USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 864 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 Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl -116:sc= -0.0823 (180deg=-0.914) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.954 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.395 K(o=0.4,f=-6.8!) USER MOD Single : A 30 LYS NZ :NH3+ -140:sc=-0.00647 (180deg=-0.892) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 1.04 (180deg=1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -17.8! C(o=-18!,f=-30!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0447 K(o=-0.045,f=-0.62) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0.331 X(o=0.33,f=0) USER MOD Single : B 13 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 15 MET CE :methyl -126:sc= -1.16 (180deg=-1.32) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc=-0.00146 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.28) USER MOD Single : B 27 ASN : amide:sc= 0.181 K(o=0.18,f=-3.5!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -49:sc= 0.0038 USER MOD Single : B 35 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.3) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 HIS : no HE2:sc= -26.2! C(o=-26!,f=-33!) USER MOD Single : B 50 THR OG1 : rot 77:sc= 1.22 USER MOD Single : B 52 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 4 6.741 15.563 -0.962 1.00 0.00 N ATOM 54 CA LEU A 4 6.428 14.380 -1.779 1.00 0.00 C ATOM 55 C LEU A 4 6.829 13.049 -1.116 1.00 0.00 C ATOM 56 O LEU A 4 6.149 12.035 -1.277 1.00 0.00 O ATOM 57 CB LEU A 4 7.020 14.558 -3.190 1.00 0.00 C ATOM 58 CG LEU A 4 8.558 14.597 -3.254 1.00 0.00 C ATOM 59 CD1 LEU A 4 9.168 13.223 -3.538 1.00 0.00 C ATOM 60 CD2 LEU A 4 9.031 15.541 -4.360 1.00 0.00 C ATOM 0 HA LEU A 4 5.344 14.310 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.666 13.742 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.631 15.483 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 4 8.887 14.943 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.254 13.307 -3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.883 12.528 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.802 12.853 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.121 15.553 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.648 15.197 -5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.662 16.547 -4.162 1.00 0.00 H new ATOM 72 N ARG A 5 7.919 13.058 -0.335 1.00 0.00 N ATOM 73 CA ARG A 5 8.438 11.882 0.390 1.00 0.00 C ATOM 74 C ARG A 5 7.568 11.525 1.598 1.00 0.00 C ATOM 75 O ARG A 5 7.369 10.348 1.898 1.00 0.00 O ATOM 76 CB ARG A 5 9.897 12.161 0.805 1.00 0.00 C ATOM 77 CG ARG A 5 10.763 10.894 0.768 1.00 0.00 C ATOM 78 CD ARG A 5 12.206 11.221 1.182 1.00 0.00 C ATOM 79 NE ARG A 5 13.143 10.146 0.790 1.00 0.00 N ATOM 80 CZ ARG A 5 13.849 10.072 -0.326 1.00 0.00 C ATOM 81 NH1 ARG A 5 13.784 10.982 -1.258 1.00 0.00 N ATOM 82 NH2 ARG A 5 14.649 9.066 -0.533 1.00 0.00 N ATOM 0 H ARG A 5 8.478 13.898 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 5 8.408 11.015 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.325 12.911 0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.913 12.581 1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.347 10.142 1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.753 10.468 -0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.514 12.159 0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.251 11.368 2.261 1.00 0.00 H new ATOM 0 HE ARG A 5 13.257 9.378 1.452 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.171 11.789 -1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.346 10.887 -2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.734 8.329 0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.191 9.014 -1.396 1.00 0.00 H new ATOM 96 N GLU A 6 7.001 12.543 2.248 1.00 0.00 N ATOM 97 CA GLU A 6 6.057 12.397 3.361 1.00 0.00 C ATOM 98 C GLU A 6 4.775 11.674 2.916 1.00 0.00 C ATOM 99 O GLU A 6 4.291 10.782 3.611 1.00 0.00 O ATOM 100 CB GLU A 6 5.736 13.789 3.941 1.00 0.00 C ATOM 101 CG GLU A 6 5.212 13.743 5.382 1.00 0.00 C ATOM 102 CD GLU A 6 6.352 13.530 6.400 1.00 0.00 C ATOM 103 OE1 GLU A 6 6.725 12.364 6.673 1.00 0.00 O ATOM 104 OE2 GLU A 6 6.884 14.532 6.937 1.00 0.00 O ATOM 0 H GLU A 6 7.189 13.517 2.010 1.00 0.00 H new ATOM 0 HA GLU A 6 6.516 11.783 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.635 14.404 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.994 14.276 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.691 14.673 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.484 12.938 5.478 1.00 0.00 H new ATOM 111 N LEU A 7 4.276 12.003 1.716 1.00 0.00 N ATOM 112 CA LEU A 7 3.112 11.350 1.101 1.00 0.00 C ATOM 113 C LEU A 7 3.337 9.836 0.941 1.00 0.00 C ATOM 114 O LEU A 7 2.573 9.028 1.466 1.00 0.00 O ATOM 115 CB LEU A 7 2.794 12.018 -0.260 1.00 0.00 C ATOM 116 CG LEU A 7 2.521 13.533 -0.237 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.953 13.983 -1.582 1.00 0.00 C ATOM 118 CD2 LEU A 7 1.557 13.969 0.863 1.00 0.00 C ATOM 0 H LEU A 7 4.676 12.741 1.137 1.00 0.00 H new ATOM 0 HA LEU A 7 2.254 11.477 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.630 11.833 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.923 11.521 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 7 3.483 14.003 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.763 15.056 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.670 13.760 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.020 13.454 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.415 15.049 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.598 13.470 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.969 13.700 1.836 1.00 0.00 H new ATOM 130 N TYR A 8 4.432 9.471 0.269 1.00 0.00 N ATOM 131 CA TYR A 8 4.888 8.109 -0.053 1.00 0.00 C ATOM 132 C TYR A 8 5.138 7.235 1.182 1.00 0.00 C ATOM 133 O TYR A 8 4.831 6.042 1.160 1.00 0.00 O ATOM 134 CB TYR A 8 6.226 8.283 -0.814 1.00 0.00 C ATOM 135 CG TYR A 8 6.543 7.384 -1.999 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.278 6.001 -1.964 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.222 7.932 -3.108 1.00 0.00 C ATOM 138 CE1 TYR A 8 6.713 5.170 -3.015 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.636 7.108 -4.173 1.00 0.00 C ATOM 140 CZ TYR A 8 7.388 5.719 -4.123 1.00 0.00 C ATOM 141 OH TYR A 8 7.817 4.900 -5.120 1.00 0.00 O ATOM 0 H TYR A 8 5.076 10.173 -0.094 1.00 0.00 H new ATOM 0 HA TYR A 8 4.113 7.603 -0.629 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.268 9.313 -1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.031 8.162 -0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.740 5.577 -1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.426 8.992 -3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.528 4.107 -2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.142 7.538 -5.025 1.00 0.00 H new ATOM 0 HH TYR A 8 8.263 5.432 -5.812 1.00 0.00 H new ATOM 151 N LYS A 9 5.709 7.790 2.257 1.00 0.00 N ATOM 152 CA LYS A 9 6.054 6.994 3.449 1.00 0.00 C ATOM 153 C LYS A 9 4.829 6.456 4.175 1.00 0.00 C ATOM 154 O LYS A 9 4.721 5.248 4.353 1.00 0.00 O ATOM 155 CB LYS A 9 6.997 7.786 4.379 1.00 0.00 C ATOM 156 CG LYS A 9 7.480 6.985 5.606 1.00 0.00 C ATOM 157 CD LYS A 9 8.474 5.864 5.251 1.00 0.00 C ATOM 158 CE LYS A 9 8.690 4.860 6.395 1.00 0.00 C ATOM 159 NZ LYS A 9 9.263 5.484 7.618 1.00 0.00 N ATOM 0 H LYS A 9 5.942 8.780 2.330 1.00 0.00 H new ATOM 0 HA LYS A 9 6.594 6.111 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.865 8.114 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.483 8.684 4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.951 7.667 6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.617 6.549 6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.111 5.331 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.432 6.309 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.738 4.392 6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.355 4.067 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.386 4.759 8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.186 5.907 7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.619 6.223 7.965 1.00 0.00 H new ATOM 173 N LEU A 10 3.886 7.314 4.544 1.00 0.00 N ATOM 174 CA LEU A 10 2.606 6.916 5.114 1.00 0.00 C ATOM 175 C LEU A 10 1.755 6.068 4.151 1.00 0.00 C ATOM 176 O LEU A 10 1.085 5.130 4.584 1.00 0.00 O ATOM 177 CB LEU A 10 1.880 8.162 5.649 1.00 0.00 C ATOM 178 CG LEU A 10 2.601 8.709 6.903 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.610 9.817 6.611 1.00 0.00 C ATOM 180 CD2 LEU A 10 1.591 9.230 7.924 1.00 0.00 C ATOM 0 H LEU A 10 3.992 8.324 4.454 1.00 0.00 H new ATOM 0 HA LEU A 10 2.789 6.247 5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.846 8.931 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.848 7.912 5.895 1.00 0.00 H new ATOM 0 HG LEU A 10 3.157 7.860 7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.071 10.145 7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.380 9.440 5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.100 10.659 6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.120 9.610 8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.004 10.033 7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.927 8.420 8.226 1.00 0.00 H new ATOM 192 N GLU A 11 1.869 6.308 2.842 1.00 0.00 N ATOM 193 CA GLU A 11 1.381 5.407 1.791 1.00 0.00 C ATOM 194 C GLU A 11 1.993 3.991 1.881 1.00 0.00 C ATOM 195 O GLU A 11 1.253 3.012 1.766 1.00 0.00 O ATOM 196 CB GLU A 11 1.611 6.100 0.424 1.00 0.00 C ATOM 197 CG GLU A 11 0.388 6.906 -0.054 1.00 0.00 C ATOM 198 CD GLU A 11 -0.775 6.056 -0.582 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.488 5.280 0.075 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.259 6.117 -1.726 1.00 0.00 O ATOM 0 H GLU A 11 2.312 7.150 2.474 1.00 0.00 H new ATOM 0 HA GLU A 11 0.313 5.231 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.471 6.765 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.857 5.345 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.027 7.517 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.706 7.590 -0.841 1.00 0.00 H new ATOM 207 N GLN A 12 3.293 3.835 2.180 1.00 0.00 N ATOM 208 CA GLN A 12 3.930 2.525 2.354 1.00 0.00 C ATOM 209 C GLN A 12 3.822 1.920 3.761 1.00 0.00 C ATOM 210 O GLN A 12 3.925 0.705 3.910 1.00 0.00 O ATOM 211 CB GLN A 12 5.385 2.616 1.903 1.00 0.00 C ATOM 212 CG GLN A 12 5.437 2.717 0.375 1.00 0.00 C ATOM 213 CD GLN A 12 6.870 2.749 -0.150 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.346 1.831 -0.804 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.619 3.796 0.128 1.00 0.00 N ATOM 0 H GLN A 12 3.932 4.620 2.308 1.00 0.00 H new ATOM 0 HA GLN A 12 3.371 1.829 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.863 3.486 2.353 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.938 1.739 2.240 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.910 1.869 -0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.913 3.617 0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.234 4.568 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.584 3.835 -0.201 1.00 0.00 H new ATOM 224 N GLN A 13 3.536 2.718 4.785 1.00 0.00 N ATOM 225 CA GLN A 13 3.214 2.223 6.133 1.00 0.00 C ATOM 226 C GLN A 13 1.921 1.407 6.139 1.00 0.00 C ATOM 227 O GLN A 13 1.867 0.368 6.796 1.00 0.00 O ATOM 228 CB GLN A 13 3.082 3.399 7.115 1.00 0.00 C ATOM 229 CG GLN A 13 4.413 4.077 7.474 1.00 0.00 C ATOM 230 CD GLN A 13 5.046 3.465 8.722 1.00 0.00 C ATOM 231 OE1 GLN A 13 5.817 2.517 8.662 1.00 0.00 O ATOM 232 NE2 GLN A 13 4.742 3.979 9.896 1.00 0.00 N ATOM 0 H GLN A 13 3.519 3.735 4.709 1.00 0.00 H new ATOM 0 HA GLN A 13 4.031 1.573 6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.413 4.144 6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.612 3.041 8.031 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.104 3.987 6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.246 5.142 7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.100 4.769 9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.148 3.587 10.745 1.00 0.00 H new ATOM 241 N ALA A 14 0.914 1.811 5.355 1.00 0.00 N ATOM 242 CA ALA A 14 -0.274 0.991 5.152 1.00 0.00 C ATOM 243 C ALA A 14 0.093 -0.304 4.417 1.00 0.00 C ATOM 244 O ALA A 14 -0.365 -1.368 4.809 1.00 0.00 O ATOM 245 CB ALA A 14 -1.325 1.812 4.394 1.00 0.00 C ATOM 0 H ALA A 14 0.903 2.700 4.854 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.699 0.699 6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.217 1.206 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.585 2.697 4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.921 2.118 3.429 1.00 0.00 H new ATOM 251 N MET A 15 0.974 -0.244 3.410 1.00 0.00 N ATOM 252 CA MET A 15 1.429 -1.422 2.643 1.00 0.00 C ATOM 253 C MET A 15 2.218 -2.428 3.491 1.00 0.00 C ATOM 254 O MET A 15 2.004 -3.632 3.357 1.00 0.00 O ATOM 255 CB MET A 15 2.268 -1.000 1.426 1.00 0.00 C ATOM 256 CG MET A 15 1.485 -0.131 0.429 1.00 0.00 C ATOM 257 SD MET A 15 1.666 -0.614 -1.307 1.00 0.00 S ATOM 258 CE MET A 15 0.780 -2.189 -1.218 1.00 0.00 C ATOM 0 H MET A 15 1.398 0.630 3.098 1.00 0.00 H new ATOM 0 HA MET A 15 0.522 -1.924 2.305 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.144 -0.450 1.769 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.631 -1.892 0.915 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.428 -0.164 0.692 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.808 0.904 0.539 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.468 -3.006 -1.436 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.368 -2.319 -0.217 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.030 -2.192 -1.947 1.00 0.00 H new ATOM 268 N LYS A 16 3.074 -1.964 4.409 1.00 0.00 N ATOM 269 CA LYS A 16 3.748 -2.828 5.392 1.00 0.00 C ATOM 270 C LYS A 16 2.749 -3.497 6.330 1.00 0.00 C ATOM 271 O LYS A 16 2.825 -4.710 6.534 1.00 0.00 O ATOM 272 CB LYS A 16 4.764 -1.990 6.187 1.00 0.00 C ATOM 273 CG LYS A 16 6.087 -1.777 5.429 1.00 0.00 C ATOM 274 CD LYS A 16 7.052 -2.972 5.532 1.00 0.00 C ATOM 275 CE LYS A 16 7.676 -3.066 6.933 1.00 0.00 C ATOM 276 NZ LYS A 16 8.597 -4.227 7.056 1.00 0.00 N ATOM 0 H LYS A 16 3.321 -0.978 4.493 1.00 0.00 H new ATOM 0 HA LYS A 16 4.268 -3.624 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.324 -1.020 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.970 -2.483 7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.868 -1.586 4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.581 -0.887 5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.517 -3.895 5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.841 -2.871 4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.220 -2.147 7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.884 -3.151 7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.996 -4.253 8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.073 -5.107 6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.367 -4.134 6.363 1.00 0.00 H new ATOM 290 N LEU A 17 1.777 -2.734 6.838 1.00 0.00 N ATOM 291 CA LEU A 17 0.664 -3.287 7.617 1.00 0.00 C ATOM 292 C LEU A 17 -0.147 -4.327 6.824 1.00 0.00 C ATOM 293 O LEU A 17 -0.395 -5.421 7.324 1.00 0.00 O ATOM 294 CB LEU A 17 -0.219 -2.137 8.147 1.00 0.00 C ATOM 295 CG LEU A 17 -0.186 -2.066 9.681 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.876 -0.795 10.163 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.881 -3.264 10.332 1.00 0.00 C ATOM 0 H LEU A 17 1.739 -1.721 6.722 1.00 0.00 H new ATOM 0 HA LEU A 17 1.076 -3.828 8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.125 -1.190 7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.246 -2.280 7.810 1.00 0.00 H new ATOM 0 HG LEU A 17 0.864 -2.071 9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.846 -0.756 11.252 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.362 0.075 9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.913 -0.795 9.828 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.831 -3.168 11.417 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.924 -3.294 10.018 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.383 -4.184 10.026 1.00 0.00 H new ATOM 309 N TYR A 18 -0.484 -4.027 5.569 1.00 0.00 N ATOM 310 CA TYR A 18 -1.199 -4.891 4.631 1.00 0.00 C ATOM 311 C TYR A 18 -0.466 -6.211 4.358 1.00 0.00 C ATOM 312 O TYR A 18 -1.112 -7.260 4.322 1.00 0.00 O ATOM 313 CB TYR A 18 -1.431 -4.127 3.312 1.00 0.00 C ATOM 314 CG TYR A 18 -2.698 -3.293 3.232 1.00 0.00 C ATOM 315 CD1 TYR A 18 -3.945 -3.900 3.464 1.00 0.00 C ATOM 316 CD2 TYR A 18 -2.645 -1.922 2.908 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.116 -3.124 3.486 1.00 0.00 C ATOM 318 CE2 TYR A 18 -3.808 -1.130 2.973 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.041 -1.727 3.311 1.00 0.00 C ATOM 320 OH TYR A 18 -6.149 -0.965 3.502 1.00 0.00 O ATOM 0 H TYR A 18 -0.252 -3.123 5.157 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.152 -5.155 5.089 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.578 -3.470 3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.445 -4.849 2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.003 -4.966 3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.708 -1.477 2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.075 -3.598 3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.756 -0.071 2.765 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.930 -0.023 3.343 1.00 0.00 H new ATOM 330 N ARG A 19 0.868 -6.196 4.193 1.00 0.00 N ATOM 331 CA ARG A 19 1.644 -7.417 3.904 1.00 0.00 C ATOM 332 C ARG A 19 1.609 -8.430 5.054 1.00 0.00 C ATOM 333 O ARG A 19 1.616 -9.636 4.812 1.00 0.00 O ATOM 334 CB ARG A 19 3.086 -7.046 3.498 1.00 0.00 C ATOM 335 CG ARG A 19 3.559 -7.896 2.307 1.00 0.00 C ATOM 336 CD ARG A 19 4.927 -7.448 1.771 1.00 0.00 C ATOM 337 NE ARG A 19 6.045 -7.910 2.619 1.00 0.00 N ATOM 338 CZ ARG A 19 6.745 -9.023 2.473 1.00 0.00 C ATOM 339 NH1 ARG A 19 6.471 -9.905 1.551 1.00 0.00 N ATOM 340 NH2 ARG A 19 7.751 -9.280 3.260 1.00 0.00 N ATOM 0 H ARG A 19 1.434 -5.350 4.255 1.00 0.00 H new ATOM 0 HA ARG A 19 1.168 -7.919 3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.133 -5.989 3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.756 -7.195 4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.616 -8.941 2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.822 -7.836 1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.060 -7.831 0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.950 -6.360 1.706 1.00 0.00 H new ATOM 0 HE ARG A 19 6.305 -7.307 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.693 -9.748 0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.035 -10.751 1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.004 -8.621 3.996 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.285 -10.141 3.140 1.00 0.00 H new ATOM 354 N GLU A 20 1.511 -7.952 6.296 1.00 0.00 N ATOM 355 CA GLU A 20 1.384 -8.783 7.499 1.00 0.00 C ATOM 356 C GLU A 20 -0.078 -9.132 7.815 1.00 0.00 C ATOM 357 O GLU A 20 -0.394 -10.271 8.158 1.00 0.00 O ATOM 358 CB GLU A 20 2.021 -8.028 8.679 1.00 0.00 C ATOM 359 CG GLU A 20 2.922 -8.889 9.572 1.00 0.00 C ATOM 360 CD GLU A 20 2.169 -9.988 10.349 1.00 0.00 C ATOM 361 OE1 GLU A 20 1.351 -9.657 11.241 1.00 0.00 O ATOM 362 OE2 GLU A 20 2.441 -11.190 10.113 1.00 0.00 O ATOM 0 H GLU A 20 1.518 -6.953 6.500 1.00 0.00 H new ATOM 0 HA GLU A 20 1.898 -9.728 7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.607 -7.196 8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.227 -7.599 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.689 -9.356 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.436 -8.242 10.283 1.00 0.00 H new ATOM 369 N ALA A 21 -0.989 -8.178 7.615 1.00 0.00 N ATOM 370 CA ALA A 21 -2.430 -8.398 7.706 1.00 0.00 C ATOM 371 C ALA A 21 -2.895 -9.525 6.770 1.00 0.00 C ATOM 372 O ALA A 21 -3.662 -10.386 7.190 1.00 0.00 O ATOM 373 CB ALA A 21 -3.173 -7.087 7.422 1.00 0.00 C ATOM 0 H ALA A 21 -0.741 -7.217 7.382 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.666 -8.720 8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.248 -7.256 7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.876 -6.335 8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.924 -6.737 6.420 1.00 0.00 H new ATOM 379 N SER A 22 -2.376 -9.576 5.538 1.00 0.00 N ATOM 380 CA SER A 22 -2.627 -10.659 4.576 1.00 0.00 C ATOM 381 C SER A 22 -2.078 -12.026 5.028 1.00 0.00 C ATOM 382 O SER A 22 -2.627 -13.060 4.646 1.00 0.00 O ATOM 383 CB SER A 22 -2.026 -10.275 3.216 1.00 0.00 C ATOM 384 OG SER A 22 -2.461 -11.151 2.188 1.00 0.00 O ATOM 0 H SER A 22 -1.757 -8.852 5.173 1.00 0.00 H new ATOM 0 HA SER A 22 -3.708 -10.776 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.310 -9.252 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.938 -10.298 3.279 1.00 0.00 H new ATOM 0 HG SER A 22 -2.062 -10.878 1.335 1.00 0.00 H new ATOM 390 N GLU A 23 -1.021 -12.065 5.852 1.00 0.00 N ATOM 391 CA GLU A 23 -0.487 -13.316 6.414 1.00 0.00 C ATOM 392 C GLU A 23 -1.422 -13.891 7.489 1.00 0.00 C ATOM 393 O GLU A 23 -1.774 -15.073 7.453 1.00 0.00 O ATOM 394 CB GLU A 23 0.906 -13.065 7.013 1.00 0.00 C ATOM 395 CG GLU A 23 1.703 -14.343 7.310 1.00 0.00 C ATOM 396 CD GLU A 23 2.216 -15.025 6.027 1.00 0.00 C ATOM 397 OE1 GLU A 23 3.342 -14.704 5.572 1.00 0.00 O ATOM 398 OE2 GLU A 23 1.508 -15.899 5.469 1.00 0.00 O ATOM 0 H GLU A 23 -0.512 -11.232 6.148 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.413 -14.045 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.479 -12.445 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.795 -12.497 7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.549 -14.099 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.074 -15.041 7.863 1.00 0.00 H new ATOM 405 N LYS A 24 -1.863 -13.044 8.431 1.00 0.00 N ATOM 406 CA LYS A 24 -2.828 -13.427 9.479 1.00 0.00 C ATOM 407 C LYS A 24 -4.207 -13.744 8.886 1.00 0.00 C ATOM 408 O LYS A 24 -4.792 -14.785 9.184 1.00 0.00 O ATOM 409 CB LYS A 24 -2.921 -12.306 10.531 1.00 0.00 C ATOM 410 CG LYS A 24 -3.559 -12.769 11.855 1.00 0.00 C ATOM 411 CD LYS A 24 -2.567 -13.546 12.740 1.00 0.00 C ATOM 412 CE LYS A 24 -3.241 -14.266 13.918 1.00 0.00 C ATOM 413 NZ LYS A 24 -3.879 -13.330 14.882 1.00 0.00 N ATOM 0 H LYS A 24 -1.561 -12.071 8.490 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.472 -14.337 9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.921 -11.921 10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.504 -11.481 10.123 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.927 -11.901 12.402 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.422 -13.400 11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.041 -14.279 12.128 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.817 -12.856 13.126 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.995 -14.953 13.534 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.499 -14.868 14.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.317 -13.872 15.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.158 -12.690 15.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.608 -12.772 14.394 1.00 0.00 H new ATOM 427 N ALA A 25 -4.699 -12.884 7.993 1.00 0.00 N ATOM 428 CA ALA A 25 -5.954 -13.032 7.257 1.00 0.00 C ATOM 429 C ALA A 25 -5.807 -13.924 6.008 1.00 0.00 C ATOM 430 O ALA A 25 -6.308 -13.585 4.933 1.00 0.00 O ATOM 431 CB ALA A 25 -6.498 -11.644 6.899 1.00 0.00 C ATOM 0 H ALA A 25 -4.208 -12.023 7.752 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.669 -13.543 7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.434 -11.750 6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.676 -11.076 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.772 -11.117 6.280 1.00 0.00 H new ATOM 437 N ARG A 26 -5.119 -15.070 6.125 1.00 0.00 N ATOM 438 CA ARG A 26 -4.949 -16.032 5.022 1.00 0.00 C ATOM 439 C ARG A 26 -6.273 -16.610 4.480 1.00 0.00 C ATOM 440 O ARG A 26 -6.298 -17.190 3.396 1.00 0.00 O ATOM 441 CB ARG A 26 -3.895 -17.093 5.409 1.00 0.00 C ATOM 442 CG ARG A 26 -4.129 -17.916 6.695 1.00 0.00 C ATOM 443 CD ARG A 26 -5.471 -18.658 6.716 1.00 0.00 C ATOM 444 NE ARG A 26 -5.465 -19.824 7.622 1.00 0.00 N ATOM 445 CZ ARG A 26 -6.396 -20.761 7.696 1.00 0.00 C ATOM 446 NH1 ARG A 26 -7.469 -20.739 6.954 1.00 0.00 N ATOM 447 NH2 ARG A 26 -6.269 -21.755 8.528 1.00 0.00 N ATOM 0 H ARG A 26 -4.662 -15.358 6.990 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.562 -15.489 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.805 -17.792 4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.934 -16.588 5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.322 -18.640 6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.079 -17.250 7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.257 -17.969 7.023 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.714 -18.989 5.706 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.667 -19.916 8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.613 -19.980 6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.164 -21.480 7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.447 -21.815 9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.992 -22.473 8.579 1.00 0.00 H new ATOM 461 N ASN A 27 -7.367 -16.452 5.233 1.00 0.00 N ATOM 462 CA ASN A 27 -8.736 -16.821 4.867 1.00 0.00 C ATOM 463 C ASN A 27 -9.237 -15.996 3.651 1.00 0.00 C ATOM 464 O ASN A 27 -9.110 -14.766 3.657 1.00 0.00 O ATOM 465 CB ASN A 27 -9.603 -16.609 6.127 1.00 0.00 C ATOM 466 CG ASN A 27 -11.050 -17.043 5.959 1.00 0.00 C ATOM 467 OD1 ASN A 27 -11.739 -16.639 5.039 1.00 0.00 O ATOM 468 ND2 ASN A 27 -11.567 -17.878 6.830 1.00 0.00 N ATOM 0 H ASN A 27 -7.317 -16.041 6.165 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.793 -17.862 4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.162 -17.162 6.957 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.580 -15.554 6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.536 -18.182 6.732 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.000 -18.223 7.604 1.00 0.00 H new ATOM 475 N PRO A 28 -9.849 -16.624 2.626 1.00 0.00 N ATOM 476 CA PRO A 28 -10.261 -15.950 1.390 1.00 0.00 C ATOM 477 C PRO A 28 -11.370 -14.902 1.574 1.00 0.00 C ATOM 478 O PRO A 28 -11.510 -14.024 0.721 1.00 0.00 O ATOM 479 CB PRO A 28 -10.685 -17.072 0.434 1.00 0.00 C ATOM 480 CG PRO A 28 -11.143 -18.183 1.374 1.00 0.00 C ATOM 481 CD PRO A 28 -10.185 -18.039 2.554 1.00 0.00 C ATOM 0 HA PRO A 28 -9.432 -15.361 0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.487 -16.752 -0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.858 -17.396 -0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.182 -18.054 1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.067 -19.165 0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.652 -18.377 3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.291 -18.646 2.408 1.00 0.00 H new ATOM 489 N GLU A 29 -12.116 -14.929 2.686 1.00 0.00 N ATOM 490 CA GLU A 29 -13.137 -13.910 3.011 1.00 0.00 C ATOM 491 C GLU A 29 -12.552 -12.496 3.147 1.00 0.00 C ATOM 492 O GLU A 29 -13.214 -11.494 2.875 1.00 0.00 O ATOM 493 CB GLU A 29 -13.819 -14.291 4.333 1.00 0.00 C ATOM 494 CG GLU A 29 -15.246 -13.747 4.494 1.00 0.00 C ATOM 495 CD GLU A 29 -16.263 -14.518 3.628 1.00 0.00 C ATOM 496 OE1 GLU A 29 -16.432 -14.184 2.430 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.915 -15.460 4.145 1.00 0.00 O ATOM 0 H GLU A 29 -12.032 -15.660 3.393 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.847 -13.891 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.847 -15.378 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.209 -13.926 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.541 -13.810 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.264 -12.692 4.221 1.00 0.00 H new ATOM 504 N LYS A 30 -11.283 -12.436 3.563 1.00 0.00 N ATOM 505 CA LYS A 30 -10.482 -11.217 3.718 1.00 0.00 C ATOM 506 C LYS A 30 -9.359 -11.103 2.683 1.00 0.00 C ATOM 507 O LYS A 30 -9.147 -10.008 2.161 1.00 0.00 O ATOM 508 CB LYS A 30 -9.955 -11.157 5.162 1.00 0.00 C ATOM 509 CG LYS A 30 -9.384 -9.788 5.587 1.00 0.00 C ATOM 510 CD LYS A 30 -10.380 -8.612 5.630 1.00 0.00 C ATOM 511 CE LYS A 30 -11.473 -8.744 6.707 1.00 0.00 C ATOM 512 NZ LYS A 30 -12.648 -9.545 6.258 1.00 0.00 N ATOM 0 H LYS A 30 -10.761 -13.276 3.813 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.120 -10.353 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.765 -11.423 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.178 -11.912 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.940 -9.896 6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.577 -9.527 4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.827 -7.689 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.857 -8.520 4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.044 -9.207 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.810 -7.749 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.523 -9.104 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.668 -9.579 5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.574 -10.512 6.635 1.00 0.00 H new ATOM 526 N LYS A 31 -8.716 -12.212 2.292 1.00 0.00 N ATOM 527 CA LYS A 31 -7.674 -12.264 1.242 1.00 0.00 C ATOM 528 C LYS A 31 -8.164 -11.925 -0.180 1.00 0.00 C ATOM 529 O LYS A 31 -7.345 -11.790 -1.085 1.00 0.00 O ATOM 530 CB LYS A 31 -6.934 -13.616 1.318 1.00 0.00 C ATOM 531 CG LYS A 31 -5.539 -13.585 0.667 1.00 0.00 C ATOM 532 CD LYS A 31 -4.733 -14.840 1.030 1.00 0.00 C ATOM 533 CE LYS A 31 -3.346 -14.861 0.372 1.00 0.00 C ATOM 534 NZ LYS A 31 -3.413 -15.142 -1.088 1.00 0.00 N ATOM 0 H LYS A 31 -8.907 -13.125 2.705 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.971 -11.459 1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.833 -13.909 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.538 -14.381 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.641 -13.515 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.001 -12.696 0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.618 -14.893 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.290 -15.726 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.857 -13.900 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.729 -15.618 0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.452 -15.145 -1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.855 -16.071 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.979 -14.407 -1.557 1.00 0.00 H new ATOM 548 N SER A 32 -9.468 -11.698 -0.368 1.00 0.00 N ATOM 549 CA SER A 32 -10.062 -11.136 -1.600 1.00 0.00 C ATOM 550 C SER A 32 -10.752 -9.778 -1.380 1.00 0.00 C ATOM 551 O SER A 32 -11.461 -9.286 -2.259 1.00 0.00 O ATOM 552 CB SER A 32 -11.041 -12.137 -2.239 1.00 0.00 C ATOM 553 OG SER A 32 -10.463 -13.426 -2.377 1.00 0.00 O ATOM 0 H SER A 32 -10.164 -11.904 0.348 1.00 0.00 H new ATOM 0 HA SER A 32 -9.231 -10.956 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.941 -12.206 -1.628 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.348 -11.770 -3.218 1.00 0.00 H new ATOM 0 HG SER A 32 -11.114 -14.035 -2.784 1.00 0.00 H new ATOM 559 N VAL A 33 -10.518 -9.150 -0.222 1.00 0.00 N ATOM 560 CA VAL A 33 -11.051 -7.834 0.171 1.00 0.00 C ATOM 561 C VAL A 33 -9.909 -6.845 0.382 1.00 0.00 C ATOM 562 O VAL A 33 -9.909 -5.792 -0.258 1.00 0.00 O ATOM 563 CB VAL A 33 -11.930 -7.969 1.429 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.228 -6.639 2.126 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.269 -8.615 1.063 1.00 0.00 C ATOM 0 H VAL A 33 -9.927 -9.560 0.501 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.680 -7.447 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.355 -8.585 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.852 -6.819 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.293 -6.173 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.752 -5.977 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.885 -8.707 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.784 -7.994 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.092 -9.604 0.641 1.00 0.00 H new ATOM 575 N LEU A 34 -8.875 -7.193 1.168 1.00 0.00 N ATOM 576 CA LEU A 34 -7.680 -6.356 1.243 1.00 0.00 C ATOM 577 C LEU A 34 -6.879 -6.384 -0.075 1.00 0.00 C ATOM 578 O LEU A 34 -6.133 -5.449 -0.353 1.00 0.00 O ATOM 579 CB LEU A 34 -6.899 -6.640 2.543 1.00 0.00 C ATOM 580 CG LEU A 34 -5.733 -7.624 2.432 1.00 0.00 C ATOM 581 CD1 LEU A 34 -4.837 -7.584 3.682 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.157 -9.068 2.202 1.00 0.00 C ATOM 0 H LEU A 34 -8.848 -8.032 1.747 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.961 -5.306 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.513 -5.694 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.599 -7.022 3.286 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.184 -7.289 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.020 -8.296 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.429 -6.581 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.426 -7.847 4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.272 -9.701 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.779 -9.401 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.724 -9.137 1.274 1.00 0.00 H new ATOM 594 N GLN A 35 -7.094 -7.395 -0.932 1.00 0.00 N ATOM 595 CA GLN A 35 -6.481 -7.503 -2.260 1.00 0.00 C ATOM 596 C GLN A 35 -6.863 -6.340 -3.198 1.00 0.00 C ATOM 597 O GLN A 35 -6.048 -5.891 -4.005 1.00 0.00 O ATOM 598 CB GLN A 35 -6.915 -8.848 -2.868 1.00 0.00 C ATOM 599 CG GLN A 35 -6.108 -9.309 -4.092 1.00 0.00 C ATOM 600 CD GLN A 35 -4.733 -9.868 -3.719 1.00 0.00 C ATOM 601 OE1 GLN A 35 -3.839 -9.164 -3.270 1.00 0.00 O ATOM 602 NE2 GLN A 35 -4.503 -11.153 -3.893 1.00 0.00 N ATOM 0 H GLN A 35 -7.713 -8.176 -0.713 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.398 -7.450 -2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.844 -9.616 -2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.965 -8.777 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.673 -10.072 -4.627 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.981 -8.469 -4.775 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.236 -11.756 -4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.592 -11.545 -3.654 1.00 0.00 H new ATOM 611 N LYS A 36 -8.098 -5.829 -3.092 1.00 0.00 N ATOM 612 CA LYS A 36 -8.627 -4.762 -3.953 1.00 0.00 C ATOM 613 C LYS A 36 -8.035 -3.397 -3.596 1.00 0.00 C ATOM 614 O LYS A 36 -7.634 -2.647 -4.483 1.00 0.00 O ATOM 615 CB LYS A 36 -10.169 -4.773 -3.834 1.00 0.00 C ATOM 616 CG LYS A 36 -10.930 -4.774 -5.167 1.00 0.00 C ATOM 617 CD LYS A 36 -10.780 -3.484 -5.991 1.00 0.00 C ATOM 618 CE LYS A 36 -9.575 -3.448 -6.942 1.00 0.00 C ATOM 619 NZ LYS A 36 -9.679 -4.461 -8.024 1.00 0.00 N ATOM 0 H LYS A 36 -8.768 -6.151 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.338 -4.946 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.467 -5.653 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.479 -3.901 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.584 -5.615 -5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.988 -4.940 -4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.688 -3.339 -6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.705 -2.641 -5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.494 -2.455 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.661 -3.620 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.828 -4.421 -8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.764 -5.409 -7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.518 -4.263 -8.606 1.00 0.00 H new ATOM 633 N ILE A 37 -7.898 -3.119 -2.298 1.00 0.00 N ATOM 634 CA ILE A 37 -7.116 -1.982 -1.793 1.00 0.00 C ATOM 635 C ILE A 37 -5.638 -2.171 -2.163 1.00 0.00 C ATOM 636 O ILE A 37 -5.037 -1.242 -2.683 1.00 0.00 O ATOM 637 CB ILE A 37 -7.283 -1.852 -0.259 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.739 -1.665 0.214 1.00 0.00 C ATOM 639 CG2 ILE A 37 -6.365 -0.725 0.244 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.953 -1.760 1.732 1.00 0.00 C ATOM 0 H ILE A 37 -8.328 -3.678 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.481 -1.063 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.987 -2.804 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.092 -0.691 -0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.361 -2.417 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.473 -0.623 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.329 -0.965 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.642 0.212 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.009 -1.615 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.638 -2.743 2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.365 -0.990 2.231 1.00 0.00 H new ATOM 652 N LEU A 38 -5.049 -3.359 -1.986 1.00 0.00 N ATOM 653 CA LEU A 38 -3.659 -3.622 -2.381 1.00 0.00 C ATOM 654 C LEU A 38 -3.380 -3.297 -3.858 1.00 0.00 C ATOM 655 O LEU A 38 -2.334 -2.713 -4.151 1.00 0.00 O ATOM 656 CB LEU A 38 -3.280 -5.081 -2.063 1.00 0.00 C ATOM 657 CG LEU A 38 -2.794 -5.315 -0.622 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.612 -6.812 -0.371 1.00 0.00 C ATOM 659 CD2 LEU A 38 -1.453 -4.616 -0.390 1.00 0.00 C ATOM 0 H LEU A 38 -5.519 -4.162 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.032 -2.950 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.146 -5.717 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.498 -5.398 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.541 -4.908 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.268 -6.970 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.563 -7.324 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.875 -7.211 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.124 -4.792 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.711 -5.013 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.568 -3.545 -0.556 1.00 0.00 H new ATOM 671 N GLU A 39 -4.301 -3.602 -4.781 1.00 0.00 N ATOM 672 CA GLU A 39 -4.132 -3.221 -6.191 1.00 0.00 C ATOM 673 C GLU A 39 -4.129 -1.701 -6.389 1.00 0.00 C ATOM 674 O GLU A 39 -3.256 -1.158 -7.069 1.00 0.00 O ATOM 675 CB GLU A 39 -5.228 -3.883 -7.049 1.00 0.00 C ATOM 676 CG GLU A 39 -4.977 -3.718 -8.560 1.00 0.00 C ATOM 677 CD GLU A 39 -6.164 -4.159 -9.444 1.00 0.00 C ATOM 678 OE1 GLU A 39 -7.110 -4.823 -8.956 1.00 0.00 O ATOM 679 OE2 GLU A 39 -6.164 -3.829 -10.656 1.00 0.00 O ATOM 0 H GLU A 39 -5.164 -4.107 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.155 -3.580 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.282 -4.944 -6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.195 -3.449 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.750 -2.672 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.096 -4.297 -8.837 1.00 0.00 H new ATOM 686 N ASP A 40 -5.066 -1.008 -5.748 1.00 0.00 N ATOM 687 CA ASP A 40 -5.153 0.440 -5.718 1.00 0.00 C ATOM 688 C ASP A 40 -3.905 1.089 -5.085 1.00 0.00 C ATOM 689 O ASP A 40 -3.419 2.100 -5.587 1.00 0.00 O ATOM 690 CB ASP A 40 -6.422 0.767 -4.923 1.00 0.00 C ATOM 691 CG ASP A 40 -7.729 0.779 -5.731 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.763 0.390 -6.923 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.749 1.177 -5.119 1.00 0.00 O ATOM 0 H ASP A 40 -5.810 -1.461 -5.217 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.199 0.845 -6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.521 0.040 -4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.295 1.744 -4.457 1.00 0.00 H new ATOM 698 N GLU A 41 -3.336 0.507 -4.023 1.00 0.00 N ATOM 699 CA GLU A 41 -2.185 1.105 -3.323 1.00 0.00 C ATOM 700 C GLU A 41 -0.888 0.909 -4.115 1.00 0.00 C ATOM 701 O GLU A 41 -0.081 1.833 -4.222 1.00 0.00 O ATOM 702 CB GLU A 41 -1.995 0.564 -1.891 1.00 0.00 C ATOM 703 CG GLU A 41 -3.118 0.822 -0.866 1.00 0.00 C ATOM 704 CD GLU A 41 -3.513 2.281 -0.621 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.880 3.236 -1.139 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.521 2.522 0.094 1.00 0.00 O ATOM 0 H GLU A 41 -3.652 -0.378 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.412 2.168 -3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.845 -0.514 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.074 0.990 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.006 0.281 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.813 0.389 0.087 1.00 0.00 H new ATOM 713 N GLU A 42 -0.707 -0.251 -4.751 1.00 0.00 N ATOM 714 CA GLU A 42 0.396 -0.473 -5.692 1.00 0.00 C ATOM 715 C GLU A 42 0.341 0.516 -6.871 1.00 0.00 C ATOM 716 O GLU A 42 1.381 1.019 -7.309 1.00 0.00 O ATOM 717 CB GLU A 42 0.375 -1.938 -6.159 1.00 0.00 C ATOM 718 CG GLU A 42 1.628 -2.310 -6.960 1.00 0.00 C ATOM 719 CD GLU A 42 1.651 -3.818 -7.277 1.00 0.00 C ATOM 720 OE1 GLU A 42 1.089 -4.234 -8.320 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.244 -4.599 -6.492 1.00 0.00 O ATOM 0 H GLU A 42 -1.317 -1.060 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 42 1.343 -0.285 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.293 -2.593 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.510 -2.109 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.654 -1.739 -7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.520 -2.040 -6.394 1.00 0.00 H new ATOM 728 N LYS A 43 -0.868 0.871 -7.334 1.00 0.00 N ATOM 729 CA LYS A 43 -1.084 1.912 -8.351 1.00 0.00 C ATOM 730 C LYS A 43 -0.644 3.301 -7.873 1.00 0.00 C ATOM 731 O LYS A 43 -0.017 4.028 -8.639 1.00 0.00 O ATOM 732 CB LYS A 43 -2.558 1.919 -8.809 1.00 0.00 C ATOM 733 CG LYS A 43 -2.722 2.042 -10.332 1.00 0.00 C ATOM 734 CD LYS A 43 -2.297 0.766 -11.082 1.00 0.00 C ATOM 735 CE LYS A 43 -2.540 0.860 -12.596 1.00 0.00 C ATOM 736 NZ LYS A 43 -3.983 0.769 -12.948 1.00 0.00 N ATOM 0 H LYS A 43 -1.733 0.438 -7.009 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.453 1.667 -9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.040 1.001 -8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.077 2.747 -8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.763 2.265 -10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.129 2.883 -10.690 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.239 0.577 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.847 -0.086 -10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.137 1.802 -12.968 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.996 0.061 -13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.094 0.838 -13.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.364 -0.141 -12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.501 1.547 -12.492 1.00 0.00 H new ATOM 750 N HIS A 44 -0.889 3.672 -6.611 1.00 0.00 N ATOM 751 CA HIS A 44 -0.433 4.918 -6.034 1.00 0.00 C ATOM 752 C HIS A 44 1.089 4.988 -5.981 1.00 0.00 C ATOM 753 O HIS A 44 1.661 5.972 -6.444 1.00 0.00 O ATOM 754 CB HIS A 44 -1.040 5.030 -4.635 1.00 0.00 C ATOM 755 CG HIS A 44 -2.545 5.047 -4.548 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.294 4.928 -3.362 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.392 5.134 -5.612 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.582 4.911 -3.779 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.658 5.021 -5.113 1.00 0.00 N ATOM 0 H HIS A 44 -1.421 3.095 -5.959 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.755 5.754 -6.655 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.674 4.195 -4.038 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.662 5.942 -4.172 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.945 4.868 -2.405 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.116 5.266 -6.648 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.436 4.821 -3.124 1.00 0.00 H new ATOM 767 N ILE A 45 1.751 3.936 -5.485 1.00 0.00 N ATOM 768 CA ILE A 45 3.216 3.836 -5.472 1.00 0.00 C ATOM 769 C ILE A 45 3.815 3.920 -6.892 1.00 0.00 C ATOM 770 O ILE A 45 4.836 4.580 -7.074 1.00 0.00 O ATOM 771 CB ILE A 45 3.628 2.567 -4.679 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.725 2.839 -3.156 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.979 2.000 -5.134 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.402 3.093 -2.427 1.00 0.00 C ATOM 0 H ILE A 45 1.283 3.126 -5.079 1.00 0.00 H new ATOM 0 HA ILE A 45 3.642 4.696 -4.955 1.00 0.00 H new ATOM 0 HB ILE A 45 2.840 1.842 -4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.216 1.987 -2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.371 3.703 -3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.218 1.114 -4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.924 1.732 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.756 2.751 -4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.598 3.270 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.912 3.966 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.754 2.223 -2.535 1.00 0.00 H new ATOM 786 N GLU A 46 3.173 3.341 -7.914 1.00 0.00 N ATOM 787 CA GLU A 46 3.576 3.527 -9.320 1.00 0.00 C ATOM 788 C GLU A 46 3.617 5.010 -9.735 1.00 0.00 C ATOM 789 O GLU A 46 4.614 5.484 -10.283 1.00 0.00 O ATOM 790 CB GLU A 46 2.640 2.738 -10.259 1.00 0.00 C ATOM 791 CG GLU A 46 3.209 1.390 -10.709 1.00 0.00 C ATOM 792 CD GLU A 46 4.342 1.561 -11.741 1.00 0.00 C ATOM 793 OE1 GLU A 46 4.047 1.771 -12.943 1.00 0.00 O ATOM 794 OE2 GLU A 46 5.535 1.469 -11.362 1.00 0.00 O ATOM 0 H GLU A 46 2.363 2.733 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 46 4.591 3.140 -9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.690 2.570 -9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.428 3.345 -11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.586 0.847 -9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.412 0.785 -11.142 1.00 0.00 H new ATOM 801 N TRP A 47 2.557 5.766 -9.439 1.00 0.00 N ATOM 802 CA TRP A 47 2.433 7.170 -9.831 1.00 0.00 C ATOM 803 C TRP A 47 3.360 8.081 -9.024 1.00 0.00 C ATOM 804 O TRP A 47 4.005 8.973 -9.574 1.00 0.00 O ATOM 805 CB TRP A 47 0.979 7.610 -9.616 1.00 0.00 C ATOM 806 CG TRP A 47 -0.129 6.801 -10.229 1.00 0.00 C ATOM 807 CD1 TRP A 47 -0.038 5.943 -11.272 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.527 6.753 -9.803 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.278 5.387 -11.527 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.233 5.841 -10.641 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.266 7.384 -8.779 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.599 5.565 -10.466 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.638 7.124 -8.593 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.303 6.208 -9.430 1.00 0.00 C ATOM 0 H TRP A 47 1.754 5.417 -8.916 1.00 0.00 H new ATOM 0 HA TRP A 47 2.721 7.257 -10.879 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.803 7.647 -8.541 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.886 8.630 -9.989 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.866 5.726 -11.822 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.464 4.723 -12.278 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.768 8.082 -8.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.103 4.868 -11.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.181 7.628 -7.807 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.352 5.999 -9.278 1.00 0.00 H new ATOM 825 N LEU A 48 3.484 7.810 -7.725 1.00 0.00 N ATOM 826 CA LEU A 48 4.411 8.460 -6.800 1.00 0.00 C ATOM 827 C LEU A 48 5.871 8.393 -7.256 1.00 0.00 C ATOM 828 O LEU A 48 6.653 9.290 -6.959 1.00 0.00 O ATOM 829 CB LEU A 48 4.252 7.760 -5.441 1.00 0.00 C ATOM 830 CG LEU A 48 3.049 8.268 -4.645 1.00 0.00 C ATOM 831 CD1 LEU A 48 2.782 7.318 -3.479 1.00 0.00 C ATOM 832 CD2 LEU A 48 3.311 9.669 -4.088 1.00 0.00 C ATOM 0 H LEU A 48 2.914 7.098 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 48 4.168 9.521 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.148 6.687 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.158 7.908 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 48 2.188 8.310 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.925 7.675 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.571 6.320 -3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.659 7.280 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.440 10.006 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.179 9.642 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.501 10.358 -4.911 1.00 0.00 H new ATOM 844 N GLU A 49 6.226 7.362 -8.013 1.00 0.00 N ATOM 845 CA GLU A 49 7.587 7.158 -8.533 1.00 0.00 C ATOM 846 C GLU A 49 7.777 7.912 -9.845 1.00 0.00 C ATOM 847 O GLU A 49 8.788 8.589 -10.037 1.00 0.00 O ATOM 848 CB GLU A 49 7.869 5.662 -8.760 1.00 0.00 C ATOM 849 CG GLU A 49 9.370 5.325 -8.673 1.00 0.00 C ATOM 850 CD GLU A 49 9.870 4.552 -9.911 1.00 0.00 C ATOM 851 OE1 GLU A 49 10.118 5.184 -10.967 1.00 0.00 O ATOM 852 OE2 GLU A 49 10.041 3.310 -9.833 1.00 0.00 O ATOM 0 H GLU A 49 5.573 6.630 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 49 8.287 7.542 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.325 5.076 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.490 5.369 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.942 6.247 -8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.555 4.732 -7.778 1.00 0.00 H new ATOM 859 N THR A 50 6.753 7.884 -10.701 1.00 0.00 N ATOM 860 CA THR A 50 6.669 8.700 -11.919 1.00 0.00 C ATOM 861 C THR A 50 6.777 10.209 -11.634 1.00 0.00 C ATOM 862 O THR A 50 7.243 10.980 -12.475 1.00 0.00 O ATOM 863 CB THR A 50 5.360 8.326 -12.637 1.00 0.00 C ATOM 864 OG1 THR A 50 5.477 7.036 -13.206 1.00 0.00 O ATOM 865 CG2 THR A 50 4.942 9.271 -13.749 1.00 0.00 C ATOM 0 H THR A 50 5.941 7.282 -10.566 1.00 0.00 H new ATOM 0 HA THR A 50 7.521 8.486 -12.565 1.00 0.00 H new ATOM 0 HB THR A 50 4.596 8.380 -11.861 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.641 6.802 -13.660 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.009 8.922 -14.192 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.798 10.271 -13.341 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.718 9.299 -14.513 1.00 0.00 H new ATOM 873 N ILE A 51 6.405 10.625 -10.422 1.00 0.00 N ATOM 874 CA ILE A 51 6.417 12.012 -9.918 1.00 0.00 C ATOM 875 C ILE A 51 7.717 12.363 -9.151 1.00 0.00 C ATOM 876 O ILE A 51 7.971 13.521 -8.810 1.00 0.00 O ATOM 877 CB ILE A 51 5.121 12.178 -9.087 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.910 12.212 -10.053 1.00 0.00 C ATOM 879 CG2 ILE A 51 5.110 13.411 -8.175 1.00 0.00 C ATOM 880 CD1 ILE A 51 2.553 12.028 -9.364 1.00 0.00 C ATOM 0 H ILE A 51 6.066 9.968 -9.719 1.00 0.00 H new ATOM 0 HA ILE A 51 6.424 12.731 -10.737 1.00 0.00 H new ATOM 0 HB ILE A 51 5.064 11.323 -8.414 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.909 13.164 -10.584 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.034 11.429 -10.802 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.167 13.452 -7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.936 13.347 -7.467 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.218 14.312 -8.779 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.759 12.064 -10.109 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.530 11.064 -8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.404 12.825 -8.636 1.00 0.00 H new ATOM 892 N ASN A 52 8.584 11.376 -8.938 1.00 0.00 N ATOM 893 CA ASN A 52 9.760 11.427 -8.050 1.00 0.00 C ATOM 894 C ASN A 52 11.054 10.949 -8.752 1.00 0.00 C ATOM 895 O ASN A 52 11.732 10.018 -8.302 1.00 0.00 O ATOM 896 CB ASN A 52 9.447 10.681 -6.735 1.00 0.00 C ATOM 897 CG ASN A 52 10.524 10.831 -5.667 1.00 0.00 C ATOM 898 OD1 ASN A 52 11.364 11.722 -5.692 1.00 0.00 O ATOM 899 ND2 ASN A 52 10.525 9.970 -4.673 1.00 0.00 N ATOM 0 H ASN A 52 8.487 10.471 -9.399 1.00 0.00 H new ATOM 0 HA ASN A 52 9.967 12.466 -7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.501 11.048 -6.337 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.311 9.622 -6.953 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.221 10.048 -3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.829 9.225 -4.643 1.00 0.00 H new ATOM 967 N LEU B 4 -7.857 -3.910 10.978 1.00 0.00 N ATOM 968 CA LEU B 4 -8.750 -2.951 10.322 1.00 0.00 C ATOM 969 C LEU B 4 -8.731 -1.563 10.985 1.00 0.00 C ATOM 970 O LEU B 4 -8.252 -0.615 10.364 1.00 0.00 O ATOM 971 CB LEU B 4 -10.151 -3.585 10.160 1.00 0.00 C ATOM 972 CG LEU B 4 -10.851 -3.950 11.489 1.00 0.00 C ATOM 973 CD1 LEU B 4 -12.041 -3.027 11.736 1.00 0.00 C ATOM 974 CD2 LEU B 4 -11.335 -5.398 11.556 1.00 0.00 C ATOM 0 HA LEU B 4 -8.381 -2.741 9.318 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.787 -2.893 9.608 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -10.059 -4.486 9.554 1.00 0.00 H new ATOM 0 HG LEU B 4 -10.092 -3.824 12.261 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -12.523 -3.298 12.676 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -11.696 -1.995 11.789 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -12.756 -3.129 10.920 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -11.815 -5.577 12.518 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -12.050 -5.580 10.754 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.485 -6.071 11.444 1.00 0.00 H new ATOM 986 N ARG B 5 -9.126 -1.435 12.262 1.00 0.00 N ATOM 987 CA ARG B 5 -9.083 -0.168 13.026 1.00 0.00 C ATOM 988 C ARG B 5 -7.674 0.418 13.135 1.00 0.00 C ATOM 989 O ARG B 5 -7.505 1.632 13.212 1.00 0.00 O ATOM 990 CB ARG B 5 -9.765 -0.354 14.401 1.00 0.00 C ATOM 991 CG ARG B 5 -9.067 -1.308 15.396 1.00 0.00 C ATOM 992 CD ARG B 5 -8.078 -0.600 16.338 1.00 0.00 C ATOM 993 NE ARG B 5 -7.429 -1.563 17.253 1.00 0.00 N ATOM 994 CZ ARG B 5 -6.854 -1.298 18.415 1.00 0.00 C ATOM 995 NH1 ARG B 5 -6.797 -0.092 18.907 1.00 0.00 N ATOM 996 NH2 ARG B 5 -6.319 -2.254 19.118 1.00 0.00 N ATOM 0 H ARG B 5 -9.490 -2.218 12.805 1.00 0.00 H new ATOM 0 HA ARG B 5 -9.649 0.577 12.468 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -9.854 0.625 14.873 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -10.778 -0.719 14.232 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -9.825 -1.815 15.993 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -8.535 -2.077 14.836 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -7.319 -0.084 15.751 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -8.603 0.159 16.918 1.00 0.00 H new ATOM 0 HE ARG B 5 -7.424 -2.539 16.956 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -7.205 0.689 18.392 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -6.345 0.071 19.807 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -6.341 -3.214 18.774 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -5.877 -2.043 20.013 1.00 0.00 H new ATOM 1010 N GLU B 6 -6.666 -0.455 13.112 1.00 0.00 N ATOM 1011 CA GLU B 6 -5.252 -0.087 13.146 1.00 0.00 C ATOM 1012 C GLU B 6 -4.787 0.556 11.831 1.00 0.00 C ATOM 1013 O GLU B 6 -4.199 1.636 11.835 1.00 0.00 O ATOM 1014 CB GLU B 6 -4.434 -1.346 13.508 1.00 0.00 C ATOM 1015 CG GLU B 6 -3.059 -0.960 14.077 1.00 0.00 C ATOM 1016 CD GLU B 6 -2.390 -2.125 14.836 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -2.938 -2.574 15.874 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -1.290 -2.569 14.433 1.00 0.00 O ATOM 0 H GLU B 6 -6.815 -1.463 13.068 1.00 0.00 H new ATOM 0 HA GLU B 6 -5.093 0.677 13.907 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -4.980 -1.942 14.239 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -4.304 -1.968 12.622 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -2.409 -0.639 13.263 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -3.172 -0.109 14.749 1.00 0.00 H new ATOM 1025 N LEU B 7 -5.116 -0.074 10.701 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.784 0.382 9.356 1.00 0.00 C ATOM 1027 C LEU B 7 -5.473 1.703 9.006 1.00 0.00 C ATOM 1028 O LEU B 7 -4.807 2.628 8.552 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.203 -0.728 8.380 1.00 0.00 C ATOM 1030 CG LEU B 7 -4.195 -1.883 8.309 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -3.885 -2.618 9.611 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -4.709 -2.926 7.325 1.00 0.00 C ATOM 0 H LEU B 7 -5.641 -0.949 10.701 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.713 0.576 9.290 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.174 -1.120 8.681 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.326 -0.300 7.385 1.00 0.00 H new ATOM 0 HG LEU B 7 -3.266 -1.397 8.012 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -3.160 -3.409 9.419 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -3.473 -1.916 10.336 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.801 -3.055 10.009 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.000 -3.752 7.267 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -5.675 -3.300 7.663 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.820 -2.473 6.340 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.780 1.801 9.274 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.670 2.955 9.043 1.00 0.00 C ATOM 1046 C TYR B 8 -7.096 4.293 9.481 1.00 0.00 C ATOM 1047 O TYR B 8 -7.322 5.322 8.846 1.00 0.00 O ATOM 1048 CB TYR B 8 -8.918 2.686 9.904 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.209 3.433 9.616 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.763 3.441 8.321 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -10.926 4.014 10.683 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -12.035 4.004 8.097 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.183 4.607 10.456 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.746 4.598 9.163 1.00 0.00 C ATOM 1055 OH TYR B 8 -13.970 5.156 8.956 1.00 0.00 O ATOM 0 H TYR B 8 -7.286 1.019 9.690 1.00 0.00 H new ATOM 0 HA TYR B 8 -7.852 3.037 7.971 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -9.137 1.620 9.836 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.648 2.890 10.940 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -10.211 3.014 7.497 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -10.509 4.004 11.679 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -12.467 3.981 7.108 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -12.717 5.069 11.273 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.312 5.516 9.801 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.371 4.273 10.593 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.748 5.462 11.178 1.00 0.00 C ATOM 1067 C LYS B 9 -4.609 6.030 10.329 1.00 0.00 C ATOM 1068 O LYS B 9 -4.682 7.183 9.905 1.00 0.00 O ATOM 1069 CB LYS B 9 -5.320 5.122 12.626 1.00 0.00 C ATOM 1070 CG LYS B 9 -5.333 6.337 13.570 1.00 0.00 C ATOM 1071 CD LYS B 9 -6.620 6.375 14.410 1.00 0.00 C ATOM 1072 CE LYS B 9 -6.626 7.588 15.350 1.00 0.00 C ATOM 1073 NZ LYS B 9 -7.758 7.527 16.314 1.00 0.00 N ATOM 0 H LYS B 9 -6.195 3.420 11.124 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.478 6.271 11.201 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -5.986 4.356 13.023 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -4.317 4.695 12.610 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -4.466 6.298 14.230 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -5.249 7.254 12.987 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -7.488 6.416 13.751 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -6.706 5.458 14.993 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -5.684 7.631 15.896 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -6.696 8.504 14.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -7.732 8.362 16.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -8.658 7.511 15.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -7.677 6.665 16.891 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.606 5.220 10.000 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.548 5.563 9.057 1.00 0.00 C ATOM 1089 C LEU B 10 -3.090 5.811 7.637 1.00 0.00 C ATOM 1090 O LEU B 10 -2.642 6.724 6.945 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.458 4.479 9.058 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.733 4.363 10.415 1.00 0.00 C ATOM 1093 CD1 LEU B 10 -1.328 3.280 11.315 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.748 4.051 10.198 1.00 0.00 C ATOM 0 H LEU B 10 -3.505 4.284 10.392 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.104 6.502 9.388 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -1.907 3.518 8.808 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.729 4.702 8.279 1.00 0.00 H new ATOM 0 HG LEU B 10 -0.859 5.325 10.912 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -0.777 3.245 12.255 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.375 3.508 11.516 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.257 2.313 10.817 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.248 3.972 11.163 1.00 0.00 H new ATOM 0 HD22 LEU B 10 0.846 3.108 9.660 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.207 4.850 9.616 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.110 5.050 7.236 1.00 0.00 N ATOM 1107 CA GLU B 11 -4.889 5.260 6.015 1.00 0.00 C ATOM 1108 C GLU B 11 -5.526 6.665 5.975 1.00 0.00 C ATOM 1109 O GLU B 11 -5.460 7.311 4.928 1.00 0.00 O ATOM 1110 CB GLU B 11 -5.907 4.102 5.892 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.362 2.879 5.126 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.275 3.065 3.603 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -4.445 3.750 2.985 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -5.956 2.473 2.745 1.00 0.00 O ATOM 0 H GLU B 11 -4.427 4.242 7.772 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.241 5.238 5.139 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.211 3.789 6.891 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -6.801 4.468 5.387 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.369 2.641 5.507 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -5.999 2.020 5.338 1.00 0.00 H new ATOM 1121 N GLN B 12 -6.044 7.214 7.090 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.587 8.577 7.110 1.00 0.00 C ATOM 1123 C GLN B 12 -5.560 9.684 7.361 1.00 0.00 C ATOM 1124 O GLN B 12 -5.795 10.826 6.969 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.718 8.632 8.132 1.00 0.00 C ATOM 1126 CG GLN B 12 -8.924 7.863 7.584 1.00 0.00 C ATOM 1127 CD GLN B 12 -10.023 7.729 8.626 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -11.004 8.461 8.655 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -9.878 6.785 9.527 1.00 0.00 N ATOM 0 H GLN B 12 -6.096 6.731 7.987 1.00 0.00 H new ATOM 0 HA GLN B 12 -6.954 8.785 6.105 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.393 8.198 9.077 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -7.992 9.667 8.335 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.315 8.377 6.706 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.607 6.872 7.259 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -9.060 6.176 9.501 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -10.583 6.660 10.253 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.396 9.369 7.923 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.272 10.314 8.004 1.00 0.00 C ATOM 1140 C GLN B 13 -2.749 10.712 6.621 1.00 0.00 C ATOM 1141 O GLN B 13 -2.401 11.876 6.422 1.00 0.00 O ATOM 1142 CB GLN B 13 -2.129 9.723 8.849 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.381 9.768 10.363 1.00 0.00 C ATOM 1144 CD GLN B 13 -2.039 11.133 10.961 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -2.717 12.130 10.749 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -0.967 11.243 11.719 1.00 0.00 N ATOM 0 H GLN B 13 -4.200 8.457 8.335 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.648 11.216 8.486 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -1.968 8.688 8.549 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.210 10.266 8.628 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.427 9.536 10.563 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -1.785 8.998 10.853 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -0.389 10.424 11.907 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -0.715 12.147 12.118 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.763 9.799 5.642 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.448 10.132 4.256 1.00 0.00 C ATOM 1157 C ALA B 14 -3.545 11.022 3.660 1.00 0.00 C ATOM 1158 O ALA B 14 -3.223 12.027 3.044 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.265 8.830 3.463 1.00 0.00 C ATOM 0 H ALA B 14 -2.992 8.816 5.791 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.519 10.699 4.205 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.029 9.066 2.425 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.450 8.251 3.898 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.185 8.248 3.502 1.00 0.00 H new ATOM 1165 N MET B 15 -4.827 10.731 3.900 1.00 0.00 N ATOM 1166 CA MET B 15 -5.961 11.571 3.453 1.00 0.00 C ATOM 1167 C MET B 15 -5.920 12.988 4.049 1.00 0.00 C ATOM 1168 O MET B 15 -6.148 13.957 3.326 1.00 0.00 O ATOM 1169 CB MET B 15 -7.295 10.894 3.814 1.00 0.00 C ATOM 1170 CG MET B 15 -7.442 9.491 3.201 1.00 0.00 C ATOM 1171 SD MET B 15 -9.050 9.156 2.440 1.00 0.00 S ATOM 1172 CE MET B 15 -8.867 10.267 1.024 1.00 0.00 C ATOM 0 H MET B 15 -5.118 9.900 4.414 1.00 0.00 H new ATOM 0 HA MET B 15 -5.874 11.672 2.371 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.377 10.821 4.898 1.00 0.00 H new ATOM 0 HB3 MET B 15 -8.119 11.522 3.473 1.00 0.00 H new ATOM 0 HG2 MET B 15 -6.665 9.356 2.448 1.00 0.00 H new ATOM 0 HG3 MET B 15 -7.264 8.750 3.980 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.716 10.949 0.985 1.00 0.00 H new ATOM 0 HE2 MET B 15 -7.946 10.840 1.128 1.00 0.00 H new ATOM 0 HE3 MET B 15 -8.829 9.682 0.105 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.568 13.145 5.333 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.344 14.459 5.961 1.00 0.00 C ATOM 1184 C LYS B 16 -4.162 15.204 5.343 1.00 0.00 C ATOM 1185 O LYS B 16 -4.266 16.402 5.078 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.137 14.278 7.474 1.00 0.00 C ATOM 1187 CG LYS B 16 -6.464 14.313 8.251 1.00 0.00 C ATOM 1188 CD LYS B 16 -6.970 15.755 8.441 1.00 0.00 C ATOM 1189 CE LYS B 16 -8.351 15.770 9.107 1.00 0.00 C ATOM 1190 NZ LYS B 16 -8.799 17.158 9.402 1.00 0.00 N ATOM 0 H LYS B 16 -5.429 12.361 5.970 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.229 15.070 5.782 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -4.635 13.329 7.659 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.480 15.064 7.846 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -7.215 13.730 7.717 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -6.329 13.843 9.225 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -6.262 16.315 9.052 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -7.023 16.256 7.474 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -9.076 15.283 8.455 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -8.317 15.193 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -9.736 17.132 9.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -8.119 17.613 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -8.855 17.700 8.516 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.072 14.496 5.051 1.00 0.00 N ATOM 1205 CA LEU B 17 -1.958 15.030 4.270 1.00 0.00 C ATOM 1206 C LEU B 17 -2.391 15.450 2.856 1.00 0.00 C ATOM 1207 O LEU B 17 -2.062 16.551 2.425 1.00 0.00 O ATOM 1208 CB LEU B 17 -0.822 13.987 4.258 1.00 0.00 C ATOM 1209 CG LEU B 17 0.300 14.346 5.244 1.00 0.00 C ATOM 1210 CD1 LEU B 17 1.261 13.171 5.379 1.00 0.00 C ATOM 1211 CD2 LEU B 17 1.114 15.570 4.811 1.00 0.00 C ATOM 0 H LEU B 17 -2.936 13.531 5.351 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.592 15.944 4.738 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.227 13.007 4.511 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.410 13.912 3.252 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.188 14.579 6.190 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.055 13.429 6.079 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.721 12.300 5.749 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.695 12.942 4.406 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.890 15.771 5.550 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.576 15.376 3.843 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.456 16.435 4.732 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.187 14.632 2.168 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.728 14.869 0.833 1.00 0.00 C ATOM 1225 C TYR B 18 -4.682 16.077 0.767 1.00 0.00 C ATOM 1226 O TYR B 18 -4.657 16.810 -0.222 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.370 13.568 0.312 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.400 12.647 -0.415 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -2.736 13.113 -1.564 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.135 11.344 0.053 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -1.746 12.332 -2.188 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.119 10.570 -0.539 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.395 11.081 -1.641 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.366 10.372 -2.177 1.00 0.00 O ATOM 0 H TYR B 18 -3.488 13.736 2.551 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.905 15.144 0.173 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -4.807 13.028 1.152 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.188 13.823 -0.362 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -2.989 14.081 -1.972 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.714 10.938 0.869 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.257 12.689 -3.082 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.893 9.587 -0.152 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.254 9.533 -1.683 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.461 16.353 1.825 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.266 17.586 1.959 1.00 0.00 C ATOM 1246 C ARG B 19 -5.412 18.863 1.947 1.00 0.00 C ATOM 1247 O ARG B 19 -5.797 19.841 1.309 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.129 17.519 3.235 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.359 16.609 3.084 1.00 0.00 C ATOM 1250 CD ARG B 19 -9.065 16.432 4.435 1.00 0.00 C ATOM 1251 NE ARG B 19 -10.344 15.703 4.299 1.00 0.00 N ATOM 1252 CZ ARG B 19 -11.558 16.222 4.199 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -11.771 17.508 4.177 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -12.601 15.446 4.121 1.00 0.00 N ATOM 0 H ARG B 19 -5.553 15.723 2.621 1.00 0.00 H new ATOM 0 HA ARG B 19 -6.914 17.641 1.085 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -6.517 17.158 4.062 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -7.458 18.524 3.497 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -9.050 17.039 2.359 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -8.054 15.637 2.696 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -8.410 15.891 5.118 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -9.250 17.410 4.878 1.00 0.00 H new ATOM 0 HE ARG B 19 -10.284 14.685 4.280 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -10.986 18.156 4.238 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -12.723 17.866 4.099 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -12.485 14.433 4.137 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -13.534 15.852 4.044 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.245 18.863 2.597 1.00 0.00 N ATOM 1269 CA GLU B 20 -3.311 20.009 2.589 1.00 0.00 C ATOM 1270 C GLU B 20 -2.459 20.062 1.319 1.00 0.00 C ATOM 1271 O GLU B 20 -2.254 21.123 0.729 1.00 0.00 O ATOM 1272 CB GLU B 20 -2.373 19.934 3.804 1.00 0.00 C ATOM 1273 CG GLU B 20 -1.963 21.327 4.322 1.00 0.00 C ATOM 1274 CD GLU B 20 -0.441 21.480 4.502 1.00 0.00 C ATOM 1275 OE1 GLU B 20 0.282 21.622 3.486 1.00 0.00 O ATOM 1276 OE2 GLU B 20 0.048 21.495 5.658 1.00 0.00 O ATOM 0 H GLU B 20 -3.914 18.070 3.147 1.00 0.00 H new ATOM 0 HA GLU B 20 -3.922 20.910 2.628 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -2.865 19.383 4.605 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.478 19.373 3.534 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -2.319 22.086 3.626 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -2.456 21.513 5.276 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.017 18.892 0.862 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.328 18.707 -0.412 1.00 0.00 C ATOM 1285 C ALA B 21 -2.148 19.245 -1.596 1.00 0.00 C ATOM 1286 O ALA B 21 -1.582 19.843 -2.505 1.00 0.00 O ATOM 1287 CB ALA B 21 -1.003 17.223 -0.594 1.00 0.00 C ATOM 0 H ALA B 21 -2.132 18.023 1.383 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.403 19.283 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.488 17.077 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.362 16.888 0.221 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.927 16.645 -0.590 1.00 0.00 H new ATOM 1293 N SER B 22 -3.478 19.104 -1.560 1.00 0.00 N ATOM 1294 CA SER B 22 -4.400 19.714 -2.527 1.00 0.00 C ATOM 1295 C SER B 22 -4.329 21.251 -2.535 1.00 0.00 C ATOM 1296 O SER B 22 -4.420 21.861 -3.601 1.00 0.00 O ATOM 1297 CB SER B 22 -5.830 19.243 -2.231 1.00 0.00 C ATOM 1298 OG SER B 22 -6.732 19.643 -3.251 1.00 0.00 O ATOM 0 H SER B 22 -3.953 18.553 -0.845 1.00 0.00 H new ATOM 0 HA SER B 22 -4.096 19.389 -3.522 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.844 18.157 -2.137 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.157 19.650 -1.274 1.00 0.00 H new ATOM 0 HG SER B 22 -7.633 19.326 -3.033 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.093 21.901 -1.385 1.00 0.00 N ATOM 1305 CA GLU B 23 -3.864 23.355 -1.321 1.00 0.00 C ATOM 1306 C GLU B 23 -2.488 23.749 -1.890 1.00 0.00 C ATOM 1307 O GLU B 23 -2.378 24.689 -2.680 1.00 0.00 O ATOM 1308 CB GLU B 23 -4.008 23.834 0.131 1.00 0.00 C ATOM 1309 CG GLU B 23 -4.363 25.323 0.204 1.00 0.00 C ATOM 1310 CD GLU B 23 -4.576 25.772 1.663 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -5.715 25.657 2.180 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -3.609 26.257 2.302 1.00 0.00 O ATOM 0 H GLU B 23 -4.055 21.438 -0.477 1.00 0.00 H new ATOM 0 HA GLU B 23 -4.615 23.844 -1.942 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -4.781 23.251 0.632 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -3.076 23.655 0.667 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -3.566 25.913 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -5.267 25.513 -0.374 1.00 0.00 H new ATOM 1319 N LYS B 24 -1.444 22.977 -1.551 1.00 0.00 N ATOM 1320 CA LYS B 24 -0.097 23.063 -2.163 1.00 0.00 C ATOM 1321 C LYS B 24 -0.103 22.834 -3.684 1.00 0.00 C ATOM 1322 O LYS B 24 0.709 23.426 -4.396 1.00 0.00 O ATOM 1323 CB LYS B 24 0.859 22.065 -1.474 1.00 0.00 C ATOM 1324 CG LYS B 24 1.889 22.716 -0.538 1.00 0.00 C ATOM 1325 CD LYS B 24 1.243 23.525 0.600 1.00 0.00 C ATOM 1326 CE LYS B 24 2.265 23.933 1.670 1.00 0.00 C ATOM 1327 NZ LYS B 24 2.613 22.796 2.559 1.00 0.00 N ATOM 0 H LYS B 24 -1.508 22.259 -0.830 1.00 0.00 H new ATOM 0 HA LYS B 24 0.254 24.083 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS B 24 0.268 21.350 -0.902 1.00 0.00 H new ATOM 0 HB3 LYS B 24 1.389 21.500 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS B 24 2.523 21.940 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS B 24 2.537 23.372 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS B 24 0.774 24.418 0.188 1.00 0.00 H new ATOM 0 HD3 LYS B 24 0.452 22.933 1.061 1.00 0.00 H new ATOM 0 HE2 LYS B 24 3.168 24.307 1.187 1.00 0.00 H new ATOM 0 HE3 LYS B 24 1.861 24.751 2.266 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 3.280 23.118 3.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 1.750 22.434 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 3.053 22.039 1.998 1.00 0.00 H new ATOM 1341 N ALA B 25 -1.044 22.031 -4.180 1.00 0.00 N ATOM 1342 CA ALA B 25 -1.178 21.601 -5.571 1.00 0.00 C ATOM 1343 C ALA B 25 -2.468 22.124 -6.235 1.00 0.00 C ATOM 1344 O ALA B 25 -3.112 21.411 -7.008 1.00 0.00 O ATOM 1345 CB ALA B 25 -1.082 20.073 -5.633 1.00 0.00 C ATOM 0 H ALA B 25 -1.776 21.641 -3.586 1.00 0.00 H new ATOM 0 HA ALA B 25 -0.361 22.037 -6.146 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -1.181 19.744 -6.667 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.117 19.753 -5.241 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.880 19.634 -5.035 1.00 0.00 H new ATOM 1351 N ARG B 26 -2.856 23.375 -5.942 1.00 0.00 N ATOM 1352 CA ARG B 26 -4.021 24.049 -6.552 1.00 0.00 C ATOM 1353 C ARG B 26 -4.031 24.079 -8.095 1.00 0.00 C ATOM 1354 O ARG B 26 -5.093 24.253 -8.693 1.00 0.00 O ATOM 1355 CB ARG B 26 -4.234 25.450 -5.938 1.00 0.00 C ATOM 1356 CG ARG B 26 -3.201 26.536 -6.300 1.00 0.00 C ATOM 1357 CD ARG B 26 -1.919 26.496 -5.458 1.00 0.00 C ATOM 1358 NE ARG B 26 -1.017 27.610 -5.817 1.00 0.00 N ATOM 1359 CZ ARG B 26 -0.290 28.351 -4.999 1.00 0.00 C ATOM 1360 NH1 ARG B 26 -0.268 28.155 -3.709 1.00 0.00 N ATOM 1361 NH2 ARG B 26 0.442 29.321 -5.469 1.00 0.00 N ATOM 0 H ARG B 26 -2.364 23.958 -5.265 1.00 0.00 H new ATOM 0 HA ARG B 26 -4.877 23.423 -6.300 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.219 25.806 -6.239 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -4.250 25.346 -4.853 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -2.934 26.431 -7.352 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -3.666 27.515 -6.186 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -2.172 26.555 -4.400 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -1.408 25.545 -5.611 1.00 0.00 H new ATOM 0 HE ARG B 26 -0.947 27.833 -6.810 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -0.826 27.407 -3.297 1.00 0.00 H new ATOM 0 HH12 ARG B 26 0.307 28.750 -3.113 1.00 0.00 H new ATOM 0 HH21 ARG B 26 0.455 29.511 -6.471 1.00 0.00 H new ATOM 0 HH22 ARG B 26 1.002 29.891 -4.835 1.00 0.00 H new ATOM 1375 N ASN B 27 -2.874 23.895 -8.738 1.00 0.00 N ATOM 1376 CA ASN B 27 -2.732 23.714 -10.187 1.00 0.00 C ATOM 1377 C ASN B 27 -3.540 22.488 -10.701 1.00 0.00 C ATOM 1378 O ASN B 27 -3.457 21.409 -10.103 1.00 0.00 O ATOM 1379 CB ASN B 27 -1.225 23.585 -10.492 1.00 0.00 C ATOM 1380 CG ASN B 27 -0.934 23.460 -11.979 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -1.228 22.454 -12.604 1.00 0.00 O ATOM 1382 ND2 ASN B 27 -0.382 24.474 -12.602 1.00 0.00 N ATOM 0 H ASN B 27 -1.980 23.867 -8.248 1.00 0.00 H new ATOM 0 HA ASN B 27 -3.146 24.573 -10.715 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -0.703 24.456 -10.096 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -0.827 22.712 -9.974 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -0.200 24.419 -13.604 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -0.134 25.317 -12.084 1.00 0.00 H new ATOM 1389 N PRO B 28 -4.287 22.604 -11.819 1.00 0.00 N ATOM 1390 CA PRO B 28 -5.198 21.555 -12.284 1.00 0.00 C ATOM 1391 C PRO B 28 -4.499 20.262 -12.737 1.00 0.00 C ATOM 1392 O PRO B 28 -5.118 19.198 -12.704 1.00 0.00 O ATOM 1393 CB PRO B 28 -6.017 22.187 -13.415 1.00 0.00 C ATOM 1394 CG PRO B 28 -5.106 23.288 -13.948 1.00 0.00 C ATOM 1395 CD PRO B 28 -4.376 23.764 -12.695 1.00 0.00 C ATOM 0 HA PRO B 28 -5.825 21.222 -11.457 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -6.260 21.459 -14.189 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.961 22.590 -13.049 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -4.413 22.910 -14.700 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.675 24.092 -14.414 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -3.385 24.144 -12.941 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.918 24.577 -12.212 1.00 0.00 H new ATOM 1403 N GLU B 29 -3.219 20.321 -13.125 1.00 0.00 N ATOM 1404 CA GLU B 29 -2.436 19.144 -13.530 1.00 0.00 C ATOM 1405 C GLU B 29 -2.311 18.116 -12.398 1.00 0.00 C ATOM 1406 O GLU B 29 -2.738 16.966 -12.528 1.00 0.00 O ATOM 1407 CB GLU B 29 -1.051 19.598 -14.035 1.00 0.00 C ATOM 1408 CG GLU B 29 -0.327 18.544 -14.882 1.00 0.00 C ATOM 1409 CD GLU B 29 -0.945 18.420 -16.289 1.00 0.00 C ATOM 1410 OE1 GLU B 29 -0.544 19.182 -17.203 1.00 0.00 O ATOM 1411 OE2 GLU B 29 -1.832 17.557 -16.495 1.00 0.00 O ATOM 0 H GLU B 29 -2.692 21.193 -13.167 1.00 0.00 H new ATOM 0 HA GLU B 29 -2.964 18.642 -14.341 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -1.169 20.507 -14.625 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.428 19.853 -13.178 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.727 18.809 -14.969 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.372 17.578 -14.378 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.794 18.557 -11.246 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.703 17.736 -10.025 1.00 0.00 C ATOM 1420 C LYS B 30 -3.076 17.423 -9.428 1.00 0.00 C ATOM 1421 O LYS B 30 -3.289 16.297 -8.978 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.810 18.378 -8.951 1.00 0.00 C ATOM 1423 CG LYS B 30 0.650 17.902 -8.958 1.00 0.00 C ATOM 1424 CD LYS B 30 1.510 18.504 -10.075 1.00 0.00 C ATOM 1425 CE LYS B 30 2.947 17.988 -9.914 1.00 0.00 C ATOM 1426 NZ LYS B 30 3.888 18.657 -10.848 1.00 0.00 N ATOM 0 H LYS B 30 -1.423 19.500 -11.130 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.243 16.800 -10.342 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.825 19.460 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.240 18.172 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.103 18.146 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.664 16.816 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.114 18.224 -11.051 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.490 19.593 -10.024 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.278 18.151 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS B 30 2.967 16.912 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 4.846 18.279 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.588 18.481 -11.828 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 3.889 19.681 -10.665 1.00 0.00 H new ATOM 1440 N LYS B 31 -4.025 18.365 -9.470 1.00 0.00 N ATOM 1441 CA LYS B 31 -5.425 18.187 -9.023 1.00 0.00 C ATOM 1442 C LYS B 31 -6.228 17.120 -9.801 1.00 0.00 C ATOM 1443 O LYS B 31 -7.350 16.804 -9.420 1.00 0.00 O ATOM 1444 CB LYS B 31 -6.122 19.561 -8.957 1.00 0.00 C ATOM 1445 CG LYS B 31 -7.374 19.568 -8.062 1.00 0.00 C ATOM 1446 CD LYS B 31 -7.888 20.989 -7.796 1.00 0.00 C ATOM 1447 CE LYS B 31 -9.184 20.913 -6.977 1.00 0.00 C ATOM 1448 NZ LYS B 31 -9.728 22.262 -6.673 1.00 0.00 N ATOM 0 H LYS B 31 -3.842 19.303 -9.826 1.00 0.00 H new ATOM 0 HA LYS B 31 -5.391 17.764 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -5.414 20.302 -8.585 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.403 19.867 -9.965 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -8.161 18.982 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.143 19.083 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.136 21.565 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -8.069 21.505 -8.739 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.928 20.337 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.994 20.380 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.603 22.167 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.029 22.803 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.934 22.762 -7.562 1.00 0.00 H new ATOM 1462 N SER B 32 -5.638 16.492 -10.824 1.00 0.00 N ATOM 1463 CA SER B 32 -6.169 15.301 -11.513 1.00 0.00 C ATOM 1464 C SER B 32 -5.196 14.102 -11.479 1.00 0.00 C ATOM 1465 O SER B 32 -5.313 13.149 -12.252 1.00 0.00 O ATOM 1466 CB SER B 32 -6.592 15.697 -12.935 1.00 0.00 C ATOM 1467 OG SER B 32 -7.587 14.816 -13.436 1.00 0.00 O ATOM 0 H SER B 32 -4.748 16.806 -11.211 1.00 0.00 H new ATOM 0 HA SER B 32 -7.048 14.945 -10.976 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.973 16.718 -12.933 1.00 0.00 H new ATOM 0 HB3 SER B 32 -5.724 15.682 -13.594 1.00 0.00 H new ATOM 0 HG SER B 32 -7.301 13.889 -13.300 1.00 0.00 H new ATOM 1473 N VAL B 33 -4.243 14.128 -10.538 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.224 13.091 -10.287 1.00 0.00 C ATOM 1475 C VAL B 33 -3.253 12.649 -8.821 1.00 0.00 C ATOM 1476 O VAL B 33 -3.369 11.451 -8.561 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.830 13.607 -10.706 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.672 12.736 -10.211 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.719 13.689 -12.234 1.00 0.00 C ATOM 0 H VAL B 33 -4.154 14.914 -9.894 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.450 12.213 -10.892 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.744 14.589 -10.242 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.273 13.163 -10.545 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.687 12.696 -9.122 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -0.777 11.728 -10.613 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.729 14.055 -12.508 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.872 12.699 -12.664 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.477 14.372 -12.618 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.272 13.577 -7.848 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.524 13.234 -6.449 1.00 0.00 C ATOM 1491 C LEU B 34 -5.001 12.829 -6.228 1.00 0.00 C ATOM 1492 O LEU B 34 -5.313 12.129 -5.268 1.00 0.00 O ATOM 1493 CB LEU B 34 -2.961 14.353 -5.544 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.973 15.382 -5.041 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -3.355 16.308 -3.989 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.554 16.294 -6.113 1.00 0.00 C ATOM 0 H LEU B 34 -3.115 14.571 -8.012 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.984 12.334 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.485 13.889 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.181 14.879 -6.094 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.773 14.762 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.102 17.027 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.013 15.717 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.509 16.840 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.260 16.988 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.750 16.856 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.068 15.693 -6.863 1.00 0.00 H new ATOM 1508 N GLN B 35 -5.905 13.206 -7.147 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.330 12.867 -7.099 1.00 0.00 C ATOM 1510 C GLN B 35 -7.589 11.363 -7.310 1.00 0.00 C ATOM 1511 O GLN B 35 -8.490 10.805 -6.685 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.062 13.746 -8.127 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.598 13.735 -8.019 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.297 12.537 -8.665 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -9.770 11.833 -9.519 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.531 12.272 -8.294 1.00 0.00 N ATOM 0 H GLN B 35 -5.656 13.768 -7.961 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.720 13.073 -6.102 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.713 14.773 -8.018 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -7.781 13.418 -9.128 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -9.871 13.767 -6.964 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -9.983 14.647 -8.475 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.985 12.847 -7.585 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.034 11.491 -8.716 1.00 0.00 H new ATOM 1525 N LYS B 36 -6.772 10.681 -8.126 1.00 0.00 N ATOM 1526 CA LYS B 36 -6.855 9.222 -8.327 1.00 0.00 C ATOM 1527 C LYS B 36 -6.446 8.433 -7.084 1.00 0.00 C ATOM 1528 O LYS B 36 -7.117 7.465 -6.730 1.00 0.00 O ATOM 1529 CB LYS B 36 -5.988 8.815 -9.536 1.00 0.00 C ATOM 1530 CG LYS B 36 -6.682 9.107 -10.876 1.00 0.00 C ATOM 1531 CD LYS B 36 -7.804 8.091 -11.183 1.00 0.00 C ATOM 1532 CE LYS B 36 -9.155 8.749 -11.492 1.00 0.00 C ATOM 1533 NZ LYS B 36 -9.142 9.493 -12.779 1.00 0.00 N ATOM 0 H LYS B 36 -6.031 11.125 -8.668 1.00 0.00 H new ATOM 0 HA LYS B 36 -7.899 8.976 -8.522 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -5.039 9.350 -9.497 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -5.757 7.752 -9.473 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -7.101 10.113 -10.855 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -5.944 9.085 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -7.505 7.477 -12.032 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -7.921 7.422 -10.331 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -9.930 7.983 -11.526 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -9.417 9.432 -10.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -10.076 9.919 -12.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -8.422 10.242 -12.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -8.919 8.839 -13.556 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.403 8.884 -6.383 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.044 8.357 -5.059 1.00 0.00 C ATOM 1549 C ILE B 37 -6.173 8.670 -4.069 1.00 0.00 C ATOM 1550 O ILE B 37 -6.646 7.754 -3.413 1.00 0.00 O ATOM 1551 CB ILE B 37 -3.692 8.948 -4.589 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -2.527 8.631 -5.546 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.396 8.487 -3.151 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.168 9.236 -5.172 1.00 0.00 C ATOM 0 H ILE B 37 -4.783 9.623 -6.714 1.00 0.00 H new ATOM 0 HA ILE B 37 -4.921 7.275 -5.114 1.00 0.00 H new ATOM 0 HB ILE B 37 -3.784 10.034 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.416 7.548 -5.606 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -2.796 8.980 -6.543 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.444 8.905 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.190 8.831 -2.488 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.344 7.399 -3.121 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.424 8.947 -5.915 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.249 10.323 -5.143 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -0.863 8.869 -4.192 1.00 0.00 H new ATOM 1566 N LEU B 38 -6.680 9.907 -3.998 1.00 0.00 N ATOM 1567 CA LEU B 38 -7.818 10.254 -3.131 1.00 0.00 C ATOM 1568 C LEU B 38 -9.043 9.346 -3.353 1.00 0.00 C ATOM 1569 O LEU B 38 -9.651 8.911 -2.375 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.200 11.733 -3.323 1.00 0.00 C ATOM 1571 CG LEU B 38 -7.339 12.733 -2.530 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -7.646 14.161 -2.984 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -7.639 12.634 -1.033 1.00 0.00 C ATOM 0 H LEU B 38 -6.317 10.694 -4.536 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.494 10.091 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.130 11.977 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.243 11.864 -3.034 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.292 12.493 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -7.033 14.862 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.424 14.261 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.700 14.379 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.020 13.349 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.691 12.858 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.419 11.625 -0.684 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.385 9.010 -4.602 1.00 0.00 N ATOM 1586 CA GLU B 39 -10.482 8.078 -4.897 1.00 0.00 C ATOM 1587 C GLU B 39 -10.214 6.657 -4.405 1.00 0.00 C ATOM 1588 O GLU B 39 -11.068 6.055 -3.754 1.00 0.00 O ATOM 1589 CB GLU B 39 -10.766 8.047 -6.411 1.00 0.00 C ATOM 1590 CG GLU B 39 -11.710 9.156 -6.881 1.00 0.00 C ATOM 1591 CD GLU B 39 -13.182 8.796 -6.598 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -13.810 8.100 -7.433 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -13.724 9.215 -5.548 1.00 0.00 O ATOM 0 H GLU B 39 -8.914 9.372 -5.431 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.351 8.451 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.823 8.132 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -11.197 7.080 -6.671 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -11.458 10.089 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.573 9.324 -7.949 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.019 6.136 -4.669 1.00 0.00 N ATOM 1601 CA ASP B 40 -8.548 4.859 -4.164 1.00 0.00 C ATOM 1602 C ASP B 40 -8.537 4.818 -2.628 1.00 0.00 C ATOM 1603 O ASP B 40 -8.976 3.835 -2.035 1.00 0.00 O ATOM 1604 CB ASP B 40 -7.139 4.679 -4.741 1.00 0.00 C ATOM 1605 CG ASP B 40 -7.075 4.040 -6.139 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -8.117 3.812 -6.800 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -5.931 3.777 -6.574 1.00 0.00 O ATOM 0 H ASP B 40 -8.334 6.609 -5.259 1.00 0.00 H new ATOM 0 HA ASP B 40 -9.211 4.049 -4.467 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.655 5.655 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -6.559 4.065 -4.052 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.101 5.891 -1.960 1.00 0.00 N ATOM 1613 CA GLU B 41 -7.983 5.901 -0.494 1.00 0.00 C ATOM 1614 C GLU B 41 -9.360 6.007 0.167 1.00 0.00 C ATOM 1615 O GLU B 41 -9.633 5.304 1.138 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.065 7.024 0.030 1.00 0.00 C ATOM 1617 CG GLU B 41 -5.576 6.998 -0.371 1.00 0.00 C ATOM 1618 CD GLU B 41 -4.790 5.731 -0.033 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.308 4.781 0.607 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -3.607 5.621 -0.452 1.00 0.00 O ATOM 0 H GLU B 41 -7.824 6.764 -2.409 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.521 4.951 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -7.482 7.975 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.116 7.015 1.119 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -5.512 7.160 -1.447 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.081 7.842 0.109 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.269 6.808 -0.394 1.00 0.00 N ATOM 1628 CA GLU B 42 -11.664 6.832 0.046 1.00 0.00 C ATOM 1629 C GLU B 42 -12.336 5.459 -0.129 1.00 0.00 C ATOM 1630 O GLU B 42 -13.086 5.032 0.751 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.428 7.955 -0.673 1.00 0.00 C ATOM 1632 CG GLU B 42 -13.816 8.176 -0.058 1.00 0.00 C ATOM 1633 CD GLU B 42 -14.482 9.451 -0.611 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -14.205 10.560 -0.090 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -15.304 9.356 -1.554 1.00 0.00 O ATOM 0 H GLU B 42 -10.061 7.451 -1.158 1.00 0.00 H new ATOM 0 HA GLU B 42 -11.688 7.048 1.114 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -11.854 8.880 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.533 7.707 -1.729 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -14.449 7.314 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -13.727 8.251 1.026 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.008 4.719 -1.201 1.00 0.00 N ATOM 1643 CA LYS B 43 -12.471 3.337 -1.401 1.00 0.00 C ATOM 1644 C LYS B 43 -11.955 2.384 -0.319 1.00 0.00 C ATOM 1645 O LYS B 43 -12.745 1.607 0.215 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.119 2.827 -2.817 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.314 2.125 -3.483 1.00 0.00 C ATOM 1648 CD LYS B 43 -14.359 3.138 -3.990 1.00 0.00 C ATOM 1649 CE LYS B 43 -15.700 2.490 -4.366 1.00 0.00 C ATOM 1650 NZ LYS B 43 -15.596 1.589 -5.545 1.00 0.00 N ATOM 0 H LYS B 43 -11.413 5.064 -1.954 1.00 0.00 H new ATOM 0 HA LYS B 43 -13.557 3.353 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -11.798 3.665 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.279 2.135 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -12.961 1.518 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -13.781 1.446 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -14.530 3.890 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -13.958 3.659 -4.860 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -16.076 1.924 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -16.430 3.272 -4.576 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -16.529 1.180 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -15.264 2.131 -6.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -14.921 0.825 -5.339 1.00 0.00 H new ATOM 1664 N HIS B 44 -10.680 2.474 0.080 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.114 1.706 1.170 1.00 0.00 C ATOM 1666 C HIS B 44 -10.825 1.993 2.487 1.00 0.00 C ATOM 1667 O HIS B 44 -11.204 1.055 3.182 1.00 0.00 O ATOM 1668 CB HIS B 44 -8.633 2.071 1.281 1.00 0.00 C ATOM 1669 CG HIS B 44 -7.766 1.821 0.075 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -6.447 2.289 -0.097 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.158 1.148 -1.041 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.122 1.909 -1.356 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.129 1.235 -1.932 1.00 0.00 N ATOM 0 H HIS B 44 -10.007 3.100 -0.363 1.00 0.00 H new ATOM 0 HA HIS B 44 -10.237 0.643 0.965 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -8.565 3.130 1.531 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.211 1.517 2.120 1.00 0.00 H new ATOM 0 HD1 HIS B 44 -5.870 2.797 0.573 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.101 0.643 -1.192 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.177 2.121 -1.833 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.059 3.271 2.805 1.00 0.00 N ATOM 1682 CA ILE B 45 -11.823 3.697 3.986 1.00 0.00 C ATOM 1683 C ILE B 45 -13.247 3.123 3.955 1.00 0.00 C ATOM 1684 O ILE B 45 -13.725 2.644 4.982 1.00 0.00 O ATOM 1685 CB ILE B 45 -11.795 5.250 4.093 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -10.651 5.755 5.001 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.103 5.875 4.611 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.243 5.485 4.467 1.00 0.00 C ATOM 0 H ILE B 45 -10.719 4.051 2.242 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.358 3.298 4.888 1.00 0.00 H new ATOM 0 HB ILE B 45 -11.641 5.569 3.062 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -10.769 6.829 5.148 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -10.749 5.287 5.980 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -12.996 6.959 4.654 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -13.921 5.618 3.938 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.319 5.492 5.608 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.506 5.874 5.170 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.099 4.411 4.348 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.119 5.977 3.502 1.00 0.00 H new ATOM 1700 N GLU B 46 -13.904 3.102 2.792 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.236 2.509 2.634 1.00 0.00 C ATOM 1702 C GLU B 46 -15.254 1.022 3.017 1.00 0.00 C ATOM 1703 O GLU B 46 -16.148 0.576 3.738 1.00 0.00 O ATOM 1704 CB GLU B 46 -15.750 2.710 1.192 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.221 3.138 1.137 1.00 0.00 C ATOM 1706 CD GLU B 46 -17.402 4.623 1.516 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -17.559 4.935 2.721 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -17.421 5.486 0.605 1.00 0.00 O ATOM 0 H GLU B 46 -13.526 3.497 1.931 1.00 0.00 H new ATOM 0 HA GLU B 46 -15.907 3.025 3.321 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.139 3.464 0.696 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -15.626 1.781 0.635 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -17.611 2.969 0.133 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.806 2.516 1.815 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.242 0.258 2.593 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.107 -1.161 2.909 1.00 0.00 C ATOM 1717 C TRP B 47 -13.704 -1.387 4.371 1.00 0.00 C ATOM 1718 O TRP B 47 -14.268 -2.247 5.039 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.055 -1.784 1.979 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.173 -1.575 0.494 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -14.302 -1.309 -0.205 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -12.097 -1.605 -0.496 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -13.992 -1.136 -1.542 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -12.641 -1.291 -1.776 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -10.710 -1.865 -0.439 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -11.844 -1.196 -2.929 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -9.900 -1.796 -1.591 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -10.462 -1.437 -2.829 1.00 0.00 C ATOM 0 H TRP B 47 -13.484 0.617 2.012 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.077 -1.636 2.760 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.080 -1.407 2.287 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.052 -2.859 2.160 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -15.294 -1.242 0.217 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -14.678 -0.920 -2.266 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -10.260 -2.122 0.508 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -12.287 -0.941 -3.880 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -8.846 -2.019 -1.522 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -9.833 -1.346 -3.702 1.00 0.00 H new ATOM 1739 N LEU B 48 -12.772 -0.586 4.888 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.309 -0.598 6.278 1.00 0.00 C ATOM 1741 C LEU B 48 -13.455 -0.372 7.274 1.00 0.00 C ATOM 1742 O LEU B 48 -13.571 -1.099 8.260 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.212 0.481 6.401 1.00 0.00 C ATOM 1744 CG LEU B 48 -9.840 -0.004 5.900 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -8.889 1.154 5.600 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.147 -0.879 6.947 1.00 0.00 C ATOM 0 H LEU B 48 -12.298 0.120 4.326 1.00 0.00 H new ATOM 0 HA LEU B 48 -11.905 -1.578 6.531 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.510 1.362 5.833 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.126 0.788 7.443 1.00 0.00 H new ATOM 0 HG LEU B 48 -10.046 -0.565 4.989 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -7.935 0.760 5.250 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -9.323 1.791 4.830 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -8.730 1.738 6.506 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.180 -1.207 6.565 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.000 -0.305 7.862 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -9.767 -1.750 7.161 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.347 0.576 6.985 1.00 0.00 N ATOM 1759 CA GLU B 49 -15.584 0.790 7.751 1.00 0.00 C ATOM 1760 C GLU B 49 -16.587 -0.355 7.548 1.00 0.00 C ATOM 1761 O GLU B 49 -17.195 -0.826 8.507 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.228 2.131 7.351 1.00 0.00 C ATOM 1763 CG GLU B 49 -16.815 2.910 8.538 1.00 0.00 C ATOM 1764 CD GLU B 49 -17.971 2.185 9.256 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.069 2.050 8.661 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -17.799 1.799 10.439 1.00 0.00 O ATOM 0 H GLU B 49 -14.234 1.225 6.206 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.318 0.814 8.808 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -15.480 2.750 6.855 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.018 1.942 6.624 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -16.021 3.107 9.258 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.171 3.877 8.184 1.00 0.00 H new ATOM 1773 N THR B 50 -16.719 -0.864 6.318 1.00 0.00 N ATOM 1774 CA THR B 50 -17.576 -2.025 6.016 1.00 0.00 C ATOM 1775 C THR B 50 -17.164 -3.290 6.788 1.00 0.00 C ATOM 1776 O THR B 50 -18.004 -4.121 7.141 1.00 0.00 O ATOM 1777 CB THR B 50 -17.583 -2.266 4.498 1.00 0.00 C ATOM 1778 OG1 THR B 50 -18.216 -1.191 3.837 1.00 0.00 O ATOM 1779 CG2 THR B 50 -18.331 -3.515 4.076 1.00 0.00 C ATOM 0 H THR B 50 -16.237 -0.486 5.502 1.00 0.00 H new ATOM 0 HA THR B 50 -18.587 -1.795 6.352 1.00 0.00 H new ATOM 0 HB THR B 50 -16.532 -2.372 4.228 1.00 0.00 H new ATOM 0 HG1 THR B 50 -17.605 -0.426 3.797 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.290 -3.615 2.991 1.00 0.00 H new ATOM 0 HG22 THR B 50 -17.871 -4.388 4.538 1.00 0.00 H new ATOM 0 HG23 THR B 50 -19.371 -3.442 4.395 1.00 0.00 H new ATOM 1787 N ILE B 51 -15.872 -3.413 7.096 1.00 0.00 N ATOM 1788 CA ILE B 51 -15.237 -4.542 7.793 1.00 0.00 C ATOM 1789 C ILE B 51 -15.188 -4.359 9.325 1.00 0.00 C ATOM 1790 O ILE B 51 -14.967 -5.316 10.072 1.00 0.00 O ATOM 1791 CB ILE B 51 -13.866 -4.797 7.108 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -14.120 -5.486 5.744 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -12.879 -5.633 7.938 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -12.949 -5.376 4.764 1.00 0.00 C ATOM 0 H ILE B 51 -15.198 -2.687 6.853 1.00 0.00 H new ATOM 0 HA ILE B 51 -15.840 -5.445 7.696 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.389 -3.824 6.989 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -14.339 -6.540 5.916 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -15.006 -5.047 5.286 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -11.951 -5.759 7.381 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.671 -5.123 8.878 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -13.314 -6.611 8.145 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -13.204 -5.883 3.833 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -12.743 -4.325 4.560 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -12.065 -5.841 5.200 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.473 -3.154 9.811 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.589 -2.832 11.236 1.00 0.00 C ATOM 1808 C ASN B 52 -16.883 -3.400 11.858 1.00 0.00 C ATOM 1809 O ASN B 52 -17.983 -3.193 11.334 1.00 0.00 O ATOM 1810 CB ASN B 52 -15.490 -1.303 11.388 1.00 0.00 C ATOM 1811 CG ASN B 52 -15.435 -0.841 12.833 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.916 -1.510 13.715 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -15.970 0.324 13.121 1.00 0.00 N ATOM 0 H ASN B 52 -15.635 -2.348 9.208 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.777 -3.306 11.787 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -14.599 -0.951 10.868 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -16.348 -0.841 10.899 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -15.952 0.670 14.080 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -16.403 0.882 12.385 1.00 0.00 H new