200 1.00 0.00 N ATOM 1284 CA CYS A 79 0.415 -9.681 4.681 1.00 0.00 C ATOM 1285 C CYS A 79 1.548 -10.675 4.527 1.00 0.00 C ATOM 1286 O CYS A 79 2.681 -10.295 4.835 1.00 0.00 O ATOM 1287 CB CYS A 79 0.320 -9.261 6.152 1.00 0.00 C ATOM 1288 SG CYS A 79 0.124 -10.720 7.236 1.00 0.00 S ATOM 0 H CYS A 79 -1.544 -10.292 4.951 1.00 0.00 H new ATOM 0 HA CYS A 79 0.657 -8.829 4.046 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.217 -8.710 6.436 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.525 -8.586 6.288 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.136 -11.025 7.330 1.00 0.00 H new ATOM 1294 N GLN A 80 1.286 -11.911 4.095 1.00 0.00 N ATOM 1295 CA GLN A 80 2.321 -12.926 3.923 1.00 0.00 C ATOM 1296 C GLN A 80 3.236 -12.632 2.709 1.00 0.00 C ATOM 1297 O GLN A 80 3.420 -13.470 1.826 1.00 0.00 O ATOM 1298 CB GLN A 80 1.692 -14.333 3.931 1.00 0.00 C ATOM 1299 CG GLN A 80 0.608 -14.543 2.867 1.00 0.00 C ATOM 1300 CD GLN A 80 -0.047 -15.919 2.972 1.00 0.00 C ATOM 1301 OE1 GLN A 80 -0.500 -16.329 4.040 1.00 0.00 O ATOM 1302 NE2 GLN A 80 -0.137 -16.662 1.885 1.00 0.00 N ATOM 0 H GLN A 80 0.349 -12.234 3.855 1.00 0.00 H new ATOM 0 HA GLN A 80 2.999 -12.890 4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.480 -15.072 3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.261 -14.521 4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.154 -13.771 2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.047 -14.426 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.239 -16.320 1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.583 -17.578 1.929 1.00 0.00 H new ATOM 1311 N THR A 81 3.794 -11.426 2.635 1.00 0.00 N ATOM 1312 CA THR A 81 4.686 -10.931 1.607 1.00 0.00 C ATOM 1313 C THR A 81 5.860 -10.265 2.346 1.00 0.00 C ATOM 1314 O THR A 81 6.731 -10.991 2.841 1.00 0.00 O ATOM 1315 CB THR A 81 3.906 -10.109 0.548 1.00 0.00 C ATOM 1316 OG1 THR A 81 4.782 -9.410 -0.316 1.00 0.00 O ATOM 1317 CG2 THR A 81 2.896 -9.120 1.139 1.00 0.00 C ATOM 0 H THR A 81 3.616 -10.721 3.350 1.00 0.00 H new ATOM 0 HA THR A 81 5.128 -11.703 0.977 1.00 0.00 H new ATOM 0 HB THR A 81 3.340 -10.854 -0.012 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.259 -8.904 -0.972 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.394 -8.586 0.332 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.158 -9.663 1.729 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.417 -8.406 1.777 1.00 0.00 H new ATOM 1325 N ALA A 82 5.893 -8.937 2.510 1.00 0.00 N ATOM 1326 CA ALA A 82 6.980 -8.221 3.182 1.00 0.00 C ATOM 1327 C ALA A 82 6.517 -6.861 3.739 1.00 0.00 C ATOM 1328 O ALA A 82 7.199 -5.852 3.533 1.00 0.00 O ATOM 1329 CB ALA A 82 8.154 -8.082 2.197 1.00 0.00 C ATOM 0 H ALA A 82 5.153 -8.321 2.174 1.00 0.00 H new ATOM 0 HA ALA A 82 7.309 -8.791 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.974 -7.551 2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.493 -9.072 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.828 -7.524 1.319 1.00 0.00 H new ATOM 1335 N LEU A 83 5.325 -6.801 4.343 1.00 0.00 N ATOM 1336 CA LEU A 83 4.729 -5.597 4.936 1.00 0.00 C ATOM 1337 C LEU A 83 4.020 -5.941 6.250 1.00 0.00 C ATOM 1338 O LEU A 83 3.764 -7.114 6.537 1.00 0.00 O ATOM 1339 CB LEU A 83 3.803 -4.862 3.937 1.00 0.00 C ATOM 1340 CG LEU A 83 2.858 -5.746 3.105 1.00 0.00 C ATOM 1341 CD1 LEU A 83 1.692 -6.314 3.915 1.00 0.00 C ATOM 1342 CD2 LEU A 83 2.312 -4.969 1.915 1.00 0.00 C ATOM 0 H LEU A 83 4.725 -7.621 4.436 1.00 0.00 H new ATOM 0 HA LEU A 83 5.532 -4.899 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.199 -4.146 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.427 -4.288 3.251 1.00 0.00 H new ATOM 0 HG LEU A 83 3.457 -6.590 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.065 -6.928 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.079 -6.925 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.100 -5.495 4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.645 -5.609 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.761 -4.098 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.138 -4.642 1.284 1.00 0.00 H new ATOM 1354 N SER A 84 3.710 -4.920 7.043 1.00 0.00 N ATOM 1355 CA SER A 84 3.043 -4.999 8.336 1.00 0.00 C ATOM 1356 C SER A 84 1.510 -4.941 8.170 1.00 0.00 C ATOM 1357 O SER A 84 1.024 -4.585 7.088 1.00 0.00 O ATOM 1358 CB SER A 84 3.597 -3.822 9.157 1.00 0.00 C ATOM 1359 OG SER A 84 3.451 -2.596 8.462 1.00 0.00 O ATOM 0 H SER A 84 3.931 -3.959 6.784 1.00 0.00 H new ATOM 0 HA SER A 84 3.237 -5.944 8.844 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.076 -3.765 10.113 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.650 -3.994 9.378 1.00 0.00 H new ATOM 0 HG SER A 84 3.810 -1.866 9.008 1.00 0.00 H new ATOM 1365 N PRO A 85 0.713 -5.234 9.219 1.00 0.00 N ATOM 1366 CA PRO A 85 -0.746 -5.187 9.114 1.00 0.00 C ATOM 1367 C PRO A 85 -1.267 -3.750 8.957 1.00 0.00 C ATOM 1368 O PRO A 85 -2.364 -3.548 8.428 1.00 0.00 O ATOM 1369 CB PRO A 85 -1.265 -5.847 10.398 1.00 0.00 C ATOM 1370 CG PRO A 85 -0.152 -5.608 11.412 1.00 0.00 C ATOM 1371 CD PRO A 85 1.112 -5.662 10.556 1.00 0.00 C ATOM 0 HA PRO A 85 -1.099 -5.709 8.224 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.205 -5.401 10.724 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -1.451 -6.911 10.253 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.261 -4.645 11.911 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.145 -6.371 12.190 1.00 0.00 H new ATOM 0 HD2 PRO A 85 1.885 -5.008 10.960 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.526 -6.670 10.535 1.00 0.00 H new ATOM 1379 N GLY A 86 -0.481 -2.756 9.385 1.00 0.00 N ATOM 1380 CA GLY A 86 -0.832 -1.350 9.309 1.00 0.00 C ATOM 1381 C GLY A 86 -1.001 -0.891 7.869 1.00 0.00 C ATOM 1382 O GLY A 86 -1.966 -0.199 7.570 1.00 0.00 O ATOM 0 H GLY A 86 0.435 -2.920 9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.757 -1.175 9.858 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.058 -0.755 9.793 1.00 0.00 H new ATOM 1386 N GLU A 87 -0.104 -1.286 6.960 1.00 0.00 N ATOM 1387 CA GLU A 87 -0.179 -0.890 5.550 1.00 0.00 C ATOM 1388 C GLU A 87 -1.484 -1.390 4.908 1.00 0.00 C ATOM 1389 O GLU A 87 -2.056 -0.740 4.021 1.00 0.00 O ATOM 1390 CB GLU A 87 1.060 -1.413 4.806 1.00 0.00 C ATOM 1391 CG GLU A 87 2.375 -0.791 5.314 1.00 0.00 C ATOM 1392 CD GLU A 87 2.431 0.727 5.107 1.00 0.00 C ATOM 1393 OE1 GLU A 87 2.823 1.159 3.994 1.00 0.00 O ATOM 1394 OE2 GLU A 87 2.057 1.475 6.041 1.00 0.00 O ATOM 0 H GLU A 87 0.691 -1.886 7.179 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.189 0.198 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.111 -2.496 4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.953 -1.204 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.491 -1.013 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.215 -1.255 4.797 1.00 0.00 H new ATOM 1401 N MET A 88 -1.964 -2.546 5.367 1.00 0.00 N ATOM 1402 CA MET A 88 -3.197 -3.147 4.893 1.00 0.00 C ATOM 1403 C MET A 88 -4.347 -2.218 5.283 1.00 0.00 C ATOM 1404 O MET A 88 -5.099 -1.766 4.422 1.00 0.00 O ATOM 1405 CB MET A 88 -3.369 -4.544 5.513 1.00 0.00 C ATOM 1406 CG MET A 88 -4.157 -5.478 4.597 1.00 0.00 C ATOM 1407 SD MET A 88 -3.271 -6.062 3.124 1.00 0.00 S ATOM 1408 CE MET A 88 -1.903 -6.974 3.901 1.00 0.00 C ATOM 0 H MET A 88 -1.496 -3.094 6.089 1.00 0.00 H new ATOM 0 HA MET A 88 -3.181 -3.272 3.810 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.389 -4.975 5.715 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.882 -4.456 6.471 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.473 -6.345 5.177 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.062 -4.963 4.275 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.400 -7.584 3.151 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.193 -6.268 4.331 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.296 -7.618 4.688 1.00 0.00 H new ATOM 1418 N GLU A 89 -4.442 -1.898 6.576 1.00 0.00 N ATOM 1419 CA GLU A 89 -5.465 -1.039 7.163 1.00 0.00 C ATOM 1420 C GLU A 89 -5.447 0.344 6.527 1.00 0.00 C ATOM 1421 O GLU A 89 -6.502 0.889 6.216 1.00 0.00 O ATOM 1422 CB GLU A 89 -5.250 -0.999 8.673 1.00 0.00 C ATOM 1423 CG GLU A 89 -6.495 -0.524 9.439 1.00 0.00 C ATOM 1424 CD GLU A 89 -6.500 -1.015 10.893 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -5.487 -0.840 11.613 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -7.488 -1.660 11.323 1.00 0.00 O ATOM 0 H GLU A 89 -3.779 -2.247 7.268 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.459 -1.442 6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.971 -1.993 9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.415 -0.336 8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.536 0.565 9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.391 -0.883 8.932 1.00 0.00 H new ATOM 1433 N LYS A 90 -4.252 0.901 6.303 1.00 0.00 N ATOM 1434 CA LYS A 90 -4.060 2.191 5.659 1.00 0.00 C ATOM 1435 C LYS A 90 -4.770 2.148 4.300 1.00 0.00 C ATOM 1436 O LYS A 90 -5.454 3.082 3.897 1.00 0.00 O ATOM 1437 CB LYS A 90 -2.544 2.407 5.466 1.00 0.00 C ATOM 1438 CG LYS A 90 -1.751 2.750 6.745 1.00 0.00 C ATOM 1439 CD LYS A 90 -1.579 4.248 7.001 1.00 0.00 C ATOM 1440 CE LYS A 90 -0.718 4.913 5.920 1.00 0.00 C ATOM 1441 NZ LYS A 90 -1.194 6.272 5.607 1.00 0.00 N ATOM 0 H LYS A 90 -3.377 0.452 6.573 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.467 3.006 6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.119 1.504 5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.399 3.210 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.256 2.303 7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.765 2.290 6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.558 4.727 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.119 4.400 7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.318 4.958 6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.734 4.304 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.934 6.514 4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.228 6.310 5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.756 6.952 6.260 1.00 0.00 H new ATOM 1455 N HIS A 91 -4.648 1.026 3.581 1.00 0.00 N ATOM 1456 CA HIS A 91 -5.271 0.925 2.272 1.00 0.00 C ATOM 1457 C HIS A 91 -6.788 0.854 2.356 1.00 0.00 C ATOM 1458 O HIS A 91 -7.483 1.347 1.469 1.00 0.00 O ATOM 1459 CB HIS A 91 -4.701 -0.274 1.526 1.00 0.00 C ATOM 1460 CG HIS A 91 -4.257 0.089 0.140 1.00 0.00 C ATOM 1461 ND1 HIS A 91 -2.979 0.450 -0.228 1.00 0.00 N ATOM 1462 CD2 HIS A 91 -5.059 0.163 -0.964 1.00 0.00 C ATOM 1463 CE1 HIS A 91 -3.006 0.716 -1.543 1.00 0.00 C ATOM 1464 NE2 HIS A 91 -4.242 0.533 -2.037 1.00 0.00 N ATOM 0 H HIS A 91 -4.135 0.197 3.881 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.040 1.834 1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -3.857 -0.680 2.083 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.455 -1.060 1.472 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -2.165 0.505 0.384 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.121 -0.028 -1.001 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.152 1.033 -2.124 1.00 0.00 H new ATOM 1472 N LEU A 92 -7.301 0.217 3.407 1.00 0.00 N ATOM 1473 CA LEU A 92 -8.729 0.082 3.614 1.00 0.00 C ATOM 1474 C LEU A 92 -9.363 1.459 3.746 1.00 0.00 C ATOM 1475 O LEU A 92 -10.335 1.745 3.033 1.00 0.00 O ATOM 1476 CB LEU A 92 -9.019 -0.794 4.843 1.00 0.00 C ATOM 1477 CG LEU A 92 -8.555 -2.249 4.690 1.00 0.00 C ATOM 1478 CD1 LEU A 92 -9.005 -3.056 5.901 1.00 0.00 C ATOM 1479 CD2 LEU A 92 -9.069 -2.881 3.395 1.00 0.00 C ATOM 0 H LEU A 92 -6.733 -0.217 4.135 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.170 -0.415 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.530 -0.356 5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.091 -0.783 5.041 1.00 0.00 H new ATOM 0 HG LEU A 92 -7.466 -2.255 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.676 -4.089 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.570 -2.629 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.092 -3.028 5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.717 -3.910 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.159 -2.869 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.698 -2.314 2.541 1.00 0.00 H new ATOM 1491 N VAL A 93 -8.806 2.289 4.630 1.00 0.00 N ATOM 1492 CA VAL A 93 -9.302 3.629 4.869 1.00 0.00 C ATOM 1493 C VAL A 93 -9.102 4.504 3.630 1.00 0.00 C ATOM 1494 O VAL A 93 -10.052 5.186 3.252 1.00 0.00 O ATOM 1495 CB VAL A 93 -8.721 4.190 6.186 1.00 0.00 C ATOM 1496 CG1 VAL A 93 -7.192 4.313 6.225 1.00 0.00 C ATOM 1497 CG2 VAL A 93 -9.347 5.540 6.548 1.00 0.00 C ATOM 0 H VAL A 93 -7.996 2.042 5.198 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.381 3.616 5.024 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.987 3.438 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.884 4.716 7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.744 3.330 6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.860 4.981 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.914 5.904 7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.150 6.258 5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.424 5.421 6.670 1.00 0.00 H new ATOM 1507 N LEU A 94 -7.949 4.448 2.940 1.00 0.00 N ATOM 1508 CA LEU A 94 -7.723 5.282 1.755 1.00 0.00 C ATOM 1509 C LEU A 94 -8.817 5.087 0.712 1.00 0.00 C ATOM 1510 O LEU A 94 -9.320 6.071 0.174 1.00 0.00 O ATOM 1511 CB LEU A 94 -6.303 5.109 1.161 1.00 0.00 C ATOM 1512 CG LEU A 94 -6.128 4.255 -0.114 1.00 0.00 C ATOM 1513 CD1 LEU A 94 -6.487 4.981 -1.427 1.00 0.00 C ATOM 1514 CD2 LEU A 94 -4.646 3.876 -0.260 1.00 0.00 C ATOM 0 H LEU A 94 -7.168 3.838 3.183 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.780 6.318 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.911 6.104 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.671 4.677 1.937 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.802 3.408 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.334 4.306 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.531 5.293 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.850 5.858 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.512 3.273 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.045 4.782 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.329 3.304 0.612 1.00 0.00 H new ATOM 1526 N LEU A 95 -9.173 3.831 0.430 1.00 0.00 N ATOM 1527 CA LEU A 95 -10.182 3.451 -0.542 1.00 0.00 C ATOM 1528 C LEU A 95 -11.495 4.083 -0.149 1.00 0.00 C ATOM 1529 O LEU A 95 -12.082 4.820 -0.936 1.00 0.00 O ATOM 1530 CB LEU A 95 -10.350 1.920 -0.579 1.00 0.00 C ATOM 1531 CG LEU A 95 -9.294 1.174 -1.413 1.00 0.00 C ATOM 1532 CD1 LEU A 95 -9.254 -0.312 -1.038 1.00 0.00 C ATOM 1533 CD2 LEU A 95 -9.646 1.292 -2.899 1.00 0.00 C ATOM 0 H LEU A 95 -8.747 3.028 0.893 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.872 3.792 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.320 1.541 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -11.338 1.687 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.320 1.620 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.500 -0.819 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.004 -0.414 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.230 -0.761 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.900 0.764 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.628 0.853 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.662 2.343 -3.187 1.00 0.00 H new ATOM 1545 N ALA A 96 -11.956 3.775 1.062 1.00 0.00 N ATOM 1546 CA ALA A 96 -13.209 4.284 1.576 1.00 0.00 C ATOM 1547 C ALA A 96 -13.262 5.811 1.575 1.00 0.00 C ATOM 1548 O ALA A 96 -14.334 6.378 1.353 1.00 0.00 O ATOM 1549 CB ALA A 96 -13.392 3.721 2.979 1.00 0.00 C ATOM 0 H ALA A 96 -11.462 3.162 1.711 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.025 3.965 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.330 4.086 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.414 2.632 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.564 4.042 3.611 1.00 0.00 H new ATOM 1555 N GLU A 97 -12.122 6.487 1.751 1.00 0.00 N ATOM 1556 CA GLU A 97 -12.066 7.945 1.790 1.00 0.00 C ATOM 1557 C GLU A 97 -12.460 8.595 0.460 1.00 0.00 C ATOM 1558 O GLU A 97 -12.886 9.750 0.456 1.00 0.00 O ATOM 1559 CB GLU A 97 -10.678 8.389 2.270 1.00 0.00 C ATOM 1560 CG GLU A 97 -10.635 9.828 2.804 1.00 0.00 C ATOM 1561 CD GLU A 97 -11.668 10.081 3.902 1.00 0.00 C ATOM 1562 OE1 GLU A 97 -11.729 9.318 4.889 1.00 0.00 O ATOM 1563 OE2 GLU A 97 -12.435 11.068 3.804 1.00 0.00 O ATOM 0 H GLU A 97 -11.215 6.036 1.870 1.00 0.00 H new ATOM 0 HA GLU A 97 -12.812 8.295 2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.341 7.711 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.972 8.297 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.639 10.037 3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.808 10.522 1.981 1.00 0.00 H new ATOM 1570 N LEU A 98 -12.336 7.888 -0.668 1.00 0.00 N ATOM 1571 CA LEU A 98 -12.719 8.408 -1.994 1.00 0.00 C ATOM 1572 C LEU A 98 -13.808 7.555 -2.644 1.00 0.00 C ATOM 1573 O LEU A 98 -14.357 7.921 -3.684 1.00 0.00 O ATOM 1574 CB LEU A 98 -11.547 8.584 -2.969 1.00 0.00 C ATOM 1575 CG LEU A 98 -10.325 7.671 -2.803 1.00 0.00 C ATOM 1576 CD1 LEU A 98 -9.677 7.436 -4.159 1.00 0.00 C ATOM 1577 CD2 LEU A 98 -9.287 8.348 -1.914 1.00 0.00 C ATOM 0 H LEU A 98 -11.967 6.937 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.109 9.406 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.931 8.447 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.204 9.616 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.655 6.731 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.809 6.787 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.395 6.962 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.362 8.390 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.423 7.694 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.974 9.287 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.722 8.548 -0.934 1.00 0.00 H new ATOM 1589 N LEU A 99 -14.171 6.442 -2.015 1.00 0.00 N ATOM 1590 CA LEU A 99 -15.178 5.506 -2.505 1.00 0.00 C ATOM 1591 C LEU A 99 -16.368 5.356 -1.540 1.00 0.00 C ATOM 1592 O LEU A 99 -16.694 4.228 -1.153 1.00 0.00 O ATOM 1593 CB LEU A 99 -14.479 4.174 -2.848 1.00 0.00 C ATOM 1594 CG LEU A 99 -13.352 4.312 -3.893 1.00 0.00 C ATOM 1595 CD1 LEU A 99 -12.511 3.041 -4.018 1.00 0.00 C ATOM 1596 CD2 LEU A 99 -13.960 4.607 -5.263 1.00 0.00 C ATOM 0 H LEU A 99 -13.761 6.158 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.633 5.899 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.065 3.747 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.223 3.470 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.707 5.124 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.733 3.192 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.051 2.813 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.149 2.211 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.164 4.704 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.623 3.791 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.528 5.536 -5.217 1.00 0.00 H new ATOM 1608 N PRO A 100 -17.075 6.449 -1.177 1.00 0.00 N ATOM 1609 CA PRO A 100 -18.219 6.389 -0.272 1.00 0.00 C ATOM 1610 C PRO A 100 -19.462 5.763 -0.917 1.00 0.00 C ATOM 1611 O PRO A 100 -20.428 5.477 -0.210 1.00 0.00 O ATOM 1612 CB PRO A 100 -18.486 7.842 0.138 1.00 0.00 C ATOM 1613 CG PRO A 100 -18.049 8.629 -1.092 1.00 0.00 C ATOM 1614 CD PRO A 100 -16.828 7.837 -1.553 1.00 0.00 C ATOM 0 HA PRO A 100 -17.997 5.748 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -19.537 8.009 0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -17.914 8.124 1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.827 8.661 -1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -17.798 9.662 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.689 7.929 -2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.920 8.212 -1.081 1.00 0.00 H new ATOM 1622 N ASP A 101 -19.471 5.578 -2.240 1.00 0.00 N ATOM 1623 CA ASP A 101 -20.583 4.987 -2.989 1.00 0.00 C ATOM 1624 C ASP A 101 -20.274 3.541 -3.380 1.00 0.00 C ATOM 1625 O ASP A 101 -21.102 2.858 -3.977 1.00 0.00 O ATOM 1626 CB ASP A 101 -20.879 5.844 -4.226 1.00 0.00 C ATOM 1627 CG ASP A 101 -22.075 5.327 -5.030 1.00 0.00 C ATOM 1628 OD1 ASP A 101 -23.189 5.271 -4.463 1.00 0.00 O ATOM 1629 OD2 ASP A 101 -21.896 5.022 -6.237 1.00 0.00 O ATOM 0 H ASP A 101 -18.685 5.842 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 101 -21.468 4.968 -2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -21.072 6.870 -3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.998 5.866 -4.867 1.00 0.00 H new ATOM 1634 N TRP A 102 -19.052 3.068 -3.119 1.00 0.00 N ATOM 1635 CA TRP A 102 -18.656 1.710 -3.435 1.00 0.00 C ATOM 1636 C TRP A 102 -18.690 0.913 -2.143 1.00 0.00 C ATOM 1637 O TRP A 102 -19.333 -0.137 -2.096 1.00 0.00 O ATOM 1638 CB TRP A 102 -17.270 1.688 -4.081 1.00 0.00 C ATOM 1639 CG TRP A 102 -16.848 0.403 -4.714 1.00 0.00 C ATOM 1640 CD1 TRP A 102 -17.630 -0.403 -5.459 1.00 0.00 C ATOM 1641 CD2 TRP A 102 -15.542 -0.240 -4.676 1.00 0.00 C ATOM 1642 NE1 TRP A 102 -16.892 -1.470 -5.926 1.00 0.00 N ATOM 1643 CE2 TRP A 102 -15.576 -1.395 -5.510 1.00 0.00 C ATOM 1644 CE3 TRP A 102 -14.343 0.019 -3.985 1.00 0.00 C ATOM 1645 CZ2 TRP A 102 -14.441 -2.202 -5.706 1.00 0.00 C ATOM 1646 CZ3 TRP A 102 -13.208 -0.790 -4.157 1.00 0.00 C ATOM 1647 CH2 TRP A 102 -13.244 -1.882 -5.042 1.00 0.00 C ATOM 0 H TRP A 102 -18.316 3.623 -2.683 1.00 0.00 H new ATOM 0 HA TRP A 102 -19.339 1.265 -4.158 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -17.236 2.469 -4.840 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -16.535 1.950 -3.320 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -18.678 -0.238 -5.660 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.270 -2.220 -6.505 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.295 0.859 -3.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -14.489 -3.060 -6.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -12.304 -0.573 -3.607 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -12.356 -2.473 -5.211 1.00 0.00 H new ATOM 1658 N LEU A 103 -17.962 1.391 -1.126 1.00 0.00 N ATOM 1659 CA LEU A 103 -17.880 0.780 0.186 1.00 0.00 C ATOM 1660 C LEU A 103 -18.920 1.431 1.093 1.00 0.00 C ATOM 1661 O LEU A 103 -19.213 2.625 0.957 1.00 0.00 O ATOM 1662 CB LEU A 103 -16.492 1.046 0.808 1.00 0.00 C ATOM 1663 CG LEU A 103 -16.138 0.099 1.959 1.00 0.00 C ATOM 1664 CD1 LEU A 103 -15.822 -1.317 1.474 1.00 0.00 C ATOM 1665 CD2 LEU A 103 -14.883 0.645 2.619 1.00 0.00 C ATOM 0 H LEU A 103 -17.401 2.239 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 103 -18.049 -0.292 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -15.733 0.958 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -16.458 2.073 1.171 1.00 0.00 H new ATOM 0 HG LEU A 103 -16.992 0.044 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -15.578 -1.948 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -16.690 -1.727 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.973 -1.287 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -14.596 -0.003 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.074 0.681 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -15.077 1.650 2.995 1.00 0.00 H new ATOM 1677 N SER A 104 -19.456 0.654 2.024 1.00 0.00 N ATOM 1678 CA SER A 104 -20.420 1.110 3.004 1.00 0.00 C ATOM 1679 C SER A 104 -20.234 0.315 4.291 1.00 0.00 C ATOM 1680 O SER A 104 -19.524 -0.694 4.305 1.00 0.00 O ATOM 1681 CB SER A 104 -21.854 1.025 2.491 1.00 0.00 C ATOM 1682 OG SER A 104 -22.660 1.885 3.270 1.00 0.00 O ATOM 0 H SER A 104 -19.224 -0.335 2.117 1.00 0.00 H new ATOM 0 HA SER A 104 -20.239 2.166 3.204 1.00 0.00 H new ATOM 0 HB2 SER A 104 -21.898 1.313 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 104 -22.220 0.000 2.557 1.00 0.00 H new ATOM 0 HG SER A 104 -23.586 1.843 2.951 1.00 0.00 H new ATOM 1688 N LEU A 105 -20.866 0.788 5.363 1.00 0.00 N ATOM 1689 CA LEU A 105 -20.869 0.236 6.705 1.00 0.00 C ATOM 1690 C LEU A 105 -22.310 0.176 7.176 1.00 0.00 C ATOM 1691 O LEU A 105 -23.075 1.123 6.980 1.00 0.00 O ATOM 1692 CB LEU A 105 -20.060 1.126 7.658 1.00 0.00 C ATOM 1693 CG LEU A 105 -18.545 1.000 7.452 1.00 0.00 C ATOM 1694 CD1 LEU A 105 -17.829 2.177 8.114 1.00 0.00 C ATOM 1695 CD2 LEU A 105 -18.016 -0.307 8.046 1.00 0.00 C ATOM 0 H LEU A 105 -21.432 1.634 5.305 1.00 0.00 H new ATOM 0 HA LEU A 105 -20.416 -0.755 6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -20.356 2.165 7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -20.305 0.864 8.687 1.00 0.00 H new ATOM 0 HG LEU A 105 -18.350 1.002 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.754 2.080 7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -18.175 3.110 7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -18.047 2.181 9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.940 -0.370 7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -18.226 -0.332 9.115 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -18.505 -1.152 7.561 1.00 0.00 H new ATOM 1707 N HIS A 106 -22.675 -0.916 7.831 1.00 0.00 N ATOM 1708 CA HIS A 106 -23.991 -1.190 8.360 1.00 0.00 C ATOM 1709 C HIS A 106 -23.755 -1.751 9.758 1.00 0.00 C ATOM 1710 O HIS A 106 -23.308 -2.886 9.941 1.00 0.00 O ATOM 1711 CB HIS A 106 -24.761 -2.180 7.468 1.00 0.00 C ATOM 1712 CG HIS A 106 -25.375 -1.635 6.189 1.00 0.00 C ATOM 1713 ND1 HIS A 106 -26.689 -1.833 5.817 1.00 0.00 N ATOM 1714 CD2 HIS A 106 -24.760 -0.982 5.146 1.00 0.00 C ATOM 1715 CE1 HIS A 106 -26.857 -1.333 4.582 1.00 0.00 C ATOM 1716 NE2 HIS A 106 -25.720 -0.770 4.149 1.00 0.00 N ATOM 0 H HIS A 106 -22.018 -1.675 8.015 1.00 0.00 H new ATOM 0 HA HIS A 106 -24.609 -0.293 8.392 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -24.082 -2.989 7.198 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -25.560 -2.620 8.065 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -23.722 -0.686 5.104 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -27.777 -1.378 4.018 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -25.581 -0.282 3.264 1.00 0.00 H new ATOM 1724 N ARG A 107 -23.959 -0.904 10.759 1.00 0.00 N ATOM 1725 CA ARG A 107 -23.818 -1.231 12.168 1.00 0.00 C ATOM 1726 C ARG A 107 -25.135 -1.889 12.566 1.00 0.00 C ATOM 1727 O ARG A 107 -26.199 -1.303 12.321 1.00 0.00 O ATOM 1728 CB ARG A 107 -23.540 0.068 12.945 1.00 0.00 C ATOM 1729 CG ARG A 107 -22.741 -0.141 14.237 1.00 0.00 C ATOM 1730 CD ARG A 107 -23.380 -1.052 15.289 1.00 0.00 C ATOM 1731 NE ARG A 107 -24.744 -0.622 15.650 1.00 0.00 N ATOM 1732 CZ ARG A 107 -25.413 -0.995 16.745 1.00 0.00 C ATOM 1733 NH1 ARG A 107 -24.925 -1.913 17.571 1.00 0.00 N ATOM 1734 NH2 ARG A 107 -26.581 -0.418 16.982 1.00 0.00 N ATOM 0 H ARG A 107 -24.237 0.065 10.604 1.00 0.00 H new ATOM 0 HA ARG A 107 -22.991 -1.907 12.384 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -22.995 0.757 12.299 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -24.490 0.544 13.189 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -21.767 -0.553 13.974 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -22.563 0.834 14.691 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -23.412 -2.074 14.910 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -22.757 -1.063 16.183 1.00 0.00 H new ATOM 0 HE ARG A 107 -25.217 0.015 15.009 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -24.023 -2.348 17.375 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -25.452 -2.183 18.402 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -26.942 0.286 16.338 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -27.120 -0.678 17.808 1.00 0.00 H new ATOM 1748 N ILE A 108 -25.088 -3.088 13.136 1.00 0.00 N ATOM 1749 CA ILE A 108 -26.248 -3.860 13.566 1.00 0.00 C ATOM 1750 C ILE A 108 -26.039 -4.169 15.044 1.00 0.00 C ATOM 1751 O ILE A 108 -24.910 -4.307 15.506 1.00 0.00 O ATOM 1752 CB ILE A 108 -26.367 -5.180 12.755 1.00 0.00 C ATOM 1753 CG1 ILE A 108 -25.964 -5.101 11.265 1.00 0.00 C ATOM 1754 CG2 ILE A 108 -27.771 -5.800 12.892 1.00 0.00 C ATOM 1755 CD1 ILE A 108 -26.863 -4.238 10.371 1.00 0.00 C ATOM 0 H ILE A 108 -24.206 -3.567 13.318 1.00 0.00 H new ATOM 0 HA ILE A 108 -27.168 -3.298 13.402 1.00 0.00 H new ATOM 0 HB ILE A 108 -25.621 -5.828 13.214 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -24.946 -4.715 11.204 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -25.946 -6.113 10.860 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -27.820 -6.722 12.312 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -27.971 -6.020 13.941 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -28.517 -5.098 12.520 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -26.485 -4.256 9.349 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -27.879 -4.631 10.389 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -26.865 -3.212 10.739 1.00 0.00 H new ATOM 1767 N ARG A 109 -27.123 -4.371 15.795 1.00 0.00 N ATOM 1768 CA ARG A 109 -27.043 -4.685 17.221 1.00 0.00 C ATOM 1769 C ARG A 109 -26.365 -6.022 17.551 1.00 0.00 C ATOM 1770 O ARG A 109 -26.302 -6.380 18.724 1.00 0.00 O ATOM 1771 CB ARG A 109 -28.430 -4.582 17.854 1.00 0.00 C ATOM 1772 CG ARG A 109 -29.409 -5.675 17.399 1.00 0.00 C ATOM 1773 CD ARG A 109 -30.603 -5.799 18.354 1.00 0.00 C ATOM 1774 NE ARG A 109 -31.588 -4.717 18.183 1.00 0.00 N ATOM 1775 CZ ARG A 109 -31.517 -3.473 18.677 1.00 0.00 C ATOM 1776 NH1 ARG A 109 -30.647 -3.134 19.627 1.00 0.00 N ATOM 1777 NH2 ARG A 109 -32.324 -2.549 18.170 1.00 0.00 N ATOM 0 H ARG A 109 -28.076 -4.322 15.434 1.00 0.00 H new ATOM 0 HA ARG A 109 -26.382 -3.938 17.660 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -28.327 -4.629 18.938 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -28.855 -3.607 17.616 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -29.768 -5.448 16.395 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -28.887 -6.630 17.342 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -31.093 -6.759 18.192 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -30.241 -5.795 19.382 1.00 0.00 H new ATOM 0 HE ARG A 109 -32.415 -4.939 17.628 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -30.005 -3.832 20.003 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -30.623 -2.177 19.978 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -32.976 -2.794 17.425 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -32.293 -1.594 18.526 1.00 0.00 H new ATOM 1791 N THR A 110 -25.961 -6.790 16.544 1.00 0.00 N ATOM 1792 CA THR A 110 -25.292 -8.068 16.705 1.00 0.00 C ATOM 1793 C THR A 110 -23.809 -7.947 16.342 1.00 0.00 C ATOM 1794 O THR A 110 -23.032 -8.732 16.878 1.00 0.00 O ATOM 1795 CB THR A 110 -26.044 -9.139 15.889 1.00 0.00 C ATOM 1796 OG1 THR A 110 -25.805 -10.443 16.383 1.00 0.00 O ATOM 1797 CG2 THR A 110 -25.780 -9.109 14.381 1.00 0.00 C ATOM 0 H THR A 110 -26.096 -6.529 15.567 1.00 0.00 H new ATOM 0 HA THR A 110 -25.316 -8.383 17.748 1.00 0.00 H new ATOM 0 HB THR A 110 -27.093 -8.876 16.024 1.00 0.00 H new ATOM 0 HG1 THR A 110 -26.299 -11.094 15.842 1.00 0.00 H new ATOM 0 HG21 THR A 110 -26.353 -9.899 13.896 1.00 0.00 H new ATOM 0 HG22 THR A 110 -26.081 -8.142 13.978 1.00 0.00 H new ATOM 0 HG23 THR A 110 -24.717 -9.265 14.194 1.00 0.00 H new ATOM 1805 N ASP A 111 -23.420 -7.018 15.454 1.00 0.00 N ATOM 1806 CA ASP A 111 -22.049 -6.779 14.987 1.00 0.00 C ATOM 1807 C ASP A 111 -22.092 -5.700 13.896 1.00 0.00 C ATOM 1808 O ASP A 111 -23.167 -5.240 13.501 1.00 0.00 O ATOM 1809 CB ASP A 111 -21.379 -8.052 14.406 1.00 0.00 C ATOM 1810 CG ASP A 111 -19.900 -8.139 14.794 1.00 0.00 C ATOM 1811 OD1 ASP A 111 -19.166 -7.132 14.661 1.00 0.00 O ATOM 1812 OD2 ASP A 111 -19.438 -9.207 15.261 1.00 0.00 O ATOM 0 H ASP A 111 -24.090 -6.382 15.021 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.456 -6.465 15.846 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -21.903 -8.937 14.768 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -21.471 -8.049 13.320 1.00 0.00 H new ATOM 1817 N THR A 112 -20.933 -5.269 13.417 1.00 0.00 N ATOM 1818 CA THR A 112 -20.774 -4.277 12.366 1.00 0.00 C ATOM 1819 C THR A 112 -20.366 -5.050 11.105 1.00 0.00 C ATOM 1820 O THR A 112 -19.649 -6.051 11.195 1.00 0.00 O ATOM 1821 CB THR A 112 -19.745 -3.222 12.809 1.00 0.00 C ATOM 1822 OG1 THR A 112 -20.156 -2.587 14.013 1.00 0.00 O ATOM 1823 CG2 THR A 112 -19.586 -2.128 11.751 1.00 0.00 C ATOM 0 H THR A 112 -20.040 -5.617 13.766 1.00 0.00 H new ATOM 0 HA THR A 112 -21.689 -3.722 12.157 1.00 0.00 H new ATOM 0 HB THR A 112 -18.802 -3.748 12.955 1.00 0.00 H new ATOM 0 HG1 THR A 112 -19.487 -1.922 14.277 1.00 0.00 H new ATOM 0 HG21 THR A 112 -18.853 -1.397 12.091 1.00 0.00 H new ATOM 0 HG22 THR A 112 -19.247 -2.573 10.815 1.00 0.00 H new ATOM 0 HG23 THR A 112 -20.544 -1.634 11.592 1.00 0.00 H new ATOM 1831 N TYR A 113 -20.810 -4.598 9.930 1.00 0.00 N ATOM 1832 CA TYR A 113 -20.525 -5.231 8.649 1.00 0.00 C ATOM 1833 C TYR A 113 -20.270 -4.155 7.590 1.00 0.00 C ATOM 1834 O TYR A 113 -20.718 -3.014 7.745 1.00 0.00 O ATOM 1835 CB TYR A 113 -21.755 -6.045 8.201 1.00 0.00 C ATOM 1836 CG TYR A 113 -22.296 -7.126 9.127 1.00 0.00 C ATOM 1837 CD1 TYR A 113 -22.988 -6.772 10.301 1.00 0.00 C ATOM 1838 CD2 TYR A 113 -22.209 -8.485 8.765 1.00 0.00 C ATOM 1839 CE1 TYR A 113 -23.562 -7.756 11.121 1.00 0.00 C ATOM 1840 CE2 TYR A 113 -22.793 -9.476 9.575 1.00 0.00 C ATOM 1841 CZ TYR A 113 -23.474 -9.116 10.761 1.00 0.00 C ATOM 1842 OH TYR A 113 -24.107 -10.045 11.529 1.00 0.00 O ATOM 0 H TYR A 113 -21.390 -3.763 9.845 1.00 0.00 H new ATOM 0 HA TYR A 113 -19.652 -5.874 8.758 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -22.564 -5.341 8.008 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -21.510 -6.518 7.250 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -23.078 -5.731 10.574 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -21.691 -8.768 7.860 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -24.072 -7.471 12.029 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -22.721 -10.515 9.290 1.00 0.00 H new ATOM 0 HH TYR A 113 -23.956 -10.938 11.154 1.00 0.00 H new ATOM 1852 N VAL A 114 -19.672 -4.537 6.465 1.00 0.00 N ATOM 1853 CA VAL A 114 -19.348 -3.705 5.309 1.00 0.00 C ATOM 1854 C VAL A 114 -20.180 -4.224 4.144 1.00 0.00 C ATOM 1855 O VAL A 114 -20.467 -5.423 4.066 1.00 0.00 O ATOM 1856 CB VAL A 114 -17.833 -3.766 4.966 1.00 0.00 C ATOM 1857 CG1 VAL A 114 -17.470 -3.522 3.493 1.00 0.00 C ATOM 1858 CG2 VAL A 114 -17.027 -2.730 5.757 1.00 0.00 C ATOM 0 H VAL A 114 -19.380 -5.505 6.327 1.00 0.00 H new ATOM 0 HA VAL A 114 -19.575 -2.661 5.523 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.583 -4.794 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.389 -3.588 3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -17.953 -4.274 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -17.810 -2.530 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.973 -2.806 5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -17.390 -1.730 5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -17.143 -2.917 6.825 1.00 0.00 H new ATOM 1868 N LYS A 115 -20.525 -3.338 3.215 1.00 0.00 N ATOM 1869 CA LYS A 115 -21.267 -3.572 1.997 1.00 0.00 C ATOM 1870 C LYS A 115 -20.379 -3.090 0.862 1.00 0.00 C ATOM 1871 O LYS A 115 -19.714 -2.063 1.020 1.00 0.00 O ATOM 1872 CB LYS A 115 -22.550 -2.719 2.025 1.00 0.00 C ATOM 1873 CG LYS A 115 -23.814 -3.562 1.883 1.00 0.00 C ATOM 1874 CD LYS A 115 -24.659 -3.163 0.666 1.00 0.00 C ATOM 1875 CE LYS A 115 -23.948 -3.460 -0.667 1.00 0.00 C ATOM 1876 NZ LYS A 115 -24.685 -2.918 -1.829 1.00 0.00 N ATOM 0 H LYS A 115 -20.267 -2.356 3.311 1.00 0.00 H new ATOM 0 HA LYS A 115 -21.537 -4.622 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -22.592 -2.162 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -22.513 -1.986 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -23.537 -4.613 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -24.416 -3.462 2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -25.608 -3.698 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -24.891 -2.099 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -22.945 -3.033 -0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -23.833 -4.538 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -24.214 -3.215 -2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -25.661 -3.278 -1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -24.699 -1.879 -1.777 1.00 0.00 H new ATOM 1890 N LEU A 116 -20.350 -3.808 -0.260 1.00 0.00 N ATOM 1891 CA LEU A 116 -19.562 -3.397 -1.408 1.00 0.00 C ATOM 1892 C LEU A 116 -20.240 -3.868 -2.680 1.00 0.00 C ATOM 1893 O LEU A 116 -20.570 -5.049 -2.815 1.00 0.00 O ATOM 1894 CB LEU A 116 -18.122 -3.893 -1.350 1.00 0.00 C ATOM 1895 CG LEU A 116 -17.296 -3.180 -2.437 1.00 0.00 C ATOM 1896 CD1 LEU A 116 -16.219 -2.309 -1.798 1.00 0.00 C ATOM 1897 CD2 LEU A 116 -16.770 -4.185 -3.468 1.00 0.00 C ATOM 0 H LEU A 116 -20.866 -4.678 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 116 -19.509 -2.308 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -17.697 -3.697 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -18.090 -4.972 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 116 -17.934 -2.499 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -15.643 -1.811 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -16.688 -1.560 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -15.555 -2.932 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.190 -3.659 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.136 -4.919 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.610 -4.693 -3.942 1.00 0.00 H new ATOM 1909 N ASP A 117 -20.412 -2.950 -3.625 1.00 0.00 N ATOM 1910 CA ASP A 117 -21.062 -3.223 -4.894 1.00 0.00 C ATOM 1911 C ASP A 117 -20.085 -3.666 -5.987 1.00 0.00 C ATOM 1912 O ASP A 117 -19.386 -2.863 -6.607 1.00 0.00 O ATOM 1913 CB ASP A 117 -21.918 -2.013 -5.307 1.00 0.00 C ATOM 1914 CG ASP A 117 -23.357 -2.086 -4.786 1.00 0.00 C ATOM 1915 OD1 ASP A 117 -23.843 -3.201 -4.467 1.00 0.00 O ATOM 1916 OD2 ASP A 117 -24.026 -1.041 -4.665 1.00 0.00 O ATOM 0 H ASP A 117 -20.099 -1.984 -3.526 1.00 0.00 H new ATOM 0 HA ASP A 117 -21.723 -4.079 -4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -21.450 -1.101 -4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -21.935 -1.943 -6.395 1.00 0.00 H new ATOM 1921 N LYS A 118 -20.034 -4.976 -6.253 1.00 0.00 N ATOM 1922 CA LYS A 118 -19.171 -5.590 -7.262 1.00 0.00 C ATOM 1923 C LYS A 118 -19.588 -5.312 -8.716 1.00 0.00 C ATOM 1924 O LYS A 118 -18.934 -5.852 -9.615 1.00 0.00 O ATOM 1925 CB LYS A 118 -19.085 -7.104 -7.019 1.00 0.00 C ATOM 1926 CG LYS A 118 -18.645 -7.466 -5.590 1.00 0.00 C ATOM 1927 CD LYS A 118 -19.737 -7.889 -4.604 1.00 0.00 C ATOM 1928 CE LYS A 118 -20.319 -9.302 -4.803 1.00 0.00 C ATOM 1929 NZ LYS A 118 -21.245 -9.438 -5.952 1.00 0.00 N ATOM 0 H LYS A 118 -20.610 -5.656 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 118 -18.194 -5.122 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -20.058 -7.553 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -18.383 -7.540 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -17.918 -8.276 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -18.126 -6.605 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -19.332 -7.824 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -20.553 -7.170 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -19.495 -10.004 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -20.845 -9.594 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -21.883 -10.243 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -21.805 -8.567 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -20.698 -9.599 -6.822 1.00 0.00 H new ATOM 1943 N ALA A 119 -20.665 -4.558 -8.969 1.00 0.00 N ATOM 1944 CA ALA A 119 -21.113 -4.234 -10.326 1.00 0.00 C ATOM 1945 C ALA A 119 -20.756 -2.786 -10.713 1.00 0.00 C ATOM 1946 O ALA A 119 -21.107 -2.337 -11.808 1.00 0.00 O ATOM 1947 CB ALA A 119 -22.603 -4.541 -10.508 1.00 0.00 C ATOM 0 H ALA A 119 -21.250 -4.156 -8.237 1.00 0.00 H new ATOM 0 HA ALA A 119 -20.572 -4.879 -11.018 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -22.905 -4.290 -11.525 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -22.781 -5.601 -10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -23.185 -3.951 -9.801 1.00 0.00 H new ATOM 1953 N VAL A 120 -20.114 -2.030 -9.817 1.00 0.00 N ATOM 1954 CA VAL A 120 -19.695 -0.649 -10.049 1.00 0.00 C ATOM 1955 C VAL A 120 -18.519 -0.694 -11.036 1.00 0.00 C ATOM 1956 O VAL A 120 -17.654 -1.565 -10.914 1.00 0.00 O ATOM 1957 CB VAL A 120 -19.334 -0.043 -8.675 1.00 0.00 C ATOM 1958 CG1 VAL A 120 -18.546 1.267 -8.716 1.00 0.00 C ATOM 1959 CG2 VAL A 120 -20.615 0.210 -7.868 1.00 0.00 C ATOM 0 H VAL A 120 -19.866 -2.372 -8.888 1.00 0.00 H new ATOM 0 HA VAL A 120 -20.468 -0.018 -10.489 1.00 0.00 H new ATOM 0 HB VAL A 120 -18.682 -0.785 -8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -18.346 1.603 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -17.602 1.108 -9.237 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -19.127 2.025 -9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -20.356 0.638 -6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -21.256 0.904 -8.411 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -21.143 -0.732 -7.719 1.00 0.00 H new ATOM 1969 N ASP A 121 -18.461 0.238 -11.990 1.00 0.00 N ATOM 1970 CA ASP A 121 -17.414 0.333 -13.011 1.00 0.00 C ATOM 1971 C ASP A 121 -16.069 0.596 -12.337 1.00 0.00 C ATOM 1972 O ASP A 121 -15.759 1.742 -11.993 1.00 0.00 O ATOM 1973 CB ASP A 121 -17.729 1.428 -14.057 1.00 0.00 C ATOM 1974 CG ASP A 121 -18.070 0.836 -15.420 1.00 0.00 C ATOM 1975 OD1 ASP A 121 -19.179 0.283 -15.583 1.00 0.00 O ATOM 1976 OD2 ASP A 121 -17.235 0.930 -16.351 1.00 0.00 O ATOM 0 H ASP A 121 -19.164 0.972 -12.076 1.00 0.00 H new ATOM 0 HA ASP A 121 -17.371 -0.615 -13.548 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.564 2.035 -13.706 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -16.871 2.093 -14.155 1.00 0.00 H new ATOM 1981 N LEU A 122 -15.268 -0.458 -12.139 1.00 0.00 N ATOM 1982 CA LEU A 122 -13.953 -0.371 -11.505 1.00 0.00 C ATOM 1983 C LEU A 122 -13.078 0.597 -12.294 1.00 0.00 C ATOM 1984 O LEU A 122 -12.350 1.362 -11.686 1.00 0.00 O ATOM 1985 CB LEU A 122 -13.292 -1.758 -11.404 1.00 0.00 C ATOM 1986 CG LEU A 122 -12.184 -1.939 -10.338 1.00 0.00 C ATOM 1987 CD1 LEU A 122 -11.004 -0.984 -10.412 1.00 0.00 C ATOM 1988 CD2 LEU A 122 -12.713 -1.961 -8.904 1.00 0.00 C ATOM 0 H LEU A 122 -15.521 -1.406 -12.419 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.072 0.003 -10.488 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -14.074 -2.491 -11.206 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -12.867 -2.001 -12.378 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.800 -2.923 -10.608 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -10.299 -1.214 -9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -10.508 -1.093 -11.376 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.358 0.041 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.881 -2.091 -8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -13.221 -1.021 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -13.415 -2.787 -8.788 1.00 0.00 H new ATOM 2000 N ALA A 123 -13.180 0.646 -13.626 1.00 0.00 N ATOM 2001 CA ALA A 123 -12.381 1.560 -14.443 1.00 0.00 C ATOM 2002 C ALA A 123 -12.517 3.011 -13.969 1.00 0.00 C ATOM 2003 O ALA A 123 -11.518 3.732 -13.882 1.00 0.00 O ATOM 2004 CB ALA A 123 -12.809 1.460 -15.903 1.00 0.00 C ATOM 0 H ALA A 123 -13.815 0.056 -14.164 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.336 1.267 -14.340 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -12.210 2.143 -16.505 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -12.661 0.440 -16.256 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -13.862 1.726 -15.992 1.00 0.00 H new ATOM 2010 N GLY A 124 -13.748 3.436 -13.664 1.00 0.00 N ATOM 2011 CA GLY A 124 -14.012 4.784 -13.188 1.00 0.00 C ATOM 2012 C GLY A 124 -13.320 4.978 -11.842 1.00 0.00 C ATOM 2013 O GLY A 124 -12.785 6.056 -11.562 1.00 0.00 O ATOM 0 H GLY A 124 -14.581 2.853 -13.742 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -13.647 5.516 -13.908 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -15.085 4.944 -13.086 1.00 0.00 H new ATOM 2017 N LEU A 125 -13.326 3.927 -11.014 1.00 0.00 N ATOM 2018 CA LEU A 125 -12.703 3.919 -9.704 1.00 0.00 C ATOM 2019 C LEU A 125 -11.193 4.016 -9.880 1.00 0.00 C ATOM 2020 O LEU A 125 -10.588 4.832 -9.200 1.00 0.00 O ATOM 2021 CB LEU A 125 -13.098 2.711 -8.847 1.00 0.00 C ATOM 2022 CG LEU A 125 -14.614 2.461 -8.703 1.00 0.00 C ATOM 2023 CD1 LEU A 125 -14.852 1.502 -7.538 1.00 0.00 C ATOM 2024 CD2 LEU A 125 -15.445 3.731 -8.481 1.00 0.00 C ATOM 0 H LEU A 125 -13.777 3.043 -11.250 1.00 0.00 H new ATOM 0 HA LEU A 125 -13.069 4.784 -9.151 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.640 1.819 -9.275 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -12.673 2.840 -7.851 1.00 0.00 H new ATOM 0 HG LEU A 125 -14.946 2.039 -9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -15.921 1.320 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -14.341 0.559 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -14.464 1.942 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -16.498 3.465 -8.390 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -15.116 4.226 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -15.312 4.405 -9.327 1.00 0.00 H new ATOM 2036 N THR A 126 -10.566 3.261 -10.787 1.00 0.00 N ATOM 2037 CA THR A 126 -9.127 3.331 -11.028 1.00 0.00 C ATOM 2038 C THR A 126 -8.709 4.771 -11.323 1.00 0.00 C ATOM 2039 O THR A 126 -7.701 5.224 -10.784 1.00 0.00 O ATOM 2040 CB THR A 126 -8.749 2.389 -12.191 1.00 0.00 C ATOM 2041 OG1 THR A 126 -9.175 1.081 -11.898 1.00 0.00 O ATOM 2042 CG2 THR A 126 -7.255 2.291 -12.505 1.00 0.00 C ATOM 0 H THR A 126 -11.047 2.582 -11.376 1.00 0.00 H new ATOM 0 HA THR A 126 -8.593 3.006 -10.135 1.00 0.00 H new ATOM 0 HB THR A 126 -9.241 2.829 -13.058 1.00 0.00 H new ATOM 0 HG1 THR A 126 -8.935 0.485 -12.638 1.00 0.00 H new ATOM 0 HG21 THR A 126 -7.102 1.604 -13.337 1.00 0.00 H new ATOM 0 HG22 THR A 126 -6.874 3.276 -12.774 1.00 0.00 H new ATOM 0 HG23 THR A 126 -6.722 1.923 -11.628 1.00 0.00 H new ATOM 2050 N ALA A 127 -9.487 5.500 -12.130 1.00 0.00 N ATOM 2051 CA ALA A 127 -9.163 6.880 -12.481 1.00 0.00 C ATOM 2052 C ALA A 127 -9.337 7.797 -11.270 1.00 0.00 C ATOM 2053 O ALA A 127 -8.407 8.490 -10.830 1.00 0.00 O ATOM 2054 CB ALA A 127 -10.044 7.332 -13.653 1.00 0.00 C ATOM 0 H ALA A 127 -10.348 5.152 -12.552 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.119 6.938 -12.789 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.802 8.362 -13.914 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.864 6.687 -14.513 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -11.093 7.268 -13.365 1.00 0.00 H new ATOM 2060 N ARG A 128 -10.543 7.786 -10.697 1.00 0.00 N ATOM 2061 CA ARG A 128 -10.845 8.618 -9.540 1.00 0.00 C ATOM 2062 C ARG A 128 -9.990 8.261 -8.326 1.00 0.00 C ATOM 2063 O ARG A 128 -10.035 9.005 -7.365 1.00 0.00 O ATOM 2064 CB ARG A 128 -12.355 8.671 -9.268 1.00 0.00 C ATOM 2065 CG ARG A 128 -12.879 7.427 -8.550 1.00 0.00 C ATOM 2066 CD ARG A 128 -13.196 7.695 -7.069 1.00 0.00 C ATOM 2067 NE ARG A 128 -14.393 8.530 -6.880 1.00 0.00 N ATOM 2068 CZ ARG A 128 -15.659 8.215 -7.170 1.00 0.00 C ATOM 2069 NH1 ARG A 128 -15.971 7.003 -7.617 1.00 0.00 N ATOM 2070 NH2 ARG A 128 -16.606 9.141 -7.082 1.00 0.00 N ATOM 0 H ARG A 128 -11.321 7.210 -11.018 1.00 0.00 H new ATOM 0 HA ARG A 128 -10.557 9.642 -9.777 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -12.579 9.552 -8.666 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -12.885 8.788 -10.214 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -13.779 7.072 -9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -12.139 6.630 -8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -13.338 6.744 -6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -12.341 8.184 -6.603 1.00 0.00 H new ATOM 0 HE ARG A 128 -14.239 9.456 -6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -15.241 6.302 -7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -16.941 6.774 -7.835 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -16.366 10.090 -6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -17.573 8.904 -7.303 1.00 0.00 H new ATOM 2084 N LEU A 129 -9.249 7.151 -8.340 1.00 0.00 N ATOM 2085 CA LEU A 129 -8.349 6.706 -7.284 1.00 0.00 C ATOM 2086 C LEU A 129 -6.955 7.210 -7.652 1.00 0.00 C ATOM 2087 O LEU A 129 -6.255 7.776 -6.818 1.00 0.00 O ATOM 2088 CB LEU A 129 -8.450 5.188 -7.113 1.00 0.00 C ATOM 2089 CG LEU A 129 -7.636 4.625 -5.931 1.00 0.00 C ATOM 2090 CD1 LEU A 129 -8.541 3.968 -4.889 1.00 0.00 C ATOM 2091 CD2 LEU A 129 -6.658 3.566 -6.434 1.00 0.00 C ATOM 0 H LEU A 129 -9.264 6.508 -9.131 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.611 7.113 -6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -9.498 4.919 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -8.113 4.708 -8.032 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.107 5.461 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -7.933 3.582 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -9.245 4.705 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -9.091 3.148 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -6.085 3.172 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -7.211 2.756 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -5.978 4.014 -7.159 1.00 0.00 H new ATOM 2103 N ALA A 130 -6.568 7.072 -8.931 1.00 0.00 N ATOM 2104 CA ALA A 130 -5.290 7.542 -9.455 1.00 0.00 C ATOM 2105 C ALA A 130 -5.227 9.075 -9.396 1.00 0.00 C ATOM 2106 O ALA A 130 -4.154 9.649 -9.563 1.00 0.00 O ATOM 2107 CB ALA A 130 -5.091 7.064 -10.895 1.00 0.00 C ATOM 0 H ALA A 130 -7.151 6.621 -9.637 1.00 0.00 H new ATOM 0 HA ALA A 130 -4.491 7.129 -8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -4.133 7.424 -11.269 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -5.105 5.974 -10.922 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.894 7.452 -11.522 1.00 0.00 H new ATOM 2113 N HIS A 131 -6.342 9.765 -9.128 1.00 0.00 N ATOM 2114 CA HIS A 131 -6.353 11.221 -9.011 1.00 0.00 C ATOM 2115 C HIS A 131 -5.385 11.752 -7.929 1.00 0.00 C ATOM 2116 O HIS A 131 -4.927 12.890 -8.040 1.00 0.00 O ATOM 2117 CB HIS A 131 -7.787 11.734 -8.795 1.00 0.00 C ATOM 2118 CG HIS A 131 -8.384 11.671 -7.402 1.00 0.00 C ATOM 2119 ND1 HIS A 131 -8.107 10.782 -6.394 1.00 0.00 N flip ATOM 2120 CD2 HIS A 131 -9.407 12.477 -6.948 1.00 0.00 C flip ATOM 2121 CE1 HIS A 131 -8.958 11.067 -5.325 1.00 0.00 C flip ATOM 2122 NE2 HIS A 131 -9.739 12.081 -5.712 1.00 0.00 N flip ATOM 0 H HIS A 131 -7.254 9.330 -8.988 1.00 0.00 H new ATOM 0 HA HIS A 131 -5.982 11.618 -9.956 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -7.818 12.774 -9.121 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -8.442 11.172 -9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -9.863 13.289 -7.495 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -8.981 10.565 -4.369 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -10.481 12.494 -5.147 1.00 0.00 H new ATOM 2130 N HIS A 132 -5.082 10.946 -6.900 1.00 0.00 N ATOM 2131 CA HIS A 132 -4.199 11.225 -5.758 1.00 0.00 C ATOM 2132 C HIS A 132 -4.411 12.611 -5.106 1.00 0.00 C ATOM 2133 O HIS A 132 -3.491 13.142 -4.482 1.00 0.00 O ATOM 2134 CB HIS A 132 -2.729 11.026 -6.175 1.00 0.00 C ATOM 2135 CG HIS A 132 -2.379 9.715 -6.833 1.00 0.00 C ATOM 2136 ND1 HIS A 132 -1.728 9.605 -8.036 1.00 0.00 N ATOM 2137 CD2 HIS A 132 -2.602 8.448 -6.364 1.00 0.00 C ATOM 2138 CE1 HIS A 132 -1.579 8.303 -8.310 1.00 0.00 C ATOM 2139 NE2 HIS A 132 -2.071 7.555 -7.308 1.00 0.00 N ATOM 0 H HIS A 132 -5.480 10.009 -6.841 1.00 0.00 H new ATOM 0 HA HIS A 132 -4.467 10.509 -4.982 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -2.458 11.831 -6.858 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -2.106 11.137 -5.287 1.00 0.00 H new ATOM 0 HD1 HIS A 132 -1.413 10.380 -8.620 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -3.095 8.185 -5.440 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -1.127 7.910 -9.209 1.00 0.00 H new ATOM 2147 N VAL A 133 -5.595 13.210 -5.239 1.00 0.00 N ATOM 2148 CA VAL A 133 -5.949 14.524 -4.712 1.00 0.00 C ATOM 2149 C VAL A 133 -5.670 14.652 -3.212 1.00 0.00 C ATOM 2150 O VAL A 133 -4.835 15.469 -2.819 1.00 0.00 O ATOM 2151 CB VAL A 133 -7.412 14.831 -5.108 1.00 0.00 C ATOM 2152 CG1 VAL A 133 -8.051 16.034 -4.402 1.00 0.00 C ATOM 2153 CG2 VAL A 133 -7.489 15.091 -6.623 1.00 0.00 C ATOM 0 H VAL A 133 -6.367 12.770 -5.740 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.308 15.284 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 133 -7.972 13.950 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -9.075 16.160 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -8.054 15.864 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.478 16.934 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.520 15.307 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -6.857 15.942 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -7.144 14.208 -7.162 1.00 0.00 H new ATOM 2163 N HIS A 134 -6.379 13.892 -2.383 1.00 0.00 N ATOM 2164 CA HIS A 134 -6.293 13.890 -0.925 1.00 0.00 C ATOM 2165 C HIS A 134 -5.768 12.585 -0.303 1.00 0.00 C ATOM 2166 O HIS A 134 -5.749 12.455 0.922 1.00 0.00 O ATOM 2167 CB HIS A 134 -7.698 14.241 -0.420 1.00 0.00 C ATOM 2168 CG HIS A 134 -8.721 13.169 -0.718 1.00 0.00 C ATOM 2169 ND1 HIS A 134 -9.058 12.143 0.129 1.00 0.00 N ATOM 2170 CD2 HIS A 134 -9.439 13.007 -1.873 1.00 0.00 C ATOM 2171 CE1 HIS A 134 -9.957 11.373 -0.504 1.00 0.00 C ATOM 2172 NE2 HIS A 134 -10.238 11.868 -1.723 1.00 0.00 N ATOM 0 H HIS A 134 -7.067 13.224 -2.729 1.00 0.00 H new ATOM 0 HA HIS A 134 -5.546 14.619 -0.613 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -7.659 14.408 0.656 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -8.018 15.177 -0.877 1.00 0.00 H new ATOM 0 HD1 HIS A 134 -8.692 11.993 1.069 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -9.396 13.644 -2.744 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -10.396 10.477 -0.090 1.00 0.00 H new ATOM 2180 N ALA A 135 -5.370 11.619 -1.137 1.00 0.00 N ATOM 2181 CA ALA A 135 -4.883 10.310 -0.727 1.00 0.00 C ATOM 2182 C ALA A 135 -3.653 10.340 0.172 1.00 0.00 C ATOM 2183 O ALA A 135 -3.656 9.704 1.201 1.00 0.00 O ATOM 2184 CB ALA A 135 -4.646 9.427 -1.956 1.00 0.00 C ATOM 0 H ALA A 135 -5.381 11.737 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 135 -5.670 9.880 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -4.282 8.450 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -5.581 9.305 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -3.906 9.896 -2.604 1.00 0.00 H new ATOM 2190 N GLU A 136 -2.585 11.008 -0.235 1.00 0.00 N ATOM 2191 CA GLU A 136 -1.259 11.223 0.372 1.00 0.00 C ATOM 2192 C GLU A 136 -0.661 9.951 0.985 1.00 0.00 C ATOM 2193 O GLU A 136 0.218 9.951 1.853 1.00 0.00 O ATOM 2194 CB GLU A 136 -1.211 12.477 1.246 1.00 0.00 C ATOM 2195 CG GLU A 136 -2.409 12.669 2.170 1.00 0.00 C ATOM 2196 CD GLU A 136 -2.302 13.934 3.022 1.00 0.00 C ATOM 2197 OE1 GLU A 136 -1.191 14.473 3.250 1.00 0.00 O ATOM 2198 OE2 GLU A 136 -3.346 14.384 3.546 1.00 0.00 O ATOM 0 H GLU A 136 -2.626 11.488 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 136 -0.566 11.448 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -0.306 12.444 1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.128 13.350 0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -3.320 12.715 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -2.500 11.802 2.824 1.00 0.00 H new ATOM 2205 N GLY A 137 -1.120 8.862 0.395 1.00 0.00 N ATOM 2206 CA GLY A 137 -0.838 7.489 0.644 1.00 0.00 C ATOM 2207 C GLY A 137 -1.429 6.973 1.954 1.00 0.00 C ATOM 2208 O GLY A 137 -0.741 6.240 2.679 1.00 0.00 O ATOM 0 H GLY A 137 -1.788 8.951 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -1.226 6.891 -0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 137 0.242 7.346 0.661 1.00 0.00 H new ATOM 2212 N LEU A 138 -2.679 7.365 2.222 1.00 0.00 N ATOM 2213 CA LEU A 138 -3.503 7.038 3.376 1.00 0.00 C ATOM 2214 C LEU A 138 -3.494 5.558 3.674 1.00 0.00 C ATOM 2215 O LEU A 138 -3.630 5.301 4.883 1.00 0.00 O ATOM 2216 CB LEU A 138 -4.957 7.534 3.213 1.00 0.00 C ATOM 2217 CG LEU A 138 -5.327 8.633 4.219 1.00 0.00 C ATOM 2218 CD1 LEU A 138 -4.611 9.956 3.926 1.00 0.00 C ATOM 2219 CD2 LEU A 138 -6.840 8.872 4.192 1.00 0.00 C ATOM 0 H LEU A 138 -3.179 7.974 1.574 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.058 7.562 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -5.095 7.913 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.639 6.692 3.334 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.009 8.288 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.906 10.701 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.533 9.805 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -4.884 10.305 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.098 9.653 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.141 9.183 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.359 7.951 4.458 1.00 0.00 H new TER 2231 LEU A 138