USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 888 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: B 7 TYR OH : rot 40:sc= 1.03 USER MOD Set 1.2: B 47 ASN : amide:sc= 0.854 K(o=1.9,f=-1.6) USER MOD Set 2.1: A 7 TYR OH : rot 38:sc= 1.04 USER MOD Set 2.2: A 47 ASN : amide:sc= 0.866 K(o=1.9,f=-1.5) USER MOD Single : A 3 TYR OH : rot -152:sc= 1.49 USER MOD Single : A 6 SER OG : rot 43:sc= -0.667 USER MOD Single : A 15 ASN : amide:sc= -1.03 X(o=-1,f=-1.4) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= 1.21 (180deg=1.05) USER MOD Single : A 24 LYS NZ :NH3+ -132:sc= 2.15 (180deg=-0.195) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= -0.0206 (180deg=-0.22) USER MOD Single : A 29 SER OG : rot 62:sc= 0.938 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0515) USER MOD Single : A 50 ASN : amide:sc= 0.897 K(o=0.9,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.14) USER MOD Single : B 3 TYR OH : rot -153:sc= 1.54 USER MOD Single : B 6 SER OG : rot 44:sc= -0.724 USER MOD Single : B 15 ASN : amide:sc= -0.982 X(o=-0.98,f=-1.2) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.14) USER MOD Single : B 24 LYS NZ :NH3+ -134:sc= 2.23 (180deg=-0.148) USER MOD Single : B 25 LYS NZ :NH3+ -170:sc= -0.0332 (180deg=-0.228) USER MOD Single : B 29 SER OG : rot 61:sc= 0.894 USER MOD Single : B 40 ASN : amide:sc= -0.0074 X(o=-0.0074,f=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0387) USER MOD Single : B 50 ASN : amide:sc= 0.862 K(o=0.86,f=0) USER MOD Single : B 57 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 30 N ARG A 2 3.543 -0.146 7.193 1.00 0.00 N ATOM 31 CA ARG A 2 3.424 1.296 6.971 1.00 0.00 C ATOM 32 C ARG A 2 4.195 1.766 5.739 1.00 0.00 C ATOM 33 O ARG A 2 3.690 2.572 4.962 1.00 0.00 O ATOM 34 CB ARG A 2 3.843 2.099 8.214 1.00 0.00 C ATOM 35 CG ARG A 2 5.227 1.769 8.746 1.00 0.00 C ATOM 36 CD ARG A 2 5.680 2.776 9.797 1.00 0.00 C ATOM 37 NE ARG A 2 4.753 2.883 10.924 1.00 0.00 N ATOM 38 CZ ARG A 2 4.980 3.635 12.004 1.00 0.00 C ATOM 39 NH1 ARG A 2 6.106 4.329 12.117 1.00 0.00 N ATOM 40 NH2 ARG A 2 4.076 3.688 12.970 1.00 0.00 N ATOM 0 HA ARG A 2 2.368 1.487 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.805 3.161 7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.114 1.925 9.005 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.222 0.768 9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.941 1.757 7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.663 2.487 10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.790 3.755 9.330 1.00 0.00 H new ATOM 0 HE ARG A 2 3.883 2.352 10.882 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.806 4.290 11.376 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.272 4.901 12.945 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.210 3.156 12.888 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.246 4.261 13.796 1.00 0.00 H new ATOM 54 N TYR A 3 5.395 1.244 5.537 1.00 0.00 N ATOM 55 CA TYR A 3 6.229 1.701 4.431 1.00 0.00 C ATOM 56 C TYR A 3 5.810 1.085 3.114 1.00 0.00 C ATOM 57 O TYR A 3 6.031 1.674 2.069 1.00 0.00 O ATOM 58 CB TYR A 3 7.696 1.398 4.698 1.00 0.00 C ATOM 59 CG TYR A 3 8.145 1.907 6.037 1.00 0.00 C ATOM 60 CD1 TYR A 3 7.795 3.180 6.449 1.00 0.00 C ATOM 61 CD2 TYR A 3 8.875 1.110 6.904 1.00 0.00 C ATOM 62 CE1 TYR A 3 8.157 3.652 7.681 1.00 0.00 C ATOM 63 CE2 TYR A 3 9.255 1.580 8.143 1.00 0.00 C ATOM 64 CZ TYR A 3 8.887 2.853 8.532 1.00 0.00 C ATOM 65 OH TYR A 3 9.232 3.330 9.776 1.00 0.00 O ATOM 0 H TYR A 3 5.811 0.513 6.114 1.00 0.00 H new ATOM 0 HA TYR A 3 6.094 2.780 4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.858 0.321 4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.307 1.849 3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.225 3.814 5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.149 0.109 6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 3 7.871 4.648 7.985 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.837 0.956 8.805 1.00 0.00 H new ATOM 0 HH TYR A 3 10.062 2.902 10.072 1.00 0.00 H new ATOM 75 N VAL A 4 5.200 -0.090 3.157 1.00 0.00 N ATOM 76 CA VAL A 4 4.793 -0.762 1.931 1.00 0.00 C ATOM 77 C VAL A 4 3.609 -0.037 1.302 1.00 0.00 C ATOM 78 O VAL A 4 3.483 0.020 0.086 1.00 0.00 O ATOM 79 CB VAL A 4 4.451 -2.250 2.172 1.00 0.00 C ATOM 80 CG1 VAL A 4 4.066 -2.939 0.881 1.00 0.00 C ATOM 81 CG2 VAL A 4 5.633 -2.960 2.787 1.00 0.00 C ATOM 0 H VAL A 4 4.978 -0.593 4.016 1.00 0.00 H new ATOM 0 HA VAL A 4 5.638 -0.732 1.243 1.00 0.00 H new ATOM 0 HB VAL A 4 3.602 -2.292 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.831 -3.984 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.193 -2.447 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.896 -2.883 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.382 -4.008 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.488 -2.894 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.884 -2.492 3.739 1.00 0.00 H new ATOM 91 N ALA A 5 2.770 0.544 2.142 1.00 0.00 N ATOM 92 CA ALA A 5 1.648 1.351 1.681 1.00 0.00 C ATOM 93 C ALA A 5 2.129 2.494 0.784 1.00 0.00 C ATOM 94 O ALA A 5 1.699 2.640 -0.371 1.00 0.00 O ATOM 95 CB ALA A 5 0.912 1.903 2.884 1.00 0.00 C ATOM 0 H ALA A 5 2.844 0.472 3.157 1.00 0.00 H new ATOM 0 HA ALA A 5 0.977 0.726 1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.070 2.509 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.545 1.079 3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.590 2.519 3.474 1.00 0.00 H new ATOM 101 N SER A 6 3.051 3.282 1.318 1.00 0.00 N ATOM 102 CA SER A 6 3.617 4.409 0.600 1.00 0.00 C ATOM 103 C SER A 6 4.560 3.933 -0.499 1.00 0.00 C ATOM 104 O SER A 6 4.636 4.543 -1.565 1.00 0.00 O ATOM 105 CB SER A 6 4.339 5.318 1.588 1.00 0.00 C ATOM 106 OG SER A 6 4.810 4.567 2.693 1.00 0.00 O ATOM 0 H SER A 6 3.425 3.157 2.259 1.00 0.00 H new ATOM 0 HA SER A 6 2.816 4.971 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.175 5.813 1.093 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.664 6.101 1.933 1.00 0.00 H new ATOM 0 HG SER A 6 5.200 3.726 2.375 1.00 0.00 H new ATOM 112 N TYR A 7 5.274 2.842 -0.228 1.00 0.00 N ATOM 113 CA TYR A 7 6.130 2.211 -1.227 1.00 0.00 C ATOM 114 C TYR A 7 5.308 1.878 -2.467 1.00 0.00 C ATOM 115 O TYR A 7 5.703 2.195 -3.595 1.00 0.00 O ATOM 116 CB TYR A 7 6.782 0.941 -0.651 1.00 0.00 C ATOM 117 CG TYR A 7 7.504 0.099 -1.670 1.00 0.00 C ATOM 118 CD1 TYR A 7 8.830 0.345 -1.979 1.00 0.00 C ATOM 119 CD2 TYR A 7 6.855 -0.941 -2.320 1.00 0.00 C ATOM 120 CE1 TYR A 7 9.498 -0.420 -2.914 1.00 0.00 C ATOM 121 CE2 TYR A 7 7.513 -1.714 -3.255 1.00 0.00 C ATOM 122 CZ TYR A 7 8.833 -1.450 -3.553 1.00 0.00 C ATOM 123 OH TYR A 7 9.484 -2.212 -4.496 1.00 0.00 O ATOM 0 H TYR A 7 5.275 2.376 0.679 1.00 0.00 H new ATOM 0 HA TYR A 7 6.925 2.903 -1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.486 1.230 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 7 6.011 0.334 -0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.351 1.149 -1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.820 -1.149 -2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.533 -0.215 -3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.996 -2.522 -3.751 1.00 0.00 H new ATOM 0 HH TYR A 7 10.409 -2.366 -4.211 1.00 0.00 H new ATOM 133 N LEU A 8 4.154 1.254 -2.244 1.00 0.00 N ATOM 134 CA LEU A 8 3.236 0.929 -3.322 1.00 0.00 C ATOM 135 C LEU A 8 2.841 2.190 -4.074 1.00 0.00 C ATOM 136 O LEU A 8 3.118 2.313 -5.265 1.00 0.00 O ATOM 137 CB LEU A 8 1.974 0.235 -2.790 1.00 0.00 C ATOM 138 CG LEU A 8 1.935 -1.283 -2.930 1.00 0.00 C ATOM 139 CD1 LEU A 8 3.024 -1.926 -2.102 1.00 0.00 C ATOM 140 CD2 LEU A 8 0.572 -1.815 -2.518 1.00 0.00 C ATOM 0 H LEU A 8 3.835 0.964 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 8 3.748 0.245 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.863 0.485 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.110 0.650 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 8 2.108 -1.536 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.977 -3.009 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.997 -1.567 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.884 -1.666 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.558 -2.900 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.376 -1.548 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.197 -1.379 -3.156 1.00 0.00 H new ATOM 152 N LEU A 9 2.209 3.134 -3.365 1.00 0.00 N ATOM 153 CA LEU A 9 1.784 4.400 -3.980 1.00 0.00 C ATOM 154 C LEU A 9 2.886 5.038 -4.823 1.00 0.00 C ATOM 155 O LEU A 9 2.651 5.424 -5.967 1.00 0.00 O ATOM 156 CB LEU A 9 1.345 5.409 -2.917 1.00 0.00 C ATOM 157 CG LEU A 9 -0.091 5.275 -2.422 1.00 0.00 C ATOM 158 CD1 LEU A 9 -0.373 6.328 -1.388 1.00 0.00 C ATOM 159 CD2 LEU A 9 -1.079 5.416 -3.560 1.00 0.00 C ATOM 0 H LEU A 9 1.982 3.048 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 9 0.946 4.150 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.014 5.319 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.477 6.413 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.205 4.283 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.400 6.228 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.311 6.205 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.234 7.316 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.094 5.316 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.962 6.395 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.894 4.639 -4.301 1.00 0.00 H new ATOM 171 N ALA A 10 4.082 5.144 -4.256 1.00 0.00 N ATOM 172 CA ALA A 10 5.200 5.780 -4.945 1.00 0.00 C ATOM 173 C ALA A 10 5.573 5.008 -6.208 1.00 0.00 C ATOM 174 O ALA A 10 5.950 5.597 -7.222 1.00 0.00 O ATOM 175 CB ALA A 10 6.405 5.885 -4.019 1.00 0.00 C ATOM 0 H ALA A 10 4.303 4.798 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 10 4.890 6.784 -5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.230 6.362 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.142 6.481 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.707 4.887 -3.700 1.00 0.00 H new ATOM 181 N ALA A 11 5.457 3.685 -6.141 1.00 0.00 N ATOM 182 CA ALA A 11 5.749 2.829 -7.283 1.00 0.00 C ATOM 183 C ALA A 11 4.753 3.071 -8.409 1.00 0.00 C ATOM 184 O ALA A 11 5.116 3.074 -9.588 1.00 0.00 O ATOM 185 CB ALA A 11 5.724 1.364 -6.865 1.00 0.00 C ATOM 0 H ALA A 11 5.162 3.182 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 11 6.746 3.075 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.944 0.736 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.473 1.193 -6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.737 1.113 -6.476 1.00 0.00 H new ATOM 191 N LEU A 12 3.501 3.292 -8.033 1.00 0.00 N ATOM 192 CA LEU A 12 2.418 3.438 -9.003 1.00 0.00 C ATOM 193 C LEU A 12 2.378 4.854 -9.565 1.00 0.00 C ATOM 194 O LEU A 12 1.791 5.100 -10.617 1.00 0.00 O ATOM 195 CB LEU A 12 1.075 3.112 -8.344 1.00 0.00 C ATOM 196 CG LEU A 12 1.146 2.045 -7.250 1.00 0.00 C ATOM 197 CD1 LEU A 12 -0.199 1.841 -6.593 1.00 0.00 C ATOM 198 CD2 LEU A 12 1.686 0.733 -7.801 1.00 0.00 C ATOM 0 H LEU A 12 3.207 3.375 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 12 2.601 2.742 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.664 4.026 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.379 2.779 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 12 1.838 2.401 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.114 1.077 -5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.530 2.777 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.925 1.522 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.726 -0.008 -7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.031 0.375 -8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.688 0.891 -8.200 1.00 0.00 H new ATOM 210 N GLY A 13 3.014 5.776 -8.859 1.00 0.00 N ATOM 211 CA GLY A 13 2.952 7.171 -9.241 1.00 0.00 C ATOM 212 C GLY A 13 4.245 7.664 -9.850 1.00 0.00 C ATOM 213 O GLY A 13 4.444 8.868 -10.005 1.00 0.00 O ATOM 0 H GLY A 13 3.572 5.583 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.141 7.313 -9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.714 7.774 -8.365 1.00 0.00 H new ATOM 217 N GLY A 14 5.128 6.739 -10.192 1.00 0.00 N ATOM 218 CA GLY A 14 6.387 7.121 -10.791 1.00 0.00 C ATOM 219 C GLY A 14 7.195 5.934 -11.265 1.00 0.00 C ATOM 220 O GLY A 14 7.226 5.630 -12.459 1.00 0.00 O ATOM 0 H GLY A 14 4.996 5.735 -10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.196 7.785 -11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.972 7.687 -10.066 1.00 0.00 H new ATOM 224 N ASN A 15 7.818 5.236 -10.331 1.00 0.00 N ATOM 225 CA ASN A 15 8.782 4.193 -10.672 1.00 0.00 C ATOM 226 C ASN A 15 8.725 3.054 -9.664 1.00 0.00 C ATOM 227 O ASN A 15 8.527 3.284 -8.472 1.00 0.00 O ATOM 228 CB ASN A 15 10.192 4.795 -10.709 1.00 0.00 C ATOM 229 CG ASN A 15 11.280 3.785 -11.033 1.00 0.00 C ATOM 230 OD1 ASN A 15 11.060 2.817 -11.767 1.00 0.00 O ATOM 231 ND2 ASN A 15 12.463 4.005 -10.481 1.00 0.00 N ATOM 0 H ASN A 15 7.677 5.369 -9.330 1.00 0.00 H new ATOM 0 HA ASN A 15 8.532 3.790 -11.653 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.217 5.593 -11.451 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.408 5.251 -9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.235 3.362 -10.656 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.602 4.818 -9.880 1.00 0.00 H new ATOM 238 N SER A 16 8.908 1.828 -10.147 1.00 0.00 N ATOM 239 CA SER A 16 8.922 0.648 -9.290 1.00 0.00 C ATOM 240 C SER A 16 10.249 0.524 -8.547 1.00 0.00 C ATOM 241 O SER A 16 10.840 -0.552 -8.476 1.00 0.00 O ATOM 242 CB SER A 16 8.704 -0.602 -10.122 1.00 0.00 C ATOM 243 OG SER A 16 7.572 -0.462 -10.967 1.00 0.00 O ATOM 0 H SER A 16 9.050 1.626 -11.137 1.00 0.00 H new ATOM 0 HA SER A 16 8.118 0.756 -8.562 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.590 -0.800 -10.725 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.567 -1.461 -9.465 1.00 0.00 H new ATOM 0 HG SER A 16 7.454 -1.280 -11.494 1.00 0.00 H new ATOM 249 N SER A 17 10.712 1.638 -8.021 1.00 0.00 N ATOM 250 CA SER A 17 11.948 1.693 -7.269 1.00 0.00 C ATOM 251 C SER A 17 11.983 3.027 -6.528 1.00 0.00 C ATOM 252 O SER A 17 12.801 3.905 -6.811 1.00 0.00 O ATOM 253 CB SER A 17 13.142 1.534 -8.213 1.00 0.00 C ATOM 254 OG SER A 17 14.353 1.351 -7.496 1.00 0.00 O ATOM 0 H SER A 17 10.238 2.537 -8.104 1.00 0.00 H new ATOM 0 HA SER A 17 12.004 0.879 -6.546 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.975 0.681 -8.871 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.224 2.416 -8.849 1.00 0.00 H new ATOM 0 HG SER A 17 15.095 1.251 -8.128 1.00 0.00 H new ATOM 260 N PRO A 18 11.049 3.186 -5.580 1.00 0.00 N ATOM 261 CA PRO A 18 10.795 4.447 -4.891 1.00 0.00 C ATOM 262 C PRO A 18 11.823 4.741 -3.805 1.00 0.00 C ATOM 263 O PRO A 18 12.298 3.836 -3.113 1.00 0.00 O ATOM 264 CB PRO A 18 9.398 4.243 -4.272 1.00 0.00 C ATOM 265 CG PRO A 18 8.924 2.914 -4.772 1.00 0.00 C ATOM 266 CD PRO A 18 10.160 2.138 -5.085 1.00 0.00 C ATOM 0 HA PRO A 18 10.856 5.297 -5.570 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.446 4.257 -3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.717 5.040 -4.571 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.321 2.405 -4.020 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.299 3.029 -5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.565 1.640 -4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.980 1.366 -5.833 1.00 0.00 H new ATOM 274 N SER A 19 12.163 6.012 -3.665 1.00 0.00 N ATOM 275 CA SER A 19 13.098 6.444 -2.647 1.00 0.00 C ATOM 276 C SER A 19 12.407 6.491 -1.294 1.00 0.00 C ATOM 277 O SER A 19 11.232 6.851 -1.192 1.00 0.00 O ATOM 278 CB SER A 19 13.657 7.823 -2.998 1.00 0.00 C ATOM 279 OG SER A 19 14.560 8.281 -2.006 1.00 0.00 O ATOM 0 H SER A 19 11.801 6.765 -4.250 1.00 0.00 H new ATOM 0 HA SER A 19 13.922 5.732 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.165 7.777 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.837 8.534 -3.103 1.00 0.00 H new ATOM 0 HG SER A 19 14.903 9.164 -2.258 1.00 0.00 H new ATOM 285 N ALA A 20 13.151 6.120 -0.259 1.00 0.00 N ATOM 286 CA ALA A 20 12.636 6.095 1.101 1.00 0.00 C ATOM 287 C ALA A 20 12.187 7.483 1.549 1.00 0.00 C ATOM 288 O ALA A 20 11.333 7.618 2.423 1.00 0.00 O ATOM 289 CB ALA A 20 13.695 5.555 2.047 1.00 0.00 C ATOM 0 H ALA A 20 14.125 5.829 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 20 11.766 5.439 1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.301 5.540 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.968 4.543 1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.577 6.195 2.009 1.00 0.00 H new ATOM 295 N LYS A 21 12.767 8.514 0.946 1.00 0.00 N ATOM 296 CA LYS A 21 12.400 9.884 1.270 1.00 0.00 C ATOM 297 C LYS A 21 10.998 10.178 0.766 1.00 0.00 C ATOM 298 O LYS A 21 10.193 10.814 1.453 1.00 0.00 O ATOM 299 CB LYS A 21 13.399 10.866 0.670 1.00 0.00 C ATOM 300 CG LYS A 21 14.853 10.548 1.003 1.00 0.00 C ATOM 301 CD LYS A 21 15.107 10.538 2.505 1.00 0.00 C ATOM 302 CE LYS A 21 16.556 10.236 2.817 1.00 0.00 C ATOM 303 NZ LYS A 21 16.831 10.210 4.280 1.00 0.00 N ATOM 0 H LYS A 21 13.491 8.426 0.233 1.00 0.00 H new ATOM 0 HA LYS A 21 12.418 10.002 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.278 10.876 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.166 11.870 1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.116 9.577 0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.502 11.285 0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.836 11.505 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.468 9.793 2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.825 9.273 2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.190 10.986 2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.852 10.322 4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.318 10.987 4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.515 9.302 4.677 1.00 0.00 H new ATOM 317 N ASP A 22 10.701 9.686 -0.431 1.00 0.00 N ATOM 318 CA ASP A 22 9.364 9.805 -0.989 1.00 0.00 C ATOM 319 C ASP A 22 8.378 9.097 -0.079 1.00 0.00 C ATOM 320 O ASP A 22 7.311 9.621 0.220 1.00 0.00 O ATOM 321 CB ASP A 22 9.288 9.202 -2.394 1.00 0.00 C ATOM 322 CG ASP A 22 10.063 9.990 -3.428 1.00 0.00 C ATOM 323 OD1 ASP A 22 11.187 9.579 -3.776 1.00 0.00 O ATOM 324 OD2 ASP A 22 9.548 11.018 -3.915 1.00 0.00 O ATOM 0 H ASP A 22 11.369 9.202 -1.031 1.00 0.00 H new ATOM 0 HA ASP A 22 9.117 10.864 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.670 8.181 -2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.244 9.143 -2.700 1.00 0.00 H new ATOM 329 N ILE A 23 8.767 7.906 0.369 1.00 0.00 N ATOM 330 CA ILE A 23 7.970 7.123 1.307 1.00 0.00 C ATOM 331 C ILE A 23 7.598 7.964 2.518 1.00 0.00 C ATOM 332 O ILE A 23 6.424 8.053 2.881 1.00 0.00 O ATOM 333 CB ILE A 23 8.747 5.877 1.780 1.00 0.00 C ATOM 334 CG1 ILE A 23 9.259 5.081 0.582 1.00 0.00 C ATOM 335 CG2 ILE A 23 7.876 4.999 2.665 1.00 0.00 C ATOM 336 CD1 ILE A 23 8.170 4.459 -0.246 1.00 0.00 C ATOM 0 H ILE A 23 9.641 7.458 0.093 1.00 0.00 H new ATOM 0 HA ILE A 23 7.064 6.806 0.790 1.00 0.00 H new ATOM 0 HB ILE A 23 9.602 6.213 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.853 5.739 -0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.925 4.295 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.446 4.127 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.558 5.566 3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.999 4.674 2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.613 3.911 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.589 3.774 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.516 5.240 -0.634 1.00 0.00 H new ATOM 348 N LYS A 24 8.609 8.593 3.119 1.00 0.00 N ATOM 349 CA LYS A 24 8.406 9.477 4.263 1.00 0.00 C ATOM 350 C LYS A 24 7.353 10.532 3.950 1.00 0.00 C ATOM 351 O LYS A 24 6.423 10.742 4.722 1.00 0.00 O ATOM 352 CB LYS A 24 9.715 10.174 4.636 1.00 0.00 C ATOM 353 CG LYS A 24 10.812 9.242 5.109 1.00 0.00 C ATOM 354 CD LYS A 24 12.125 9.991 5.241 1.00 0.00 C ATOM 355 CE LYS A 24 13.245 9.093 5.722 1.00 0.00 C ATOM 356 NZ LYS A 24 13.060 8.671 7.135 1.00 0.00 N ATOM 0 H LYS A 24 9.583 8.504 2.828 1.00 0.00 H new ATOM 0 HA LYS A 24 8.065 8.867 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.076 10.729 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.513 10.903 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.537 8.805 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.926 8.418 4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.395 10.422 4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.001 10.820 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.299 8.210 5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.196 9.616 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.947 8.813 7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.306 9.239 7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.797 7.665 7.165 1.00 0.00 H new ATOM 370 N LYS A 25 7.506 11.179 2.799 1.00 0.00 N ATOM 371 CA LYS A 25 6.581 12.212 2.359 1.00 0.00 C ATOM 372 C LYS A 25 5.141 11.688 2.277 1.00 0.00 C ATOM 373 O LYS A 25 4.201 12.326 2.765 1.00 0.00 O ATOM 374 CB LYS A 25 7.032 12.734 0.999 1.00 0.00 C ATOM 375 CG LYS A 25 6.080 13.728 0.385 1.00 0.00 C ATOM 376 CD LYS A 25 6.134 15.060 1.089 1.00 0.00 C ATOM 377 CE LYS A 25 5.117 16.025 0.518 1.00 0.00 C ATOM 378 NZ LYS A 25 5.328 16.267 -0.933 1.00 0.00 N ATOM 0 H LYS A 25 8.272 11.002 2.149 1.00 0.00 H new ATOM 0 HA LYS A 25 6.589 13.020 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.011 13.200 1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.152 11.891 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.324 13.863 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.065 13.334 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.947 14.919 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.134 15.484 0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.114 15.629 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.175 16.972 1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.750 17.076 -1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.332 16.473 -1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.050 15.421 -1.470 1.00 0.00 H new ATOM 392 N ILE A 26 4.972 10.521 1.672 1.00 0.00 N ATOM 393 CA ILE A 26 3.647 9.956 1.474 1.00 0.00 C ATOM 394 C ILE A 26 3.030 9.551 2.813 1.00 0.00 C ATOM 395 O ILE A 26 1.833 9.723 3.038 1.00 0.00 O ATOM 396 CB ILE A 26 3.686 8.750 0.526 1.00 0.00 C ATOM 397 CG1 ILE A 26 4.600 9.034 -0.658 1.00 0.00 C ATOM 398 CG2 ILE A 26 2.284 8.468 0.023 1.00 0.00 C ATOM 399 CD1 ILE A 26 4.910 7.810 -1.478 1.00 0.00 C ATOM 0 H ILE A 26 5.735 9.949 1.311 1.00 0.00 H new ATOM 0 HA ILE A 26 3.027 10.726 1.016 1.00 0.00 H new ATOM 0 HB ILE A 26 4.071 7.885 1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.132 9.783 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.533 9.464 -0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.305 7.612 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.632 8.249 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.906 9.341 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.565 8.083 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.406 7.068 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.984 7.392 -1.872 1.00 0.00 H new ATOM 411 N LEU A 27 3.862 9.027 3.703 1.00 0.00 N ATOM 412 CA LEU A 27 3.449 8.740 5.076 1.00 0.00 C ATOM 413 C LEU A 27 3.071 10.030 5.786 1.00 0.00 C ATOM 414 O LEU A 27 2.071 10.084 6.490 1.00 0.00 O ATOM 415 CB LEU A 27 4.571 8.017 5.825 1.00 0.00 C ATOM 416 CG LEU A 27 4.907 6.631 5.275 1.00 0.00 C ATOM 417 CD1 LEU A 27 6.357 6.291 5.537 1.00 0.00 C ATOM 418 CD2 LEU A 27 4.022 5.573 5.895 1.00 0.00 C ATOM 0 H LEU A 27 4.833 8.790 3.500 1.00 0.00 H new ATOM 0 HA LEU A 27 2.576 8.088 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.469 8.634 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.288 7.920 6.873 1.00 0.00 H new ATOM 0 HG LEU A 27 4.732 6.651 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.576 5.301 5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.997 7.028 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.544 6.299 6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.282 4.596 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.167 5.565 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.979 5.794 5.671 1.00 0.00 H new ATOM 430 N ASP A 28 3.849 11.081 5.571 1.00 0.00 N ATOM 431 CA ASP A 28 3.544 12.390 6.142 1.00 0.00 C ATOM 432 C ASP A 28 2.231 12.943 5.604 1.00 0.00 C ATOM 433 O ASP A 28 1.569 13.739 6.273 1.00 0.00 O ATOM 434 CB ASP A 28 4.665 13.395 5.867 1.00 0.00 C ATOM 435 CG ASP A 28 5.728 13.402 6.944 1.00 0.00 C ATOM 436 OD1 ASP A 28 6.928 13.294 6.609 1.00 0.00 O ATOM 437 OD2 ASP A 28 5.372 13.543 8.133 1.00 0.00 O ATOM 0 H ASP A 28 4.697 11.055 5.005 1.00 0.00 H new ATOM 0 HA ASP A 28 3.452 12.246 7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.128 13.162 4.908 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.237 14.394 5.780 1.00 0.00 H new ATOM 442 N SER A 29 1.855 12.528 4.399 1.00 0.00 N ATOM 443 CA SER A 29 0.616 12.992 3.792 1.00 0.00 C ATOM 444 C SER A 29 -0.607 12.401 4.505 1.00 0.00 C ATOM 445 O SER A 29 -1.690 12.988 4.485 1.00 0.00 O ATOM 446 CB SER A 29 0.597 12.634 2.305 1.00 0.00 C ATOM 447 OG SER A 29 1.745 13.150 1.645 1.00 0.00 O ATOM 0 H SER A 29 2.389 11.874 3.827 1.00 0.00 H new ATOM 0 HA SER A 29 0.568 14.076 3.896 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.561 11.551 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.305 13.035 1.842 1.00 0.00 H new ATOM 0 HG SER A 29 2.552 12.748 2.029 1.00 0.00 H new ATOM 453 N VAL A 30 -0.426 11.245 5.141 1.00 0.00 N ATOM 454 CA VAL A 30 -1.520 10.580 5.848 1.00 0.00 C ATOM 455 C VAL A 30 -1.292 10.583 7.362 1.00 0.00 C ATOM 456 O VAL A 30 -2.183 10.222 8.133 1.00 0.00 O ATOM 457 CB VAL A 30 -1.718 9.132 5.341 1.00 0.00 C ATOM 458 CG1 VAL A 30 -2.264 9.145 3.928 1.00 0.00 C ATOM 459 CG2 VAL A 30 -0.407 8.373 5.386 1.00 0.00 C ATOM 0 H VAL A 30 0.465 10.750 5.182 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.428 11.146 5.638 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.434 8.630 5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.400 8.121 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.223 9.663 3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.563 9.661 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.563 7.356 5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.325 8.874 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.039 8.343 6.412 1.00 0.00 H new ATOM 469 N GLY A 31 -0.097 10.992 7.778 1.00 0.00 N ATOM 470 CA GLY A 31 0.194 11.154 9.193 1.00 0.00 C ATOM 471 C GLY A 31 0.907 9.959 9.806 1.00 0.00 C ATOM 472 O GLY A 31 0.670 9.623 10.969 1.00 0.00 O ATOM 0 H GLY A 31 0.680 11.216 7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.809 12.043 9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.739 11.326 9.730 1.00 0.00 H new ATOM 476 N ILE A 32 1.780 9.320 9.039 1.00 0.00 N ATOM 477 CA ILE A 32 2.526 8.166 9.529 1.00 0.00 C ATOM 478 C ILE A 32 4.009 8.501 9.681 1.00 0.00 C ATOM 479 O ILE A 32 4.595 9.159 8.821 1.00 0.00 O ATOM 480 CB ILE A 32 2.372 6.976 8.568 1.00 0.00 C ATOM 481 CG1 ILE A 32 0.905 6.729 8.252 1.00 0.00 C ATOM 482 CG2 ILE A 32 3.000 5.716 9.144 1.00 0.00 C ATOM 483 CD1 ILE A 32 0.723 5.779 7.100 1.00 0.00 C ATOM 0 H ILE A 32 1.990 9.580 8.075 1.00 0.00 H new ATOM 0 HA ILE A 32 2.119 7.899 10.504 1.00 0.00 H new ATOM 0 HB ILE A 32 2.895 7.227 7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.408 6.326 9.135 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.421 7.677 8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.874 4.893 8.441 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.063 5.886 9.318 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.514 5.465 10.087 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.341 5.634 6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.196 6.193 6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.182 4.821 7.343 1.00 0.00 H new ATOM 495 N GLU A 33 4.600 8.067 10.791 1.00 0.00 N ATOM 496 CA GLU A 33 6.022 8.242 11.028 1.00 0.00 C ATOM 497 C GLU A 33 6.828 7.235 10.215 1.00 0.00 C ATOM 498 O GLU A 33 6.311 6.184 9.829 1.00 0.00 O ATOM 499 CB GLU A 33 6.341 8.071 12.511 1.00 0.00 C ATOM 500 CG GLU A 33 5.658 9.084 13.411 1.00 0.00 C ATOM 501 CD GLU A 33 5.987 8.867 14.871 1.00 0.00 C ATOM 502 OE1 GLU A 33 5.327 8.023 15.512 1.00 0.00 O ATOM 503 OE2 GLU A 33 6.904 9.538 15.386 1.00 0.00 O ATOM 0 H GLU A 33 4.107 7.588 11.544 1.00 0.00 H new ATOM 0 HA GLU A 33 6.295 9.251 10.717 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.047 7.068 12.822 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.419 8.145 12.651 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.960 10.089 13.118 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.579 9.022 13.271 1.00 0.00 H new ATOM 510 N ALA A 34 8.099 7.536 9.976 1.00 0.00 N ATOM 511 CA ALA A 34 8.931 6.660 9.169 1.00 0.00 C ATOM 512 C ALA A 34 10.395 6.722 9.569 1.00 0.00 C ATOM 513 O ALA A 34 10.931 7.791 9.859 1.00 0.00 O ATOM 514 CB ALA A 34 8.783 6.999 7.695 1.00 0.00 C ATOM 0 H ALA A 34 8.569 8.371 10.326 1.00 0.00 H new ATOM 0 HA ALA A 34 8.586 5.641 9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.413 6.334 7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.742 6.875 7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.088 8.032 7.527 1.00 0.00 H new ATOM 520 N ASP A 35 11.027 5.557 9.595 1.00 0.00 N ATOM 521 CA ASP A 35 12.464 5.452 9.824 1.00 0.00 C ATOM 522 C ASP A 35 13.208 5.616 8.509 1.00 0.00 C ATOM 523 O ASP A 35 12.597 5.868 7.470 1.00 0.00 O ATOM 524 CB ASP A 35 12.831 4.085 10.409 1.00 0.00 C ATOM 525 CG ASP A 35 12.092 3.750 11.684 1.00 0.00 C ATOM 526 OD1 ASP A 35 11.098 2.998 11.615 1.00 0.00 O ATOM 527 OD2 ASP A 35 12.518 4.210 12.759 1.00 0.00 O ATOM 0 H ASP A 35 10.561 4.660 9.459 1.00 0.00 H new ATOM 0 HA ASP A 35 12.745 6.235 10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.623 3.315 9.666 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.903 4.059 10.604 1.00 0.00 H new ATOM 532 N ASP A 36 14.524 5.503 8.558 1.00 0.00 N ATOM 533 CA ASP A 36 15.321 5.380 7.346 1.00 0.00 C ATOM 534 C ASP A 36 15.780 3.945 7.175 1.00 0.00 C ATOM 535 O ASP A 36 15.560 3.325 6.135 1.00 0.00 O ATOM 536 CB ASP A 36 16.530 6.313 7.369 1.00 0.00 C ATOM 537 CG ASP A 36 16.172 7.722 6.952 1.00 0.00 C ATOM 538 OD1 ASP A 36 15.677 8.490 7.805 1.00 0.00 O ATOM 539 OD2 ASP A 36 16.355 8.064 5.763 1.00 0.00 O ATOM 0 H ASP A 36 15.065 5.494 9.423 1.00 0.00 H new ATOM 0 HA ASP A 36 14.693 5.668 6.503 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.955 6.330 8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.300 5.923 6.703 1.00 0.00 H new ATOM 544 N ASP A 37 16.401 3.421 8.222 1.00 0.00 N ATOM 545 CA ASP A 37 16.962 2.075 8.203 1.00 0.00 C ATOM 546 C ASP A 37 15.864 1.033 8.044 1.00 0.00 C ATOM 547 O ASP A 37 15.873 0.252 7.094 1.00 0.00 O ATOM 548 CB ASP A 37 17.750 1.798 9.489 1.00 0.00 C ATOM 549 CG ASP A 37 18.973 2.680 9.644 1.00 0.00 C ATOM 550 OD1 ASP A 37 18.818 3.858 10.025 1.00 0.00 O ATOM 551 OD2 ASP A 37 20.100 2.196 9.404 1.00 0.00 O ATOM 0 H ASP A 37 16.531 3.913 9.106 1.00 0.00 H new ATOM 0 HA ASP A 37 17.638 2.009 7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.094 1.944 10.347 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.060 0.753 9.499 1.00 0.00 H new ATOM 556 N ARG A 38 14.914 1.035 8.975 1.00 0.00 N ATOM 557 CA ARG A 38 13.802 0.097 8.946 1.00 0.00 C ATOM 558 C ARG A 38 12.979 0.265 7.674 1.00 0.00 C ATOM 559 O ARG A 38 12.485 -0.707 7.110 1.00 0.00 O ATOM 560 CB ARG A 38 12.926 0.302 10.178 1.00 0.00 C ATOM 561 CG ARG A 38 11.691 -0.571 10.197 1.00 0.00 C ATOM 562 CD ARG A 38 12.041 -2.047 10.167 1.00 0.00 C ATOM 563 NE ARG A 38 12.946 -2.418 11.254 1.00 0.00 N ATOM 564 CZ ARG A 38 13.768 -3.464 11.211 1.00 0.00 C ATOM 565 NH1 ARG A 38 13.741 -4.291 10.175 1.00 0.00 N ATOM 566 NH2 ARG A 38 14.606 -3.692 12.214 1.00 0.00 N ATOM 0 H ARG A 38 14.895 1.682 9.763 1.00 0.00 H new ATOM 0 HA ARG A 38 14.201 -0.917 8.954 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.517 0.100 11.071 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.622 1.348 10.227 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.107 -0.354 11.092 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.062 -0.329 9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.128 -2.638 10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.504 -2.290 9.211 1.00 0.00 H new ATOM 0 HE ARG A 38 12.947 -1.841 12.095 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.089 -4.127 9.408 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.372 -5.092 10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.621 -3.066 13.019 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.236 -4.494 12.180 1.00 0.00 H new ATOM 580 N LEU A 39 12.850 1.503 7.225 1.00 0.00 N ATOM 581 CA LEU A 39 12.123 1.805 6.004 1.00 0.00 C ATOM 582 C LEU A 39 12.803 1.169 4.800 1.00 0.00 C ATOM 583 O LEU A 39 12.182 0.397 4.072 1.00 0.00 O ATOM 584 CB LEU A 39 11.998 3.326 5.845 1.00 0.00 C ATOM 585 CG LEU A 39 11.627 3.849 4.453 1.00 0.00 C ATOM 586 CD1 LEU A 39 10.471 3.070 3.854 1.00 0.00 C ATOM 587 CD2 LEU A 39 11.273 5.324 4.539 1.00 0.00 C ATOM 0 H LEU A 39 13.243 2.320 7.692 1.00 0.00 H new ATOM 0 HA LEU A 39 11.121 1.382 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.248 3.681 6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.947 3.777 6.135 1.00 0.00 H new ATOM 0 HG LEU A 39 12.489 3.716 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.236 3.469 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.748 2.020 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.598 3.161 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.010 5.693 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.426 5.456 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.129 5.882 4.919 1.00 0.00 H new ATOM 599 N ASN A 40 14.078 1.471 4.607 1.00 0.00 N ATOM 600 CA ASN A 40 14.822 0.900 3.494 1.00 0.00 C ATOM 601 C ASN A 40 14.887 -0.616 3.632 1.00 0.00 C ATOM 602 O ASN A 40 14.960 -1.327 2.641 1.00 0.00 O ATOM 603 CB ASN A 40 16.232 1.490 3.421 1.00 0.00 C ATOM 604 CG ASN A 40 17.029 0.960 2.241 1.00 0.00 C ATOM 605 OD1 ASN A 40 16.942 1.490 1.135 1.00 0.00 O ATOM 606 ND2 ASN A 40 17.830 -0.070 2.468 1.00 0.00 N ATOM 0 H ASN A 40 14.616 2.103 5.201 1.00 0.00 H new ATOM 0 HA ASN A 40 14.303 1.149 2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.164 2.576 3.350 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.764 1.264 4.345 1.00 0.00 H new ATOM 0 HD21 ASN A 40 18.400 -0.449 1.712 1.00 0.00 H new ATOM 0 HD22 ASN A 40 17.876 -0.485 3.399 1.00 0.00 H new ATOM 613 N LYS A 41 14.842 -1.102 4.866 1.00 0.00 N ATOM 614 CA LYS A 41 14.820 -2.532 5.126 1.00 0.00 C ATOM 615 C LYS A 41 13.536 -3.150 4.581 1.00 0.00 C ATOM 616 O LYS A 41 13.578 -4.144 3.859 1.00 0.00 O ATOM 617 CB LYS A 41 14.936 -2.791 6.630 1.00 0.00 C ATOM 618 CG LYS A 41 15.023 -4.261 7.024 1.00 0.00 C ATOM 619 CD LYS A 41 16.328 -4.916 6.585 1.00 0.00 C ATOM 620 CE LYS A 41 16.260 -5.424 5.153 1.00 0.00 C ATOM 621 NZ LYS A 41 17.516 -6.100 4.744 1.00 0.00 N ATOM 0 H LYS A 41 14.820 -0.522 5.705 1.00 0.00 H new ATOM 0 HA LYS A 41 15.668 -2.995 4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 41 15.821 -2.277 7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.074 -2.347 7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.924 -4.349 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.185 -4.801 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.142 -4.197 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.559 -5.746 7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.425 -6.118 5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.062 -4.589 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.428 -6.431 3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.309 -5.431 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.692 -6.912 5.369 1.00 0.00 H new ATOM 635 N VAL A 42 12.400 -2.548 4.921 1.00 0.00 N ATOM 636 CA VAL A 42 11.111 -3.009 4.428 1.00 0.00 C ATOM 637 C VAL A 42 11.044 -2.900 2.906 1.00 0.00 C ATOM 638 O VAL A 42 10.544 -3.789 2.215 1.00 0.00 O ATOM 639 CB VAL A 42 9.963 -2.200 5.058 1.00 0.00 C ATOM 640 CG1 VAL A 42 8.634 -2.608 4.451 1.00 0.00 C ATOM 641 CG2 VAL A 42 9.945 -2.396 6.566 1.00 0.00 C ATOM 0 H VAL A 42 12.349 -1.737 5.538 1.00 0.00 H new ATOM 0 HA VAL A 42 11.001 -4.055 4.712 1.00 0.00 H new ATOM 0 HB VAL A 42 10.126 -1.143 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.832 -2.027 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.652 -2.422 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.462 -3.669 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.128 -1.818 6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.803 -3.452 6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.891 -2.058 6.988 1.00 0.00 H new ATOM 651 N ILE A 43 11.565 -1.804 2.391 1.00 0.00 N ATOM 652 CA ILE A 43 11.662 -1.602 0.965 1.00 0.00 C ATOM 653 C ILE A 43 12.540 -2.671 0.328 1.00 0.00 C ATOM 654 O ILE A 43 12.225 -3.216 -0.729 1.00 0.00 O ATOM 655 CB ILE A 43 12.225 -0.222 0.694 1.00 0.00 C ATOM 656 CG1 ILE A 43 11.162 0.786 1.128 1.00 0.00 C ATOM 657 CG2 ILE A 43 12.595 -0.070 -0.775 1.00 0.00 C ATOM 658 CD1 ILE A 43 11.115 1.999 0.266 1.00 0.00 C ATOM 0 H ILE A 43 11.931 -1.033 2.950 1.00 0.00 H new ATOM 0 HA ILE A 43 10.668 -1.680 0.524 1.00 0.00 H new ATOM 0 HB ILE A 43 13.145 -0.053 1.254 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.185 0.302 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 43 11.356 1.087 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.997 0.928 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.346 -0.814 -1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.707 -0.215 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.339 2.673 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.080 2.505 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.891 1.708 -0.760 1.00 0.00 H new ATOM 670 N SER A 44 13.629 -2.978 1.008 1.00 0.00 N ATOM 671 CA SER A 44 14.609 -3.930 0.519 1.00 0.00 C ATOM 672 C SER A 44 14.061 -5.356 0.549 1.00 0.00 C ATOM 673 O SER A 44 14.372 -6.153 -0.334 1.00 0.00 O ATOM 674 CB SER A 44 15.888 -3.821 1.351 1.00 0.00 C ATOM 675 OG SER A 44 16.973 -4.502 0.741 1.00 0.00 O ATOM 0 H SER A 44 13.859 -2.574 1.916 1.00 0.00 H new ATOM 0 HA SER A 44 14.837 -3.692 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 44 16.147 -2.771 1.484 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.712 -4.234 2.344 1.00 0.00 H new ATOM 0 HG SER A 44 17.773 -4.409 1.300 1.00 0.00 H new ATOM 681 N GLU A 45 13.240 -5.682 1.547 1.00 0.00 N ATOM 682 CA GLU A 45 12.653 -7.013 1.605 1.00 0.00 C ATOM 683 C GLU A 45 11.587 -7.163 0.526 1.00 0.00 C ATOM 684 O GLU A 45 11.465 -8.226 -0.086 1.00 0.00 O ATOM 685 CB GLU A 45 12.107 -7.344 2.990 1.00 0.00 C ATOM 686 CG GLU A 45 11.062 -6.384 3.455 1.00 0.00 C ATOM 687 CD GLU A 45 10.580 -6.660 4.866 1.00 0.00 C ATOM 688 OE1 GLU A 45 9.677 -7.502 5.038 1.00 0.00 O ATOM 689 OE2 GLU A 45 11.106 -6.039 5.812 1.00 0.00 O ATOM 0 H GLU A 45 12.973 -5.057 2.308 1.00 0.00 H new ATOM 0 HA GLU A 45 13.444 -7.737 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.687 -8.350 2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.929 -7.351 3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.462 -5.371 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.212 -6.424 2.774 1.00 0.00 H new ATOM 696 N LEU A 46 10.834 -6.088 0.276 1.00 0.00 N ATOM 697 CA LEU A 46 9.937 -6.039 -0.879 1.00 0.00 C ATOM 698 C LEU A 46 10.721 -6.272 -2.162 1.00 0.00 C ATOM 699 O LEU A 46 10.327 -7.073 -3.005 1.00 0.00 O ATOM 700 CB LEU A 46 9.223 -4.693 -0.960 1.00 0.00 C ATOM 701 CG LEU A 46 7.985 -4.555 -0.081 1.00 0.00 C ATOM 702 CD1 LEU A 46 7.622 -3.101 0.066 1.00 0.00 C ATOM 703 CD2 LEU A 46 6.807 -5.325 -0.664 1.00 0.00 C ATOM 0 H LEU A 46 10.828 -5.247 0.853 1.00 0.00 H new ATOM 0 HA LEU A 46 9.191 -6.825 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.930 -3.909 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.934 -4.516 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 46 8.215 -4.975 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.737 -3.009 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.451 -2.564 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.415 -2.677 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.939 -5.208 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.574 -4.937 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.064 -6.382 -0.739 1.00 0.00 H new ATOM 715 N ASN A 47 11.852 -5.584 -2.278 1.00 0.00 N ATOM 716 CA ASN A 47 12.716 -5.695 -3.454 1.00 0.00 C ATOM 717 C ASN A 47 13.431 -7.045 -3.500 1.00 0.00 C ATOM 718 O ASN A 47 14.153 -7.338 -4.453 1.00 0.00 O ATOM 719 CB ASN A 47 13.749 -4.558 -3.481 1.00 0.00 C ATOM 720 CG ASN A 47 13.133 -3.201 -3.767 1.00 0.00 C ATOM 721 OD1 ASN A 47 12.086 -3.097 -4.399 1.00 0.00 O ATOM 722 ND2 ASN A 47 13.795 -2.145 -3.320 1.00 0.00 N ATOM 0 H ASN A 47 12.196 -4.938 -1.567 1.00 0.00 H new ATOM 0 HA ASN A 47 12.077 -5.617 -4.333 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.265 -4.521 -2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.501 -4.776 -4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.438 -1.206 -3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.662 -2.270 -2.798 1.00 0.00 H new ATOM 729 N GLY A 48 13.234 -7.860 -2.470 1.00 0.00 N ATOM 730 CA GLY A 48 13.820 -9.185 -2.445 1.00 0.00 C ATOM 731 C GLY A 48 12.835 -10.243 -2.902 1.00 0.00 C ATOM 732 O GLY A 48 13.219 -11.372 -3.210 1.00 0.00 O ATOM 0 H GLY A 48 12.676 -7.624 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.700 -9.206 -3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.158 -9.415 -1.434 1.00 0.00 H new ATOM 736 N LYS A 49 11.565 -9.870 -2.948 1.00 0.00 N ATOM 737 CA LYS A 49 10.498 -10.764 -3.377 1.00 0.00 C ATOM 738 C LYS A 49 9.593 -10.036 -4.358 1.00 0.00 C ATOM 739 O LYS A 49 10.056 -9.215 -5.150 1.00 0.00 O ATOM 740 CB LYS A 49 9.665 -11.237 -2.170 1.00 0.00 C ATOM 741 CG LYS A 49 10.403 -12.185 -1.232 1.00 0.00 C ATOM 742 CD LYS A 49 10.827 -13.467 -1.939 1.00 0.00 C ATOM 743 CE LYS A 49 9.631 -14.290 -2.406 1.00 0.00 C ATOM 744 NZ LYS A 49 8.850 -14.852 -1.270 1.00 0.00 N ATOM 0 H LYS A 49 11.244 -8.937 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 49 10.945 -11.635 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.340 -10.364 -1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.766 -11.733 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.283 -11.685 -0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.761 -12.432 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.451 -13.217 -2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.438 -14.067 -1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.980 -13.665 -3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.980 -15.104 -3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.785 -15.885 -1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.325 -14.621 -0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.894 -14.444 -1.271 1.00 0.00 H new ATOM 758 N ASN A 50 8.315 -10.365 -4.328 1.00 0.00 N ATOM 759 CA ASN A 50 7.315 -9.550 -4.988 1.00 0.00 C ATOM 760 C ASN A 50 6.569 -8.786 -3.914 1.00 0.00 C ATOM 761 O ASN A 50 6.640 -9.160 -2.738 1.00 0.00 O ATOM 762 CB ASN A 50 6.338 -10.393 -5.810 1.00 0.00 C ATOM 763 CG ASN A 50 7.040 -11.332 -6.769 1.00 0.00 C ATOM 764 OD1 ASN A 50 7.387 -10.956 -7.889 1.00 0.00 O ATOM 765 ND2 ASN A 50 7.228 -12.571 -6.344 1.00 0.00 N ATOM 0 H ASN A 50 7.946 -11.190 -3.854 1.00 0.00 H new ATOM 0 HA ASN A 50 7.806 -8.872 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.708 -10.973 -5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.678 -9.732 -6.372 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.676 -13.256 -6.952 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.925 -12.841 -5.408 1.00 0.00 H new ATOM 772 N ILE A 51 5.868 -7.733 -4.288 1.00 0.00 N ATOM 773 CA ILE A 51 5.196 -6.902 -3.303 1.00 0.00 C ATOM 774 C ILE A 51 4.197 -7.716 -2.484 1.00 0.00 C ATOM 775 O ILE A 51 4.249 -7.708 -1.256 1.00 0.00 O ATOM 776 CB ILE A 51 4.505 -5.682 -3.942 1.00 0.00 C ATOM 777 CG1 ILE A 51 5.489 -4.525 -4.154 1.00 0.00 C ATOM 778 CG2 ILE A 51 3.342 -5.201 -3.091 1.00 0.00 C ATOM 779 CD1 ILE A 51 6.727 -4.876 -4.954 1.00 0.00 C ATOM 0 H ILE A 51 5.748 -7.433 -5.256 1.00 0.00 H new ATOM 0 HA ILE A 51 5.968 -6.524 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 51 4.129 -6.006 -4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.967 -3.712 -4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.799 -4.148 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.874 -4.339 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.609 -6.002 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.707 -4.916 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.360 -3.994 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.279 -5.665 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.434 -5.222 -5.945 1.00 0.00 H new ATOM 791 N GLU A 52 3.328 -8.455 -3.168 1.00 0.00 N ATOM 792 CA GLU A 52 2.252 -9.197 -2.514 1.00 0.00 C ATOM 793 C GLU A 52 2.804 -10.202 -1.508 1.00 0.00 C ATOM 794 O GLU A 52 2.236 -10.390 -0.435 1.00 0.00 O ATOM 795 CB GLU A 52 1.399 -9.943 -3.541 1.00 0.00 C ATOM 796 CG GLU A 52 1.031 -9.119 -4.758 1.00 0.00 C ATOM 797 CD GLU A 52 1.998 -9.320 -5.903 1.00 0.00 C ATOM 798 OE1 GLU A 52 1.585 -9.892 -6.930 1.00 0.00 O ATOM 799 OE2 GLU A 52 3.172 -8.924 -5.773 1.00 0.00 O ATOM 0 H GLU A 52 3.348 -8.557 -4.183 1.00 0.00 H new ATOM 0 HA GLU A 52 1.635 -8.467 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.938 -10.832 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.484 -10.285 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.026 -9.386 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.008 -8.064 -4.486 1.00 0.00 H new ATOM 806 N ASP A 53 3.912 -10.845 -1.867 1.00 0.00 N ATOM 807 CA ASP A 53 4.567 -11.806 -0.983 1.00 0.00 C ATOM 808 C ASP A 53 4.965 -11.130 0.315 1.00 0.00 C ATOM 809 O ASP A 53 4.600 -11.574 1.405 1.00 0.00 O ATOM 810 CB ASP A 53 5.827 -12.396 -1.635 1.00 0.00 C ATOM 811 CG ASP A 53 5.540 -13.341 -2.783 1.00 0.00 C ATOM 812 OD1 ASP A 53 5.133 -14.492 -2.521 1.00 0.00 O ATOM 813 OD2 ASP A 53 5.758 -12.949 -3.948 1.00 0.00 O ATOM 0 H ASP A 53 4.376 -10.718 -2.766 1.00 0.00 H new ATOM 0 HA ASP A 53 3.858 -12.611 -0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.453 -11.580 -1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.402 -12.926 -0.876 1.00 0.00 H new ATOM 818 N VAL A 54 5.708 -10.044 0.182 1.00 0.00 N ATOM 819 CA VAL A 54 6.185 -9.300 1.328 1.00 0.00 C ATOM 820 C VAL A 54 5.020 -8.665 2.085 1.00 0.00 C ATOM 821 O VAL A 54 5.060 -8.535 3.302 1.00 0.00 O ATOM 822 CB VAL A 54 7.221 -8.245 0.896 1.00 0.00 C ATOM 823 CG1 VAL A 54 7.525 -7.276 2.033 1.00 0.00 C ATOM 824 CG2 VAL A 54 8.490 -8.944 0.441 1.00 0.00 C ATOM 0 H VAL A 54 5.994 -9.658 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 54 6.680 -9.992 2.009 1.00 0.00 H new ATOM 0 HB VAL A 54 6.809 -7.666 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.259 -6.543 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.609 -6.764 2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.924 -7.828 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.225 -8.200 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.894 -9.536 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.263 -9.598 -0.401 1.00 0.00 H new ATOM 834 N ILE A 55 3.975 -8.295 1.362 1.00 0.00 N ATOM 835 CA ILE A 55 2.730 -7.867 1.972 1.00 0.00 C ATOM 836 C ILE A 55 2.157 -8.948 2.873 1.00 0.00 C ATOM 837 O ILE A 55 1.998 -8.762 4.079 1.00 0.00 O ATOM 838 CB ILE A 55 1.678 -7.547 0.900 1.00 0.00 C ATOM 839 CG1 ILE A 55 2.080 -6.276 0.148 1.00 0.00 C ATOM 840 CG2 ILE A 55 0.305 -7.416 1.550 1.00 0.00 C ATOM 841 CD1 ILE A 55 1.510 -5.027 0.743 1.00 0.00 C ATOM 0 H ILE A 55 3.967 -8.283 0.342 1.00 0.00 H new ATOM 0 HA ILE A 55 2.958 -6.977 2.558 1.00 0.00 H new ATOM 0 HB ILE A 55 1.624 -8.359 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.167 -6.200 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.753 -6.358 -0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.439 -7.189 0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.045 -8.353 2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.326 -6.612 2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.835 -4.165 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.421 -5.083 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.858 -4.922 1.771 1.00 0.00 H new ATOM 853 N ALA A 56 1.870 -10.084 2.269 1.00 0.00 N ATOM 854 CA ALA A 56 1.138 -11.143 2.930 1.00 0.00 C ATOM 855 C ALA A 56 1.980 -11.808 4.015 1.00 0.00 C ATOM 856 O ALA A 56 1.464 -12.539 4.861 1.00 0.00 O ATOM 857 CB ALA A 56 0.661 -12.132 1.885 1.00 0.00 C ATOM 0 H ALA A 56 2.138 -10.298 1.308 1.00 0.00 H new ATOM 0 HA ALA A 56 0.269 -10.726 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.107 -12.936 2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.012 -11.623 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.520 -12.549 1.360 1.00 0.00 H new ATOM 863 N GLN A 57 3.277 -11.555 3.981 1.00 0.00 N ATOM 864 CA GLN A 57 4.171 -11.996 5.044 1.00 0.00 C ATOM 865 C GLN A 57 4.505 -10.858 6.013 1.00 0.00 C ATOM 866 O GLN A 57 4.954 -11.100 7.133 1.00 0.00 O ATOM 867 CB GLN A 57 5.460 -12.555 4.445 1.00 0.00 C ATOM 868 CG GLN A 57 5.264 -13.857 3.686 1.00 0.00 C ATOM 869 CD GLN A 57 4.799 -14.984 4.588 1.00 0.00 C ATOM 870 OE1 GLN A 57 5.611 -15.708 5.160 1.00 0.00 O ATOM 871 NE2 GLN A 57 3.492 -15.142 4.719 1.00 0.00 N ATOM 0 H GLN A 57 3.738 -11.045 3.227 1.00 0.00 H new ATOM 0 HA GLN A 57 3.656 -12.776 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.890 -11.813 3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.183 -12.716 5.245 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.533 -13.705 2.891 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.201 -14.141 3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.851 -14.519 4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.125 -15.886 5.312 1.00 0.00 H new ATOM 880 N GLY A 58 4.279 -9.624 5.581 1.00 0.00 N ATOM 881 CA GLY A 58 4.711 -8.470 6.352 1.00 0.00 C ATOM 882 C GLY A 58 3.615 -7.814 7.169 1.00 0.00 C ATOM 883 O GLY A 58 3.867 -7.384 8.297 1.00 0.00 O ATOM 0 H GLY A 58 3.803 -9.399 4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.513 -8.777 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.131 -7.730 5.671 1.00 0.00 H new ATOM 887 N ILE A 59 2.411 -7.702 6.612 1.00 0.00 N ATOM 888 CA ILE A 59 1.311 -7.067 7.334 1.00 0.00 C ATOM 889 C ILE A 59 0.877 -7.945 8.506 1.00 0.00 C ATOM 890 O ILE A 59 0.987 -7.547 9.669 1.00 0.00 O ATOM 891 CB ILE A 59 0.087 -6.732 6.428 1.00 0.00 C ATOM 892 CG1 ILE A 59 0.356 -5.507 5.544 1.00 0.00 C ATOM 893 CG2 ILE A 59 -1.144 -6.476 7.279 1.00 0.00 C ATOM 894 CD1 ILE A 59 1.435 -5.690 4.506 1.00 0.00 C ATOM 0 H ILE A 59 2.174 -8.037 5.678 1.00 0.00 H new ATOM 0 HA ILE A 59 1.690 -6.114 7.703 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.084 -7.592 5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.570 -5.233 5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.629 -4.669 6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.991 -6.243 6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.370 -7.365 7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.956 -5.636 7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.549 -4.769 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.377 -5.930 4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.160 -6.503 3.834 1.00 0.00 H new ATOM 1060 N ARG B 2 -3.602 0.197 -7.067 1.00 0.00 N ATOM 1061 CA ARG B 2 -3.420 1.628 -6.809 1.00 0.00 C ATOM 1062 C ARG B 2 -4.172 2.099 -5.564 1.00 0.00 C ATOM 1063 O ARG B 2 -3.630 2.861 -4.766 1.00 0.00 O ATOM 1064 CB ARG B 2 -3.807 2.478 -8.033 1.00 0.00 C ATOM 1065 CG ARG B 2 -5.203 2.219 -8.569 1.00 0.00 C ATOM 1066 CD ARG B 2 -5.617 3.269 -9.592 1.00 0.00 C ATOM 1067 NE ARG B 2 -4.687 3.362 -10.717 1.00 0.00 N ATOM 1068 CZ ARG B 2 -4.882 4.144 -11.780 1.00 0.00 C ATOM 1069 NH1 ARG B 2 -5.978 4.888 -11.875 1.00 0.00 N ATOM 1070 NH2 ARG B 2 -3.978 4.187 -12.747 1.00 0.00 N ATOM 0 HA ARG B 2 -2.357 1.771 -6.617 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.724 3.532 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -3.086 2.293 -8.830 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -5.240 1.230 -9.027 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -5.915 2.214 -7.744 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.612 3.031 -9.968 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -5.685 4.240 -9.102 1.00 0.00 H new ATOM 0 HE ARG B 2 -3.839 2.795 -10.687 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.677 4.864 -11.132 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.121 5.484 -12.691 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -3.132 3.622 -12.679 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -4.128 4.785 -13.559 1.00 0.00 H new ATOM 1084 N TYR B 3 -5.395 1.627 -5.377 1.00 0.00 N ATOM 1085 CA TYR B 3 -6.207 2.092 -4.258 1.00 0.00 C ATOM 1086 C TYR B 3 -5.811 1.426 -2.955 1.00 0.00 C ATOM 1087 O TYR B 3 -6.004 1.998 -1.896 1.00 0.00 O ATOM 1088 CB TYR B 3 -7.687 1.860 -4.527 1.00 0.00 C ATOM 1089 CG TYR B 3 -8.115 2.418 -5.852 1.00 0.00 C ATOM 1090 CD1 TYR B 3 -7.711 3.684 -6.233 1.00 0.00 C ATOM 1091 CD2 TYR B 3 -8.879 1.673 -6.735 1.00 0.00 C ATOM 1092 CE1 TYR B 3 -8.050 4.200 -7.451 1.00 0.00 C ATOM 1093 CE2 TYR B 3 -9.236 2.187 -7.963 1.00 0.00 C ATOM 1094 CZ TYR B 3 -8.814 3.454 -8.320 1.00 0.00 C ATOM 1095 OH TYR B 3 -9.130 3.975 -9.552 1.00 0.00 O ATOM 0 H TYR B 3 -5.844 0.933 -5.974 1.00 0.00 H new ATOM 0 HA TYR B 3 -6.025 3.162 -4.159 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -7.896 0.791 -4.500 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -8.276 2.320 -3.733 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -7.116 4.276 -5.554 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -9.198 0.679 -6.458 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -7.720 5.189 -7.731 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -9.841 1.604 -8.641 1.00 0.00 H new ATOM 0 HH TYR B 3 -9.971 3.582 -9.867 1.00 0.00 H new ATOM 1105 N VAL B 4 -5.251 0.226 -3.031 1.00 0.00 N ATOM 1106 CA VAL B 4 -4.870 -0.494 -1.823 1.00 0.00 C ATOM 1107 C VAL B 4 -3.657 0.161 -1.179 1.00 0.00 C ATOM 1108 O VAL B 4 -3.525 0.182 0.037 1.00 0.00 O ATOM 1109 CB VAL B 4 -4.593 -1.987 -2.102 1.00 0.00 C ATOM 1110 CG1 VAL B 4 -4.237 -2.721 -0.827 1.00 0.00 C ATOM 1111 CG2 VAL B 4 -5.803 -2.629 -2.727 1.00 0.00 C ATOM 0 H VAL B 4 -5.053 -0.264 -3.903 1.00 0.00 H new ATOM 0 HA VAL B 4 -5.712 -0.444 -1.132 1.00 0.00 H new ATOM 0 HB VAL B 4 -3.749 -2.050 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL B 4 -4.047 -3.770 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL B 4 -3.344 -2.276 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL B 4 -5.064 -2.646 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL B 4 -5.597 -3.682 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL B 4 -6.652 -2.543 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL B 4 -6.037 -2.127 -3.666 1.00 0.00 H new ATOM 1121 N ALA B 5 -2.794 0.725 -2.007 1.00 0.00 N ATOM 1122 CA ALA B 5 -1.635 1.468 -1.529 1.00 0.00 C ATOM 1123 C ALA B 5 -2.064 2.612 -0.605 1.00 0.00 C ATOM 1124 O ALA B 5 -1.621 2.713 0.551 1.00 0.00 O ATOM 1125 CB ALA B 5 -0.876 2.015 -2.717 1.00 0.00 C ATOM 0 H ALA B 5 -2.874 0.683 -3.023 1.00 0.00 H new ATOM 0 HA ALA B 5 -0.993 0.798 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -0.007 2.573 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -0.548 1.191 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -1.525 2.677 -3.290 1.00 0.00 H new ATOM 1131 N SER B 6 -2.951 3.454 -1.118 1.00 0.00 N ATOM 1132 CA SER B 6 -3.466 4.585 -0.369 1.00 0.00 C ATOM 1133 C SER B 6 -4.426 4.124 0.721 1.00 0.00 C ATOM 1134 O SER B 6 -4.470 4.707 1.806 1.00 0.00 O ATOM 1135 CB SER B 6 -4.149 5.555 -1.330 1.00 0.00 C ATOM 1136 OG SER B 6 -4.666 4.856 -2.450 1.00 0.00 O ATOM 0 H SER B 6 -3.330 3.370 -2.061 1.00 0.00 H new ATOM 0 HA SER B 6 -2.639 5.096 0.124 1.00 0.00 H new ATOM 0 HB2 SER B 6 -4.955 6.079 -0.816 1.00 0.00 H new ATOM 0 HB3 SER B 6 -3.437 6.311 -1.661 1.00 0.00 H new ATOM 0 HG SER B 6 -5.112 4.038 -2.147 1.00 0.00 H new ATOM 1142 N TYR B 7 -5.191 3.074 0.426 1.00 0.00 N ATOM 1143 CA TYR B 7 -6.073 2.458 1.412 1.00 0.00 C ATOM 1144 C TYR B 7 -5.265 2.062 2.643 1.00 0.00 C ATOM 1145 O TYR B 7 -5.643 2.371 3.777 1.00 0.00 O ATOM 1146 CB TYR B 7 -6.782 1.233 0.807 1.00 0.00 C ATOM 1147 CG TYR B 7 -7.539 0.400 1.808 1.00 0.00 C ATOM 1148 CD1 TYR B 7 -8.854 0.695 2.126 1.00 0.00 C ATOM 1149 CD2 TYR B 7 -6.935 -0.681 2.431 1.00 0.00 C ATOM 1150 CE1 TYR B 7 -9.552 -0.064 3.047 1.00 0.00 C ATOM 1151 CE2 TYR B 7 -7.623 -1.446 3.351 1.00 0.00 C ATOM 1152 CZ TYR B 7 -8.931 -1.134 3.658 1.00 0.00 C ATOM 1153 OH TYR B 7 -9.609 -1.891 4.583 1.00 0.00 O ATOM 0 H TYR B 7 -5.216 2.632 -0.493 1.00 0.00 H new ATOM 0 HA TYR B 7 -6.837 3.176 1.709 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -7.474 1.572 0.036 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -6.040 0.604 0.315 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -9.342 1.531 1.647 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -5.911 -0.928 2.193 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -10.577 0.179 3.287 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -7.139 -2.285 3.828 1.00 0.00 H new ATOM 0 HH TYR B 7 -10.533 -2.023 4.284 1.00 0.00 H new ATOM 1163 N LEU B 8 -4.137 1.394 2.402 1.00 0.00 N ATOM 1164 CA LEU B 8 -3.236 1.003 3.471 1.00 0.00 C ATOM 1165 C LEU B 8 -2.780 2.228 4.249 1.00 0.00 C ATOM 1166 O LEU B 8 -3.046 2.337 5.443 1.00 0.00 O ATOM 1167 CB LEU B 8 -2.008 0.263 2.919 1.00 0.00 C ATOM 1168 CG LEU B 8 -2.036 -1.259 3.020 1.00 0.00 C ATOM 1169 CD1 LEU B 8 -3.154 -1.831 2.179 1.00 0.00 C ATOM 1170 CD2 LEU B 8 -0.697 -1.839 2.592 1.00 0.00 C ATOM 0 H LEU B 8 -3.830 1.114 1.470 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.779 0.330 4.134 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -1.887 0.534 1.870 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.125 0.625 3.445 1.00 0.00 H new ATOM 0 HG LEU B 8 -2.219 -1.532 4.059 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -3.155 -2.918 2.266 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -4.109 -1.438 2.527 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -3.005 -1.551 1.136 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -0.730 -2.926 2.669 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -0.490 -1.554 1.560 1.00 0.00 H new ATOM 0 HD23 LEU B 8 0.090 -1.453 3.240 1.00 0.00 H new ATOM 1182 N LEU B 9 -2.111 3.159 3.560 1.00 0.00 N ATOM 1183 CA LEU B 9 -1.627 4.388 4.204 1.00 0.00 C ATOM 1184 C LEU B 9 -2.699 5.055 5.064 1.00 0.00 C ATOM 1185 O LEU B 9 -2.447 5.406 6.216 1.00 0.00 O ATOM 1186 CB LEU B 9 -1.146 5.398 3.164 1.00 0.00 C ATOM 1187 CG LEU B 9 0.281 5.213 2.664 1.00 0.00 C ATOM 1188 CD1 LEU B 9 0.608 6.279 1.656 1.00 0.00 C ATOM 1189 CD2 LEU B 9 1.273 5.284 3.805 1.00 0.00 C ATOM 0 H LEU B 9 -1.893 3.088 2.566 1.00 0.00 H new ATOM 0 HA LEU B 9 -0.800 4.086 4.846 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.818 5.356 2.307 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.234 6.398 3.589 1.00 0.00 H new ATOM 0 HG LEU B 9 0.353 4.228 2.202 1.00 0.00 H new ATOM 0 HD11 LEU B 9 1.630 6.143 1.301 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -0.081 6.208 0.814 1.00 0.00 H new ATOM 0 HD13 LEU B 9 0.513 7.260 2.121 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.283 5.149 3.418 1.00 0.00 H new ATOM 0 HD22 LEU B 9 1.198 6.256 4.292 1.00 0.00 H new ATOM 0 HD23 LEU B 9 1.053 4.498 4.528 1.00 0.00 H new ATOM 1201 N ALA B 10 -3.891 5.224 4.503 1.00 0.00 N ATOM 1202 CA ALA B 10 -4.978 5.892 5.209 1.00 0.00 C ATOM 1203 C ALA B 10 -5.381 5.109 6.456 1.00 0.00 C ATOM 1204 O ALA B 10 -5.725 5.695 7.485 1.00 0.00 O ATOM 1205 CB ALA B 10 -6.180 6.074 4.291 1.00 0.00 C ATOM 0 H ALA B 10 -4.129 4.908 3.563 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.623 6.874 5.520 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.981 6.574 4.835 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -5.893 6.679 3.431 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -6.527 5.099 3.949 1.00 0.00 H new ATOM 1211 N ALA B 11 -5.328 3.783 6.359 1.00 0.00 N ATOM 1212 CA ALA B 11 -5.657 2.912 7.481 1.00 0.00 C ATOM 1213 C ALA B 11 -4.650 3.080 8.611 1.00 0.00 C ATOM 1214 O ALA B 11 -5.007 3.070 9.789 1.00 0.00 O ATOM 1215 CB ALA B 11 -5.694 1.457 7.027 1.00 0.00 C ATOM 0 H ALA B 11 -5.059 3.287 5.509 1.00 0.00 H new ATOM 0 HA ALA B 11 -6.642 3.194 7.853 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.941 0.818 7.875 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.449 1.337 6.250 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -4.718 1.174 6.631 1.00 0.00 H new ATOM 1221 N LEU B 12 -3.390 3.254 8.237 1.00 0.00 N ATOM 1222 CA LEU B 12 -2.299 3.329 9.208 1.00 0.00 C ATOM 1223 C LEU B 12 -2.195 4.727 9.803 1.00 0.00 C ATOM 1224 O LEU B 12 -1.588 4.921 10.857 1.00 0.00 O ATOM 1225 CB LEU B 12 -0.973 2.961 8.538 1.00 0.00 C ATOM 1226 CG LEU B 12 -1.091 1.927 7.416 1.00 0.00 C ATOM 1227 CD1 LEU B 12 0.242 1.680 6.748 1.00 0.00 C ATOM 1228 CD2 LEU B 12 -1.686 0.629 7.936 1.00 0.00 C ATOM 0 H LEU B 12 -3.094 3.347 7.265 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.512 2.622 10.010 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -0.522 3.867 8.133 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.292 2.577 9.297 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.766 2.334 6.663 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.121 0.941 5.956 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.613 2.612 6.321 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.955 1.309 7.485 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -1.760 -0.090 7.120 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -1.046 0.224 8.720 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.679 0.821 8.341 1.00 0.00 H new ATOM 1240 N GLY B 13 -2.792 5.697 9.122 1.00 0.00 N ATOM 1241 CA GLY B 13 -2.668 7.078 9.537 1.00 0.00 C ATOM 1242 C GLY B 13 -3.937 7.618 10.158 1.00 0.00 C ATOM 1243 O GLY B 13 -4.078 8.828 10.345 1.00 0.00 O ATOM 0 H GLY B 13 -3.361 5.550 8.288 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.852 7.166 10.254 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.402 7.689 8.675 1.00 0.00 H new ATOM 1247 N GLY B 14 -4.863 6.727 10.480 1.00 0.00 N ATOM 1248 CA GLY B 14 -6.104 7.152 11.088 1.00 0.00 C ATOM 1249 C GLY B 14 -6.970 5.999 11.543 1.00 0.00 C ATOM 1250 O GLY B 14 -7.040 5.700 12.737 1.00 0.00 O ATOM 0 H GLY B 14 -4.777 5.722 10.331 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.882 7.791 11.943 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -6.662 7.758 10.374 1.00 0.00 H new ATOM 1254 N ASN B 15 -7.613 5.333 10.595 1.00 0.00 N ATOM 1255 CA ASN B 15 -8.617 4.323 10.917 1.00 0.00 C ATOM 1256 C ASN B 15 -8.613 3.207 9.880 1.00 0.00 C ATOM 1257 O ASN B 15 -8.415 3.462 8.693 1.00 0.00 O ATOM 1258 CB ASN B 15 -10.000 4.986 10.970 1.00 0.00 C ATOM 1259 CG ASN B 15 -11.132 4.020 11.269 1.00 0.00 C ATOM 1260 OD1 ASN B 15 -10.961 3.022 11.972 1.00 0.00 O ATOM 1261 ND2 ASN B 15 -12.306 4.313 10.731 1.00 0.00 N ATOM 0 H ASN B 15 -7.459 5.472 9.596 1.00 0.00 H new ATOM 0 HA ASN B 15 -8.381 3.885 11.887 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -9.990 5.766 11.732 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -10.195 5.475 10.016 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -13.108 3.703 10.893 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -12.409 5.148 10.155 1.00 0.00 H new ATOM 1268 N SER B 16 -8.843 1.978 10.333 1.00 0.00 N ATOM 1269 CA SER B 16 -8.913 0.820 9.447 1.00 0.00 C ATOM 1270 C SER B 16 -10.244 0.778 8.701 1.00 0.00 C ATOM 1271 O SER B 16 -10.884 -0.266 8.597 1.00 0.00 O ATOM 1272 CB SER B 16 -8.756 -0.464 10.245 1.00 0.00 C ATOM 1273 OG SER B 16 -7.614 -0.418 11.089 1.00 0.00 O ATOM 0 H SER B 16 -8.985 1.757 11.319 1.00 0.00 H new ATOM 0 HA SER B 16 -8.102 0.909 8.724 1.00 0.00 H new ATOM 0 HB2 SER B 16 -9.649 -0.630 10.848 1.00 0.00 H new ATOM 0 HB3 SER B 16 -8.671 -1.309 9.562 1.00 0.00 H new ATOM 0 HG SER B 16 -7.543 -1.258 11.589 1.00 0.00 H new ATOM 1279 N SER B 17 -10.656 1.923 8.205 1.00 0.00 N ATOM 1280 CA SER B 17 -11.887 2.054 7.458 1.00 0.00 C ATOM 1281 C SER B 17 -11.863 3.406 6.754 1.00 0.00 C ATOM 1282 O SER B 17 -12.627 4.318 7.074 1.00 0.00 O ATOM 1283 CB SER B 17 -13.087 1.923 8.397 1.00 0.00 C ATOM 1284 OG SER B 17 -14.305 1.823 7.678 1.00 0.00 O ATOM 0 H SER B 17 -10.141 2.797 8.310 1.00 0.00 H new ATOM 0 HA SER B 17 -11.979 1.263 6.714 1.00 0.00 H new ATOM 0 HB2 SER B 17 -12.962 1.042 9.027 1.00 0.00 H new ATOM 0 HB3 SER B 17 -13.126 2.786 9.061 1.00 0.00 H new ATOM 0 HG SER B 17 -15.051 1.739 8.308 1.00 0.00 H new ATOM 1290 N PRO B 18 -10.931 3.546 5.804 1.00 0.00 N ATOM 1291 CA PRO B 18 -10.626 4.812 5.146 1.00 0.00 C ATOM 1292 C PRO B 18 -11.641 5.172 4.068 1.00 0.00 C ATOM 1293 O PRO B 18 -12.146 4.304 3.353 1.00 0.00 O ATOM 1294 CB PRO B 18 -9.240 4.563 4.520 1.00 0.00 C ATOM 1295 CG PRO B 18 -8.821 3.201 4.984 1.00 0.00 C ATOM 1296 CD PRO B 18 -10.089 2.471 5.278 1.00 0.00 C ATOM 0 HA PRO B 18 -10.652 5.648 5.845 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -9.289 4.608 3.432 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -8.525 5.322 4.838 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -8.241 2.687 4.218 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -8.191 3.265 5.871 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -10.516 2.015 4.385 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -9.943 1.672 6.005 1.00 0.00 H new ATOM 1304 N SER B 19 -11.931 6.459 3.957 1.00 0.00 N ATOM 1305 CA SER B 19 -12.851 6.951 2.951 1.00 0.00 C ATOM 1306 C SER B 19 -12.158 7.002 1.600 1.00 0.00 C ATOM 1307 O SER B 19 -10.968 7.309 1.506 1.00 0.00 O ATOM 1308 CB SER B 19 -13.350 8.345 3.336 1.00 0.00 C ATOM 1309 OG SER B 19 -14.235 8.863 2.356 1.00 0.00 O ATOM 0 H SER B 19 -11.538 7.184 4.557 1.00 0.00 H new ATOM 0 HA SER B 19 -13.704 6.276 2.888 1.00 0.00 H new ATOM 0 HB2 SER B 19 -13.857 8.299 4.300 1.00 0.00 H new ATOM 0 HB3 SER B 19 -12.501 9.018 3.455 1.00 0.00 H new ATOM 0 HG SER B 19 -14.540 9.754 2.628 1.00 0.00 H new ATOM 1315 N ALA B 20 -12.918 6.696 0.558 1.00 0.00 N ATOM 1316 CA ALA B 20 -12.404 6.680 -0.802 1.00 0.00 C ATOM 1317 C ALA B 20 -11.896 8.058 -1.217 1.00 0.00 C ATOM 1318 O ALA B 20 -11.038 8.178 -2.091 1.00 0.00 O ATOM 1319 CB ALA B 20 -13.485 6.210 -1.760 1.00 0.00 C ATOM 0 H ALA B 20 -13.906 6.453 0.632 1.00 0.00 H new ATOM 0 HA ALA B 20 -11.564 5.987 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -13.092 6.201 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -13.803 5.204 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -14.338 6.887 -1.707 1.00 0.00 H new ATOM 1325 N LYS B 21 -12.429 9.100 -0.590 1.00 0.00 N ATOM 1326 CA LYS B 21 -12.004 10.462 -0.884 1.00 0.00 C ATOM 1327 C LYS B 21 -10.588 10.687 -0.375 1.00 0.00 C ATOM 1328 O LYS B 21 -9.758 11.311 -1.049 1.00 0.00 O ATOM 1329 CB LYS B 21 -12.961 11.471 -0.254 1.00 0.00 C ATOM 1330 CG LYS B 21 -14.427 11.223 -0.590 1.00 0.00 C ATOM 1331 CD LYS B 21 -14.685 11.261 -2.090 1.00 0.00 C ATOM 1332 CE LYS B 21 -16.147 11.035 -2.401 1.00 0.00 C ATOM 1333 NZ LYS B 21 -16.427 11.059 -3.863 1.00 0.00 N ATOM 0 H LYS B 21 -13.154 9.028 0.123 1.00 0.00 H new ATOM 0 HA LYS B 21 -12.018 10.606 -1.964 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -12.837 11.448 0.829 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -12.687 12.473 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -14.730 10.253 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -15.044 11.975 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -14.370 12.224 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -14.084 10.498 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -16.459 10.075 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -16.743 11.802 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -17.416 11.340 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -15.794 11.742 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -16.267 10.112 -4.263 1.00 0.00 H new ATOM 1347 N ASP B 22 -10.312 10.149 0.806 1.00 0.00 N ATOM 1348 CA ASP B 22 -8.970 10.194 1.366 1.00 0.00 C ATOM 1349 C ASP B 22 -8.018 9.466 0.436 1.00 0.00 C ATOM 1350 O ASP B 22 -6.932 9.951 0.141 1.00 0.00 O ATOM 1351 CB ASP B 22 -8.919 9.550 2.757 1.00 0.00 C ATOM 1352 CG ASP B 22 -9.647 10.350 3.820 1.00 0.00 C ATOM 1353 OD1 ASP B 22 -10.802 10.005 4.145 1.00 0.00 O ATOM 1354 OD2 ASP B 22 -9.057 11.310 4.357 1.00 0.00 O ATOM 0 H ASP B 22 -11.000 9.677 1.393 1.00 0.00 H new ATOM 0 HA ASP B 22 -8.676 11.239 1.468 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -9.354 8.552 2.703 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -7.877 9.428 3.055 1.00 0.00 H new ATOM 1359 N ILE B 23 -8.460 8.302 -0.039 1.00 0.00 N ATOM 1360 CA ILE B 23 -7.700 7.508 -0.998 1.00 0.00 C ATOM 1361 C ILE B 23 -7.293 8.360 -2.191 1.00 0.00 C ATOM 1362 O ILE B 23 -6.119 8.406 -2.557 1.00 0.00 O ATOM 1363 CB ILE B 23 -8.531 6.307 -1.497 1.00 0.00 C ATOM 1364 CG1 ILE B 23 -9.075 5.509 -0.314 1.00 0.00 C ATOM 1365 CG2 ILE B 23 -7.700 5.414 -2.406 1.00 0.00 C ATOM 1366 CD1 ILE B 23 -8.012 4.819 0.493 1.00 0.00 C ATOM 0 H ILE B 23 -9.352 7.886 0.230 1.00 0.00 H new ATOM 0 HA ILE B 23 -6.808 7.141 -0.491 1.00 0.00 H new ATOM 0 HB ILE B 23 -9.372 6.690 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -9.635 6.180 0.338 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -9.779 4.763 -0.684 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.307 4.575 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -7.360 5.988 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -6.836 5.039 -1.857 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.476 4.273 1.315 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -7.467 4.122 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -7.321 5.560 0.894 1.00 0.00 H new ATOM 1378 N LYS B 24 -8.276 9.048 -2.772 1.00 0.00 N ATOM 1379 CA LYS B 24 -8.035 9.947 -3.896 1.00 0.00 C ATOM 1380 C LYS B 24 -6.936 10.949 -3.565 1.00 0.00 C ATOM 1381 O LYS B 24 -6.005 11.143 -4.341 1.00 0.00 O ATOM 1382 CB LYS B 24 -9.312 10.708 -4.253 1.00 0.00 C ATOM 1383 CG LYS B 24 -10.450 9.837 -4.745 1.00 0.00 C ATOM 1384 CD LYS B 24 -11.729 10.647 -4.856 1.00 0.00 C ATOM 1385 CE LYS B 24 -12.889 9.811 -5.353 1.00 0.00 C ATOM 1386 NZ LYS B 24 -12.732 9.415 -6.778 1.00 0.00 N ATOM 0 H LYS B 24 -9.252 8.998 -2.479 1.00 0.00 H new ATOM 0 HA LYS B 24 -7.721 9.340 -4.745 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.648 11.260 -3.375 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -9.077 11.444 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -10.197 9.411 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -10.599 9.002 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.977 11.068 -3.882 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -11.569 11.485 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -12.978 8.916 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -13.815 10.373 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -13.626 9.577 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -11.979 9.983 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -12.481 8.407 -6.833 1.00 0.00 H new ATOM 1400 N LYS B 25 -7.053 11.570 -2.394 1.00 0.00 N ATOM 1401 CA LYS B 25 -6.084 12.552 -1.932 1.00 0.00 C ATOM 1402 C LYS B 25 -4.670 11.965 -1.867 1.00 0.00 C ATOM 1403 O LYS B 25 -3.704 12.572 -2.345 1.00 0.00 O ATOM 1404 CB LYS B 25 -6.508 13.061 -0.557 1.00 0.00 C ATOM 1405 CG LYS B 25 -5.515 13.997 0.082 1.00 0.00 C ATOM 1406 CD LYS B 25 -5.512 15.347 -0.590 1.00 0.00 C ATOM 1407 CE LYS B 25 -4.455 16.253 0.005 1.00 0.00 C ATOM 1408 NZ LYS B 25 -4.662 16.469 1.462 1.00 0.00 N ATOM 0 H LYS B 25 -7.821 11.405 -1.743 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.060 13.377 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -7.466 13.572 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -6.664 12.208 0.103 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -5.755 14.117 1.139 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -4.517 13.561 0.029 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -5.330 15.224 -1.658 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.493 15.811 -0.485 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.469 15.818 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -4.470 17.214 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -4.026 17.222 1.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -5.649 16.748 1.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -4.456 15.589 1.976 1.00 0.00 H new ATOM 1422 N ILE B 26 -4.553 10.777 -1.291 1.00 0.00 N ATOM 1423 CA ILE B 26 -3.255 10.150 -1.109 1.00 0.00 C ATOM 1424 C ILE B 26 -2.657 9.752 -2.458 1.00 0.00 C ATOM 1425 O ILE B 26 -1.454 9.883 -2.682 1.00 0.00 O ATOM 1426 CB ILE B 26 -3.348 8.926 -0.192 1.00 0.00 C ATOM 1427 CG1 ILE B 26 -4.247 9.221 1.003 1.00 0.00 C ATOM 1428 CG2 ILE B 26 -1.959 8.568 0.300 1.00 0.00 C ATOM 1429 CD1 ILE B 26 -4.609 7.992 1.790 1.00 0.00 C ATOM 0 H ILE B 26 -5.340 10.230 -0.943 1.00 0.00 H new ATOM 0 HA ILE B 26 -2.600 10.880 -0.633 1.00 0.00 H new ATOM 0 HB ILE B 26 -3.774 8.094 -0.753 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -3.745 9.931 1.661 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -5.160 9.702 0.652 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -2.018 7.698 0.953 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -1.319 8.340 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -1.541 9.409 0.853 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -5.250 8.271 2.626 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -5.138 7.290 1.146 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -3.701 7.522 2.169 1.00 0.00 H new ATOM 1441 N LEU B 27 -3.513 9.283 -3.357 1.00 0.00 N ATOM 1442 CA LEU B 27 -3.116 9.015 -4.738 1.00 0.00 C ATOM 1443 C LEU B 27 -2.684 10.307 -5.420 1.00 0.00 C ATOM 1444 O LEU B 27 -1.689 10.332 -6.130 1.00 0.00 O ATOM 1445 CB LEU B 27 -4.273 8.359 -5.499 1.00 0.00 C ATOM 1446 CG LEU B 27 -4.667 6.976 -4.984 1.00 0.00 C ATOM 1447 CD1 LEU B 27 -6.131 6.706 -5.250 1.00 0.00 C ATOM 1448 CD2 LEU B 27 -3.827 5.897 -5.630 1.00 0.00 C ATOM 0 H LEU B 27 -4.492 9.079 -3.155 1.00 0.00 H new ATOM 0 HA LEU B 27 -2.270 8.328 -4.739 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -5.143 9.014 -5.447 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -3.999 8.277 -6.551 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.490 6.961 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -6.392 5.716 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -6.737 7.457 -4.744 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.320 6.750 -6.323 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.128 4.922 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.971 5.921 -6.710 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -2.775 6.068 -5.400 1.00 0.00 H new ATOM 1460 N ASP B 28 -3.413 11.387 -5.173 1.00 0.00 N ATOM 1461 CA ASP B 28 -3.050 12.695 -5.717 1.00 0.00 C ATOM 1462 C ASP B 28 -1.715 13.181 -5.166 1.00 0.00 C ATOM 1463 O ASP B 28 -1.025 13.971 -5.810 1.00 0.00 O ATOM 1464 CB ASP B 28 -4.128 13.739 -5.421 1.00 0.00 C ATOM 1465 CG ASP B 28 -5.193 13.806 -6.495 1.00 0.00 C ATOM 1466 OD1 ASP B 28 -6.393 13.741 -6.153 1.00 0.00 O ATOM 1467 OD2 ASP B 28 -4.836 13.933 -7.685 1.00 0.00 O ATOM 0 H ASP B 28 -4.258 11.387 -4.601 1.00 0.00 H new ATOM 0 HA ASP B 28 -2.960 12.570 -6.796 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -4.597 13.508 -4.465 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -3.660 14.718 -5.319 1.00 0.00 H new ATOM 1472 N SER B 29 -1.349 12.715 -3.974 1.00 0.00 N ATOM 1473 CA SER B 29 -0.088 13.110 -3.360 1.00 0.00 C ATOM 1474 C SER B 29 1.106 12.478 -4.087 1.00 0.00 C ATOM 1475 O SER B 29 2.218 13.012 -4.054 1.00 0.00 O ATOM 1476 CB SER B 29 -0.083 12.721 -1.880 1.00 0.00 C ATOM 1477 OG SER B 29 -1.200 13.283 -1.204 1.00 0.00 O ATOM 0 H SER B 29 -1.906 12.066 -3.418 1.00 0.00 H new ATOM 0 HA SER B 29 0.009 14.193 -3.443 1.00 0.00 H new ATOM 0 HB2 SER B 29 -0.104 11.635 -1.785 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.840 13.064 -1.413 1.00 0.00 H new ATOM 0 HG SER B 29 -2.028 12.950 -1.608 1.00 0.00 H new ATOM 1483 N VAL B 30 0.870 11.349 -4.754 1.00 0.00 N ATOM 1484 CA VAL B 30 1.928 10.648 -5.482 1.00 0.00 C ATOM 1485 C VAL B 30 1.692 10.690 -6.994 1.00 0.00 C ATOM 1486 O VAL B 30 2.552 10.289 -7.777 1.00 0.00 O ATOM 1487 CB VAL B 30 2.062 9.183 -5.005 1.00 0.00 C ATOM 1488 CG1 VAL B 30 2.607 9.146 -3.592 1.00 0.00 C ATOM 1489 CG2 VAL B 30 0.721 8.481 -5.065 1.00 0.00 C ATOM 0 H VAL B 30 -0.044 10.900 -4.806 1.00 0.00 H new ATOM 0 HA VAL B 30 2.861 11.168 -5.268 1.00 0.00 H new ATOM 0 HB VAL B 30 2.755 8.663 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL B 30 2.698 8.110 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL B 30 3.587 9.622 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL B 30 1.928 9.679 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.834 7.451 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.010 8.999 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL B 30 0.353 8.487 -6.091 1.00 0.00 H new ATOM 1499 N GLY B 31 0.519 11.169 -7.395 1.00 0.00 N ATOM 1500 CA GLY B 31 0.234 11.375 -8.804 1.00 0.00 C ATOM 1501 C GLY B 31 -0.537 10.234 -9.443 1.00 0.00 C ATOM 1502 O GLY B 31 -0.333 9.924 -10.616 1.00 0.00 O ATOM 0 H GLY B 31 -0.244 11.420 -6.766 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -0.336 12.297 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY B 31 1.173 11.512 -9.340 1.00 0.00 H new ATOM 1506 N ILE B 32 -1.429 9.611 -8.687 1.00 0.00 N ATOM 1507 CA ILE B 32 -2.226 8.506 -9.204 1.00 0.00 C ATOM 1508 C ILE B 32 -3.693 8.915 -9.346 1.00 0.00 C ATOM 1509 O ILE B 32 -4.246 9.585 -8.473 1.00 0.00 O ATOM 1510 CB ILE B 32 -2.125 7.287 -8.271 1.00 0.00 C ATOM 1511 CG1 ILE B 32 -0.672 6.969 -7.965 1.00 0.00 C ATOM 1512 CG2 ILE B 32 -2.807 6.066 -8.875 1.00 0.00 C ATOM 1513 CD1 ILE B 32 -0.526 5.983 -6.838 1.00 0.00 C ATOM 0 H ILE B 32 -1.620 9.851 -7.714 1.00 0.00 H new ATOM 0 HA ILE B 32 -1.834 8.242 -10.186 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.638 7.540 -7.343 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.195 6.568 -8.859 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -0.147 7.890 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -2.717 5.223 -8.190 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.861 6.285 -9.045 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -2.331 5.815 -9.823 1.00 0.00 H new ATOM 0 HD11 ILE B 32 0.532 5.789 -6.659 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -0.978 6.393 -5.935 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -1.026 5.051 -7.103 1.00 0.00 H new ATOM 1525 N GLU B 33 -4.306 8.533 -10.464 1.00 0.00 N ATOM 1526 CA GLU B 33 -5.721 8.779 -10.693 1.00 0.00 C ATOM 1527 C GLU B 33 -6.570 7.791 -9.900 1.00 0.00 C ATOM 1528 O GLU B 33 -6.097 6.711 -9.538 1.00 0.00 O ATOM 1529 CB GLU B 33 -6.056 8.656 -12.177 1.00 0.00 C ATOM 1530 CG GLU B 33 -5.332 9.658 -13.057 1.00 0.00 C ATOM 1531 CD GLU B 33 -5.693 9.492 -14.517 1.00 0.00 C ATOM 1532 OE1 GLU B 33 -5.095 8.626 -15.185 1.00 0.00 O ATOM 1533 OE2 GLU B 33 -6.590 10.214 -14.999 1.00 0.00 O ATOM 0 H GLU B 33 -3.837 8.048 -11.229 1.00 0.00 H new ATOM 0 HA GLU B 33 -5.943 9.793 -10.360 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -5.810 7.649 -12.512 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -7.131 8.782 -12.308 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -5.579 10.669 -12.735 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -4.256 9.538 -12.933 1.00 0.00 H new ATOM 1540 N ALA B 34 -7.825 8.139 -9.650 1.00 0.00 N ATOM 1541 CA ALA B 34 -8.692 7.279 -8.863 1.00 0.00 C ATOM 1542 C ALA B 34 -10.153 7.413 -9.254 1.00 0.00 C ATOM 1543 O ALA B 34 -10.647 8.513 -9.502 1.00 0.00 O ATOM 1544 CB ALA B 34 -8.525 7.575 -7.381 1.00 0.00 C ATOM 0 H ALA B 34 -8.260 9.001 -9.977 1.00 0.00 H new ATOM 0 HA ALA B 34 -8.392 6.252 -9.069 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -9.181 6.923 -6.804 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.490 7.399 -7.089 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.785 8.616 -7.186 1.00 0.00 H new ATOM 1550 N ASP B 35 -10.833 6.276 -9.311 1.00 0.00 N ATOM 1551 CA ASP B 35 -12.274 6.241 -9.542 1.00 0.00 C ATOM 1552 C ASP B 35 -13.006 6.405 -8.220 1.00 0.00 C ATOM 1553 O ASP B 35 -12.382 6.608 -7.178 1.00 0.00 O ATOM 1554 CB ASP B 35 -12.705 4.906 -10.163 1.00 0.00 C ATOM 1555 CG ASP B 35 -11.975 4.567 -11.444 1.00 0.00 C ATOM 1556 OD1 ASP B 35 -11.003 3.789 -11.381 1.00 0.00 O ATOM 1557 OD2 ASP B 35 -12.381 5.057 -12.516 1.00 0.00 O ATOM 0 H ASP B 35 -10.406 5.356 -9.199 1.00 0.00 H new ATOM 0 HA ASP B 35 -12.521 7.052 -10.227 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -12.539 4.108 -9.439 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -13.776 4.937 -10.363 1.00 0.00 H new ATOM 1562 N ASP B 36 -14.326 6.347 -8.263 1.00 0.00 N ATOM 1563 CA ASP B 36 -15.123 6.228 -7.051 1.00 0.00 C ATOM 1564 C ASP B 36 -15.644 4.810 -6.915 1.00 0.00 C ATOM 1565 O ASP B 36 -15.443 4.153 -5.895 1.00 0.00 O ATOM 1566 CB ASP B 36 -16.290 7.209 -7.048 1.00 0.00 C ATOM 1567 CG ASP B 36 -15.876 8.588 -6.589 1.00 0.00 C ATOM 1568 OD1 ASP B 36 -15.356 9.365 -7.418 1.00 0.00 O ATOM 1569 OD2 ASP B 36 -16.052 8.899 -5.392 1.00 0.00 O ATOM 0 H ASP B 36 -14.871 6.380 -9.125 1.00 0.00 H new ATOM 0 HA ASP B 36 -14.481 6.468 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -16.711 7.273 -8.051 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -17.078 6.832 -6.395 1.00 0.00 H new ATOM 1574 N ASP B 37 -16.292 4.343 -7.975 1.00 0.00 N ATOM 1575 CA ASP B 37 -16.914 3.026 -7.990 1.00 0.00 C ATOM 1576 C ASP B 37 -15.868 1.932 -7.857 1.00 0.00 C ATOM 1577 O ASP B 37 -15.920 1.122 -6.930 1.00 0.00 O ATOM 1578 CB ASP B 37 -17.707 2.816 -9.285 1.00 0.00 C ATOM 1579 CG ASP B 37 -18.894 3.750 -9.418 1.00 0.00 C ATOM 1580 OD1 ASP B 37 -18.701 4.922 -9.810 1.00 0.00 O ATOM 1581 OD2 ASP B 37 -20.031 3.313 -9.148 1.00 0.00 O ATOM 0 H ASP B 37 -16.401 4.864 -8.845 1.00 0.00 H new ATOM 0 HA ASP B 37 -17.595 2.972 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -17.043 2.960 -10.137 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -18.058 1.785 -9.325 1.00 0.00 H new ATOM 1586 N ARG B 38 -14.913 1.920 -8.786 1.00 0.00 N ATOM 1587 CA ARG B 38 -13.847 0.933 -8.785 1.00 0.00 C ATOM 1588 C ARG B 38 -13.016 1.036 -7.513 1.00 0.00 C ATOM 1589 O ARG B 38 -12.568 0.031 -6.969 1.00 0.00 O ATOM 1590 CB ARG B 38 -12.966 1.125 -10.017 1.00 0.00 C ATOM 1591 CG ARG B 38 -11.768 0.199 -10.058 1.00 0.00 C ATOM 1592 CD ARG B 38 -12.181 -1.263 -10.059 1.00 0.00 C ATOM 1593 NE ARG B 38 -13.097 -1.570 -11.155 1.00 0.00 N ATOM 1594 CZ ARG B 38 -13.966 -2.577 -11.135 1.00 0.00 C ATOM 1595 NH1 ARG B 38 -13.971 -3.435 -10.121 1.00 0.00 N ATOM 1596 NH2 ARG B 38 -14.818 -2.737 -12.138 1.00 0.00 N ATOM 0 H ARG B 38 -14.861 2.591 -9.553 1.00 0.00 H new ATOM 0 HA ARG B 38 -14.291 -0.062 -8.816 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -13.568 0.966 -10.912 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -12.618 2.157 -10.046 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -11.177 0.410 -10.949 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -11.128 0.395 -9.197 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -11.294 -1.891 -10.141 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -12.657 -1.506 -9.109 1.00 0.00 H new ATOM 0 HE ARG B 38 -13.069 -0.977 -11.985 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -13.307 -3.323 -9.355 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -14.639 -4.206 -10.109 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -14.807 -2.088 -12.925 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -15.484 -3.509 -12.123 1.00 0.00 H new ATOM 1610 N LEU B 39 -12.834 2.256 -7.038 1.00 0.00 N ATOM 1611 CA LEU B 39 -12.091 2.493 -5.810 1.00 0.00 C ATOM 1612 C LEU B 39 -12.797 1.856 -4.622 1.00 0.00 C ATOM 1613 O LEU B 39 -12.209 1.035 -3.918 1.00 0.00 O ATOM 1614 CB LEU B 39 -11.897 4.001 -5.612 1.00 0.00 C ATOM 1615 CG LEU B 39 -11.502 4.472 -4.208 1.00 0.00 C ATOM 1616 CD1 LEU B 39 -10.380 3.628 -3.631 1.00 0.00 C ATOM 1617 CD2 LEU B 39 -11.080 5.930 -4.262 1.00 0.00 C ATOM 0 H LEU B 39 -13.191 3.101 -7.485 1.00 0.00 H new ATOM 0 HA LEU B 39 -11.108 2.027 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -11.132 4.339 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -12.825 4.501 -5.889 1.00 0.00 H new ATOM 0 HG LEU B 39 -12.368 4.362 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -10.127 3.991 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -10.702 2.589 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -9.504 3.697 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -10.799 6.265 -3.263 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -10.228 6.038 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -11.909 6.535 -4.628 1.00 0.00 H new ATOM 1629 N ASN B 40 -14.057 2.207 -4.416 1.00 0.00 N ATOM 1630 CA ASN B 40 -14.821 1.643 -3.313 1.00 0.00 C ATOM 1631 C ASN B 40 -14.950 0.137 -3.484 1.00 0.00 C ATOM 1632 O ASN B 40 -15.048 -0.594 -2.510 1.00 0.00 O ATOM 1633 CB ASN B 40 -16.203 2.296 -3.220 1.00 0.00 C ATOM 1634 CG ASN B 40 -17.022 1.771 -2.051 1.00 0.00 C ATOM 1635 OD1 ASN B 40 -16.913 2.266 -0.929 1.00 0.00 O ATOM 1636 ND2 ASN B 40 -17.863 0.780 -2.308 1.00 0.00 N ATOM 0 H ASN B 40 -14.569 2.874 -4.993 1.00 0.00 H new ATOM 0 HA ASN B 40 -14.290 1.845 -2.383 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -16.085 3.375 -3.120 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -16.747 2.120 -4.148 1.00 0.00 H new ATOM 0 HD21 ASN B 40 -18.448 0.402 -1.563 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -17.925 0.396 -3.251 1.00 0.00 H new ATOM 1643 N LYS B 41 -14.928 -0.322 -4.730 1.00 0.00 N ATOM 1644 CA LYS B 41 -14.967 -1.744 -5.027 1.00 0.00 C ATOM 1645 C LYS B 41 -13.712 -2.432 -4.500 1.00 0.00 C ATOM 1646 O LYS B 41 -13.799 -3.438 -3.798 1.00 0.00 O ATOM 1647 CB LYS B 41 -15.100 -1.963 -6.536 1.00 0.00 C ATOM 1648 CG LYS B 41 -15.252 -3.419 -6.966 1.00 0.00 C ATOM 1649 CD LYS B 41 -16.586 -4.025 -6.541 1.00 0.00 C ATOM 1650 CE LYS B 41 -16.540 -4.573 -5.124 1.00 0.00 C ATOM 1651 NZ LYS B 41 -17.827 -5.200 -4.725 1.00 0.00 N ATOM 0 H LYS B 41 -14.883 0.277 -5.554 1.00 0.00 H new ATOM 0 HA LYS B 41 -15.834 -2.181 -4.531 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -15.963 -1.402 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -14.222 -1.545 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -15.157 -3.485 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -14.439 -4.006 -6.539 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -17.366 -3.267 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -16.856 -4.825 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -15.739 -5.309 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -16.300 -3.766 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -17.751 -5.560 -3.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -18.588 -4.493 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -18.044 -5.987 -5.369 1.00 0.00 H new ATOM 1665 N VAL B 42 -12.551 -1.877 -4.833 1.00 0.00 N ATOM 1666 CA VAL B 42 -11.281 -2.403 -4.354 1.00 0.00 C ATOM 1667 C VAL B 42 -11.208 -2.332 -2.829 1.00 0.00 C ATOM 1668 O VAL B 42 -10.750 -3.261 -2.158 1.00 0.00 O ATOM 1669 CB VAL B 42 -10.101 -1.626 -4.967 1.00 0.00 C ATOM 1670 CG1 VAL B 42 -8.791 -2.103 -4.373 1.00 0.00 C ATOM 1671 CG2 VAL B 42 -10.094 -1.785 -6.479 1.00 0.00 C ATOM 0 H VAL B 42 -12.465 -1.059 -5.436 1.00 0.00 H new ATOM 0 HA VAL B 42 -11.214 -3.446 -4.663 1.00 0.00 H new ATOM 0 HB VAL B 42 -10.219 -0.568 -4.733 1.00 0.00 H new ATOM 0 HG11 VAL B 42 -7.966 -1.545 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL B 42 -8.800 -1.942 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL B 42 -8.663 -3.165 -4.580 1.00 0.00 H new ATOM 0 HG21 VAL B 42 -9.255 -1.231 -6.899 1.00 0.00 H new ATOM 0 HG22 VAL B 42 -9.996 -2.840 -6.733 1.00 0.00 H new ATOM 0 HG23 VAL B 42 -11.027 -1.398 -6.890 1.00 0.00 H new ATOM 1681 N ILE B 43 -11.678 -1.226 -2.286 1.00 0.00 N ATOM 1682 CA ILE B 43 -11.768 -1.052 -0.855 1.00 0.00 C ATOM 1683 C ILE B 43 -12.693 -2.096 -0.241 1.00 0.00 C ATOM 1684 O ILE B 43 -12.402 -2.677 0.802 1.00 0.00 O ATOM 1685 CB ILE B 43 -12.271 0.343 -0.549 1.00 0.00 C ATOM 1686 CG1 ILE B 43 -11.168 1.314 -0.964 1.00 0.00 C ATOM 1687 CG2 ILE B 43 -12.631 0.477 0.923 1.00 0.00 C ATOM 1688 CD1 ILE B 43 -11.066 2.504 -0.073 1.00 0.00 C ATOM 0 H ILE B 43 -12.007 -0.426 -2.826 1.00 0.00 H new ATOM 0 HA ILE B 43 -10.778 -1.183 -0.419 1.00 0.00 H new ATOM 0 HB ILE B 43 -13.185 0.563 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -10.213 0.788 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -11.352 1.648 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -12.990 1.487 1.119 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -13.412 -0.241 1.173 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -11.749 0.280 1.533 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -10.263 3.153 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -12.008 3.052 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -10.851 2.179 0.945 1.00 0.00 H new ATOM 1700 N SER B 44 -13.793 -2.339 -0.928 1.00 0.00 N ATOM 1701 CA SER B 44 -14.815 -3.256 -0.460 1.00 0.00 C ATOM 1702 C SER B 44 -14.333 -4.703 -0.527 1.00 0.00 C ATOM 1703 O SER B 44 -14.679 -5.510 0.335 1.00 0.00 O ATOM 1704 CB SER B 44 -16.088 -3.067 -1.289 1.00 0.00 C ATOM 1705 OG SER B 44 -17.214 -3.686 -0.686 1.00 0.00 O ATOM 0 H SER B 44 -14.003 -1.906 -1.827 1.00 0.00 H new ATOM 0 HA SER B 44 -15.032 -3.035 0.585 1.00 0.00 H new ATOM 0 HB2 SER B 44 -16.284 -2.002 -1.414 1.00 0.00 H new ATOM 0 HB3 SER B 44 -15.936 -3.483 -2.285 1.00 0.00 H new ATOM 0 HG SER B 44 -18.006 -3.541 -1.245 1.00 0.00 H new ATOM 1711 N GLU B 45 -13.526 -5.041 -1.535 1.00 0.00 N ATOM 1712 CA GLU B 45 -12.997 -6.396 -1.629 1.00 0.00 C ATOM 1713 C GLU B 45 -11.934 -6.621 -0.558 1.00 0.00 C ATOM 1714 O GLU B 45 -11.850 -7.710 0.014 1.00 0.00 O ATOM 1715 CB GLU B 45 -12.469 -6.720 -3.022 1.00 0.00 C ATOM 1716 CG GLU B 45 -11.378 -5.802 -3.463 1.00 0.00 C ATOM 1717 CD GLU B 45 -10.906 -6.071 -4.876 1.00 0.00 C ATOM 1718 OE1 GLU B 45 -10.014 -6.924 -5.057 1.00 0.00 O ATOM 1719 OE2 GLU B 45 -11.432 -5.437 -5.814 1.00 0.00 O ATOM 0 H GLU B 45 -13.232 -4.409 -2.280 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.821 -7.086 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -12.100 -7.746 -3.035 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -13.290 -6.668 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -11.729 -4.772 -3.394 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.534 -5.898 -2.780 1.00 0.00 H new ATOM 1726 N LEU B 46 -11.137 -5.588 -0.279 1.00 0.00 N ATOM 1727 CA LEU B 46 -10.240 -5.609 0.876 1.00 0.00 C ATOM 1728 C LEU B 46 -11.033 -5.836 2.155 1.00 0.00 C ATOM 1729 O LEU B 46 -10.674 -6.672 2.982 1.00 0.00 O ATOM 1730 CB LEU B 46 -9.467 -4.297 0.987 1.00 0.00 C ATOM 1731 CG LEU B 46 -8.224 -4.191 0.108 1.00 0.00 C ATOM 1732 CD1 LEU B 46 -7.794 -2.750 -0.005 1.00 0.00 C ATOM 1733 CD2 LEU B 46 -7.080 -5.027 0.669 1.00 0.00 C ATOM 0 H LEU B 46 -11.095 -4.733 -0.833 1.00 0.00 H new ATOM 0 HA LEU B 46 -9.532 -6.426 0.737 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -10.139 -3.477 0.736 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -9.169 -4.158 2.026 1.00 0.00 H new ATOM 0 HG LEU B 46 -8.476 -4.575 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -6.906 -2.683 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -8.598 -2.164 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -7.566 -2.359 0.987 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -6.208 -4.932 0.022 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -6.829 -4.675 1.670 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.383 -6.073 0.717 1.00 0.00 H new ATOM 1745 N ASN B 47 -12.136 -5.104 2.289 1.00 0.00 N ATOM 1746 CA ASN B 47 -12.998 -5.202 3.465 1.00 0.00 C ATOM 1747 C ASN B 47 -13.774 -6.520 3.483 1.00 0.00 C ATOM 1748 O ASN B 47 -14.514 -6.802 4.427 1.00 0.00 O ATOM 1749 CB ASN B 47 -13.978 -4.021 3.524 1.00 0.00 C ATOM 1750 CG ASN B 47 -13.304 -2.700 3.845 1.00 0.00 C ATOM 1751 OD1 ASN B 47 -12.252 -2.658 4.476 1.00 0.00 O ATOM 1752 ND2 ASN B 47 -13.920 -1.604 3.427 1.00 0.00 N ATOM 0 H ASN B 47 -12.456 -4.431 1.592 1.00 0.00 H new ATOM 0 HA ASN B 47 -12.352 -5.172 4.342 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -14.492 -3.936 2.567 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -14.739 -4.226 4.277 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -13.521 -0.687 3.627 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -14.793 -1.677 2.905 1.00 0.00 H new ATOM 1759 N GLY B 48 -13.609 -7.320 2.437 1.00 0.00 N ATOM 1760 CA GLY B 48 -14.250 -8.620 2.383 1.00 0.00 C ATOM 1761 C GLY B 48 -13.310 -9.731 2.807 1.00 0.00 C ATOM 1762 O GLY B 48 -13.738 -10.853 3.080 1.00 0.00 O ATOM 0 H GLY B 48 -13.040 -7.090 1.622 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -15.127 -8.620 3.030 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -14.602 -8.809 1.369 1.00 0.00 H new ATOM 1766 N LYS B 49 -12.025 -9.410 2.860 1.00 0.00 N ATOM 1767 CA LYS B 49 -10.996 -10.361 3.260 1.00 0.00 C ATOM 1768 C LYS B 49 -10.061 -9.698 4.258 1.00 0.00 C ATOM 1769 O LYS B 49 -10.487 -8.877 5.071 1.00 0.00 O ATOM 1770 CB LYS B 49 -10.188 -10.839 2.039 1.00 0.00 C ATOM 1771 CG LYS B 49 -10.969 -11.731 1.081 1.00 0.00 C ATOM 1772 CD LYS B 49 -11.447 -13.009 1.760 1.00 0.00 C ATOM 1773 CE LYS B 49 -10.287 -13.892 2.207 1.00 0.00 C ATOM 1774 NZ LYS B 49 -9.533 -14.470 1.058 1.00 0.00 N ATOM 0 H LYS B 49 -11.666 -8.484 2.627 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.478 -11.226 3.716 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -9.827 -9.967 1.493 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -9.310 -11.382 2.389 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.827 -11.183 0.692 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.341 -11.986 0.228 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.060 -12.752 2.624 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -12.083 -13.567 1.073 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.607 -13.307 2.826 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -10.669 -14.701 2.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -9.514 -15.506 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.999 -14.203 0.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.559 -14.104 1.062 1.00 0.00 H new ATOM 1788 N ASN B 50 -8.798 -10.082 4.217 1.00 0.00 N ATOM 1789 CA ASN B 50 -7.763 -9.327 4.892 1.00 0.00 C ATOM 1790 C ASN B 50 -6.987 -8.569 3.835 1.00 0.00 C ATOM 1791 O ASN B 50 -7.075 -8.914 2.652 1.00 0.00 O ATOM 1792 CB ASN B 50 -6.818 -10.231 5.689 1.00 0.00 C ATOM 1793 CG ASN B 50 -7.553 -11.155 6.633 1.00 0.00 C ATOM 1794 OD1 ASN B 50 -7.881 -10.780 7.760 1.00 0.00 O ATOM 1795 ND2 ASN B 50 -7.794 -12.379 6.188 1.00 0.00 N ATOM 0 H ASN B 50 -8.467 -10.911 3.724 1.00 0.00 H new ATOM 0 HA ASN B 50 -8.224 -8.647 5.608 1.00 0.00 H new ATOM 0 HB2 ASN B 50 -6.221 -10.825 4.997 1.00 0.00 H new ATOM 0 HB3 ASN B 50 -6.125 -9.612 6.259 1.00 0.00 H new ATOM 0 HD21 ASN B 50 -8.269 -13.055 6.786 1.00 0.00 H new ATOM 0 HD22 ASN B 50 -7.504 -12.646 5.247 1.00 0.00 H new ATOM 1802 N ILE B 51 -6.244 -7.555 4.230 1.00 0.00 N ATOM 1803 CA ILE B 51 -5.535 -6.732 3.263 1.00 0.00 C ATOM 1804 C ILE B 51 -4.574 -7.572 2.426 1.00 0.00 C ATOM 1805 O ILE B 51 -4.630 -7.535 1.200 1.00 0.00 O ATOM 1806 CB ILE B 51 -4.790 -5.558 3.929 1.00 0.00 C ATOM 1807 CG1 ILE B 51 -5.721 -4.365 4.174 1.00 0.00 C ATOM 1808 CG2 ILE B 51 -3.611 -5.110 3.089 1.00 0.00 C ATOM 1809 CD1 ILE B 51 -6.968 -4.682 4.969 1.00 0.00 C ATOM 0 H ILE B 51 -6.114 -7.280 5.204 1.00 0.00 H new ATOM 0 HA ILE B 51 -6.289 -6.304 2.602 1.00 0.00 H new ATOM 0 HB ILE B 51 -4.427 -5.921 4.890 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -5.162 -3.588 4.697 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -6.018 -3.951 3.210 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -3.105 -4.281 3.584 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -2.914 -5.940 2.968 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -3.964 -4.787 2.110 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -7.562 -3.776 5.090 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -7.555 -5.433 4.441 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -6.687 -5.065 5.950 1.00 0.00 H new ATOM 1821 N GLU B 52 -3.739 -8.365 3.092 1.00 0.00 N ATOM 1822 CA GLU B 52 -2.695 -9.135 2.417 1.00 0.00 C ATOM 1823 C GLU B 52 -3.292 -10.090 1.390 1.00 0.00 C ATOM 1824 O GLU B 52 -2.729 -10.282 0.315 1.00 0.00 O ATOM 1825 CB GLU B 52 -1.878 -9.943 3.424 1.00 0.00 C ATOM 1826 CG GLU B 52 -1.472 -9.165 4.658 1.00 0.00 C ATOM 1827 CD GLU B 52 -2.444 -9.356 5.802 1.00 0.00 C ATOM 1828 OE1 GLU B 52 -2.051 -9.964 6.811 1.00 0.00 O ATOM 1829 OE2 GLU B 52 -3.604 -8.911 5.689 1.00 0.00 O ATOM 0 H GLU B 52 -3.765 -8.492 4.104 1.00 0.00 H new ATOM 0 HA GLU B 52 -2.047 -8.421 1.909 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -2.458 -10.813 3.731 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -0.980 -10.316 2.931 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -0.477 -9.480 4.973 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -1.408 -8.105 4.412 1.00 0.00 H new ATOM 1836 N ASP B 53 -4.427 -10.690 1.733 1.00 0.00 N ATOM 1837 CA ASP B 53 -5.126 -11.598 0.827 1.00 0.00 C ATOM 1838 C ASP B 53 -5.492 -10.874 -0.454 1.00 0.00 C ATOM 1839 O ASP B 53 -5.135 -11.299 -1.554 1.00 0.00 O ATOM 1840 CB ASP B 53 -6.410 -12.140 1.466 1.00 0.00 C ATOM 1841 CG ASP B 53 -6.154 -13.110 2.597 1.00 0.00 C ATOM 1842 OD1 ASP B 53 -5.793 -14.268 2.311 1.00 0.00 O ATOM 1843 OD2 ASP B 53 -6.337 -12.724 3.770 1.00 0.00 O ATOM 0 H ASP B 53 -4.885 -10.564 2.636 1.00 0.00 H new ATOM 0 HA ASP B 53 -4.456 -12.430 0.612 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -7.001 -11.305 1.841 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -7.007 -12.635 0.700 1.00 0.00 H new ATOM 1848 N VAL B 54 -6.195 -9.766 -0.294 1.00 0.00 N ATOM 1849 CA VAL B 54 -6.639 -8.974 -1.419 1.00 0.00 C ATOM 1850 C VAL B 54 -5.448 -8.376 -2.165 1.00 0.00 C ATOM 1851 O VAL B 54 -5.489 -8.212 -3.378 1.00 0.00 O ATOM 1852 CB VAL B 54 -7.625 -7.885 -0.959 1.00 0.00 C ATOM 1853 CG1 VAL B 54 -7.891 -6.881 -2.073 1.00 0.00 C ATOM 1854 CG2 VAL B 54 -8.921 -8.537 -0.511 1.00 0.00 C ATOM 0 H VAL B 54 -6.471 -9.395 0.615 1.00 0.00 H new ATOM 0 HA VAL B 54 -7.167 -9.626 -2.115 1.00 0.00 H new ATOM 0 HB VAL B 54 -7.184 -7.342 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -8.591 -6.123 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -6.955 -6.404 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -8.318 -7.397 -2.933 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -9.621 -7.768 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -9.355 -9.094 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -8.719 -9.218 0.316 1.00 0.00 H new ATOM 1864 N ILE B 55 -4.386 -8.069 -1.434 1.00 0.00 N ATOM 1865 CA ILE B 55 -3.124 -7.680 -2.036 1.00 0.00 C ATOM 1866 C ILE B 55 -2.597 -8.762 -2.963 1.00 0.00 C ATOM 1867 O ILE B 55 -2.426 -8.552 -4.163 1.00 0.00 O ATOM 1868 CB ILE B 55 -2.055 -7.434 -0.960 1.00 0.00 C ATOM 1869 CG1 ILE B 55 -2.397 -6.166 -0.172 1.00 0.00 C ATOM 1870 CG2 ILE B 55 -0.681 -7.342 -1.614 1.00 0.00 C ATOM 1871 CD1 ILE B 55 -1.772 -4.929 -0.739 1.00 0.00 C ATOM 0 H ILE B 55 -4.377 -8.083 -0.414 1.00 0.00 H new ATOM 0 HA ILE B 55 -3.317 -6.766 -2.598 1.00 0.00 H new ATOM 0 HB ILE B 55 -2.035 -8.267 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -3.480 -6.041 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.070 -6.289 0.861 1.00 0.00 H new ATOM 0 HG21 ILE B 55 0.075 -7.167 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.462 -8.275 -2.134 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -0.672 -6.518 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -2.055 -4.068 -0.133 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -0.687 -5.035 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -2.118 -4.782 -1.762 1.00 0.00 H new ATOM 1883 N ALA B 56 -2.361 -9.925 -2.387 1.00 0.00 N ATOM 1884 CA ALA B 56 -1.677 -10.996 -3.078 1.00 0.00 C ATOM 1885 C ALA B 56 -2.545 -11.591 -4.183 1.00 0.00 C ATOM 1886 O ALA B 56 -2.056 -12.310 -5.055 1.00 0.00 O ATOM 1887 CB ALA B 56 -1.248 -12.035 -2.061 1.00 0.00 C ATOM 0 H ALA B 56 -2.637 -10.151 -1.432 1.00 0.00 H new ATOM 0 HA ALA B 56 -0.789 -10.604 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -0.731 -12.849 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -0.578 -11.577 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -2.127 -12.427 -1.549 1.00 0.00 H new ATOM 1893 N GLN B 57 -3.833 -11.290 -4.136 1.00 0.00 N ATOM 1894 CA GLN B 57 -4.747 -11.665 -5.208 1.00 0.00 C ATOM 1895 C GLN B 57 -5.025 -10.489 -6.150 1.00 0.00 C ATOM 1896 O GLN B 57 -5.470 -10.682 -7.280 1.00 0.00 O ATOM 1897 CB GLN B 57 -6.063 -12.180 -4.619 1.00 0.00 C ATOM 1898 CG GLN B 57 -5.922 -13.509 -3.893 1.00 0.00 C ATOM 1899 CD GLN B 57 -5.506 -14.637 -4.817 1.00 0.00 C ATOM 1900 OE1 GLN B 57 -6.348 -15.319 -5.400 1.00 0.00 O ATOM 1901 NE2 GLN B 57 -4.206 -14.844 -4.961 1.00 0.00 N ATOM 0 H GLN B 57 -4.272 -10.786 -3.366 1.00 0.00 H new ATOM 0 HA GLN B 57 -4.271 -12.456 -5.788 1.00 0.00 H new ATOM 0 HB2 GLN B 57 -6.458 -11.437 -3.927 1.00 0.00 H new ATOM 0 HB3 GLN B 57 -6.793 -12.288 -5.421 1.00 0.00 H new ATOM 0 HG2 GLN B 57 -5.186 -13.407 -3.096 1.00 0.00 H new ATOM 0 HG3 GLN B 57 -6.871 -13.763 -3.420 1.00 0.00 H new ATOM 0 HE21 GLN B 57 -3.538 -14.258 -4.461 1.00 0.00 H new ATOM 0 HE22 GLN B 57 -3.873 -15.590 -5.572 1.00 0.00 H new ATOM 1910 N GLY B 58 -4.752 -9.276 -5.685 1.00 0.00 N ATOM 1911 CA GLY B 58 -5.133 -8.087 -6.428 1.00 0.00 C ATOM 1912 C GLY B 58 -4.008 -7.458 -7.225 1.00 0.00 C ATOM 1913 O GLY B 58 -4.240 -6.983 -8.339 1.00 0.00 O ATOM 0 H GLY B 58 -4.272 -9.093 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -5.945 -8.344 -7.109 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -5.525 -7.347 -5.730 1.00 0.00 H new ATOM 1917 N ILE B 59 -2.799 -7.416 -6.669 1.00 0.00 N ATOM 1918 CA ILE B 59 -1.673 -6.813 -7.377 1.00 0.00 C ATOM 1919 C ILE B 59 -1.277 -7.680 -8.570 1.00 0.00 C ATOM 1920 O ILE B 59 -1.377 -7.249 -9.723 1.00 0.00 O ATOM 1921 CB ILE B 59 -0.437 -6.552 -6.467 1.00 0.00 C ATOM 1922 CG1 ILE B 59 -0.653 -5.337 -5.556 1.00 0.00 C ATOM 1923 CG2 ILE B 59 0.802 -6.332 -7.315 1.00 0.00 C ATOM 1924 CD1 ILE B 59 -1.739 -5.496 -4.520 1.00 0.00 C ATOM 0 H ILE B 59 -2.576 -7.786 -5.745 1.00 0.00 H new ATOM 0 HA ILE B 59 -2.012 -5.837 -7.723 1.00 0.00 H new ATOM 0 HB ILE B 59 -0.302 -7.432 -5.838 1.00 0.00 H new ATOM 0 HG12 ILE B 59 0.284 -5.114 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE B 59 -0.890 -4.474 -6.178 1.00 0.00 H new ATOM 0 HG21 ILE B 59 1.659 -6.151 -6.667 1.00 0.00 H new ATOM 0 HG22 ILE B 59 0.988 -7.217 -7.924 1.00 0.00 H new ATOM 0 HG23 ILE B 59 0.650 -5.470 -7.965 1.00 0.00 H new ATOM 0 HD11 ILE B 59 -1.813 -4.584 -3.928 1.00 0.00 H new ATOM 0 HD12 ILE B 59 -2.691 -5.684 -5.017 1.00 0.00 H new ATOM 0 HD13 ILE B 59 -1.499 -6.335 -3.867 1.00 0.00 H new