USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=27 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 27 GLN : amide:sc= 1.49 K(o=2.8,f=-2) USER MOD Set 1.2: A 32 THR OG1 : rot 111:sc= 1.3 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0663 USER MOD Single : A 9 LYS NZ :NH3+ 148:sc= 0.0856 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000124) USER MOD Single : A 25 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 167:sc=-0.000112 (180deg=-0.168) USER MOD Single : A 34 CYS SG : rot 180:sc= 0.787 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 42 GLN : amide:sc= -0.735 X(o=-0.73,f=-0.27) USER MOD Single : A 56 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -36:sc= 1.37 USER MOD Single : A 68 MET CE :methyl 163:sc= 0 (180deg=-0.097) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 175:sc= -0.0201 (180deg=-0.0422) USER MOD Single : A 78 SER OG : rot 80:sc= 0.129 USER MOD Single : A 79 CYS SG : rot -87:sc= 0.214 USER MOD Single : A 80 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00648 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0287 USER MOD Single : A 88 MET CE :methyl 159:sc= -0.499 (180deg=-1.18) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.9!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.188 X(o=-0.19,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 173:sc= 0.791 (180deg=0.754) USER MOD Single : A 126 THR OG1 : rot 81:sc= 0.507 USER MOD Single : A 131 HIS : no HD1:sc= -0.441 X(o=-0.44,f=-0.017) USER MOD Single : A 132 HIS : no HE2:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 134 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 34.687 48.349 16.652 1.00 0.00 N ATOM 2 CA PRO A 1 34.275 47.302 15.701 1.00 0.00 C ATOM 3 C PRO A 1 32.795 47.443 15.331 1.00 0.00 C ATOM 4 O PRO A 1 32.006 47.937 16.133 1.00 0.00 O ATOM 5 CB PRO A 1 34.536 45.969 16.418 1.00 0.00 C ATOM 6 CG PRO A 1 34.329 46.316 17.900 1.00 0.00 C ATOM 7 CD PRO A 1 34.835 47.759 17.993 1.00 0.00 C ATOM 0 H2 PRO A 1 33.994 49.097 16.672 1.00 0.00 H new ATOM 0 H3 PRO A 1 35.568 48.767 16.353 1.00 0.00 H new ATOM 0 HA PRO A 1 34.830 47.372 14.765 1.00 0.00 H new ATOM 0 HB2 PRO A 1 33.846 45.193 16.087 1.00 0.00 H new ATOM 0 HB3 PRO A 1 35.544 45.601 16.228 1.00 0.00 H new ATOM 0 HG2 PRO A 1 33.281 46.237 18.190 1.00 0.00 H new ATOM 0 HG3 PRO A 1 34.892 45.649 18.553 1.00 0.00 H new ATOM 0 HD2 PRO A 1 34.262 48.323 18.729 1.00 0.00 H new ATOM 0 HD3 PRO A 1 35.877 47.784 18.313 1.00 0.00 H new ATOM 15 N ALA A 2 32.425 47.027 14.119 1.00 0.00 N ATOM 16 CA ALA A 2 31.067 47.062 13.594 1.00 0.00 C ATOM 17 C ALA A 2 30.888 45.820 12.722 1.00 0.00 C ATOM 18 O ALA A 2 31.882 45.246 12.274 1.00 0.00 O ATOM 19 CB ALA A 2 30.851 48.345 12.782 1.00 0.00 C ATOM 0 H ALA A 2 33.094 46.641 13.452 1.00 0.00 H new ATOM 0 HA ALA A 2 30.333 47.062 14.399 1.00 0.00 H new ATOM 0 HB1 ALA A 2 29.833 48.363 12.393 1.00 0.00 H new ATOM 0 HB2 ALA A 2 31.010 49.212 13.423 1.00 0.00 H new ATOM 0 HB3 ALA A 2 31.557 48.373 11.952 1.00 0.00 H new ATOM 25 N ALA A 3 29.642 45.398 12.521 1.00 0.00 N ATOM 26 CA ALA A 3 29.229 44.250 11.726 1.00 0.00 C ATOM 27 C ALA A 3 27.725 44.399 11.468 1.00 0.00 C ATOM 28 O ALA A 3 27.108 45.357 11.941 1.00 0.00 O ATOM 29 CB ALA A 3 29.522 42.948 12.490 1.00 0.00 C ATOM 0 H ALA A 3 28.845 45.881 12.936 1.00 0.00 H new ATOM 0 HA ALA A 3 29.775 44.208 10.784 1.00 0.00 H new ATOM 0 HB1 ALA A 3 29.210 42.095 11.888 1.00 0.00 H new ATOM 0 HB2 ALA A 3 30.591 42.878 12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 3 28.973 42.947 13.432 1.00 0.00 H new ATOM 35 N SER A 4 27.134 43.450 10.751 1.00 0.00 N ATOM 36 CA SER A 4 25.721 43.403 10.409 1.00 0.00 C ATOM 37 C SER A 4 25.208 41.979 10.671 1.00 0.00 C ATOM 38 O SER A 4 26.013 41.042 10.688 1.00 0.00 O ATOM 39 CB SER A 4 25.536 43.834 8.943 1.00 0.00 C ATOM 40 OG SER A 4 26.593 43.381 8.109 1.00 0.00 O ATOM 0 H SER A 4 27.653 42.656 10.376 1.00 0.00 H new ATOM 0 HA SER A 4 25.141 44.092 11.022 1.00 0.00 H new ATOM 0 HB2 SER A 4 24.589 43.444 8.569 1.00 0.00 H new ATOM 0 HB3 SER A 4 25.476 44.921 8.891 1.00 0.00 H new ATOM 0 HG SER A 4 26.433 43.676 7.188 1.00 0.00 H new ATOM 46 N PRO A 5 23.897 41.791 10.905 1.00 0.00 N ATOM 47 CA PRO A 5 23.343 40.468 11.147 1.00 0.00 C ATOM 48 C PRO A 5 23.295 39.672 9.838 1.00 0.00 C ATOM 49 O PRO A 5 23.300 40.241 8.742 1.00 0.00 O ATOM 50 CB PRO A 5 21.939 40.721 11.703 1.00 0.00 C ATOM 51 CG PRO A 5 21.530 42.027 11.021 1.00 0.00 C ATOM 52 CD PRO A 5 22.847 42.800 10.926 1.00 0.00 C ATOM 0 HA PRO A 5 23.943 39.881 11.842 1.00 0.00 H new ATOM 0 HB2 PRO A 5 21.256 39.907 11.460 1.00 0.00 H new ATOM 0 HB3 PRO A 5 21.946 40.817 12.789 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.096 41.849 10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.786 42.570 11.604 1.00 0.00 H new ATOM 0 HD2 PRO A 5 22.876 43.414 10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 5 22.968 43.473 11.775 1.00 0.00 H new ATOM 60 N SER A 6 23.258 38.346 9.951 1.00 0.00 N ATOM 61 CA SER A 6 23.186 37.455 8.808 1.00 0.00 C ATOM 62 C SER A 6 21.771 37.504 8.210 1.00 0.00 C ATOM 63 O SER A 6 20.818 37.963 8.845 1.00 0.00 O ATOM 64 CB SER A 6 23.606 36.043 9.254 1.00 0.00 C ATOM 65 OG SER A 6 23.180 35.744 10.575 1.00 0.00 O ATOM 0 H SER A 6 23.278 37.861 10.848 1.00 0.00 H new ATOM 0 HA SER A 6 23.871 37.766 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.189 35.308 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.691 35.954 9.196 1.00 0.00 H new ATOM 0 HG SER A 6 23.467 34.838 10.814 1.00 0.00 H new ATOM 71 N ALA A 7 21.621 37.036 6.969 1.00 0.00 N ATOM 72 CA ALA A 7 20.352 37.001 6.257 1.00 0.00 C ATOM 73 C ALA A 7 20.324 35.790 5.336 1.00 0.00 C ATOM 74 O ALA A 7 21.355 35.158 5.108 1.00 0.00 O ATOM 75 CB ALA A 7 20.176 38.272 5.431 1.00 0.00 C ATOM 0 H ALA A 7 22.398 36.664 6.424 1.00 0.00 H new ATOM 0 HA ALA A 7 19.540 36.934 6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.223 38.234 4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.191 39.140 6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.988 38.352 4.708 1.00 0.00 H new ATOM 81 N LEU A 8 19.146 35.494 4.780 1.00 0.00 N ATOM 82 CA LEU A 8 18.911 34.366 3.886 1.00 0.00 C ATOM 83 C LEU A 8 18.108 34.820 2.663 1.00 0.00 C ATOM 84 O LEU A 8 17.701 35.988 2.564 1.00 0.00 O ATOM 85 CB LEU A 8 18.199 33.233 4.657 1.00 0.00 C ATOM 86 CG LEU A 8 18.977 32.773 5.914 1.00 0.00 C ATOM 87 CD1 LEU A 8 18.378 33.333 7.212 1.00 0.00 C ATOM 88 CD2 LEU A 8 19.043 31.244 6.009 1.00 0.00 C ATOM 0 H LEU A 8 18.308 36.051 4.947 1.00 0.00 H new ATOM 0 HA LEU A 8 19.863 33.978 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 8 17.207 33.572 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 8 18.059 32.381 3.992 1.00 0.00 H new ATOM 0 HG LEU A 8 19.985 33.171 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 8 18.960 32.980 8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.401 34.422 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.347 32.994 7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 8 19.597 30.959 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 8 18.033 30.839 6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.547 30.846 5.128 1.00 0.00 H new ATOM 100 N LYS A 9 17.914 33.912 1.701 1.00 0.00 N ATOM 101 CA LYS A 9 17.176 34.136 0.461 1.00 0.00 C ATOM 102 C LYS A 9 16.743 32.785 -0.103 1.00 0.00 C ATOM 103 O LYS A 9 17.325 31.762 0.251 1.00 0.00 O ATOM 104 CB LYS A 9 18.090 34.865 -0.554 1.00 0.00 C ATOM 105 CG LYS A 9 17.390 35.921 -1.430 1.00 0.00 C ATOM 106 CD LYS A 9 17.325 37.312 -0.773 1.00 0.00 C ATOM 107 CE LYS A 9 16.221 37.427 0.290 1.00 0.00 C ATOM 108 NZ LYS A 9 16.504 38.483 1.284 1.00 0.00 N ATOM 0 H LYS A 9 18.283 32.964 1.771 1.00 0.00 H new ATOM 0 HA LYS A 9 16.296 34.751 0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 9 18.899 35.349 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.547 34.121 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.916 36.000 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.377 35.585 -1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.288 37.535 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.158 38.064 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.270 37.638 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.112 36.471 0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.609 38.899 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.012 38.071 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.090 39.223 0.847 1.00 0.00 H new ATOM 122 N GLY A 10 15.761 32.800 -1.000 1.00 0.00 N ATOM 123 CA GLY A 10 15.218 31.633 -1.671 1.00 0.00 C ATOM 124 C GLY A 10 15.471 31.858 -3.151 1.00 0.00 C ATOM 125 O GLY A 10 14.775 32.661 -3.770 1.00 0.00 O ATOM 0 H GLY A 10 15.305 33.666 -1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.703 30.721 -1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.153 31.524 -1.468 1.00 0.00 H new ATOM 129 N VAL A 11 16.508 31.236 -3.707 1.00 0.00 N ATOM 130 CA VAL A 11 16.873 31.372 -5.113 1.00 0.00 C ATOM 131 C VAL A 11 17.394 30.020 -5.611 1.00 0.00 C ATOM 132 O VAL A 11 17.758 29.166 -4.797 1.00 0.00 O ATOM 133 CB VAL A 11 17.874 32.548 -5.252 1.00 0.00 C ATOM 134 CG1 VAL A 11 19.209 32.308 -4.525 1.00 0.00 C ATOM 135 CG2 VAL A 11 18.145 32.937 -6.712 1.00 0.00 C ATOM 0 H VAL A 11 17.126 30.615 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 11 16.023 31.623 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 11 17.371 33.382 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 11 19.860 33.171 -4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 11 19.023 32.163 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 11 19.691 31.420 -4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 11 18.853 33.765 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 11 18.563 32.083 -7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 11 17.212 33.240 -7.187 1.00 0.00 H new ATOM 145 N SER A 12 17.396 29.816 -6.931 1.00 0.00 N ATOM 146 CA SER A 12 17.855 28.603 -7.605 1.00 0.00 C ATOM 147 C SER A 12 17.246 27.314 -7.035 1.00 0.00 C ATOM 148 O SER A 12 17.890 26.271 -6.986 1.00 0.00 O ATOM 149 CB SER A 12 19.388 28.605 -7.620 1.00 0.00 C ATOM 150 OG SER A 12 19.856 29.780 -8.260 1.00 0.00 O ATOM 0 H SER A 12 17.063 30.524 -7.586 1.00 0.00 H new ATOM 0 HA SER A 12 17.493 28.613 -8.633 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.772 28.556 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.758 27.723 -8.142 1.00 0.00 H new ATOM 0 HG SER A 12 20.836 29.780 -8.267 1.00 0.00 H new ATOM 156 N GLN A 13 15.996 27.412 -6.601 1.00 0.00 N ATOM 157 CA GLN A 13 15.195 26.356 -6.002 1.00 0.00 C ATOM 158 C GLN A 13 14.864 25.338 -7.095 1.00 0.00 C ATOM 159 O GLN A 13 15.410 24.237 -7.131 1.00 0.00 O ATOM 160 CB GLN A 13 13.930 26.971 -5.365 1.00 0.00 C ATOM 161 CG GLN A 13 14.162 28.198 -4.455 1.00 0.00 C ATOM 162 CD GLN A 13 13.053 29.217 -4.678 1.00 0.00 C ATOM 163 OE1 GLN A 13 13.020 29.843 -5.736 1.00 0.00 O ATOM 164 NE2 GLN A 13 12.124 29.372 -3.756 1.00 0.00 N ATOM 0 H GLN A 13 15.482 28.291 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 13 15.736 25.844 -5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.248 27.260 -6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 13 13.429 26.199 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.181 27.890 -3.410 1.00 0.00 H new ATOM 0 HG3 GLN A 13 15.131 28.647 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.174 28.841 -2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.355 30.023 -3.912 1.00 0.00 H new ATOM 173 N ALA A 14 13.999 25.737 -8.033 1.00 0.00 N ATOM 174 CA ALA A 14 13.577 24.903 -9.151 1.00 0.00 C ATOM 175 C ALA A 14 14.741 24.701 -10.125 1.00 0.00 C ATOM 176 O ALA A 14 14.684 23.837 -11.004 1.00 0.00 O ATOM 177 CB ALA A 14 12.371 25.536 -9.842 1.00 0.00 C ATOM 0 H ALA A 14 13.569 26.662 -8.032 1.00 0.00 H new ATOM 0 HA ALA A 14 13.278 23.922 -8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.059 24.909 -10.677 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.550 25.627 -9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.641 26.525 -10.212 1.00 0.00 H new ATOM 183 N LEU A 15 15.786 25.523 -10.014 1.00 0.00 N ATOM 184 CA LEU A 15 16.980 25.434 -10.832 1.00 0.00 C ATOM 185 C LEU A 15 17.698 24.152 -10.401 1.00 0.00 C ATOM 186 O LEU A 15 17.982 23.314 -11.254 1.00 0.00 O ATOM 187 CB LEU A 15 17.805 26.715 -10.642 1.00 0.00 C ATOM 188 CG LEU A 15 19.092 26.874 -11.468 1.00 0.00 C ATOM 189 CD1 LEU A 15 20.262 26.104 -10.853 1.00 0.00 C ATOM 190 CD2 LEU A 15 18.892 26.510 -12.941 1.00 0.00 C ATOM 0 H LEU A 15 15.819 26.284 -9.335 1.00 0.00 H new ATOM 0 HA LEU A 15 16.778 25.370 -11.901 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.159 27.564 -10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.074 26.786 -9.588 1.00 0.00 H new ATOM 0 HG LEU A 15 19.347 27.933 -11.439 1.00 0.00 H new ATOM 0 HD11 LEU A 15 21.152 26.243 -11.467 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.454 26.476 -9.847 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.015 25.043 -10.806 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.831 26.640 -13.479 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.570 25.472 -13.019 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.132 27.159 -13.376 1.00 0.00 H new ATOM 202 N LEU A 16 17.948 23.972 -9.094 1.00 0.00 N ATOM 203 CA LEU A 16 18.611 22.787 -8.555 1.00 0.00 C ATOM 204 C LEU A 16 17.795 21.524 -8.818 1.00 0.00 C ATOM 205 O LEU A 16 18.391 20.468 -9.018 1.00 0.00 O ATOM 206 CB LEU A 16 18.870 22.940 -7.042 1.00 0.00 C ATOM 207 CG LEU A 16 20.347 23.217 -6.715 1.00 0.00 C ATOM 208 CD1 LEU A 16 20.861 24.539 -7.298 1.00 0.00 C ATOM 209 CD2 LEU A 16 20.555 23.225 -5.196 1.00 0.00 C ATOM 0 H LEU A 16 17.691 24.654 -8.381 1.00 0.00 H new ATOM 0 HA LEU A 16 19.568 22.690 -9.068 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.258 23.754 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 16 18.554 22.031 -6.530 1.00 0.00 H new ATOM 0 HG LEU A 16 20.919 22.414 -7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 16 21.909 24.672 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 16 20.764 24.520 -8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 16 20.276 25.366 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 16 21.604 23.422 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 16 19.937 24.003 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.273 22.256 -4.785 1.00 0.00 H new ATOM 221 N GLU A 17 16.461 21.610 -8.890 1.00 0.00 N ATOM 222 CA GLU A 17 15.633 20.432 -9.150 1.00 0.00 C ATOM 223 C GLU A 17 16.028 19.753 -10.461 1.00 0.00 C ATOM 224 O GLU A 17 15.985 18.529 -10.538 1.00 0.00 O ATOM 225 CB GLU A 17 14.134 20.767 -9.186 1.00 0.00 C ATOM 226 CG GLU A 17 13.547 21.140 -7.823 1.00 0.00 C ATOM 227 CD GLU A 17 13.777 20.056 -6.772 1.00 0.00 C ATOM 228 OE1 GLU A 17 13.232 18.932 -6.904 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.477 20.348 -5.774 1.00 0.00 O ATOM 0 H GLU A 17 15.937 22.477 -8.772 1.00 0.00 H new ATOM 0 HA GLU A 17 15.812 19.749 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.973 21.594 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.590 19.910 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.994 22.074 -7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.477 21.319 -7.928 1.00 0.00 H new ATOM 236 N ARG A 18 16.470 20.493 -11.487 1.00 0.00 N ATOM 237 CA ARG A 18 16.857 19.865 -12.755 1.00 0.00 C ATOM 238 C ARG A 18 18.136 19.030 -12.627 1.00 0.00 C ATOM 239 O ARG A 18 18.495 18.326 -13.567 1.00 0.00 O ATOM 240 CB ARG A 18 16.914 20.900 -13.888 1.00 0.00 C ATOM 241 CG ARG A 18 18.253 21.636 -14.039 1.00 0.00 C ATOM 242 CD ARG A 18 18.075 23.015 -14.696 1.00 0.00 C ATOM 243 NE ARG A 18 17.363 22.974 -15.989 1.00 0.00 N ATOM 244 CZ ARG A 18 17.838 22.569 -17.174 1.00 0.00 C ATOM 245 NH1 ARG A 18 19.039 22.000 -17.263 1.00 0.00 N ATOM 246 NH2 ARG A 18 17.112 22.753 -18.269 1.00 0.00 N ATOM 0 H ARG A 18 16.567 21.508 -11.465 1.00 0.00 H new ATOM 0 HA ARG A 18 16.079 19.151 -13.024 1.00 0.00 H new ATOM 0 HB2 ARG A 18 16.687 20.398 -14.828 1.00 0.00 H new ATOM 0 HB3 ARG A 18 16.129 21.638 -13.723 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.714 21.757 -13.059 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.934 21.032 -14.639 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.529 23.665 -14.012 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.057 23.464 -14.847 1.00 0.00 H new ATOM 0 HE ARG A 18 16.394 23.292 -15.978 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.605 21.870 -16.425 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.393 21.695 -18.170 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.198 23.201 -18.205 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.468 22.447 -19.174 1.00 0.00 H new ATOM 260 N ILE A 19 18.858 19.140 -11.510 1.00 0.00 N ATOM 261 CA ILE A 19 20.085 18.411 -11.231 1.00 0.00 C ATOM 262 C ILE A 19 19.765 17.116 -10.473 1.00 0.00 C ATOM 263 O ILE A 19 20.422 16.112 -10.739 1.00 0.00 O ATOM 264 CB ILE A 19 21.087 19.287 -10.434 1.00 0.00 C ATOM 265 CG1 ILE A 19 21.288 20.674 -11.098 1.00 0.00 C ATOM 266 CG2 ILE A 19 22.428 18.538 -10.302 1.00 0.00 C ATOM 267 CD1 ILE A 19 22.221 21.615 -10.325 1.00 0.00 C ATOM 0 H ILE A 19 18.589 19.764 -10.750 1.00 0.00 H new ATOM 0 HA ILE A 19 20.557 18.153 -12.179 1.00 0.00 H new ATOM 0 HB ILE A 19 20.677 19.468 -9.441 1.00 0.00 H new ATOM 0 HG12 ILE A 19 21.688 20.529 -12.102 1.00 0.00 H new ATOM 0 HG13 ILE A 19 20.316 21.155 -11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 19 23.134 19.152 -9.742 1.00 0.00 H new ATOM 0 HG22 ILE A 19 22.269 17.597 -9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 19 22.831 18.335 -11.294 1.00 0.00 H new ATOM 0 HD11 ILE A 19 22.306 22.562 -10.858 1.00 0.00 H new ATOM 0 HD12 ILE A 19 21.814 21.794 -9.330 1.00 0.00 H new ATOM 0 HD13 ILE A 19 23.207 21.158 -10.237 1.00 0.00 H new ATOM 279 N ARG A 20 18.733 17.104 -9.613 1.00 0.00 N ATOM 280 CA ARG A 20 18.295 15.974 -8.780 1.00 0.00 C ATOM 281 C ARG A 20 18.441 14.621 -9.458 1.00 0.00 C ATOM 282 O ARG A 20 19.198 13.783 -8.977 1.00 0.00 O ATOM 283 CB ARG A 20 16.849 16.231 -8.303 1.00 0.00 C ATOM 284 CG ARG A 20 16.142 15.083 -7.566 1.00 0.00 C ATOM 285 CD ARG A 20 16.894 14.562 -6.334 1.00 0.00 C ATOM 286 NE ARG A 20 15.999 13.800 -5.439 1.00 0.00 N ATOM 287 CZ ARG A 20 15.064 14.311 -4.626 1.00 0.00 C ATOM 288 NH1 ARG A 20 14.932 15.627 -4.503 1.00 0.00 N ATOM 289 NH2 ARG A 20 14.249 13.512 -3.945 1.00 0.00 N ATOM 0 H ARG A 20 18.150 17.929 -9.473 1.00 0.00 H new ATOM 0 HA ARG A 20 18.960 15.919 -7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.859 17.100 -7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 20 16.248 16.496 -9.173 1.00 0.00 H new ATOM 0 HG2 ARG A 20 15.153 15.421 -7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.994 14.257 -8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 20 17.720 13.926 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.328 15.400 -5.789 1.00 0.00 H new ATOM 0 HE ARG A 20 16.103 12.785 -5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.543 16.252 -5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.219 16.012 -3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.332 12.500 -4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.541 13.911 -3.329 1.00 0.00 H new ATOM 303 N ALA A 21 17.731 14.397 -10.554 1.00 0.00 N ATOM 304 CA ALA A 21 17.782 13.138 -11.276 1.00 0.00 C ATOM 305 C ALA A 21 18.926 13.106 -12.289 1.00 0.00 C ATOM 306 O ALA A 21 19.303 12.042 -12.776 1.00 0.00 O ATOM 307 CB ALA A 21 16.452 12.948 -11.993 1.00 0.00 C ATOM 0 H ALA A 21 17.102 15.086 -10.967 1.00 0.00 H new ATOM 0 HA ALA A 21 17.961 12.332 -10.565 1.00 0.00 H new ATOM 0 HB1 ALA A 21 16.466 12.007 -12.543 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.644 12.928 -11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.292 13.772 -12.688 1.00 0.00 H new ATOM 313 N LYS A 22 19.480 14.261 -12.660 1.00 0.00 N ATOM 314 CA LYS A 22 20.588 14.324 -13.603 1.00 0.00 C ATOM 315 C LYS A 22 21.803 13.620 -13.022 1.00 0.00 C ATOM 316 O LYS A 22 22.528 12.948 -13.754 1.00 0.00 O ATOM 317 CB LYS A 22 20.885 15.766 -13.991 1.00 0.00 C ATOM 318 CG LYS A 22 21.283 15.792 -15.470 1.00 0.00 C ATOM 319 CD LYS A 22 21.453 17.234 -15.927 1.00 0.00 C ATOM 320 CE LYS A 22 21.506 17.381 -17.454 1.00 0.00 C ATOM 321 NZ LYS A 22 22.579 16.589 -18.091 1.00 0.00 N ATOM 0 H LYS A 22 19.173 15.171 -12.316 1.00 0.00 H new ATOM 0 HA LYS A 22 20.312 13.803 -14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 22 20.010 16.393 -13.822 1.00 0.00 H new ATOM 0 HB3 LYS A 22 21.689 16.168 -13.374 1.00 0.00 H new ATOM 0 HG2 LYS A 22 22.212 15.241 -15.617 1.00 0.00 H new ATOM 0 HG3 LYS A 22 20.520 15.297 -16.071 1.00 0.00 H new ATOM 0 HD2 LYS A 22 20.628 17.831 -15.539 1.00 0.00 H new ATOM 0 HD3 LYS A 22 22.369 17.639 -15.497 1.00 0.00 H new ATOM 0 HE2 LYS A 22 20.546 17.079 -17.873 1.00 0.00 H new ATOM 0 HE3 LYS A 22 21.646 18.433 -17.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 22.566 16.750 -19.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.500 16.880 -17.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 22.427 15.579 -17.897 1.00 0.00 H new ATOM 335 N GLU A 23 22.018 13.761 -11.716 1.00 0.00 N ATOM 336 CA GLU A 23 23.143 13.138 -11.034 1.00 0.00 C ATOM 337 C GLU A 23 22.884 11.674 -10.680 1.00 0.00 C ATOM 338 O GLU A 23 23.866 10.959 -10.474 1.00 0.00 O ATOM 339 CB GLU A 23 23.626 13.994 -9.849 1.00 0.00 C ATOM 340 CG GLU A 23 22.590 14.311 -8.763 1.00 0.00 C ATOM 341 CD GLU A 23 22.442 13.264 -7.657 1.00 0.00 C ATOM 342 OE1 GLU A 23 22.649 12.053 -7.887 1.00 0.00 O ATOM 343 OE2 GLU A 23 22.112 13.682 -6.524 1.00 0.00 O ATOM 0 H GLU A 23 21.416 14.311 -11.103 1.00 0.00 H new ATOM 0 HA GLU A 23 23.974 13.104 -11.738 1.00 0.00 H new ATOM 0 HB2 GLU A 23 24.466 13.482 -9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.006 14.937 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.854 15.263 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 23 21.620 14.446 -9.241 1.00 0.00 H new ATOM 350 N VAL A 24 21.629 11.195 -10.686 1.00 0.00 N ATOM 351 CA VAL A 24 21.286 9.800 -10.370 1.00 0.00 C ATOM 352 C VAL A 24 22.082 8.851 -11.277 1.00 0.00 C ATOM 353 O VAL A 24 22.546 7.792 -10.848 1.00 0.00 O ATOM 354 CB VAL A 24 19.749 9.595 -10.404 1.00 0.00 C ATOM 355 CG1 VAL A 24 19.315 8.122 -10.318 1.00 0.00 C ATOM 356 CG2 VAL A 24 19.088 10.301 -9.214 1.00 0.00 C ATOM 0 H VAL A 24 20.818 11.771 -10.912 1.00 0.00 H new ATOM 0 HA VAL A 24 21.581 9.556 -9.350 1.00 0.00 H new ATOM 0 HB VAL A 24 19.437 10.006 -11.364 1.00 0.00 H new ATOM 0 HG11 VAL A 24 18.227 8.061 -10.348 1.00 0.00 H new ATOM 0 HG12 VAL A 24 19.733 7.570 -11.160 1.00 0.00 H new ATOM 0 HG13 VAL A 24 19.677 7.690 -9.385 1.00 0.00 H new ATOM 0 HG21 VAL A 24 18.010 10.147 -9.253 1.00 0.00 H new ATOM 0 HG22 VAL A 24 19.480 9.890 -8.284 1.00 0.00 H new ATOM 0 HG23 VAL A 24 19.304 11.368 -9.258 1.00 0.00 H new ATOM 366 N GLN A 25 22.344 9.305 -12.499 1.00 0.00 N ATOM 367 CA GLN A 25 23.077 8.640 -13.562 1.00 0.00 C ATOM 368 C GLN A 25 24.550 8.374 -13.207 1.00 0.00 C ATOM 369 O GLN A 25 25.185 7.531 -13.837 1.00 0.00 O ATOM 370 CB GLN A 25 22.976 9.535 -14.810 1.00 0.00 C ATOM 371 CG GLN A 25 21.510 9.855 -15.165 1.00 0.00 C ATOM 372 CD GLN A 25 21.396 10.725 -16.409 1.00 0.00 C ATOM 373 OE1 GLN A 25 20.946 10.280 -17.460 1.00 0.00 O ATOM 374 NE2 GLN A 25 21.785 11.991 -16.337 1.00 0.00 N ATOM 0 H GLN A 25 22.019 10.227 -12.792 1.00 0.00 H new ATOM 0 HA GLN A 25 22.638 7.657 -13.734 1.00 0.00 H new ATOM 0 HB2 GLN A 25 23.520 10.464 -14.637 1.00 0.00 H new ATOM 0 HB3 GLN A 25 23.455 9.038 -15.654 1.00 0.00 H new ATOM 0 HG2 GLN A 25 20.965 8.924 -15.323 1.00 0.00 H new ATOM 0 HG3 GLN A 25 21.037 10.362 -14.324 1.00 0.00 H new ATOM 0 HE21 GLN A 25 22.159 12.361 -15.463 1.00 0.00 H new ATOM 0 HE22 GLN A 25 21.710 12.595 -17.156 1.00 0.00 H new ATOM 383 N LYS A 26 25.121 9.095 -12.235 1.00 0.00 N ATOM 384 CA LYS A 26 26.516 8.946 -11.800 1.00 0.00 C ATOM 385 C LYS A 26 26.649 8.100 -10.543 1.00 0.00 C ATOM 386 O LYS A 26 27.725 7.559 -10.283 1.00 0.00 O ATOM 387 CB LYS A 26 27.109 10.314 -11.455 1.00 0.00 C ATOM 388 CG LYS A 26 27.160 11.311 -12.619 1.00 0.00 C ATOM 389 CD LYS A 26 27.863 12.588 -12.144 1.00 0.00 C ATOM 390 CE LYS A 26 26.950 13.436 -11.244 1.00 0.00 C ATOM 391 NZ LYS A 26 27.698 14.150 -10.185 1.00 0.00 N ATOM 0 H LYS A 26 24.616 9.814 -11.717 1.00 0.00 H new ATOM 0 HA LYS A 26 27.036 8.465 -12.628 1.00 0.00 H new ATOM 0 HB2 LYS A 26 26.525 10.753 -10.646 1.00 0.00 H new ATOM 0 HB3 LYS A 26 28.121 10.169 -11.076 1.00 0.00 H new ATOM 0 HG2 LYS A 26 27.695 10.878 -13.464 1.00 0.00 H new ATOM 0 HG3 LYS A 26 26.152 11.541 -12.964 1.00 0.00 H new ATOM 0 HD2 LYS A 26 28.769 12.324 -11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 26 28.172 13.177 -13.008 1.00 0.00 H new ATOM 0 HE2 LYS A 26 26.414 14.161 -11.857 1.00 0.00 H new ATOM 0 HE3 LYS A 26 26.201 12.792 -10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 27.036 14.706 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 28.189 13.460 -9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 28.395 14.786 -10.621 1.00 0.00 H new ATOM 405 N GLN A 27 25.576 7.984 -9.759 1.00 0.00 N ATOM 406 CA GLN A 27 25.570 7.223 -8.509 1.00 0.00 C ATOM 407 C GLN A 27 25.856 5.735 -8.692 1.00 0.00 C ATOM 408 O GLN A 27 26.065 5.043 -7.704 1.00 0.00 O ATOM 409 CB GLN A 27 24.275 7.452 -7.717 1.00 0.00 C ATOM 410 CG GLN A 27 23.913 8.935 -7.563 1.00 0.00 C ATOM 411 CD GLN A 27 25.092 9.829 -7.176 1.00 0.00 C ATOM 412 OE1 GLN A 27 25.824 9.551 -6.233 1.00 0.00 O ATOM 413 NE2 GLN A 27 25.305 10.906 -7.907 1.00 0.00 N ATOM 0 H GLN A 27 24.679 8.419 -9.976 1.00 0.00 H new ATOM 0 HA GLN A 27 26.403 7.613 -7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 27 23.456 6.935 -8.216 1.00 0.00 H new ATOM 0 HB3 GLN A 27 24.378 7.006 -6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 27 23.491 9.294 -8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 27 23.134 9.031 -6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 27 24.686 11.123 -8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 27 26.089 11.522 -7.691 1.00 0.00 H new ATOM 422 N LEU A 28 25.925 5.254 -9.936 1.00 0.00 N ATOM 423 CA LEU A 28 26.214 3.871 -10.295 1.00 0.00 C ATOM 424 C LEU A 28 27.478 3.339 -9.612 1.00 0.00 C ATOM 425 O LEU A 28 27.587 2.135 -9.419 1.00 0.00 O ATOM 426 CB LEU A 28 26.405 3.788 -11.821 1.00 0.00 C ATOM 427 CG LEU A 28 25.152 4.081 -12.666 1.00 0.00 C ATOM 428 CD1 LEU A 28 25.500 3.943 -14.148 1.00 0.00 C ATOM 429 CD2 LEU A 28 23.990 3.153 -12.295 1.00 0.00 C ATOM 0 H LEU A 28 25.774 5.846 -10.752 1.00 0.00 H new ATOM 0 HA LEU A 28 25.376 3.260 -9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 28 27.188 4.489 -12.110 1.00 0.00 H new ATOM 0 HB3 LEU A 28 26.764 2.789 -12.070 1.00 0.00 H new ATOM 0 HG LEU A 28 24.826 5.101 -12.461 1.00 0.00 H new ATOM 0 HD11 LEU A 28 24.615 4.150 -14.750 1.00 0.00 H new ATOM 0 HD12 LEU A 28 26.287 4.652 -14.404 1.00 0.00 H new ATOM 0 HD13 LEU A 28 25.846 2.929 -14.348 1.00 0.00 H new ATOM 0 HD21 LEU A 28 23.124 3.390 -12.912 1.00 0.00 H new ATOM 0 HD22 LEU A 28 24.284 2.117 -12.464 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.735 3.291 -11.244 1.00 0.00 H new ATOM 441 N ALA A 29 28.406 4.227 -9.237 1.00 0.00 N ATOM 442 CA ALA A 29 29.668 3.917 -8.578 1.00 0.00 C ATOM 443 C ALA A 29 29.813 4.629 -7.223 1.00 0.00 C ATOM 444 O ALA A 29 30.936 4.863 -6.760 1.00 0.00 O ATOM 445 CB ALA A 29 30.803 4.268 -9.549 1.00 0.00 C ATOM 0 H ALA A 29 28.286 5.228 -9.395 1.00 0.00 H new ATOM 0 HA ALA A 29 29.706 2.854 -8.339 1.00 0.00 H new ATOM 0 HB1 ALA A 29 31.763 4.046 -9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 29 30.698 3.679 -10.460 1.00 0.00 H new ATOM 0 HB3 ALA A 29 30.756 5.329 -9.795 1.00 0.00 H new ATOM 451 N ARG A 30 28.706 5.037 -6.596 1.00 0.00 N ATOM 452 CA ARG A 30 28.702 5.739 -5.308 1.00 0.00 C ATOM 453 C ARG A 30 27.506 5.322 -4.447 1.00 0.00 C ATOM 454 O ARG A 30 26.980 4.231 -4.650 1.00 0.00 O ATOM 455 CB ARG A 30 28.808 7.262 -5.552 1.00 0.00 C ATOM 456 CG ARG A 30 29.687 7.952 -4.496 1.00 0.00 C ATOM 457 CD ARG A 30 31.170 7.604 -4.680 1.00 0.00 C ATOM 458 NE ARG A 30 31.985 8.083 -3.556 1.00 0.00 N ATOM 459 CZ ARG A 30 33.268 7.780 -3.341 1.00 0.00 C ATOM 460 NH1 ARG A 30 33.947 7.035 -4.215 1.00 0.00 N ATOM 461 NH2 ARG A 30 33.862 8.245 -2.249 1.00 0.00 N ATOM 0 H ARG A 30 27.771 4.886 -6.975 1.00 0.00 H new ATOM 0 HA ARG A 30 29.576 5.450 -4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 30 29.223 7.443 -6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.811 7.702 -5.538 1.00 0.00 H new ATOM 0 HG2 ARG A 30 29.555 9.032 -4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 30 29.363 7.651 -3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 30 31.281 6.524 -4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 30 31.535 8.045 -5.608 1.00 0.00 H new ATOM 0 HE ARG A 30 31.532 8.700 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 30 33.487 6.691 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 30 34.926 6.810 -4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 30 33.339 8.823 -1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 30 34.841 8.024 -2.068 1.00 0.00 H new ATOM 475 N MET A 31 27.155 6.118 -3.433 1.00 0.00 N ATOM 476 CA MET A 31 26.054 5.867 -2.513 1.00 0.00 C ATOM 477 C MET A 31 25.345 7.188 -2.230 1.00 0.00 C ATOM 478 O MET A 31 25.929 8.090 -1.624 1.00 0.00 O ATOM 479 CB MET A 31 26.541 5.166 -1.234 1.00 0.00 C ATOM 480 CG MET A 31 27.707 5.848 -0.493 1.00 0.00 C ATOM 481 SD MET A 31 28.476 4.877 0.837 1.00 0.00 S ATOM 482 CE MET A 31 29.308 3.595 -0.135 1.00 0.00 C ATOM 0 H MET A 31 27.651 6.985 -3.227 1.00 0.00 H new ATOM 0 HA MET A 31 25.338 5.182 -2.967 1.00 0.00 H new ATOM 0 HB2 MET A 31 25.699 5.082 -0.547 1.00 0.00 H new ATOM 0 HB3 MET A 31 26.844 4.151 -1.492 1.00 0.00 H new ATOM 0 HG2 MET A 31 28.476 6.103 -1.222 1.00 0.00 H new ATOM 0 HG3 MET A 31 27.345 6.785 -0.070 1.00 0.00 H new ATOM 0 HE1 MET A 31 30.011 3.056 0.500 1.00 0.00 H new ATOM 0 HE2 MET A 31 28.567 2.899 -0.529 1.00 0.00 H new ATOM 0 HE3 MET A 31 29.847 4.058 -0.962 1.00 0.00 H new ATOM 492 N THR A 32 24.121 7.324 -2.731 1.00 0.00 N ATOM 493 CA THR A 32 23.275 8.497 -2.598 1.00 0.00 C ATOM 494 C THR A 32 21.817 8.034 -2.676 1.00 0.00 C ATOM 495 O THR A 32 21.361 7.566 -3.725 1.00 0.00 O ATOM 496 CB THR A 32 23.595 9.519 -3.708 1.00 0.00 C ATOM 497 OG1 THR A 32 24.965 9.877 -3.738 1.00 0.00 O ATOM 498 CG2 THR A 32 22.797 10.813 -3.536 1.00 0.00 C ATOM 0 H THR A 32 23.674 6.580 -3.267 1.00 0.00 H new ATOM 0 HA THR A 32 23.454 8.992 -1.644 1.00 0.00 H new ATOM 0 HB THR A 32 23.322 9.019 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 32 25.379 9.519 -4.551 1.00 0.00 H new ATOM 0 HG21 THR A 32 23.051 11.506 -4.338 1.00 0.00 H new ATOM 0 HG22 THR A 32 21.731 10.590 -3.573 1.00 0.00 H new ATOM 0 HG23 THR A 32 23.040 11.265 -2.574 1.00 0.00 H new ATOM 506 N ARG A 33 21.102 8.111 -1.555 1.00 0.00 N ATOM 507 CA ARG A 33 19.697 7.736 -1.450 1.00 0.00 C ATOM 508 C ARG A 33 18.878 8.725 -2.268 1.00 0.00 C ATOM 509 O ARG A 33 18.922 9.920 -1.977 1.00 0.00 O ATOM 510 CB ARG A 33 19.275 7.774 0.021 1.00 0.00 C ATOM 511 CG ARG A 33 19.602 6.454 0.728 1.00 0.00 C ATOM 512 CD ARG A 33 19.564 6.587 2.252 1.00 0.00 C ATOM 513 NE ARG A 33 18.276 7.087 2.757 1.00 0.00 N ATOM 514 CZ ARG A 33 17.942 7.200 4.047 1.00 0.00 C ATOM 515 NH1 ARG A 33 18.777 6.785 4.994 1.00 0.00 N ATOM 516 NH2 ARG A 33 16.772 7.734 4.372 1.00 0.00 N ATOM 0 H ARG A 33 21.495 8.444 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 33 19.535 6.728 -1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 33 19.783 8.595 0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.205 7.971 0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.890 5.690 0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 33 20.591 6.114 0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 33 19.770 5.615 2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.359 7.261 2.572 1.00 0.00 H new ATOM 0 HE ARG A 33 17.581 7.371 2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 33 19.677 6.378 4.738 1.00 0.00 H new ATOM 0 HH12 ARG A 33 18.518 6.873 5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.137 8.054 3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.508 7.825 5.353 1.00 0.00 H new ATOM 530 N CYS A 34 18.175 8.247 -3.297 1.00 0.00 N ATOM 531 CA CYS A 34 17.337 9.059 -4.168 1.00 0.00 C ATOM 532 C CYS A 34 16.401 8.143 -4.960 1.00 0.00 C ATOM 533 O CYS A 34 15.201 8.211 -4.690 1.00 0.00 O ATOM 534 CB CYS A 34 18.175 9.991 -5.049 1.00 0.00 C ATOM 535 SG CYS A 34 17.149 10.901 -6.236 1.00 0.00 S ATOM 0 H CYS A 34 18.176 7.259 -3.550 1.00 0.00 H new ATOM 0 HA CYS A 34 16.716 9.724 -3.568 1.00 0.00 H new ATOM 0 HB2 CYS A 34 18.715 10.698 -4.419 1.00 0.00 H new ATOM 0 HB3 CYS A 34 18.922 9.408 -5.587 1.00 0.00 H new ATOM 0 HG CYS A 34 17.903 11.677 -6.956 1.00 0.00 H new ATOM 541 N PRO A 35 16.883 7.262 -5.862 1.00 0.00 N ATOM 542 CA PRO A 35 16.025 6.364 -6.634 1.00 0.00 C ATOM 543 C PRO A 35 15.194 5.422 -5.755 1.00 0.00 C ATOM 544 O PRO A 35 14.187 4.897 -6.230 1.00 0.00 O ATOM 545 CB PRO A 35 16.949 5.619 -7.599 1.00 0.00 C ATOM 546 CG PRO A 35 18.324 5.719 -6.961 1.00 0.00 C ATOM 547 CD PRO A 35 18.265 7.080 -6.283 1.00 0.00 C ATOM 0 HA PRO A 35 15.271 6.930 -7.181 1.00 0.00 H new ATOM 0 HB2 PRO A 35 16.642 4.580 -7.720 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.937 6.073 -8.590 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.501 4.915 -6.246 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.122 5.667 -7.702 1.00 0.00 H new ATOM 0 HD2 PRO A 35 18.941 7.119 -5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.571 7.870 -6.968 1.00 0.00 H new ATOM 555 N GLU A 36 15.548 5.273 -4.471 1.00 0.00 N ATOM 556 CA GLU A 36 14.846 4.446 -3.497 1.00 0.00 C ATOM 557 C GLU A 36 13.389 4.888 -3.329 1.00 0.00 C ATOM 558 O GLU A 36 12.582 4.117 -2.798 1.00 0.00 O ATOM 559 CB GLU A 36 15.551 4.516 -2.135 1.00 0.00 C ATOM 560 CG GLU A 36 16.518 3.347 -1.944 1.00 0.00 C ATOM 561 CD GLU A 36 16.921 3.202 -0.483 1.00 0.00 C ATOM 562 OE1 GLU A 36 16.045 3.103 0.407 1.00 0.00 O ATOM 563 OE2 GLU A 36 18.133 3.174 -0.176 1.00 0.00 O ATOM 0 H GLU A 36 16.361 5.745 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 36 14.858 3.422 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.095 5.457 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.807 4.508 -1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.051 2.425 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.407 3.502 -2.556 1.00 0.00 H new ATOM 570 N GLN A 37 13.056 6.110 -3.768 1.00 0.00 N ATOM 571 CA GLN A 37 11.701 6.671 -3.713 1.00 0.00 C ATOM 572 C GLN A 37 10.675 5.671 -4.262 1.00 0.00 C ATOM 573 O GLN A 37 9.571 5.556 -3.729 1.00 0.00 O ATOM 574 CB GLN A 37 11.658 7.950 -4.567 1.00 0.00 C ATOM 575 CG GLN A 37 11.274 9.194 -3.766 1.00 0.00 C ATOM 576 CD GLN A 37 11.384 10.466 -4.616 1.00 0.00 C ATOM 577 OE1 GLN A 37 11.701 10.429 -5.803 1.00 0.00 O ATOM 578 NE2 GLN A 37 11.242 11.634 -4.022 1.00 0.00 N ATOM 0 H GLN A 37 13.736 6.749 -4.180 1.00 0.00 H new ATOM 0 HA GLN A 37 11.453 6.892 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.635 8.107 -5.024 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.944 7.813 -5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.254 9.089 -3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.922 9.281 -2.894 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.979 11.677 -3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.395 12.495 -4.547 1.00 0.00 H new ATOM 587 N GLU A 38 11.075 4.948 -5.310 1.00 0.00 N ATOM 588 CA GLU A 38 10.365 3.922 -6.059 1.00 0.00 C ATOM 589 C GLU A 38 9.494 3.011 -5.191 1.00 0.00 C ATOM 590 O GLU A 38 8.342 2.774 -5.525 1.00 0.00 O ATOM 591 CB GLU A 38 11.450 3.152 -6.832 1.00 0.00 C ATOM 592 CG GLU A 38 11.098 1.749 -7.337 1.00 0.00 C ATOM 593 CD GLU A 38 9.838 1.663 -8.194 1.00 0.00 C ATOM 594 OE1 GLU A 38 9.348 2.706 -8.685 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.376 0.515 -8.368 1.00 0.00 O ATOM 0 H GLU A 38 12.010 5.087 -5.693 1.00 0.00 H new ATOM 0 HA GLU A 38 9.639 4.377 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.743 3.755 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.326 3.068 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.939 1.367 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.979 1.090 -6.477 1.00 0.00 H new ATOM 602 N LEU A 39 9.994 2.523 -4.056 1.00 0.00 N ATOM 603 CA LEU A 39 9.241 1.632 -3.180 1.00 0.00 C ATOM 604 C LEU A 39 7.962 2.292 -2.683 1.00 0.00 C ATOM 605 O LEU A 39 6.927 1.645 -2.530 1.00 0.00 O ATOM 606 CB LEU A 39 10.102 1.258 -1.961 1.00 0.00 C ATOM 607 CG LEU A 39 11.180 0.187 -2.182 1.00 0.00 C ATOM 608 CD1 LEU A 39 10.563 -1.193 -2.453 1.00 0.00 C ATOM 609 CD2 LEU A 39 12.202 0.531 -3.273 1.00 0.00 C ATOM 0 H LEU A 39 10.933 2.736 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 39 8.980 0.744 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.590 2.163 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.438 0.914 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 39 11.732 0.158 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.358 -1.924 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.952 -1.492 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.940 -1.144 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.926 -0.279 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.687 0.664 -4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.720 1.453 -3.009 1.00 0.00 H new ATOM 621 N ARG A 40 8.046 3.583 -2.358 1.00 0.00 N ATOM 622 CA ARG A 40 6.894 4.314 -1.854 1.00 0.00 C ATOM 623 C ARG A 40 5.975 4.663 -3.012 1.00 0.00 C ATOM 624 O ARG A 40 4.764 4.669 -2.813 1.00 0.00 O ATOM 625 CB ARG A 40 7.330 5.530 -1.026 1.00 0.00 C ATOM 626 CG ARG A 40 8.498 5.239 -0.060 1.00 0.00 C ATOM 627 CD ARG A 40 8.383 3.950 0.787 1.00 0.00 C ATOM 628 NE ARG A 40 7.183 3.877 1.644 1.00 0.00 N ATOM 629 CZ ARG A 40 6.856 4.667 2.670 1.00 0.00 C ATOM 630 NH1 ARG A 40 7.664 5.661 3.031 1.00 0.00 N ATOM 631 NH2 ARG A 40 5.717 4.466 3.324 1.00 0.00 N ATOM 0 H ARG A 40 8.898 4.138 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 40 6.325 3.687 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.622 6.333 -1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.477 5.892 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.418 5.185 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.600 6.086 0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.386 3.090 0.117 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.268 3.866 1.418 1.00 0.00 H new ATOM 0 HE ARG A 40 6.522 3.131 1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.535 5.820 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.413 6.263 3.815 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.094 3.709 3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.466 5.068 4.108 1.00 0.00 H new ATOM 645 N LEU A 41 6.536 4.935 -4.197 1.00 0.00 N ATOM 646 CA LEU A 41 5.758 5.247 -5.390 1.00 0.00 C ATOM 647 C LEU A 41 4.906 4.018 -5.700 1.00 0.00 C ATOM 648 O LEU A 41 3.691 4.116 -5.826 1.00 0.00 O ATOM 649 CB LEU A 41 6.648 5.598 -6.590 1.00 0.00 C ATOM 650 CG LEU A 41 7.544 6.835 -6.419 1.00 0.00 C ATOM 651 CD1 LEU A 41 8.319 7.085 -7.717 1.00 0.00 C ATOM 652 CD2 LEU A 41 6.753 8.088 -6.034 1.00 0.00 C ATOM 0 H LEU A 41 7.544 4.943 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 41 5.140 6.126 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.283 4.740 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.009 5.753 -7.459 1.00 0.00 H new ATOM 0 HG LEU A 41 8.233 6.630 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.955 7.962 -7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.937 6.217 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.617 7.254 -8.533 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.436 8.931 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.022 8.310 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.237 7.917 -5.089 1.00 0.00 H new ATOM 664 N GLN A 42 5.536 2.844 -5.728 1.00 0.00 N ATOM 665 CA GLN A 42 4.873 1.587 -5.992 1.00 0.00 C ATOM 666 C GLN A 42 3.765 1.347 -4.978 1.00 0.00 C ATOM 667 O GLN A 42 2.655 0.999 -5.385 1.00 0.00 O ATOM 668 CB GLN A 42 5.903 0.449 -6.036 1.00 0.00 C ATOM 669 CG GLN A 42 6.420 0.233 -7.462 1.00 0.00 C ATOM 670 CD GLN A 42 5.369 -0.399 -8.371 1.00 0.00 C ATOM 671 OE1 GLN A 42 5.213 -1.617 -8.425 1.00 0.00 O ATOM 672 NE2 GLN A 42 4.597 0.401 -9.080 1.00 0.00 N ATOM 0 H GLN A 42 6.538 2.748 -5.564 1.00 0.00 H new ATOM 0 HA GLN A 42 4.395 1.622 -6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.737 0.682 -5.374 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.450 -0.471 -5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.732 1.189 -7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.303 -0.405 -7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.729 1.411 -9.033 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.867 0.010 -9.676 1.00 0.00 H new ATOM 681 N ARG A 43 4.013 1.560 -3.679 1.00 0.00 N ATOM 682 CA ARG A 43 2.965 1.350 -2.685 1.00 0.00 C ATOM 683 C ARG A 43 1.799 2.312 -2.932 1.00 0.00 C ATOM 684 O ARG A 43 0.654 1.890 -2.836 1.00 0.00 O ATOM 685 CB ARG A 43 3.528 1.325 -1.243 1.00 0.00 C ATOM 686 CG ARG A 43 3.294 2.583 -0.395 1.00 0.00 C ATOM 687 CD ARG A 43 1.886 2.620 0.230 1.00 0.00 C ATOM 688 NE ARG A 43 1.302 3.967 0.188 1.00 0.00 N ATOM 689 CZ ARG A 43 1.801 5.098 0.694 1.00 0.00 C ATOM 690 NH1 ARG A 43 2.835 5.106 1.529 1.00 0.00 N ATOM 691 NH2 ARG A 43 1.250 6.237 0.324 1.00 0.00 N ATOM 0 H ARG A 43 4.909 1.870 -3.303 1.00 0.00 H new ATOM 0 HA ARG A 43 2.542 0.352 -2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.090 0.475 -0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.602 1.146 -1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.041 2.627 0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.436 3.467 -1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.235 1.926 -0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.939 2.280 1.264 1.00 0.00 H new ATOM 0 HE ARG A 43 0.403 4.049 -0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.275 4.228 1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.188 5.990 1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.467 6.236 -0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.607 7.119 0.691 1.00 0.00 H new ATOM 705 N LEU A 44 2.035 3.583 -3.274 1.00 0.00 N ATOM 706 CA LEU A 44 0.930 4.514 -3.522 1.00 0.00 C ATOM 707 C LEU A 44 0.233 4.266 -4.863 1.00 0.00 C ATOM 708 O LEU A 44 -0.865 4.781 -5.068 1.00 0.00 O ATOM 709 CB LEU A 44 1.335 5.979 -3.280 1.00 0.00 C ATOM 710 CG LEU A 44 2.369 6.619 -4.220 1.00 0.00 C ATOM 711 CD1 LEU A 44 1.833 6.974 -5.612 1.00 0.00 C ATOM 712 CD2 LEU A 44 2.925 7.886 -3.564 1.00 0.00 C ATOM 0 H LEU A 44 2.966 3.986 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 44 0.165 4.303 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.430 6.584 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.721 6.053 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 44 3.142 5.866 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.631 7.420 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.475 6.070 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.012 7.684 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.660 8.346 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.112 8.588 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.400 7.627 -2.618 1.00 0.00 H new ATOM 724 N GLU A 45 0.820 3.467 -5.754 1.00 0.00 N ATOM 725 CA GLU A 45 0.300 3.109 -7.062 1.00 0.00 C ATOM 726 C GLU A 45 -0.420 1.762 -7.006 1.00 0.00 C ATOM 727 O GLU A 45 -1.043 1.371 -7.993 1.00 0.00 O ATOM 728 CB GLU A 45 1.440 3.056 -8.092 1.00 0.00 C ATOM 729 CG GLU A 45 1.789 4.444 -8.657 1.00 0.00 C ATOM 730 CD GLU A 45 1.848 4.376 -10.181 1.00 0.00 C ATOM 731 OE1 GLU A 45 2.929 4.083 -10.748 1.00 0.00 O ATOM 732 OE2 GLU A 45 0.779 4.523 -10.824 1.00 0.00 O ATOM 0 H GLU A 45 1.722 3.030 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.416 3.872 -7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.326 2.624 -7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.155 2.395 -8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.042 5.174 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.747 4.779 -8.260 1.00 0.00 H new ATOM 739 N ARG A 46 -0.378 1.030 -5.885 1.00 0.00 N ATOM 740 CA ARG A 46 -1.060 -0.264 -5.774 1.00 0.00 C ATOM 741 C ARG A 46 -2.549 -0.096 -5.453 1.00 0.00 C ATOM 742 O ARG A 46 -3.241 -1.080 -5.204 1.00 0.00 O ATOM 743 CB ARG A 46 -0.286 -1.239 -4.878 1.00 0.00 C ATOM 744 CG ARG A 46 -0.638 -1.156 -3.399 1.00 0.00 C ATOM 745 CD ARG A 46 0.202 -2.076 -2.519 1.00 0.00 C ATOM 746 NE ARG A 46 1.657 -2.056 -2.768 1.00 0.00 N ATOM 747 CZ ARG A 46 2.619 -2.234 -1.852 1.00 0.00 C ATOM 748 NH1 ARG A 46 2.340 -2.443 -0.571 1.00 0.00 N ATOM 749 NH2 ARG A 46 3.888 -2.192 -2.226 1.00 0.00 N ATOM 0 H ARG A 46 0.122 1.313 -5.042 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.057 -0.748 -6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.470 -2.256 -5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.781 -1.051 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.511 -0.128 -3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.691 -1.406 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.028 -1.808 -1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.155 -3.097 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 46 1.959 -1.891 -3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.369 -2.472 -0.259 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.096 -2.575 0.101 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.126 -2.025 -3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.628 -2.326 -1.537 1.00 0.00 H new ATOM 763 N LEU A 47 -3.085 1.130 -5.490 1.00 0.00 N ATOM 764 CA LEU A 47 -4.503 1.372 -5.228 1.00 0.00 C ATOM 765 C LEU A 47 -5.413 0.438 -6.042 1.00 0.00 C ATOM 766 O LEU A 47 -6.341 -0.123 -5.446 1.00 0.00 O ATOM 767 CB LEU A 47 -4.928 2.830 -5.483 1.00 0.00 C ATOM 768 CG LEU A 47 -4.225 3.898 -4.636 1.00 0.00 C ATOM 769 CD1 LEU A 47 -4.967 5.228 -4.817 1.00 0.00 C ATOM 770 CD2 LEU A 47 -4.164 3.499 -3.161 1.00 0.00 C ATOM 0 H LEU A 47 -2.551 1.973 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.627 1.161 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.755 3.058 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.002 2.909 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.193 4.001 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.480 6.000 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.948 5.515 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.001 5.115 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.659 4.280 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.176 3.368 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.614 2.564 -3.060 1.00 0.00 H new ATOM 782 N PRO A 48 -5.199 0.237 -7.363 1.00 0.00 N ATOM 783 CA PRO A 48 -6.056 -0.644 -8.139 1.00 0.00 C ATOM 784 C PRO A 48 -5.765 -2.120 -7.858 1.00 0.00 C ATOM 785 O PRO A 48 -6.645 -2.936 -8.090 1.00 0.00 O ATOM 786 CB PRO A 48 -5.806 -0.290 -9.601 1.00 0.00 C ATOM 787 CG PRO A 48 -4.359 0.186 -9.613 1.00 0.00 C ATOM 788 CD PRO A 48 -4.165 0.802 -8.229 1.00 0.00 C ATOM 0 HA PRO A 48 -7.103 -0.504 -7.871 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.950 -1.152 -10.252 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.487 0.488 -9.947 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.668 -0.640 -9.784 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.185 0.916 -10.403 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.171 0.576 -7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.250 1.888 -8.274 1.00 0.00 H new ATOM 796 N GLU A 49 -4.569 -2.481 -7.383 1.00 0.00 N ATOM 797 CA GLU A 49 -4.189 -3.855 -7.063 1.00 0.00 C ATOM 798 C GLU A 49 -5.089 -4.325 -5.919 1.00 0.00 C ATOM 799 O GLU A 49 -5.822 -5.302 -6.061 1.00 0.00 O ATOM 800 CB GLU A 49 -2.696 -3.886 -6.686 1.00 0.00 C ATOM 801 CG GLU A 49 -2.159 -5.222 -6.169 1.00 0.00 C ATOM 802 CD GLU A 49 -2.005 -6.301 -7.240 1.00 0.00 C ATOM 803 OE1 GLU A 49 -1.634 -5.984 -8.393 1.00 0.00 O ATOM 804 OE2 GLU A 49 -2.102 -7.491 -6.871 1.00 0.00 O ATOM 0 H GLU A 49 -3.823 -1.808 -7.207 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.322 -4.527 -7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.115 -3.599 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.519 -3.127 -5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.190 -5.052 -5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.828 -5.592 -5.392 1.00 0.00 H new ATOM 811 N LEU A 50 -5.068 -3.596 -4.798 1.00 0.00 N ATOM 812 CA LEU A 50 -5.879 -3.916 -3.625 1.00 0.00 C ATOM 813 C LEU A 50 -7.356 -3.900 -4.011 1.00 0.00 C ATOM 814 O LEU A 50 -8.099 -4.798 -3.620 1.00 0.00 O ATOM 815 CB LEU A 50 -5.576 -2.940 -2.467 1.00 0.00 C ATOM 816 CG LEU A 50 -4.624 -3.485 -1.383 1.00 0.00 C ATOM 817 CD1 LEU A 50 -5.293 -4.568 -0.527 1.00 0.00 C ATOM 818 CD2 LEU A 50 -3.312 -4.014 -1.972 1.00 0.00 C ATOM 0 H LEU A 50 -4.486 -2.766 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.628 -4.916 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.144 -2.030 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.517 -2.659 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.385 -2.638 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.588 -4.925 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.170 -4.151 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.597 -5.399 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.676 -4.386 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.527 -4.824 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.798 -3.209 -2.497 1.00 0.00 H new ATOM 830 N ALA A 51 -7.789 -2.910 -4.803 1.00 0.00 N ATOM 831 CA ALA A 51 -9.177 -2.819 -5.239 1.00 0.00 C ATOM 832 C ALA A 51 -9.560 -4.055 -6.064 1.00 0.00 C ATOM 833 O ALA A 51 -10.632 -4.631 -5.858 1.00 0.00 O ATOM 834 CB ALA A 51 -9.388 -1.540 -6.051 1.00 0.00 C ATOM 0 H ALA A 51 -7.191 -2.161 -5.153 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.822 -2.783 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.428 -1.481 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.149 -0.674 -5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.738 -1.553 -6.926 1.00 0.00 H new ATOM 840 N ARG A 52 -8.718 -4.461 -7.020 1.00 0.00 N ATOM 841 CA ARG A 52 -8.941 -5.624 -7.876 1.00 0.00 C ATOM 842 C ARG A 52 -9.075 -6.876 -7.022 1.00 0.00 C ATOM 843 O ARG A 52 -10.067 -7.596 -7.178 1.00 0.00 O ATOM 844 CB ARG A 52 -7.814 -5.785 -8.915 1.00 0.00 C ATOM 845 CG ARG A 52 -8.041 -4.905 -10.157 1.00 0.00 C ATOM 846 CD ARG A 52 -6.851 -4.922 -11.123 1.00 0.00 C ATOM 847 NE ARG A 52 -6.560 -6.283 -11.604 1.00 0.00 N ATOM 848 CZ ARG A 52 -6.033 -6.647 -12.778 1.00 0.00 C ATOM 849 NH1 ARG A 52 -5.765 -5.773 -13.743 1.00 0.00 N ATOM 850 NH2 ARG A 52 -5.772 -7.929 -12.966 1.00 0.00 N ATOM 0 H ARG A 52 -7.843 -3.977 -7.222 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.869 -5.471 -8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.860 -5.525 -8.457 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.748 -6.830 -9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.933 -5.247 -10.681 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.231 -3.880 -9.840 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.063 -4.273 -11.973 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.971 -4.516 -10.624 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.789 -7.042 -10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.961 -4.782 -13.603 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.363 -6.093 -14.624 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.973 -8.604 -12.228 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.370 -8.243 -13.849 1.00 0.00 H new ATOM 864 N VAL A 53 -8.120 -7.147 -6.132 1.00 0.00 N ATOM 865 CA VAL A 53 -8.173 -8.326 -5.277 1.00 0.00 C ATOM 866 C VAL A 53 -9.441 -8.269 -4.419 1.00 0.00 C ATOM 867 O VAL A 53 -10.149 -9.272 -4.358 1.00 0.00 O ATOM 868 CB VAL A 53 -6.872 -8.469 -4.459 1.00 0.00 C ATOM 869 CG1 VAL A 53 -6.963 -9.658 -3.492 1.00 0.00 C ATOM 870 CG2 VAL A 53 -5.679 -8.712 -5.399 1.00 0.00 C ATOM 0 H VAL A 53 -7.298 -6.561 -5.987 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.235 -9.231 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.733 -7.546 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.035 -9.739 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.795 -9.505 -2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.124 -10.576 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.767 -8.811 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.845 -9.626 -5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.579 -7.871 -6.085 1.00 0.00 H new ATOM 880 N LEU A 54 -9.786 -7.121 -3.824 1.00 0.00 N ATOM 881 CA LEU A 54 -10.985 -6.965 -2.999 1.00 0.00 C ATOM 882 C LEU A 54 -12.233 -7.398 -3.779 1.00 0.00 C ATOM 883 O LEU A 54 -13.041 -8.194 -3.292 1.00 0.00 O ATOM 884 CB LEU A 54 -11.078 -5.521 -2.484 1.00 0.00 C ATOM 885 CG LEU A 54 -12.410 -5.170 -1.796 1.00 0.00 C ATOM 886 CD1 LEU A 54 -12.808 -6.161 -0.701 1.00 0.00 C ATOM 887 CD2 LEU A 54 -12.289 -3.786 -1.162 1.00 0.00 C ATOM 0 H LEU A 54 -9.234 -6.267 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.920 -7.617 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.264 -5.347 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.926 -4.840 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.180 -5.204 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.755 -5.853 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.915 -7.156 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.037 -6.181 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.227 -3.527 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.485 -3.792 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.068 -3.050 -1.935 1.00 0.00 H new ATOM 899 N ARG A 55 -12.395 -6.912 -5.013 1.00 0.00 N ATOM 900 CA ARG A 55 -13.546 -7.289 -5.832 1.00 0.00 C ATOM 901 C ARG A 55 -13.573 -8.806 -6.012 1.00 0.00 C ATOM 902 O ARG A 55 -14.649 -9.392 -5.918 1.00 0.00 O ATOM 903 CB ARG A 55 -13.498 -6.550 -7.177 1.00 0.00 C ATOM 904 CG ARG A 55 -14.751 -6.752 -8.045 1.00 0.00 C ATOM 905 CD ARG A 55 -14.544 -6.165 -9.449 1.00 0.00 C ATOM 906 NE ARG A 55 -15.828 -5.954 -10.125 1.00 0.00 N ATOM 907 CZ ARG A 55 -16.058 -5.817 -11.435 1.00 0.00 C ATOM 908 NH1 ARG A 55 -15.091 -5.897 -12.346 1.00 0.00 N ATOM 909 NH2 ARG A 55 -17.308 -5.596 -11.809 1.00 0.00 N ATOM 0 H ARG A 55 -11.749 -6.263 -5.462 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.469 -6.996 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.366 -5.484 -6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.624 -6.887 -7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.979 -7.815 -8.121 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.608 -6.276 -7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.008 -5.219 -9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.924 -6.838 -10.041 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.648 -5.906 -9.520 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.129 -6.069 -12.055 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.312 -5.786 -13.336 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.047 -5.537 -11.108 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.532 -5.485 -12.798 1.00 0.00 H new ATOM 923 N ASN A 56 -12.418 -9.438 -6.249 1.00 0.00 N ATOM 924 CA ASN A 56 -12.302 -10.877 -6.449 1.00 0.00 C ATOM 925 C ASN A 56 -12.822 -11.665 -5.244 1.00 0.00 C ATOM 926 O ASN A 56 -13.509 -12.671 -5.426 1.00 0.00 O ATOM 927 CB ASN A 56 -10.852 -11.273 -6.806 1.00 0.00 C ATOM 928 CG ASN A 56 -10.283 -12.376 -5.915 1.00 0.00 C ATOM 929 OD1 ASN A 56 -10.432 -13.566 -6.190 1.00 0.00 O ATOM 930 ND2 ASN A 56 -9.665 -11.987 -4.818 1.00 0.00 N ATOM 0 H ASN A 56 -11.524 -8.950 -6.307 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.936 -11.141 -7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.819 -11.603 -7.844 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.215 -10.392 -6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.294 -12.680 -4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.558 -10.992 -4.619 1.00 0.00 H new ATOM 937 N VAL A 57 -12.524 -11.222 -4.023 1.00 0.00 N ATOM 938 CA VAL A 57 -12.969 -11.933 -2.838 1.00 0.00 C ATOM 939 C VAL A 57 -14.466 -11.715 -2.622 1.00 0.00 C ATOM 940 O VAL A 57 -15.187 -12.697 -2.459 1.00 0.00 O ATOM 941 CB VAL A 57 -12.019 -11.673 -1.653 1.00 0.00 C ATOM 942 CG1 VAL A 57 -11.679 -10.214 -1.344 1.00 0.00 C ATOM 943 CG2 VAL A 57 -12.509 -12.336 -0.367 1.00 0.00 C ATOM 0 H VAL A 57 -11.980 -10.380 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.893 -13.013 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.094 -12.127 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.004 -10.171 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.197 -9.761 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.594 -9.669 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.808 -12.126 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.492 -11.943 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -12.578 -13.414 -0.516 1.00 0.00 H new ATOM 953 N PHE A 58 -14.984 -10.485 -2.721 1.00 0.00 N ATOM 954 CA PHE A 58 -16.420 -10.249 -2.520 1.00 0.00 C ATOM 955 C PHE A 58 -17.277 -10.905 -3.613 1.00 0.00 C ATOM 956 O PHE A 58 -18.488 -11.077 -3.420 1.00 0.00 O ATOM 957 CB PHE A 58 -16.717 -8.747 -2.370 1.00 0.00 C ATOM 958 CG PHE A 58 -16.576 -8.242 -0.941 1.00 0.00 C ATOM 959 CD1 PHE A 58 -15.388 -8.457 -0.220 1.00 0.00 C ATOM 960 CD2 PHE A 58 -17.645 -7.578 -0.309 1.00 0.00 C ATOM 961 CE1 PHE A 58 -15.254 -8.001 1.100 1.00 0.00 C ATOM 962 CE2 PHE A 58 -17.519 -7.121 1.015 1.00 0.00 C ATOM 963 CZ PHE A 58 -16.321 -7.332 1.719 1.00 0.00 C ATOM 0 H PHE A 58 -14.441 -9.649 -2.936 1.00 0.00 H new ATOM 0 HA PHE A 58 -16.702 -10.733 -1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -16.041 -8.185 -3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.730 -8.548 -2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -14.568 -8.980 -0.689 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -18.569 -7.418 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -14.332 -8.164 1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.342 -6.608 1.490 1.00 0.00 H new ATOM 0 HZ PHE A 58 -16.222 -6.980 2.735 1.00 0.00 H new ATOM 973 N VAL A 59 -16.695 -11.245 -4.771 1.00 0.00 N ATOM 974 CA VAL A 59 -17.445 -11.900 -5.847 1.00 0.00 C ATOM 975 C VAL A 59 -17.389 -13.418 -5.621 1.00 0.00 C ATOM 976 O VAL A 59 -18.407 -14.099 -5.777 1.00 0.00 O ATOM 977 CB VAL A 59 -17.009 -11.397 -7.247 1.00 0.00 C ATOM 978 CG1 VAL A 59 -15.666 -11.914 -7.739 1.00 0.00 C ATOM 979 CG2 VAL A 59 -18.065 -11.744 -8.302 1.00 0.00 C ATOM 0 H VAL A 59 -15.712 -11.078 -4.985 1.00 0.00 H new ATOM 0 HA VAL A 59 -18.499 -11.624 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 59 -16.904 -10.320 -7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -15.457 -11.502 -8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -14.882 -11.609 -7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.695 -13.002 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -17.738 -11.382 -9.277 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.197 -12.825 -8.342 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.012 -11.272 -8.038 1.00 0.00 H new ATOM 989 N SER A 60 -16.236 -13.936 -5.186 1.00 0.00 N ATOM 990 CA SER A 60 -16.003 -15.344 -4.912 1.00 0.00 C ATOM 991 C SER A 60 -16.824 -15.789 -3.704 1.00 0.00 C ATOM 992 O SER A 60 -17.397 -16.876 -3.726 1.00 0.00 O ATOM 993 CB SER A 60 -14.498 -15.535 -4.685 1.00 0.00 C ATOM 994 OG SER A 60 -14.139 -16.856 -4.329 1.00 0.00 O ATOM 0 H SER A 60 -15.413 -13.359 -5.011 1.00 0.00 H new ATOM 0 HA SER A 60 -16.320 -15.963 -5.752 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.964 -15.255 -5.593 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.169 -14.855 -3.900 1.00 0.00 H new ATOM 0 HG SER A 60 -13.169 -16.908 -4.201 1.00 0.00 H new ATOM 1000 N GLU A 61 -16.937 -14.946 -2.673 1.00 0.00 N ATOM 1001 CA GLU A 61 -17.683 -15.254 -1.457 1.00 0.00 C ATOM 1002 C GLU A 61 -19.191 -15.370 -1.713 1.00 0.00 C ATOM 1003 O GLU A 61 -19.926 -15.788 -0.821 1.00 0.00 O ATOM 1004 CB GLU A 61 -17.412 -14.136 -0.430 1.00 0.00 C ATOM 1005 CG GLU A 61 -17.646 -14.539 1.035 1.00 0.00 C ATOM 1006 CD GLU A 61 -16.704 -15.630 1.531 1.00 0.00 C ATOM 1007 OE1 GLU A 61 -15.587 -15.302 1.999 1.00 0.00 O ATOM 1008 OE2 GLU A 61 -17.059 -16.823 1.471 1.00 0.00 O ATOM 0 H GLU A 61 -16.507 -14.021 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.350 -16.221 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.380 -13.802 -0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.050 -13.284 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.532 -13.658 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -18.675 -14.881 1.148 1.00 0.00 H new ATOM 1015 N ARG A 62 -19.690 -14.966 -2.891 1.00 0.00 N ATOM 1016 CA ARG A 62 -21.107 -15.014 -3.248 1.00 0.00 C ATOM 1017 C ARG A 62 -21.977 -14.114 -2.346 1.00 0.00 C ATOM 1018 O ARG A 62 -23.201 -14.181 -2.426 1.00 0.00 O ATOM 1019 CB ARG A 62 -21.551 -16.489 -3.303 1.00 0.00 C ATOM 1020 CG ARG A 62 -22.700 -16.767 -4.274 1.00 0.00 C ATOM 1021 CD ARG A 62 -22.258 -16.859 -5.740 1.00 0.00 C ATOM 1022 NE ARG A 62 -22.899 -17.988 -6.430 1.00 0.00 N ATOM 1023 CZ ARG A 62 -24.113 -18.058 -6.987 1.00 0.00 C ATOM 1024 NH1 ARG A 62 -24.962 -17.034 -6.967 1.00 0.00 N ATOM 1025 NH2 ARG A 62 -24.457 -19.196 -7.578 1.00 0.00 N ATOM 0 H ARG A 62 -19.103 -14.589 -3.635 1.00 0.00 H new ATOM 0 HA ARG A 62 -21.254 -14.588 -4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -20.696 -17.103 -3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -21.852 -16.803 -2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -23.186 -17.701 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -23.445 -15.978 -4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -22.505 -15.930 -6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -21.175 -16.971 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 62 -22.339 -18.838 -6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -24.695 -16.159 -6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -25.880 -17.124 -7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -23.804 -19.979 -7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -25.375 -19.287 -8.014 1.00 0.00 H new ATOM 1039 N LYS A 63 -21.394 -13.261 -1.491 1.00 0.00 N ATOM 1040 CA LYS A 63 -22.115 -12.340 -0.607 1.00 0.00 C ATOM 1041 C LYS A 63 -21.364 -11.006 -0.572 1.00 0.00 C ATOM 1042 O LYS A 63 -20.185 -10.998 -0.231 1.00 0.00 O ATOM 1043 CB LYS A 63 -22.425 -12.934 0.786 1.00 0.00 C ATOM 1044 CG LYS A 63 -21.263 -13.648 1.493 1.00 0.00 C ATOM 1045 CD LYS A 63 -21.517 -13.983 2.966 1.00 0.00 C ATOM 1046 CE LYS A 63 -22.573 -15.076 3.116 1.00 0.00 C ATOM 1047 NZ LYS A 63 -22.055 -16.431 2.823 1.00 0.00 N ATOM 0 H LYS A 63 -20.381 -13.193 -1.394 1.00 0.00 H new ATOM 0 HA LYS A 63 -23.109 -12.160 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -22.776 -12.129 1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -23.248 -13.640 0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.043 -14.571 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.374 -13.021 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -20.587 -14.308 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -21.842 -13.086 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -22.965 -15.056 4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -23.407 -14.861 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -22.818 -17.128 2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -21.705 -16.465 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -21.277 -16.654 3.476 1.00 0.00 H new ATOM 1061 N PRO A 64 -21.992 -9.873 -0.948 1.00 0.00 N ATOM 1062 CA PRO A 64 -21.354 -8.557 -0.958 1.00 0.00 C ATOM 1063 C PRO A 64 -21.323 -7.881 0.422 1.00 0.00 C ATOM 1064 O PRO A 64 -20.892 -6.729 0.518 1.00 0.00 O ATOM 1065 CB PRO A 64 -22.211 -7.726 -1.917 1.00 0.00 C ATOM 1066 CG PRO A 64 -23.611 -8.235 -1.597 1.00 0.00 C ATOM 1067 CD PRO A 64 -23.379 -9.734 -1.381 1.00 0.00 C ATOM 0 HA PRO A 64 -20.309 -8.646 -1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -22.112 -6.656 -1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -21.942 -7.896 -2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -24.023 -7.756 -0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -24.308 -8.046 -2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -24.063 -10.129 -0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -23.558 -10.292 -2.300 1.00 0.00 H new ATOM 1075 N ALA A 65 -21.835 -8.541 1.466 1.00 0.00 N ATOM 1076 CA ALA A 65 -21.881 -8.024 2.821 1.00 0.00 C ATOM 1077 C ALA A 65 -21.284 -9.075 3.747 1.00 0.00 C ATOM 1078 O ALA A 65 -21.794 -10.201 3.794 1.00 0.00 O ATOM 1079 CB ALA A 65 -23.323 -7.687 3.197 1.00 0.00 C ATOM 0 H ALA A 65 -22.238 -9.474 1.380 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.302 -7.105 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -23.352 -7.299 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -23.712 -6.935 2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.935 -8.587 3.134 1.00 0.00 H new ATOM 1085 N LEU A 66 -20.197 -8.723 4.437 1.00 0.00 N ATOM 1086 CA LEU A 66 -19.459 -9.585 5.366 1.00 0.00 C ATOM 1087 C LEU A 66 -19.297 -8.872 6.703 1.00 0.00 C ATOM 1088 O LEU A 66 -19.356 -7.645 6.742 1.00 0.00 O ATOM 1089 CB LEU A 66 -18.041 -9.887 4.834 1.00 0.00 C ATOM 1090 CG LEU A 66 -17.901 -10.281 3.353 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -16.430 -10.557 3.042 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -18.710 -11.522 2.988 1.00 0.00 C ATOM 0 H LEU A 66 -19.789 -7.791 4.361 1.00 0.00 H new ATOM 0 HA LEU A 66 -20.021 -10.513 5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -17.424 -9.005 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -17.621 -10.693 5.436 1.00 0.00 H new ATOM 0 HG LEU A 66 -18.286 -9.447 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -16.326 -10.837 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.842 -9.660 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -16.071 -11.371 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -18.571 -11.749 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -18.372 -12.366 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -19.766 -11.338 3.183 1.00 0.00 H new ATOM 1104 N THR A 67 -19.092 -9.611 7.793 1.00 0.00 N ATOM 1105 CA THR A 67 -18.892 -9.005 9.108 1.00 0.00 C ATOM 1106 C THR A 67 -17.514 -8.334 9.102 1.00 0.00 C ATOM 1107 O THR A 67 -16.634 -8.735 8.334 1.00 0.00 O ATOM 1108 CB THR A 67 -19.003 -10.081 10.201 1.00 0.00 C ATOM 1109 OG1 THR A 67 -20.102 -10.916 9.882 1.00 0.00 O ATOM 1110 CG2 THR A 67 -19.238 -9.523 11.607 1.00 0.00 C ATOM 0 H THR A 67 -19.060 -10.631 7.791 1.00 0.00 H new ATOM 0 HA THR A 67 -19.655 -8.257 9.321 1.00 0.00 H new ATOM 0 HB THR A 67 -18.050 -10.609 10.220 1.00 0.00 H new ATOM 0 HG1 THR A 67 -20.816 -10.378 9.481 1.00 0.00 H new ATOM 0 HG21 THR A 67 -19.304 -10.346 12.319 1.00 0.00 H new ATOM 0 HG22 THR A 67 -18.409 -8.871 11.883 1.00 0.00 H new ATOM 0 HG23 THR A 67 -20.168 -8.954 11.622 1.00 0.00 H new ATOM 1118 N MET A 68 -17.320 -7.339 9.967 1.00 0.00 N ATOM 1119 CA MET A 68 -16.073 -6.603 10.097 1.00 0.00 C ATOM 1120 C MET A 68 -14.916 -7.571 10.334 1.00 0.00 C ATOM 1121 O MET A 68 -13.894 -7.484 9.662 1.00 0.00 O ATOM 1122 CB MET A 68 -16.206 -5.578 11.233 1.00 0.00 C ATOM 1123 CG MET A 68 -14.914 -4.786 11.446 1.00 0.00 C ATOM 1124 SD MET A 68 -14.248 -3.981 9.965 1.00 0.00 S ATOM 1125 CE MET A 68 -15.346 -2.550 9.869 1.00 0.00 C ATOM 0 H MET A 68 -18.045 -7.019 10.609 1.00 0.00 H new ATOM 0 HA MET A 68 -15.859 -6.062 9.175 1.00 0.00 H new ATOM 0 HB2 MET A 68 -17.020 -4.889 11.006 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.472 -6.093 12.156 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.095 -4.024 12.204 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.156 -5.459 11.846 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.906 -1.797 9.215 1.00 0.00 H new ATOM 0 HE2 MET A 68 -16.312 -2.859 9.469 1.00 0.00 H new ATOM 0 HE3 MET A 68 -15.483 -2.129 10.865 1.00 0.00 H new ATOM 1135 N GLU A 69 -15.107 -8.537 11.235 1.00 0.00 N ATOM 1136 CA GLU A 69 -14.091 -9.521 11.566 1.00 0.00 C ATOM 1137 C GLU A 69 -13.625 -10.284 10.324 1.00 0.00 C ATOM 1138 O GLU A 69 -12.420 -10.462 10.135 1.00 0.00 O ATOM 1139 CB GLU A 69 -14.672 -10.475 12.612 1.00 0.00 C ATOM 1140 CG GLU A 69 -13.668 -11.567 12.984 1.00 0.00 C ATOM 1141 CD GLU A 69 -14.266 -12.515 14.020 1.00 0.00 C ATOM 1142 OE1 GLU A 69 -14.472 -12.111 15.182 1.00 0.00 O ATOM 1143 OE2 GLU A 69 -14.591 -13.680 13.694 1.00 0.00 O ATOM 0 H GLU A 69 -15.977 -8.654 11.754 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.213 -9.017 11.970 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.950 -9.914 13.504 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.583 -10.932 12.225 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.384 -12.126 12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.759 -11.114 13.380 1.00 0.00 H new ATOM 1150 N VAL A 70 -14.578 -10.713 9.491 1.00 0.00 N ATOM 1151 CA VAL A 70 -14.321 -11.465 8.276 1.00 0.00 C ATOM 1152 C VAL A 70 -13.464 -10.653 7.315 1.00 0.00 C ATOM 1153 O VAL A 70 -12.372 -11.091 6.970 1.00 0.00 O ATOM 1154 CB VAL A 70 -15.641 -11.921 7.616 1.00 0.00 C ATOM 1155 CG1 VAL A 70 -15.397 -12.724 6.330 1.00 0.00 C ATOM 1156 CG2 VAL A 70 -16.468 -12.792 8.560 1.00 0.00 C ATOM 0 H VAL A 70 -15.570 -10.539 9.654 1.00 0.00 H new ATOM 0 HA VAL A 70 -13.764 -12.364 8.540 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.183 -11.006 7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.353 -13.023 5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.855 -12.107 5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.809 -13.612 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.389 -13.094 8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.895 -13.678 8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -16.710 -12.226 9.459 1.00 0.00 H new ATOM 1166 N VAL A 71 -13.953 -9.502 6.841 1.00 0.00 N ATOM 1167 CA VAL A 71 -13.219 -8.665 5.888 1.00 0.00 C ATOM 1168 C VAL A 71 -11.808 -8.321 6.399 1.00 0.00 C ATOM 1169 O VAL A 71 -10.849 -8.288 5.614 1.00 0.00 O ATOM 1170 CB VAL A 71 -14.078 -7.431 5.509 1.00 0.00 C ATOM 1171 CG1 VAL A 71 -14.394 -6.500 6.684 1.00 0.00 C ATOM 1172 CG2 VAL A 71 -13.452 -6.594 4.392 1.00 0.00 C ATOM 0 H VAL A 71 -14.864 -9.127 7.106 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.046 -9.224 4.968 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.012 -7.874 5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.998 -5.663 6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.945 -7.051 7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.464 -6.123 7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.097 -5.744 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.474 -6.233 4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.338 -7.207 3.498 1.00 0.00 H new ATOM 1182 N CYS A 72 -11.709 -8.082 7.707 1.00 0.00 N ATOM 1183 CA CYS A 72 -10.503 -7.718 8.414 1.00 0.00 C ATOM 1184 C CYS A 72 -9.531 -8.881 8.316 1.00 0.00 C ATOM 1185 O CYS A 72 -8.550 -8.783 7.587 1.00 0.00 O ATOM 1186 CB CYS A 72 -10.870 -7.307 9.850 1.00 0.00 C ATOM 1187 SG CYS A 72 -9.439 -6.694 10.768 1.00 0.00 S ATOM 0 H CYS A 72 -12.518 -8.143 8.326 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.004 -6.853 7.977 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -11.639 -6.535 9.820 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -11.297 -8.162 10.374 1.00 0.00 H new ATOM 0 HG CYS A 72 -9.805 -6.360 11.970 1.00 0.00 H new ATOM 1193 N ALA A 73 -9.814 -9.997 8.986 1.00 0.00 N ATOM 1194 CA ALA A 73 -8.970 -11.186 8.993 1.00 0.00 C ATOM 1195 C ALA A 73 -8.588 -11.662 7.589 1.00 0.00 C ATOM 1196 O ALA A 73 -7.517 -12.236 7.376 1.00 0.00 O ATOM 1197 CB ALA A 73 -9.731 -12.301 9.711 1.00 0.00 C ATOM 0 H ALA A 73 -10.657 -10.100 9.552 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.040 -10.933 9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.121 -13.204 9.730 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.953 -11.991 10.732 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.663 -12.504 9.183 1.00 0.00 H new ATOM 1203 N ARG A 74 -9.483 -11.443 6.632 1.00 0.00 N ATOM 1204 CA ARG A 74 -9.325 -11.829 5.239 1.00 0.00 C ATOM 1205 C ARG A 74 -8.248 -11.021 4.548 1.00 0.00 C ATOM 1206 O ARG A 74 -7.515 -11.596 3.751 1.00 0.00 O ATOM 1207 CB ARG A 74 -10.657 -11.621 4.502 1.00 0.00 C ATOM 1208 CG ARG A 74 -11.607 -12.830 4.583 1.00 0.00 C ATOM 1209 CD ARG A 74 -11.424 -13.806 3.408 1.00 0.00 C ATOM 1210 NE ARG A 74 -10.243 -14.668 3.542 1.00 0.00 N ATOM 1211 CZ ARG A 74 -10.101 -15.701 4.382 1.00 0.00 C ATOM 1212 NH1 ARG A 74 -11.126 -16.142 5.110 1.00 0.00 N ATOM 1213 NH2 ARG A 74 -8.923 -16.298 4.477 1.00 0.00 N ATOM 0 H ARG A 74 -10.370 -10.974 6.814 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.029 -12.878 5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.159 -10.748 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.452 -11.402 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.436 -13.360 5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.638 -12.477 4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.313 -14.431 3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.345 -13.237 2.482 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.451 -14.459 2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.038 -15.691 5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.999 -16.930 5.745 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.138 -15.970 3.914 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.800 -17.086 5.113 1.00 0.00 H new ATOM 1227 N MET A 75 -8.184 -9.714 4.793 1.00 0.00 N ATOM 1228 CA MET A 75 -7.191 -8.868 4.145 1.00 0.00 C ATOM 1229 C MET A 75 -5.915 -8.786 4.973 1.00 0.00 C ATOM 1230 O MET A 75 -4.818 -8.706 4.427 1.00 0.00 O ATOM 1231 CB MET A 75 -7.810 -7.488 3.884 1.00 0.00 C ATOM 1232 CG MET A 75 -7.102 -6.736 2.753 1.00 0.00 C ATOM 1233 SD MET A 75 -6.978 -7.550 1.125 1.00 0.00 S ATOM 1234 CE MET A 75 -8.639 -8.250 0.907 1.00 0.00 C ATOM 0 H MET A 75 -8.807 -9.222 5.433 1.00 0.00 H new ATOM 0 HA MET A 75 -6.902 -9.303 3.188 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.864 -7.607 3.634 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.764 -6.894 4.797 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.616 -5.785 2.612 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.091 -6.505 3.088 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.719 -8.695 -0.085 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.813 -9.016 1.663 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.383 -7.460 1.012 1.00 0.00 H new ATOM 1244 N VAL A 76 -6.046 -8.818 6.296 1.00 0.00 N ATOM 1245 CA VAL A 76 -4.944 -8.754 7.235 1.00 0.00 C ATOM 1246 C VAL A 76 -4.058 -9.978 7.073 1.00 0.00 C ATOM 1247 O VAL A 76 -2.836 -9.835 7.022 1.00 0.00 O ATOM 1248 CB VAL A 76 -5.514 -8.663 8.664 1.00 0.00 C ATOM 1249 CG1 VAL A 76 -4.455 -8.874 9.751 1.00 0.00 C ATOM 1250 CG2 VAL A 76 -6.177 -7.299 8.867 1.00 0.00 C ATOM 0 H VAL A 76 -6.955 -8.892 6.753 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.333 -7.872 7.042 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.242 -9.468 8.763 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.921 -8.797 10.733 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.009 -9.862 9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.680 -8.113 9.657 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.579 -7.237 9.878 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.439 -6.510 8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.986 -7.177 8.147 1.00 0.00 H new ATOM 1260 N ASP A 77 -4.640 -11.177 6.967 1.00 0.00 N ATOM 1261 CA ASP A 77 -3.789 -12.365 6.844 1.00 0.00 C ATOM 1262 C ASP A 77 -3.003 -12.382 5.537 1.00 0.00 C ATOM 1263 O ASP A 77 -1.971 -13.052 5.445 1.00 0.00 O ATOM 1264 CB ASP A 77 -4.586 -13.654 6.984 1.00 0.00 C ATOM 1265 CG ASP A 77 -3.658 -14.857 7.150 1.00 0.00 C ATOM 1266 OD1 ASP A 77 -2.851 -14.893 8.105 1.00 0.00 O ATOM 1267 OD2 ASP A 77 -3.712 -15.778 6.305 1.00 0.00 O ATOM 0 H ASP A 77 -5.645 -11.349 6.963 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.077 -12.307 7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.252 -13.582 7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.215 -13.794 6.105 1.00 0.00 H new ATOM 1272 N SER A 78 -3.452 -11.644 4.520 1.00 0.00 N ATOM 1273 CA SER A 78 -2.780 -11.568 3.235 1.00 0.00 C ATOM 1274 C SER A 78 -1.454 -10.803 3.360 1.00 0.00 C ATOM 1275 O SER A 78 -0.727 -10.707 2.371 1.00 0.00 O ATOM 1276 CB SER A 78 -3.707 -10.911 2.203 1.00 0.00 C ATOM 1277 OG SER A 78 -4.939 -11.600 2.110 1.00 0.00 O ATOM 0 H SER A 78 -4.300 -11.080 4.572 1.00 0.00 H new ATOM 0 HA SER A 78 -2.545 -12.577 2.896 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.888 -9.873 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.220 -10.899 1.228 1.00 0.00 H new ATOM 0 HG SER A 78 -5.521 -11.332 2.852 1.00 0.00 H new ATOM 1283 N CYS A 79 -1.103 -10.284 4.548 1.00 0.00 N ATOM 1284 CA CYS A 79 0.120 -9.540 4.776 1.00 0.00 C ATOM 1285 C CYS A 79 1.385 -10.394 4.752 1.00 0.00 C ATOM 1286 O CYS A 79 2.466 -9.809 4.883 1.00 0.00 O ATOM 1287 CB CYS A 79 0.017 -8.689 6.053 1.00 0.00 C ATOM 1288 SG CYS A 79 0.201 -9.647 7.580 1.00 0.00 S ATOM 0 H CYS A 79 -1.680 -10.378 5.384 1.00 0.00 H new ATOM 0 HA CYS A 79 0.226 -8.867 3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.783 -7.914 6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.948 -8.183 6.066 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.957 -10.115 7.941 1.00 0.00 H new ATOM 1294 N GLN A 80 1.289 -11.725 4.600 1.00 0.00 N ATOM 1295 CA GLN A 80 2.466 -12.594 4.543 1.00 0.00 C ATOM 1296 C GLN A 80 3.219 -12.426 3.203 1.00 0.00 C ATOM 1297 O GLN A 80 3.251 -13.306 2.334 1.00 0.00 O ATOM 1298 CB GLN A 80 2.148 -14.048 4.940 1.00 0.00 C ATOM 1299 CG GLN A 80 0.995 -14.773 4.213 1.00 0.00 C ATOM 1300 CD GLN A 80 0.752 -16.194 4.754 1.00 0.00 C ATOM 1301 OE1 GLN A 80 0.933 -16.424 6.048 1.00 0.00 O flip ATOM 1302 NE2 GLN A 80 0.357 -17.102 4.025 1.00 0.00 N flip ATOM 0 H GLN A 80 0.402 -12.220 4.514 1.00 0.00 H new ATOM 0 HA GLN A 80 3.170 -12.269 5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.054 -14.637 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.927 -14.060 6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.081 -14.188 4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.220 -14.828 3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.216 -16.932 3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.171 -18.025 4.416 1.00 0.00 H new ATOM 1311 N THR A 81 3.856 -11.266 3.055 1.00 0.00 N ATOM 1312 CA THR A 81 4.631 -10.834 1.911 1.00 0.00 C ATOM 1313 C THR A 81 5.798 -9.981 2.440 1.00 0.00 C ATOM 1314 O THR A 81 6.758 -10.577 2.942 1.00 0.00 O ATOM 1315 CB THR A 81 3.703 -10.219 0.828 1.00 0.00 C ATOM 1316 OG1 THR A 81 4.412 -9.411 -0.089 1.00 0.00 O ATOM 1317 CG2 THR A 81 2.540 -9.396 1.400 1.00 0.00 C ATOM 0 H THR A 81 3.838 -10.558 3.789 1.00 0.00 H new ATOM 0 HA THR A 81 5.101 -11.651 1.364 1.00 0.00 H new ATOM 0 HB THR A 81 3.287 -11.086 0.315 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.790 -9.046 -0.753 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.938 -9.000 0.582 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.920 -10.032 2.032 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.935 -8.571 1.992 1.00 0.00 H new ATOM 1325 N ALA A 82 5.757 -8.645 2.390 1.00 0.00 N ATOM 1326 CA ALA A 82 6.838 -7.765 2.852 1.00 0.00 C ATOM 1327 C ALA A 82 6.309 -6.359 3.178 1.00 0.00 C ATOM 1328 O ALA A 82 6.850 -5.346 2.735 1.00 0.00 O ATOM 1329 CB ALA A 82 7.932 -7.721 1.773 1.00 0.00 C ATOM 0 H ALA A 82 4.955 -8.134 2.020 1.00 0.00 H new ATOM 0 HA ALA A 82 7.261 -8.160 3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.742 -7.071 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.319 -8.726 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.512 -7.335 0.844 1.00 0.00 H new ATOM 1335 N LEU A 83 5.177 -6.292 3.870 1.00 0.00 N ATOM 1336 CA LEU A 83 4.497 -5.065 4.290 1.00 0.00 C ATOM 1337 C LEU A 83 3.944 -5.244 5.700 1.00 0.00 C ATOM 1338 O LEU A 83 3.926 -6.372 6.209 1.00 0.00 O ATOM 1339 CB LEU A 83 3.409 -4.675 3.274 1.00 0.00 C ATOM 1340 CG LEU A 83 2.476 -5.804 2.813 1.00 0.00 C ATOM 1341 CD1 LEU A 83 1.563 -6.334 3.920 1.00 0.00 C ATOM 1342 CD2 LEU A 83 1.590 -5.284 1.698 1.00 0.00 C ATOM 0 H LEU A 83 4.682 -7.132 4.170 1.00 0.00 H new ATOM 0 HA LEU A 83 5.209 -4.240 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.800 -3.884 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.896 -4.253 2.395 1.00 0.00 H new ATOM 0 HG LEU A 83 3.118 -6.623 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.932 -7.129 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.170 -6.727 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.935 -5.525 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.923 -6.078 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.999 -4.444 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.210 -4.955 0.864 1.00 0.00 H new ATOM 1354 N SER A 84 3.525 -4.165 6.354 1.00 0.00 N ATOM 1355 CA SER A 84 2.973 -4.238 7.697 1.00 0.00 C ATOM 1356 C SER A 84 1.439 -4.315 7.617 1.00 0.00 C ATOM 1357 O SER A 84 0.844 -3.845 6.640 1.00 0.00 O ATOM 1358 CB SER A 84 3.467 -3.013 8.468 1.00 0.00 C ATOM 1359 OG SER A 84 3.167 -1.823 7.771 1.00 0.00 O ATOM 0 H SER A 84 3.559 -3.221 5.968 1.00 0.00 H new ATOM 0 HA SER A 84 3.302 -5.133 8.224 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.003 -2.988 9.454 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.543 -3.086 8.624 1.00 0.00 H new ATOM 0 HG SER A 84 3.491 -1.053 8.284 1.00 0.00 H new ATOM 1365 N PRO A 85 0.755 -4.874 8.632 1.00 0.00 N ATOM 1366 CA PRO A 85 -0.699 -4.958 8.610 1.00 0.00 C ATOM 1367 C PRO A 85 -1.339 -3.558 8.629 1.00 0.00 C ATOM 1368 O PRO A 85 -2.410 -3.372 8.054 1.00 0.00 O ATOM 1369 CB PRO A 85 -1.088 -5.845 9.795 1.00 0.00 C ATOM 1370 CG PRO A 85 0.096 -5.730 10.755 1.00 0.00 C ATOM 1371 CD PRO A 85 1.295 -5.475 9.842 1.00 0.00 C ATOM 0 HA PRO A 85 -1.076 -5.403 7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.013 -5.504 10.261 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -1.249 -6.877 9.484 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.045 -4.915 11.465 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.226 -6.642 11.338 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.015 -4.811 10.320 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.819 -6.404 9.616 1.00 0.00 H new ATOM 1379 N GLY A 86 -0.673 -2.544 9.195 1.00 0.00 N ATOM 1380 CA GLY A 86 -1.192 -1.183 9.242 1.00 0.00 C ATOM 1381 C GLY A 86 -1.291 -0.596 7.835 1.00 0.00 C ATOM 1382 O GLY A 86 -2.188 0.205 7.578 1.00 0.00 O ATOM 0 H GLY A 86 0.242 -2.651 9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.175 -1.179 9.713 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.541 -0.561 9.856 1.00 0.00 H new ATOM 1386 N GLU A 87 -0.409 -0.986 6.901 1.00 0.00 N ATOM 1387 CA GLU A 87 -0.483 -0.479 5.529 1.00 0.00 C ATOM 1388 C GLU A 87 -1.781 -1.019 4.911 1.00 0.00 C ATOM 1389 O GLU A 87 -2.407 -0.362 4.082 1.00 0.00 O ATOM 1390 CB GLU A 87 0.765 -0.870 4.717 1.00 0.00 C ATOM 1391 CG GLU A 87 1.976 -0.033 5.159 1.00 0.00 C ATOM 1392 CD GLU A 87 3.286 -0.402 4.450 1.00 0.00 C ATOM 1393 OE1 GLU A 87 3.608 -1.599 4.275 1.00 0.00 O ATOM 1394 OE2 GLU A 87 4.020 0.536 4.063 1.00 0.00 O ATOM 0 H GLU A 87 0.353 -1.642 7.071 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.501 0.611 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.978 -1.930 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.578 -0.717 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.762 1.020 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.112 -0.150 6.234 1.00 0.00 H new ATOM 1401 N MET A 88 -2.209 -2.221 5.316 1.00 0.00 N ATOM 1402 CA MET A 88 -3.443 -2.835 4.846 1.00 0.00 C ATOM 1403 C MET A 88 -4.580 -1.906 5.266 1.00 0.00 C ATOM 1404 O MET A 88 -5.380 -1.493 4.432 1.00 0.00 O ATOM 1405 CB MET A 88 -3.616 -4.238 5.461 1.00 0.00 C ATOM 1406 CG MET A 88 -4.355 -5.200 4.533 1.00 0.00 C ATOM 1407 SD MET A 88 -3.366 -5.851 3.159 1.00 0.00 S ATOM 1408 CE MET A 88 -2.171 -6.848 4.089 1.00 0.00 C ATOM 0 H MET A 88 -1.698 -2.795 5.986 1.00 0.00 H new ATOM 0 HA MET A 88 -3.433 -2.965 3.764 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.635 -4.650 5.698 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.162 -4.154 6.400 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.725 -6.038 5.123 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.226 -4.689 4.124 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.733 -7.598 3.431 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.384 -6.203 4.478 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.677 -7.343 4.918 1.00 0.00 H new ATOM 1418 N GLU A 89 -4.612 -1.526 6.547 1.00 0.00 N ATOM 1419 CA GLU A 89 -5.620 -0.639 7.115 1.00 0.00 C ATOM 1420 C GLU A 89 -5.628 0.697 6.398 1.00 0.00 C ATOM 1421 O GLU A 89 -6.707 1.209 6.102 1.00 0.00 O ATOM 1422 CB GLU A 89 -5.396 -0.427 8.611 1.00 0.00 C ATOM 1423 CG GLU A 89 -5.534 -1.763 9.333 1.00 0.00 C ATOM 1424 CD GLU A 89 -5.418 -1.621 10.847 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -5.951 -0.647 11.421 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -4.843 -2.529 11.493 1.00 0.00 O ATOM 0 H GLU A 89 -3.920 -1.836 7.229 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.590 -1.118 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.406 -0.006 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.120 0.288 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.497 -2.209 9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.765 -2.447 8.975 1.00 0.00 H new ATOM 1433 N LYS A 90 -4.446 1.250 6.100 1.00 0.00 N ATOM 1434 CA LYS A 90 -4.338 2.517 5.389 1.00 0.00 C ATOM 1435 C LYS A 90 -5.061 2.391 4.054 1.00 0.00 C ATOM 1436 O LYS A 90 -5.686 3.360 3.641 1.00 0.00 O ATOM 1437 CB LYS A 90 -2.868 2.929 5.195 1.00 0.00 C ATOM 1438 CG LYS A 90 -2.209 3.366 6.512 1.00 0.00 C ATOM 1439 CD LYS A 90 -2.540 4.818 6.884 1.00 0.00 C ATOM 1440 CE LYS A 90 -2.326 5.051 8.385 1.00 0.00 C ATOM 1441 NZ LYS A 90 -3.505 4.634 9.172 1.00 0.00 N ATOM 0 H LYS A 90 -3.549 0.832 6.345 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.805 3.304 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.311 2.093 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.813 3.745 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.537 2.705 7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.128 3.254 6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.910 5.499 6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.574 5.041 6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.450 4.496 8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.122 6.107 8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.326 4.805 10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.336 5.182 8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.684 3.621 9.019 1.00 0.00 H new ATOM 1455 N HIS A 91 -5.012 1.235 3.382 1.00 0.00 N ATOM 1456 CA HIS A 91 -5.719 1.105 2.110 1.00 0.00 C ATOM 1457 C HIS A 91 -7.222 0.975 2.349 1.00 0.00 C ATOM 1458 O HIS A 91 -8.001 1.462 1.532 1.00 0.00 O ATOM 1459 CB HIS A 91 -5.242 -0.067 1.252 1.00 0.00 C ATOM 1460 CG HIS A 91 -3.852 0.057 0.679 1.00 0.00 C ATOM 1461 ND1 HIS A 91 -2.677 -0.269 1.315 1.00 0.00 N ATOM 1462 CD2 HIS A 91 -3.537 0.405 -0.609 1.00 0.00 C ATOM 1463 CE1 HIS A 91 -1.677 -0.137 0.431 1.00 0.00 C ATOM 1464 NE2 HIS A 91 -2.150 0.295 -0.749 1.00 0.00 N ATOM 0 H HIS A 91 -4.507 0.403 3.687 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.495 2.015 1.554 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -5.286 -0.974 1.854 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.943 -0.197 0.428 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -2.583 -0.560 2.288 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -4.234 0.709 -1.376 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.638 -0.348 0.639 1.00 0.00 H new ATOM 1472 N LEU A 92 -7.648 0.323 3.438 1.00 0.00 N ATOM 1473 CA LEU A 92 -9.064 0.155 3.748 1.00 0.00 C ATOM 1474 C LEU A 92 -9.723 1.528 3.887 1.00 0.00 C ATOM 1475 O LEU A 92 -10.747 1.784 3.246 1.00 0.00 O ATOM 1476 CB LEU A 92 -9.297 -0.679 5.027 1.00 0.00 C ATOM 1477 CG LEU A 92 -8.723 -2.111 5.038 1.00 0.00 C ATOM 1478 CD1 LEU A 92 -9.038 -2.799 6.369 1.00 0.00 C ATOM 1479 CD2 LEU A 92 -9.234 -2.976 3.885 1.00 0.00 C ATOM 0 H LEU A 92 -7.021 -0.099 4.123 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.517 -0.396 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.870 -0.135 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.371 -0.742 5.200 1.00 0.00 H new ATOM 0 HG LEU A 92 -7.645 -2.008 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.627 -3.809 6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.593 -2.231 7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.118 -2.848 6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.792 -3.970 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.319 -3.057 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.956 -2.518 2.936 1.00 0.00 H new ATOM 1491 N VAL A 93 -9.129 2.398 4.713 1.00 0.00 N ATOM 1492 CA VAL A 93 -9.648 3.736 4.953 1.00 0.00 C ATOM 1493 C VAL A 93 -9.518 4.608 3.707 1.00 0.00 C ATOM 1494 O VAL A 93 -10.500 5.251 3.341 1.00 0.00 O ATOM 1495 CB VAL A 93 -9.009 4.352 6.218 1.00 0.00 C ATOM 1496 CG1 VAL A 93 -7.492 4.552 6.140 1.00 0.00 C ATOM 1497 CG2 VAL A 93 -9.660 5.689 6.597 1.00 0.00 C ATOM 0 H VAL A 93 -8.276 2.187 5.230 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.717 3.673 5.156 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.198 3.605 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.134 4.989 7.072 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.006 3.590 5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.255 5.220 5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -9.180 6.087 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.542 6.397 5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.721 5.535 6.792 1.00 0.00 H new ATOM 1507 N LEU A 94 -8.362 4.606 3.023 1.00 0.00 N ATOM 1508 CA LEU A 94 -8.176 5.436 1.835 1.00 0.00 C ATOM 1509 C LEU A 94 -9.232 5.133 0.781 1.00 0.00 C ATOM 1510 O LEU A 94 -9.794 6.056 0.200 1.00 0.00 O ATOM 1511 CB LEU A 94 -6.737 5.381 1.288 1.00 0.00 C ATOM 1512 CG LEU A 94 -6.400 4.407 0.150 1.00 0.00 C ATOM 1513 CD1 LEU A 94 -6.763 4.969 -1.235 1.00 0.00 C ATOM 1514 CD2 LEU A 94 -4.889 4.122 0.166 1.00 0.00 C ATOM 0 H LEU A 94 -7.551 4.041 3.275 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.322 6.473 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.478 6.384 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.078 5.148 2.124 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.985 3.503 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.504 4.240 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.833 5.174 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.210 5.892 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.641 3.431 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.341 5.054 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.612 3.679 1.123 1.00 0.00 H new ATOM 1526 N LEU A 95 -9.505 3.852 0.521 1.00 0.00 N ATOM 1527 CA LEU A 95 -10.492 3.468 -0.473 1.00 0.00 C ATOM 1528 C LEU A 95 -11.859 4.001 -0.071 1.00 0.00 C ATOM 1529 O LEU A 95 -12.497 4.673 -0.875 1.00 0.00 O ATOM 1530 CB LEU A 95 -10.524 1.948 -0.663 1.00 0.00 C ATOM 1531 CG LEU A 95 -9.408 1.365 -1.555 1.00 0.00 C ATOM 1532 CD1 LEU A 95 -9.680 -0.121 -1.785 1.00 0.00 C ATOM 1533 CD2 LEU A 95 -9.300 2.024 -2.935 1.00 0.00 C ATOM 0 H LEU A 95 -9.052 3.067 0.989 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.213 3.906 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.465 1.476 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -11.488 1.673 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.474 1.550 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.896 -0.541 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.694 -0.641 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.645 -0.242 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.492 1.557 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.239 1.897 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.091 3.087 -2.815 1.00 0.00 H new ATOM 1545 N ALA A 96 -12.314 3.714 1.151 1.00 0.00 N ATOM 1546 CA ALA A 96 -13.613 4.204 1.605 1.00 0.00 C ATOM 1547 C ALA A 96 -13.699 5.736 1.587 1.00 0.00 C ATOM 1548 O ALA A 96 -14.805 6.267 1.475 1.00 0.00 O ATOM 1549 CB ALA A 96 -13.941 3.663 3.005 1.00 0.00 C ATOM 0 H ALA A 96 -11.808 3.152 1.835 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.356 3.832 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.913 4.041 3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.967 2.574 2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -13.176 3.990 3.710 1.00 0.00 H new ATOM 1555 N GLU A 97 -12.583 6.453 1.703 1.00 0.00 N ATOM 1556 CA GLU A 97 -12.569 7.906 1.702 1.00 0.00 C ATOM 1557 C GLU A 97 -12.657 8.446 0.271 1.00 0.00 C ATOM 1558 O GLU A 97 -13.394 9.396 -0.003 1.00 0.00 O ATOM 1559 CB GLU A 97 -11.275 8.361 2.394 1.00 0.00 C ATOM 1560 CG GLU A 97 -11.250 9.858 2.711 1.00 0.00 C ATOM 1561 CD GLU A 97 -12.220 10.299 3.815 1.00 0.00 C ATOM 1562 OE1 GLU A 97 -12.824 9.458 4.524 1.00 0.00 O ATOM 1563 OE2 GLU A 97 -12.283 11.529 4.031 1.00 0.00 O ATOM 0 H GLU A 97 -11.658 6.034 1.801 1.00 0.00 H new ATOM 0 HA GLU A 97 -13.432 8.297 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.150 7.799 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.425 8.118 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.238 10.136 3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.482 10.412 1.801 1.00 0.00 H new ATOM 1570 N LEU A 98 -11.913 7.838 -0.656 1.00 0.00 N ATOM 1571 CA LEU A 98 -11.877 8.248 -2.052 1.00 0.00 C ATOM 1572 C LEU A 98 -13.062 7.727 -2.856 1.00 0.00 C ATOM 1573 O LEU A 98 -13.272 8.222 -3.961 1.00 0.00 O ATOM 1574 CB LEU A 98 -10.564 7.787 -2.710 1.00 0.00 C ATOM 1575 CG LEU A 98 -9.282 8.421 -2.131 1.00 0.00 C ATOM 1576 CD1 LEU A 98 -8.087 7.947 -2.961 1.00 0.00 C ATOM 1577 CD2 LEU A 98 -9.312 9.953 -2.137 1.00 0.00 C ATOM 0 H LEU A 98 -11.314 7.039 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 98 -11.937 9.336 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.489 6.704 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.612 8.011 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.204 8.106 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.172 8.386 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.018 6.860 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.219 8.256 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.382 10.337 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.423 10.311 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.152 10.303 -1.537 1.00 0.00 H new ATOM 1589 N LEU A 99 -13.834 6.756 -2.359 1.00 0.00 N ATOM 1590 CA LEU A 99 -14.985 6.194 -3.068 1.00 0.00 C ATOM 1591 C LEU A 99 -15.989 5.541 -2.094 1.00 0.00 C ATOM 1592 O LEU A 99 -16.194 4.323 -2.122 1.00 0.00 O ATOM 1593 CB LEU A 99 -14.530 5.305 -4.254 1.00 0.00 C ATOM 1594 CG LEU A 99 -13.252 4.448 -4.083 1.00 0.00 C ATOM 1595 CD1 LEU A 99 -13.504 3.113 -3.387 1.00 0.00 C ATOM 1596 CD2 LEU A 99 -12.666 4.128 -5.458 1.00 0.00 C ATOM 0 H LEU A 99 -13.675 6.335 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.552 7.002 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -15.351 4.631 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.382 5.953 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.575 5.039 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -12.566 2.565 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.912 3.293 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -14.214 2.527 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -11.766 3.525 -5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.398 3.575 -6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -12.415 5.056 -5.971 1.00 0.00 H new ATOM 1608 N PRO A 100 -16.687 6.337 -1.259 1.00 0.00 N ATOM 1609 CA PRO A 100 -17.667 5.847 -0.290 1.00 0.00 C ATOM 1610 C PRO A 100 -18.897 5.217 -0.947 1.00 0.00 C ATOM 1611 O PRO A 100 -19.666 4.534 -0.268 1.00 0.00 O ATOM 1612 CB PRO A 100 -18.046 7.048 0.582 1.00 0.00 C ATOM 1613 CG PRO A 100 -17.726 8.252 -0.295 1.00 0.00 C ATOM 1614 CD PRO A 100 -16.548 7.775 -1.134 1.00 0.00 C ATOM 0 HA PRO A 100 -17.233 5.043 0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -19.100 7.024 0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -17.473 7.065 1.509 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.575 8.532 -0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -17.466 9.126 0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.552 8.252 -2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.602 8.033 -0.657 1.00 0.00 H new ATOM 1622 N ASP A 101 -19.137 5.451 -2.244 1.00 0.00 N ATOM 1623 CA ASP A 101 -20.286 4.825 -2.900 1.00 0.00 C ATOM 1624 C ASP A 101 -19.994 3.338 -3.133 1.00 0.00 C ATOM 1625 O ASP A 101 -20.916 2.549 -3.340 1.00 0.00 O ATOM 1626 CB ASP A 101 -20.671 5.517 -4.214 1.00 0.00 C ATOM 1627 CG ASP A 101 -22.108 5.162 -4.602 1.00 0.00 C ATOM 1628 OD1 ASP A 101 -23.031 5.781 -4.021 1.00 0.00 O ATOM 1629 OD2 ASP A 101 -22.321 4.268 -5.451 1.00 0.00 O ATOM 0 H ASP A 101 -18.569 6.051 -2.842 1.00 0.00 H new ATOM 0 HA ASP A 101 -21.144 4.933 -2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -20.573 6.597 -4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.988 5.213 -5.007 1.00 0.00 H new ATOM 1634 N TRP A 102 -18.710 2.959 -3.096 1.00 0.00 N ATOM 1635 CA TRP A 102 -18.246 1.601 -3.289 1.00 0.00 C ATOM 1636 C TRP A 102 -18.220 0.857 -1.955 1.00 0.00 C ATOM 1637 O TRP A 102 -18.838 -0.200 -1.858 1.00 0.00 O ATOM 1638 CB TRP A 102 -16.856 1.628 -3.953 1.00 0.00 C ATOM 1639 CG TRP A 102 -16.450 0.389 -4.694 1.00 0.00 C ATOM 1640 CD1 TRP A 102 -17.233 -0.243 -5.590 1.00 0.00 C ATOM 1641 CD2 TRP A 102 -15.226 -0.413 -4.611 1.00 0.00 C ATOM 1642 NE1 TRP A 102 -16.578 -1.344 -6.090 1.00 0.00 N ATOM 1643 CE2 TRP A 102 -15.356 -1.534 -5.489 1.00 0.00 C ATOM 1644 CE3 TRP A 102 -14.053 -0.366 -3.829 1.00 0.00 C ATOM 1645 CZ2 TRP A 102 -14.397 -2.559 -5.562 1.00 0.00 C ATOM 1646 CZ3 TRP A 102 -13.086 -1.384 -3.896 1.00 0.00 C ATOM 1647 CH2 TRP A 102 -13.258 -2.488 -4.745 1.00 0.00 C ATOM 0 H TRP A 102 -17.951 3.618 -2.925 1.00 0.00 H new ATOM 0 HA TRP A 102 -18.931 1.066 -3.947 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -16.825 2.468 -4.647 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -16.112 1.825 -3.181 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -18.227 0.069 -5.873 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -16.954 -1.948 -6.820 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -13.894 0.470 -3.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -14.535 -3.390 -6.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -12.198 -1.315 -3.285 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -12.520 -3.276 -4.770 1.00 0.00 H new ATOM 1658 N LEU A 103 -17.496 1.375 -0.951 1.00 0.00 N ATOM 1659 CA LEU A 103 -17.363 0.759 0.371 1.00 0.00 C ATOM 1660 C LEU A 103 -18.178 1.516 1.407 1.00 0.00 C ATOM 1661 O LEU A 103 -18.045 2.734 1.551 1.00 0.00 O ATOM 1662 CB LEU A 103 -15.894 0.766 0.811 1.00 0.00 C ATOM 1663 CG LEU A 103 -15.597 0.139 2.188 1.00 0.00 C ATOM 1664 CD1 LEU A 103 -16.125 -1.290 2.300 1.00 0.00 C ATOM 1665 CD2 LEU A 103 -14.079 0.078 2.410 1.00 0.00 C ATOM 0 H LEU A 103 -16.979 2.250 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 103 -17.730 -0.265 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -15.308 0.237 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -15.543 1.798 0.821 1.00 0.00 H new ATOM 0 HG LEU A 103 -16.092 0.764 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -15.891 -1.688 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -17.205 -1.291 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -15.656 -1.912 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.871 -0.365 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.621 -0.530 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.665 1.086 2.375 1.00 0.00 H new ATOM 1677 N SER A 104 -18.956 0.763 2.172 1.00 0.00 N ATOM 1678 CA SER A 104 -19.813 1.259 3.225 1.00 0.00 C ATOM 1679 C SER A 104 -19.650 0.409 4.483 1.00 0.00 C ATOM 1680 O SER A 104 -19.183 -0.738 4.445 1.00 0.00 O ATOM 1681 CB SER A 104 -21.256 1.241 2.722 1.00 0.00 C ATOM 1682 OG SER A 104 -22.005 2.295 3.292 1.00 0.00 O ATOM 0 H SER A 104 -19.005 -0.250 2.067 1.00 0.00 H new ATOM 0 HA SER A 104 -19.539 2.281 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 104 -21.267 1.329 1.636 1.00 0.00 H new ATOM 0 HB3 SER A 104 -21.719 0.286 2.970 1.00 0.00 H new ATOM 0 HG SER A 104 -22.924 2.263 2.954 1.00 0.00 H new ATOM 1688 N LEU A 105 -20.082 0.983 5.604 1.00 0.00 N ATOM 1689 CA LEU A 105 -20.036 0.394 6.935 1.00 0.00 C ATOM 1690 C LEU A 105 -21.462 0.324 7.452 1.00 0.00 C ATOM 1691 O LEU A 105 -22.176 1.332 7.473 1.00 0.00 O ATOM 1692 CB LEU A 105 -19.148 1.237 7.860 1.00 0.00 C ATOM 1693 CG LEU A 105 -17.646 1.117 7.556 1.00 0.00 C ATOM 1694 CD1 LEU A 105 -16.878 2.245 8.250 1.00 0.00 C ATOM 1695 CD2 LEU A 105 -17.097 -0.226 8.045 1.00 0.00 C ATOM 0 H LEU A 105 -20.493 1.917 5.606 1.00 0.00 H new ATOM 0 HA LEU A 105 -19.604 -0.606 6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -19.443 2.283 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -19.326 0.936 8.892 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.516 1.186 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.815 2.151 8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -17.240 3.208 7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -17.031 2.180 9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.033 -0.288 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -17.245 -0.309 9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -17.622 -1.038 7.543 1.00 0.00 H new ATOM 1707 N HIS A 106 -21.889 -0.875 7.838 1.00 0.00 N ATOM 1708 CA HIS A 106 -23.222 -1.160 8.336 1.00 0.00 C ATOM 1709 C HIS A 106 -23.115 -1.712 9.756 1.00 0.00 C ATOM 1710 O HIS A 106 -22.735 -2.865 9.959 1.00 0.00 O ATOM 1711 CB HIS A 106 -23.924 -2.158 7.401 1.00 0.00 C ATOM 1712 CG HIS A 106 -24.387 -1.605 6.071 1.00 0.00 C ATOM 1713 ND1 HIS A 106 -25.626 -1.838 5.508 1.00 0.00 N ATOM 1714 CD2 HIS A 106 -23.677 -0.824 5.195 1.00 0.00 C ATOM 1715 CE1 HIS A 106 -25.663 -1.193 4.328 1.00 0.00 C ATOM 1716 NE2 HIS A 106 -24.505 -0.551 4.106 1.00 0.00 N ATOM 0 H HIS A 106 -21.291 -1.701 7.810 1.00 0.00 H new ATOM 0 HA HIS A 106 -23.818 -0.248 8.360 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -23.243 -2.988 7.210 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -24.789 -2.568 7.923 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -22.661 -0.482 5.325 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -26.506 -1.192 3.653 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -24.275 0.026 3.297 1.00 0.00 H new ATOM 1724 N ARG A 107 -23.391 -0.888 10.768 1.00 0.00 N ATOM 1725 CA ARG A 107 -23.345 -1.324 12.160 1.00 0.00 C ATOM 1726 C ARG A 107 -24.674 -2.017 12.425 1.00 0.00 C ATOM 1727 O ARG A 107 -25.731 -1.394 12.282 1.00 0.00 O ATOM 1728 CB ARG A 107 -23.067 -0.140 13.097 1.00 0.00 C ATOM 1729 CG ARG A 107 -22.660 -0.565 14.516 1.00 0.00 C ATOM 1730 CD ARG A 107 -23.869 -0.879 15.395 1.00 0.00 C ATOM 1731 NE ARG A 107 -23.491 -1.092 16.797 1.00 0.00 N ATOM 1732 CZ ARG A 107 -24.335 -1.545 17.729 1.00 0.00 C ATOM 1733 NH1 ARG A 107 -25.645 -1.577 17.498 1.00 0.00 N ATOM 1734 NH2 ARG A 107 -23.864 -1.974 18.887 1.00 0.00 N ATOM 0 H ARG A 107 -23.650 0.091 10.646 1.00 0.00 H new ATOM 0 HA ARG A 107 -22.527 -2.019 12.351 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -22.275 0.474 12.669 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -23.958 0.485 13.155 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -22.016 -1.443 14.460 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -22.075 0.230 14.977 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -24.584 -0.059 15.333 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -24.371 -1.769 15.016 1.00 0.00 H new ATOM 0 HE ARG A 107 -22.532 -0.883 17.075 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -26.013 -1.254 16.603 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -26.281 -1.925 18.216 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -22.860 -1.958 19.066 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -24.504 -2.321 19.601 1.00 0.00 H new ATOM 1748 N ILE A 108 -24.647 -3.302 12.743 1.00 0.00 N ATOM 1749 CA ILE A 108 -25.825 -4.114 13.018 1.00 0.00 C ATOM 1750 C ILE A 108 -25.851 -4.324 14.522 1.00 0.00 C ATOM 1751 O ILE A 108 -24.816 -4.366 15.181 1.00 0.00 O ATOM 1752 CB ILE A 108 -25.777 -5.460 12.250 1.00 0.00 C ATOM 1753 CG1 ILE A 108 -25.298 -5.300 10.794 1.00 0.00 C ATOM 1754 CG2 ILE A 108 -27.121 -6.209 12.283 1.00 0.00 C ATOM 1755 CD1 ILE A 108 -26.150 -4.360 9.931 1.00 0.00 C ATOM 0 H ILE A 108 -23.776 -3.827 12.820 1.00 0.00 H new ATOM 0 HA ILE A 108 -26.734 -3.617 12.679 1.00 0.00 H new ATOM 0 HB ILE A 108 -25.040 -6.062 12.781 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -24.272 -4.931 10.803 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -25.279 -6.283 10.324 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -27.030 -7.144 11.730 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -27.393 -6.423 13.317 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -27.893 -5.591 11.826 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -25.734 -4.313 8.925 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -27.172 -4.736 9.884 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -26.150 -3.363 10.371 1.00 0.00 H new ATOM 1767 N ARG A 109 -27.048 -4.523 15.064 1.00 0.00 N ATOM 1768 CA ARG A 109 -27.276 -4.734 16.497 1.00 0.00 C ATOM 1769 C ARG A 109 -26.421 -5.861 17.067 1.00 0.00 C ATOM 1770 O ARG A 109 -26.086 -5.846 18.250 1.00 0.00 O ATOM 1771 CB ARG A 109 -28.757 -5.001 16.770 1.00 0.00 C ATOM 1772 CG ARG A 109 -29.684 -4.249 15.800 1.00 0.00 C ATOM 1773 CD ARG A 109 -31.038 -4.015 16.440 1.00 0.00 C ATOM 1774 NE ARG A 109 -30.950 -2.928 17.431 1.00 0.00 N ATOM 1775 CZ ARG A 109 -30.786 -1.623 17.171 1.00 0.00 C ATOM 1776 NH1 ARG A 109 -30.931 -1.134 15.942 1.00 0.00 N ATOM 1777 NH2 ARG A 109 -30.445 -0.811 18.161 1.00 0.00 N ATOM 0 H ARG A 109 -27.906 -4.543 14.513 1.00 0.00 H new ATOM 0 HA ARG A 109 -26.975 -3.817 17.004 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -28.949 -6.071 16.694 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -28.993 -4.707 17.793 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -29.235 -3.295 15.524 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -29.803 -4.823 14.881 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -31.771 -3.761 15.675 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -31.384 -4.930 16.922 1.00 0.00 H new ATOM 0 HE ARG A 109 -31.021 -3.195 18.413 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -31.173 -1.756 15.171 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -30.801 -0.137 15.771 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -30.312 -1.182 19.102 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -30.316 0.185 17.982 1.00 0.00 H new ATOM 1791 N THR A 110 -26.112 -6.837 16.223 1.00 0.00 N ATOM 1792 CA THR A 110 -25.280 -7.972 16.578 1.00 0.00 C ATOM 1793 C THR A 110 -23.782 -7.614 16.496 1.00 0.00 C ATOM 1794 O THR A 110 -23.037 -8.073 17.357 1.00 0.00 O ATOM 1795 CB THR A 110 -25.704 -9.193 15.732 1.00 0.00 C ATOM 1796 OG1 THR A 110 -25.221 -10.418 16.234 1.00 0.00 O ATOM 1797 CG2 THR A 110 -25.316 -9.116 14.251 1.00 0.00 C ATOM 0 H THR A 110 -26.440 -6.860 15.257 1.00 0.00 H new ATOM 0 HA THR A 110 -25.432 -8.248 17.621 1.00 0.00 H new ATOM 0 HB THR A 110 -26.791 -9.157 15.810 1.00 0.00 H new ATOM 0 HG1 THR A 110 -25.524 -11.150 15.657 1.00 0.00 H new ATOM 0 HG21 THR A 110 -25.655 -10.016 13.739 1.00 0.00 H new ATOM 0 HG22 THR A 110 -25.784 -8.242 13.797 1.00 0.00 H new ATOM 0 HG23 THR A 110 -24.233 -9.034 14.162 1.00 0.00 H new ATOM 1805 N ASP A 111 -23.322 -6.837 15.497 1.00 0.00 N ATOM 1806 CA ASP A 111 -21.918 -6.429 15.283 1.00 0.00 C ATOM 1807 C ASP A 111 -21.824 -5.586 13.996 1.00 0.00 C ATOM 1808 O ASP A 111 -22.833 -5.336 13.342 1.00 0.00 O ATOM 1809 CB ASP A 111 -20.946 -7.631 15.167 1.00 0.00 C ATOM 1810 CG ASP A 111 -19.601 -7.306 15.829 1.00 0.00 C ATOM 1811 OD1 ASP A 111 -18.871 -6.420 15.320 1.00 0.00 O ATOM 1812 OD2 ASP A 111 -19.278 -7.911 16.876 1.00 0.00 O ATOM 0 H ASP A 111 -23.946 -6.459 14.784 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.618 -5.852 16.158 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -21.387 -8.509 15.640 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -20.790 -7.879 14.117 1.00 0.00 H new ATOM 1817 N THR A 112 -20.646 -5.105 13.611 1.00 0.00 N ATOM 1818 CA THR A 112 -20.418 -4.302 12.414 1.00 0.00 C ATOM 1819 C THR A 112 -20.154 -5.209 11.219 1.00 0.00 C ATOM 1820 O THR A 112 -19.546 -6.274 11.339 1.00 0.00 O ATOM 1821 CB THR A 112 -19.244 -3.335 12.646 1.00 0.00 C ATOM 1822 OG1 THR A 112 -19.588 -2.491 13.732 1.00 0.00 O ATOM 1823 CG2 THR A 112 -18.911 -2.477 11.417 1.00 0.00 C ATOM 0 H THR A 112 -19.792 -5.270 14.144 1.00 0.00 H new ATOM 0 HA THR A 112 -21.309 -3.711 12.201 1.00 0.00 H new ATOM 0 HB THR A 112 -18.354 -3.928 12.855 1.00 0.00 H new ATOM 0 HG1 THR A 112 -18.855 -1.864 13.904 1.00 0.00 H new ATOM 0 HG21 THR A 112 -18.074 -1.818 11.649 1.00 0.00 H new ATOM 0 HG22 THR A 112 -18.642 -3.125 10.583 1.00 0.00 H new ATOM 0 HG23 THR A 112 -19.780 -1.878 11.145 1.00 0.00 H new ATOM 1831 N TYR A 113 -20.601 -4.764 10.049 1.00 0.00 N ATOM 1832 CA TYR A 113 -20.462 -5.430 8.774 1.00 0.00 C ATOM 1833 C TYR A 113 -20.013 -4.377 7.764 1.00 0.00 C ATOM 1834 O TYR A 113 -20.180 -3.170 7.969 1.00 0.00 O ATOM 1835 CB TYR A 113 -21.797 -6.073 8.347 1.00 0.00 C ATOM 1836 CG TYR A 113 -22.258 -7.281 9.152 1.00 0.00 C ATOM 1837 CD1 TYR A 113 -22.589 -7.141 10.511 1.00 0.00 C ATOM 1838 CD2 TYR A 113 -22.393 -8.545 8.542 1.00 0.00 C ATOM 1839 CE1 TYR A 113 -23.011 -8.233 11.276 1.00 0.00 C ATOM 1840 CE2 TYR A 113 -22.825 -9.653 9.296 1.00 0.00 C ATOM 1841 CZ TYR A 113 -23.123 -9.498 10.671 1.00 0.00 C ATOM 1842 OH TYR A 113 -23.535 -10.555 11.413 1.00 0.00 O ATOM 0 H TYR A 113 -21.098 -3.877 9.969 1.00 0.00 H new ATOM 0 HA TYR A 113 -19.729 -6.235 8.836 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -22.575 -5.311 8.400 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -21.713 -6.371 7.302 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -22.516 -6.168 10.975 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -22.164 -8.664 7.493 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -23.249 -8.106 12.322 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -22.929 -10.620 8.826 1.00 0.00 H new ATOM 0 HH TYR A 113 -23.562 -11.358 10.852 1.00 0.00 H new ATOM 1852 N VAL A 114 -19.420 -4.842 6.678 1.00 0.00 N ATOM 1853 CA VAL A 114 -18.932 -4.050 5.570 1.00 0.00 C ATOM 1854 C VAL A 114 -19.819 -4.438 4.395 1.00 0.00 C ATOM 1855 O VAL A 114 -20.348 -5.557 4.320 1.00 0.00 O ATOM 1856 CB VAL A 114 -17.422 -4.314 5.352 1.00 0.00 C ATOM 1857 CG1 VAL A 114 -17.009 -4.460 3.885 1.00 0.00 C ATOM 1858 CG2 VAL A 114 -16.590 -3.180 5.963 1.00 0.00 C ATOM 0 H VAL A 114 -19.259 -5.840 6.541 1.00 0.00 H new ATOM 0 HA VAL A 114 -18.993 -2.974 5.732 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.231 -5.268 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -15.936 -4.643 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -17.545 -5.297 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -17.252 -3.544 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.530 -3.379 5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -16.858 -2.236 5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.789 -3.118 7.033 1.00 0.00 H new ATOM 1868 N LYS A 115 -19.979 -3.499 3.473 1.00 0.00 N ATOM 1869 CA LYS A 115 -20.767 -3.634 2.270 1.00 0.00 C ATOM 1870 C LYS A 115 -19.941 -3.059 1.141 1.00 0.00 C ATOM 1871 O LYS A 115 -19.431 -1.948 1.274 1.00 0.00 O ATOM 1872 CB LYS A 115 -22.083 -2.860 2.439 1.00 0.00 C ATOM 1873 CG LYS A 115 -23.253 -3.776 2.828 1.00 0.00 C ATOM 1874 CD LYS A 115 -24.267 -3.916 1.690 1.00 0.00 C ATOM 1875 CE LYS A 115 -23.656 -4.515 0.421 1.00 0.00 C ATOM 1876 NZ LYS A 115 -24.550 -4.275 -0.721 1.00 0.00 N ATOM 0 H LYS A 115 -19.540 -2.582 3.553 1.00 0.00 H new ATOM 0 HA LYS A 115 -21.017 -4.674 2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -21.955 -2.093 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -22.321 -2.346 1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -22.870 -4.760 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -23.751 -3.375 3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -25.094 -4.545 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -24.685 -2.936 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -22.680 -4.069 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -23.498 -5.585 0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -24.132 -4.683 -1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -25.472 -4.720 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -24.680 -3.251 -0.851 1.00 0.00 H new ATOM 1890 N LEU A 116 -19.791 -3.833 0.070 1.00 0.00 N ATOM 1891 CA LEU A 116 -19.050 -3.434 -1.118 1.00 0.00 C ATOM 1892 C LEU A 116 -19.989 -3.544 -2.301 1.00 0.00 C ATOM 1893 O LEU A 116 -21.042 -4.181 -2.193 1.00 0.00 O ATOM 1894 CB LEU A 116 -17.812 -4.309 -1.297 1.00 0.00 C ATOM 1895 CG LEU A 116 -16.767 -3.799 -2.305 1.00 0.00 C ATOM 1896 CD1 LEU A 116 -16.973 -4.181 -3.778 1.00 0.00 C ATOM 1897 CD2 LEU A 116 -16.365 -2.342 -2.101 1.00 0.00 C ATOM 0 H LEU A 116 -20.188 -4.770 0.004 1.00 0.00 H new ATOM 0 HA LEU A 116 -18.695 -2.408 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -17.328 -4.422 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -18.135 -5.302 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 116 -15.895 -4.394 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -16.168 -3.759 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -16.968 -5.267 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -17.929 -3.789 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -15.626 -2.060 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -17.244 -1.705 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -15.938 -2.218 -1.106 1.00 0.00 H new ATOM 1909 N ASP A 117 -19.670 -2.853 -3.390 1.00 0.00 N ATOM 1910 CA ASP A 117 -20.489 -2.871 -4.610 1.00 0.00 C ATOM 1911 C ASP A 117 -19.731 -3.274 -5.869 1.00 0.00 C ATOM 1912 O ASP A 117 -19.047 -2.484 -6.511 1.00 0.00 O ATOM 1913 CB ASP A 117 -21.366 -1.639 -4.793 1.00 0.00 C ATOM 1914 CG ASP A 117 -22.766 -2.095 -5.216 1.00 0.00 C ATOM 1915 OD1 ASP A 117 -22.909 -2.644 -6.333 1.00 0.00 O ATOM 1916 OD2 ASP A 117 -23.711 -2.031 -4.390 1.00 0.00 O ATOM 0 H ASP A 117 -18.840 -2.264 -3.458 1.00 0.00 H new ATOM 0 HA ASP A 117 -21.191 -3.687 -4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -21.418 -1.070 -3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -20.939 -0.979 -5.548 1.00 0.00 H new ATOM 1921 N LYS A 118 -19.819 -4.541 -6.229 1.00 0.00 N ATOM 1922 CA LYS A 118 -19.149 -5.120 -7.395 1.00 0.00 C ATOM 1923 C LYS A 118 -19.689 -4.602 -8.726 1.00 0.00 C ATOM 1924 O LYS A 118 -19.055 -4.867 -9.748 1.00 0.00 O ATOM 1925 CB LYS A 118 -19.307 -6.643 -7.354 1.00 0.00 C ATOM 1926 CG LYS A 118 -18.528 -7.253 -6.182 1.00 0.00 C ATOM 1927 CD LYS A 118 -19.003 -8.671 -5.887 1.00 0.00 C ATOM 1928 CE LYS A 118 -20.341 -8.634 -5.145 1.00 0.00 C ATOM 1929 NZ LYS A 118 -20.834 -9.973 -4.785 1.00 0.00 N ATOM 0 H LYS A 118 -20.373 -5.221 -5.708 1.00 0.00 H new ATOM 0 HA LYS A 118 -18.102 -4.823 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -20.363 -6.899 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -18.954 -7.073 -8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -17.463 -7.264 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -18.654 -6.632 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -19.110 -9.228 -6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -18.259 -9.194 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -20.232 -8.037 -4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -21.083 -8.135 -5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -21.678 -9.882 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -21.079 -10.497 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -20.094 -10.488 -4.266 1.00 0.00 H new ATOM 1943 N ALA A 119 -20.831 -3.915 -8.725 1.00 0.00 N ATOM 1944 CA ALA A 119 -21.442 -3.392 -9.933 1.00 0.00 C ATOM 1945 C ALA A 119 -20.692 -2.204 -10.519 1.00 0.00 C ATOM 1946 O ALA A 119 -20.584 -2.091 -11.738 1.00 0.00 O ATOM 1947 CB ALA A 119 -22.845 -2.895 -9.595 1.00 0.00 C ATOM 0 H ALA A 119 -21.357 -3.708 -7.876 1.00 0.00 H new ATOM 0 HA ALA A 119 -21.436 -4.203 -10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -23.317 -2.499 -10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -23.440 -3.722 -9.207 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -22.781 -2.109 -8.842 1.00 0.00 H new ATOM 1953 N VAL A 120 -20.213 -1.325 -9.638 1.00 0.00 N ATOM 1954 CA VAL A 120 -19.514 -0.102 -9.995 1.00 0.00 C ATOM 1955 C VAL A 120 -18.386 -0.374 -10.992 1.00 0.00 C ATOM 1956 O VAL A 120 -17.556 -1.268 -10.786 1.00 0.00 O ATOM 1957 CB VAL A 120 -19.071 0.644 -8.723 1.00 0.00 C ATOM 1958 CG1 VAL A 120 -18.439 1.996 -9.068 1.00 0.00 C ATOM 1959 CG2 VAL A 120 -20.264 0.917 -7.788 1.00 0.00 C ATOM 0 H VAL A 120 -20.306 -1.453 -8.630 1.00 0.00 H new ATOM 0 HA VAL A 120 -20.195 0.567 -10.521 1.00 0.00 H new ATOM 0 HB VAL A 120 -18.345 0.001 -8.226 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -18.136 2.501 -8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -17.566 1.838 -9.701 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -19.165 2.612 -9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -19.917 1.445 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -21.002 1.528 -8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -20.719 -0.029 -7.493 1.00 0.00 H new ATOM 1969 N ASP A 121 -18.376 0.399 -12.080 1.00 0.00 N ATOM 1970 CA ASP A 121 -17.389 0.302 -13.140 1.00 0.00 C ATOM 1971 C ASP A 121 -16.029 0.656 -12.573 1.00 0.00 C ATOM 1972 O ASP A 121 -15.750 1.806 -12.217 1.00 0.00 O ATOM 1973 CB ASP A 121 -17.726 1.157 -14.370 1.00 0.00 C ATOM 1974 CG ASP A 121 -18.340 0.349 -15.513 1.00 0.00 C ATOM 1975 OD1 ASP A 121 -18.135 -0.884 -15.592 1.00 0.00 O ATOM 1976 OD2 ASP A 121 -19.005 0.959 -16.378 1.00 0.00 O ATOM 0 H ASP A 121 -19.073 1.125 -12.246 1.00 0.00 H new ATOM 0 HA ASP A 121 -17.387 -0.726 -13.504 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.419 1.946 -14.078 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -16.819 1.645 -14.725 1.00 0.00 H new ATOM 1981 N LEU A 122 -15.169 -0.355 -12.509 1.00 0.00 N ATOM 1982 CA LEU A 122 -13.826 -0.241 -11.983 1.00 0.00 C ATOM 1983 C LEU A 122 -12.996 0.776 -12.749 1.00 0.00 C ATOM 1984 O LEU A 122 -12.161 1.428 -12.147 1.00 0.00 O ATOM 1985 CB LEU A 122 -13.186 -1.641 -11.881 1.00 0.00 C ATOM 1986 CG LEU A 122 -12.543 -1.926 -10.513 1.00 0.00 C ATOM 1987 CD1 LEU A 122 -11.349 -1.013 -10.263 1.00 0.00 C ATOM 1988 CD2 LEU A 122 -13.570 -1.874 -9.362 1.00 0.00 C ATOM 0 H LEU A 122 -15.398 -1.296 -12.831 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.867 0.160 -10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -13.948 -2.395 -12.079 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -12.428 -1.742 -12.658 1.00 0.00 H new ATOM 0 HG LEU A 122 -12.168 -2.949 -10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -10.916 -1.239 -9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -10.600 -1.173 -11.039 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.676 0.027 -10.283 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.068 -2.082 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -14.022 -0.883 -9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.346 -2.621 -9.533 1.00 0.00 H new ATOM 2000 N ALA A 123 -13.250 0.977 -14.037 1.00 0.00 N ATOM 2001 CA ALA A 123 -12.529 1.954 -14.852 1.00 0.00 C ATOM 2002 C ALA A 123 -12.641 3.357 -14.229 1.00 0.00 C ATOM 2003 O ALA A 123 -11.650 4.087 -14.161 1.00 0.00 O ATOM 2004 CB ALA A 123 -13.076 1.944 -16.280 1.00 0.00 C ATOM 0 H ALA A 123 -13.967 0.464 -14.551 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.474 1.683 -14.884 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -12.535 2.674 -16.882 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -12.948 0.951 -16.712 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -14.135 2.200 -16.266 1.00 0.00 H new ATOM 2010 N GLY A 124 -13.827 3.739 -13.749 1.00 0.00 N ATOM 2011 CA GLY A 124 -14.065 5.034 -13.123 1.00 0.00 C ATOM 2012 C GLY A 124 -13.325 5.122 -11.795 1.00 0.00 C ATOM 2013 O GLY A 124 -12.760 6.167 -11.460 1.00 0.00 O ATOM 0 H GLY A 124 -14.657 3.147 -13.787 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -13.733 5.833 -13.786 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -15.134 5.177 -12.962 1.00 0.00 H new ATOM 2017 N LEU A 125 -13.313 4.015 -11.044 1.00 0.00 N ATOM 2018 CA LEU A 125 -12.654 3.919 -9.748 1.00 0.00 C ATOM 2019 C LEU A 125 -11.137 4.000 -9.932 1.00 0.00 C ATOM 2020 O LEU A 125 -10.506 4.855 -9.321 1.00 0.00 O ATOM 2021 CB LEU A 125 -13.128 2.686 -8.966 1.00 0.00 C ATOM 2022 CG LEU A 125 -14.659 2.631 -8.747 1.00 0.00 C ATOM 2023 CD1 LEU A 125 -15.011 1.571 -7.700 1.00 0.00 C ATOM 2024 CD2 LEU A 125 -15.298 3.970 -8.342 1.00 0.00 C ATOM 0 H LEU A 125 -13.770 3.149 -11.330 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.940 4.768 -9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.815 1.788 -9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -12.632 2.671 -7.996 1.00 0.00 H new ATOM 0 HG LEU A 125 -15.075 2.373 -9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -16.091 1.545 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -14.666 0.595 -8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -14.526 1.818 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -16.372 3.836 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -14.858 4.315 -7.406 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -15.118 4.710 -9.122 1.00 0.00 H new ATOM 2036 N THR A 126 -10.539 3.175 -10.792 1.00 0.00 N ATOM 2037 CA THR A 126 -9.109 3.168 -11.082 1.00 0.00 C ATOM 2038 C THR A 126 -8.648 4.584 -11.440 1.00 0.00 C ATOM 2039 O THR A 126 -7.627 5.039 -10.918 1.00 0.00 O ATOM 2040 CB THR A 126 -8.844 2.202 -12.250 1.00 0.00 C ATOM 2041 OG1 THR A 126 -9.275 0.901 -11.911 1.00 0.00 O ATOM 2042 CG2 THR A 126 -7.373 2.114 -12.649 1.00 0.00 C ATOM 0 H THR A 126 -11.055 2.472 -11.321 1.00 0.00 H new ATOM 0 HA THR A 126 -8.550 2.836 -10.207 1.00 0.00 H new ATOM 0 HB THR A 126 -9.401 2.605 -13.096 1.00 0.00 H new ATOM 0 HG1 THR A 126 -10.244 0.834 -12.039 1.00 0.00 H new ATOM 0 HG21 THR A 126 -7.262 1.415 -13.478 1.00 0.00 H new ATOM 0 HG22 THR A 126 -7.019 3.099 -12.955 1.00 0.00 H new ATOM 0 HG23 THR A 126 -6.786 1.766 -11.799 1.00 0.00 H new ATOM 2050 N ALA A 127 -9.413 5.274 -12.293 1.00 0.00 N ATOM 2051 CA ALA A 127 -9.123 6.624 -12.733 1.00 0.00 C ATOM 2052 C ALA A 127 -9.045 7.573 -11.536 1.00 0.00 C ATOM 2053 O ALA A 127 -7.977 8.114 -11.252 1.00 0.00 O ATOM 2054 CB ALA A 127 -10.188 7.063 -13.748 1.00 0.00 C ATOM 0 H ALA A 127 -10.267 4.893 -12.700 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.150 6.653 -13.224 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.975 8.078 -14.083 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -10.175 6.388 -14.604 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -11.171 7.034 -13.279 1.00 0.00 H new ATOM 2060 N ARG A 128 -10.163 7.779 -10.824 1.00 0.00 N ATOM 2061 CA ARG A 128 -10.195 8.688 -9.672 1.00 0.00 C ATOM 2062 C ARG A 128 -9.170 8.311 -8.600 1.00 0.00 C ATOM 2063 O ARG A 128 -8.605 9.208 -7.982 1.00 0.00 O ATOM 2064 CB ARG A 128 -11.623 8.846 -9.114 1.00 0.00 C ATOM 2065 CG ARG A 128 -12.179 7.584 -8.442 1.00 0.00 C ATOM 2066 CD ARG A 128 -13.680 7.686 -8.155 1.00 0.00 C ATOM 2067 NE ARG A 128 -13.966 8.519 -6.981 1.00 0.00 N ATOM 2068 CZ ARG A 128 -15.187 8.818 -6.529 1.00 0.00 C ATOM 2069 NH1 ARG A 128 -16.274 8.566 -7.253 1.00 0.00 N ATOM 2070 NH2 ARG A 128 -15.311 9.373 -5.333 1.00 0.00 N ATOM 0 H ARG A 128 -11.055 7.328 -11.027 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.892 9.672 -10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -11.630 9.662 -8.391 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -12.289 9.134 -9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -11.993 6.723 -9.083 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -11.645 7.408 -7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -14.187 8.102 -9.026 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -14.086 6.687 -7.997 1.00 0.00 H new ATOM 0 HE ARG A 128 -13.170 8.900 -6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -16.185 8.136 -8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -17.196 8.803 -6.888 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -14.481 9.566 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -16.236 9.608 -4.973 1.00 0.00 H new ATOM 2084 N LEU A 129 -8.905 7.018 -8.391 1.00 0.00 N ATOM 2085 CA LEU A 129 -7.939 6.553 -7.405 1.00 0.00 C ATOM 2086 C LEU A 129 -6.550 7.037 -7.809 1.00 0.00 C ATOM 2087 O LEU A 129 -5.917 7.764 -7.046 1.00 0.00 O ATOM 2088 CB LEU A 129 -7.958 5.016 -7.282 1.00 0.00 C ATOM 2089 CG LEU A 129 -9.126 4.432 -6.467 1.00 0.00 C ATOM 2090 CD1 LEU A 129 -9.098 2.901 -6.594 1.00 0.00 C ATOM 2091 CD2 LEU A 129 -9.067 4.836 -4.990 1.00 0.00 C ATOM 0 H LEU A 129 -9.360 6.264 -8.907 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.205 6.961 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -7.988 4.589 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.022 4.694 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 129 -10.056 4.835 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -9.921 2.473 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -9.202 2.621 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -8.152 2.521 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -9.913 4.399 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.137 4.475 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.110 5.922 -4.908 1.00 0.00 H new ATOM 2103 N ALA A 130 -6.076 6.661 -8.997 1.00 0.00 N ATOM 2104 CA ALA A 130 -4.760 7.049 -9.494 1.00 0.00 C ATOM 2105 C ALA A 130 -4.661 8.546 -9.813 1.00 0.00 C ATOM 2106 O ALA A 130 -3.566 9.029 -10.115 1.00 0.00 O ATOM 2107 CB ALA A 130 -4.422 6.225 -10.744 1.00 0.00 C ATOM 0 H ALA A 130 -6.601 6.074 -9.645 1.00 0.00 H new ATOM 0 HA ALA A 130 -4.041 6.847 -8.700 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -3.439 6.514 -11.116 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -4.416 5.165 -10.490 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.170 6.410 -11.515 1.00 0.00 H new ATOM 2113 N HIS A 131 -5.767 9.298 -9.816 1.00 0.00 N ATOM 2114 CA HIS A 131 -5.735 10.721 -10.126 1.00 0.00 C ATOM 2115 C HIS A 131 -5.012 11.545 -9.058 1.00 0.00 C ATOM 2116 O HIS A 131 -4.397 12.539 -9.433 1.00 0.00 O ATOM 2117 CB HIS A 131 -7.145 11.261 -10.388 1.00 0.00 C ATOM 2118 CG HIS A 131 -7.181 12.582 -11.123 1.00 0.00 C ATOM 2119 ND1 HIS A 131 -8.282 13.396 -11.221 1.00 0.00 N ATOM 2120 CD2 HIS A 131 -6.172 13.172 -11.841 1.00 0.00 C ATOM 2121 CE1 HIS A 131 -7.934 14.469 -11.950 1.00 0.00 C ATOM 2122 NE2 HIS A 131 -6.658 14.373 -12.365 1.00 0.00 N ATOM 0 H HIS A 131 -6.697 8.937 -9.605 1.00 0.00 H new ATOM 0 HA HIS A 131 -5.154 10.828 -11.042 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -7.702 10.523 -10.965 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -7.660 11.375 -9.434 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -5.176 12.777 -11.978 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -8.590 15.297 -12.173 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -6.149 15.041 -12.944 1.00 0.00 H new ATOM 2130 N HIS A 132 -5.035 11.128 -7.783 1.00 0.00 N ATOM 2131 CA HIS A 132 -4.380 11.805 -6.658 1.00 0.00 C ATOM 2132 C HIS A 132 -4.539 13.332 -6.752 1.00 0.00 C ATOM 2133 O HIS A 132 -3.571 14.050 -7.016 1.00 0.00 O ATOM 2134 CB HIS A 132 -2.912 11.342 -6.585 1.00 0.00 C ATOM 2135 CG HIS A 132 -2.742 9.854 -6.376 1.00 0.00 C ATOM 2136 ND1 HIS A 132 -1.887 9.011 -7.058 1.00 0.00 N ATOM 2137 CD2 HIS A 132 -3.354 9.114 -5.404 1.00 0.00 C ATOM 2138 CE1 HIS A 132 -1.989 7.788 -6.515 1.00 0.00 C ATOM 2139 NE2 HIS A 132 -2.834 7.819 -5.468 1.00 0.00 N ATOM 0 H HIS A 132 -5.527 10.281 -7.499 1.00 0.00 H new ATOM 0 HA HIS A 132 -4.864 11.528 -5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -2.406 11.628 -7.507 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -2.416 11.871 -5.771 1.00 0.00 H new ATOM 0 HD1 HIS A 132 -1.284 9.272 -7.838 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -4.104 9.466 -4.712 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -1.470 6.909 -6.866 1.00 0.00 H new ATOM 2147 N VAL A 133 -5.778 13.801 -6.570 1.00 0.00 N ATOM 2148 CA VAL A 133 -6.148 15.214 -6.614 1.00 0.00 C ATOM 2149 C VAL A 133 -6.599 15.716 -5.240 1.00 0.00 C ATOM 2150 O VAL A 133 -6.179 16.796 -4.824 1.00 0.00 O ATOM 2151 CB VAL A 133 -7.206 15.490 -7.700 1.00 0.00 C ATOM 2152 CG1 VAL A 133 -6.519 15.756 -9.045 1.00 0.00 C ATOM 2153 CG2 VAL A 133 -8.266 14.384 -7.873 1.00 0.00 C ATOM 0 H VAL A 133 -6.572 13.188 -6.383 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.256 15.778 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 133 -7.749 16.369 -7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -7.274 15.950 -9.807 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.864 16.623 -8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.930 14.885 -9.331 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.965 14.670 -8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.776 13.450 -8.146 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.808 14.250 -6.937 1.00 0.00 H new ATOM 2163 N HIS A 134 -7.486 14.979 -4.570 1.00 0.00 N ATOM 2164 CA HIS A 134 -8.013 15.283 -3.234 1.00 0.00 C ATOM 2165 C HIS A 134 -7.553 14.227 -2.212 1.00 0.00 C ATOM 2166 O HIS A 134 -8.226 13.971 -1.211 1.00 0.00 O ATOM 2167 CB HIS A 134 -9.535 15.513 -3.288 1.00 0.00 C ATOM 2168 CG HIS A 134 -10.349 14.401 -3.905 1.00 0.00 C ATOM 2169 ND1 HIS A 134 -11.186 14.530 -4.991 1.00 0.00 N ATOM 2170 CD2 HIS A 134 -10.454 13.114 -3.451 1.00 0.00 C ATOM 2171 CE1 HIS A 134 -11.776 13.340 -5.197 1.00 0.00 C ATOM 2172 NE2 HIS A 134 -11.360 12.441 -4.284 1.00 0.00 N ATOM 0 H HIS A 134 -7.874 14.119 -4.957 1.00 0.00 H new ATOM 0 HA HIS A 134 -7.595 16.224 -2.878 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -9.894 15.679 -2.272 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -9.725 16.429 -3.847 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -9.933 12.693 -2.604 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -12.485 13.133 -5.985 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -11.647 11.465 -4.213 1.00 0.00 H new ATOM 2180 N ALA A 135 -6.495 13.493 -2.551 1.00 0.00 N ATOM 2181 CA ALA A 135 -5.875 12.460 -1.746 1.00 0.00 C ATOM 2182 C ALA A 135 -4.671 13.071 -1.031 1.00 0.00 C ATOM 2183 O ALA A 135 -4.282 14.217 -1.240 1.00 0.00 O ATOM 2184 CB ALA A 135 -5.470 11.290 -2.650 1.00 0.00 C ATOM 0 H ALA A 135 -6.026 13.616 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 135 -6.566 12.073 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -5.003 10.510 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -6.355 10.887 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -4.764 11.640 -3.403 1.00 0.00 H new ATOM 2190 N GLU A 136 -4.034 12.228 -0.246 1.00 0.00 N ATOM 2191 CA GLU A 136 -2.882 12.502 0.588 1.00 0.00 C ATOM 2192 C GLU A 136 -1.851 11.369 0.511 1.00 0.00 C ATOM 2193 O GLU A 136 -0.692 11.574 0.864 1.00 0.00 O ATOM 2194 CB GLU A 136 -3.386 12.722 2.030 1.00 0.00 C ATOM 2195 CG GLU A 136 -4.170 11.544 2.652 1.00 0.00 C ATOM 2196 CD GLU A 136 -5.540 11.270 2.006 1.00 0.00 C ATOM 2197 OE1 GLU A 136 -6.557 11.884 2.413 1.00 0.00 O ATOM 2198 OE2 GLU A 136 -5.586 10.432 1.075 1.00 0.00 O ATOM 0 H GLU A 136 -4.332 11.256 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 136 -2.369 13.397 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.528 12.940 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -4.024 13.606 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -3.562 10.642 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -4.318 11.744 3.713 1.00 0.00 H new ATOM 2205 N GLY A 137 -2.225 10.186 0.009 1.00 0.00 N ATOM 2206 CA GLY A 137 -1.305 9.064 -0.103 1.00 0.00 C ATOM 2207 C GLY A 137 -1.224 8.334 1.227 1.00 0.00 C ATOM 2208 O GLY A 137 -0.169 8.320 1.863 1.00 0.00 O ATOM 0 H GLY A 137 -3.167 9.987 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -1.642 8.382 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -0.317 9.419 -0.395 1.00 0.00 H new ATOM 2212 N LEU A 138 -2.360 7.779 1.651 1.00 0.00 N ATOM 2213 CA LEU A 138 -2.527 7.013 2.884 1.00 0.00 C ATOM 2214 C LEU A 138 -1.725 5.731 2.741 1.00 0.00 C ATOM 2215 O LEU A 138 -0.889 5.441 3.628 1.00 0.00 O ATOM 2216 CB LEU A 138 -4.041 6.771 3.094 1.00 0.00 C ATOM 2217 CG LEU A 138 -4.684 7.925 3.883 1.00 0.00 C ATOM 2218 CD1 LEU A 138 -6.124 8.184 3.438 1.00 0.00 C ATOM 2219 CD2 LEU A 138 -4.628 7.642 5.386 1.00 0.00 C ATOM 0 H LEU A 138 -3.227 7.855 1.119 1.00 0.00 H new ATOM 0 HA LEU A 138 -2.158 7.536 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.533 6.669 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -4.191 5.833 3.629 1.00 0.00 H new ATOM 0 HG LEU A 138 -4.110 8.827 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -6.542 9.006 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -6.136 8.445 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -6.721 7.286 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -5.087 8.468 5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -5.168 6.720 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -3.589 7.536 5.698 1.00 0.00 H new TER 2231 LEU A 138