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 Set 1.1: A 22 SER OG : rot 176:sc= 0.777 USER MOD Set 1.2: A 31 LYS NZ :NH3+ 148:sc= 0.894 (180deg=-0.00505) 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 K(o=0,f=-0.63) USER MOD Single : A 15 MET CE :methyl -166:sc= -0.26 (180deg=-0.802) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 91:sc= -0.456 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.072) USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= 1.8 (180deg=1.24) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= 0.964 (180deg=0.623) USER MOD Single : A 44 HIS : no HE2:sc= -7.22! C(o=-7.2!,f=-11!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0384 X(o=-0.038,f=0) 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 X(o=0,f=-0.0099) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 15 MET CE :methyl -160:sc= -0.466 (180deg=-1.1) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 ASN : amide:sc= 0.0687 K(o=0.069,f=-3.1!) 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 -46:sc= 0.172 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.049) 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= -4.64! C(o=-4.6!,f=-14!) USER MOD Single : B 50 THR OG1 : rot 80:sc= 0.0572 USER MOD Single : B 52 ASN : amide:sc= 0.436 X(o=0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 4 6.350 15.125 -1.531 1.00 0.00 N ATOM 54 CA LEU A 4 5.777 13.883 -2.063 1.00 0.00 C ATOM 55 C LEU A 4 6.388 12.607 -1.461 1.00 0.00 C ATOM 56 O LEU A 4 5.694 11.604 -1.300 1.00 0.00 O ATOM 57 CB LEU A 4 5.840 13.912 -3.599 1.00 0.00 C ATOM 58 CG LEU A 4 7.263 13.801 -4.179 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.519 12.410 -4.761 1.00 0.00 C ATOM 60 CD2 LEU A 4 7.501 14.843 -5.270 1.00 0.00 C ATOM 0 HA LEU A 4 4.733 13.839 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.236 13.094 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.388 14.839 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 4 7.953 13.979 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.531 12.364 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.405 11.661 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.803 12.212 -5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.514 14.738 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.785 14.694 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.374 15.842 -4.853 1.00 0.00 H new ATOM 72 N ARG A 5 7.668 12.659 -1.067 1.00 0.00 N ATOM 73 CA ARG A 5 8.386 11.556 -0.402 1.00 0.00 C ATOM 74 C ARG A 5 7.861 11.336 1.024 1.00 0.00 C ATOM 75 O ARG A 5 7.809 10.206 1.503 1.00 0.00 O ATOM 76 CB ARG A 5 9.898 11.865 -0.447 1.00 0.00 C ATOM 77 CG ARG A 5 10.811 10.637 -0.615 1.00 0.00 C ATOM 78 CD ARG A 5 10.910 9.740 0.623 1.00 0.00 C ATOM 79 NE ARG A 5 11.957 8.713 0.444 1.00 0.00 N ATOM 80 CZ ARG A 5 12.654 8.109 1.391 1.00 0.00 C ATOM 81 NH1 ARG A 5 12.469 8.355 2.658 1.00 0.00 N ATOM 82 NH2 ARG A 5 13.565 7.232 1.077 1.00 0.00 N ATOM 0 H ARG A 5 8.248 13.487 -1.204 1.00 0.00 H new ATOM 0 HA ARG A 5 8.210 10.616 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.088 12.555 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.175 12.381 0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.445 10.041 -1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.811 10.978 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.135 10.347 1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.949 9.259 0.807 1.00 0.00 H new ATOM 0 HE ARG A 5 12.165 8.440 -0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.766 9.035 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.027 7.868 3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.742 7.009 0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.101 6.768 1.811 1.00 0.00 H new ATOM 96 N GLU A 6 7.404 12.407 1.674 1.00 0.00 N ATOM 97 CA GLU A 6 6.740 12.358 2.980 1.00 0.00 C ATOM 98 C GLU A 6 5.401 11.597 2.906 1.00 0.00 C ATOM 99 O GLU A 6 5.108 10.771 3.769 1.00 0.00 O ATOM 100 CB GLU A 6 6.552 13.796 3.506 1.00 0.00 C ATOM 101 CG GLU A 6 6.308 13.861 5.021 1.00 0.00 C ATOM 102 CD GLU A 6 7.586 13.547 5.825 1.00 0.00 C ATOM 103 OE1 GLU A 6 8.386 14.479 6.086 1.00 0.00 O ATOM 104 OE2 GLU A 6 7.801 12.372 6.206 1.00 0.00 O ATOM 0 H GLU A 6 7.486 13.353 1.301 1.00 0.00 H new ATOM 0 HA GLU A 6 7.368 11.806 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.437 14.383 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.711 14.258 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.946 14.854 5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.525 13.153 5.293 1.00 0.00 H new ATOM 111 N LEU A 7 4.625 11.809 1.834 1.00 0.00 N ATOM 112 CA LEU A 7 3.372 11.084 1.573 1.00 0.00 C ATOM 113 C LEU A 7 3.621 9.588 1.321 1.00 0.00 C ATOM 114 O LEU A 7 3.003 8.742 1.966 1.00 0.00 O ATOM 115 CB LEU A 7 2.625 11.698 0.369 1.00 0.00 C ATOM 116 CG LEU A 7 2.335 13.204 0.450 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.494 13.628 -0.752 1.00 0.00 C ATOM 118 CD2 LEU A 7 1.586 13.596 1.720 1.00 0.00 C ATOM 0 H LEU A 7 4.852 12.496 1.115 1.00 0.00 H new ATOM 0 HA LEU A 7 2.754 11.180 2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.211 11.509 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.678 11.172 0.249 1.00 0.00 H new ATOM 0 HG LEU A 7 3.301 13.709 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.289 14.697 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.039 13.413 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.553 13.077 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.410 14.672 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.631 13.072 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.182 13.325 2.592 1.00 0.00 H new ATOM 130 N TYR A 8 4.562 9.283 0.422 1.00 0.00 N ATOM 131 CA TYR A 8 5.005 7.946 -0.018 1.00 0.00 C ATOM 132 C TYR A 8 5.250 6.975 1.137 1.00 0.00 C ATOM 133 O TYR A 8 4.901 5.799 1.044 1.00 0.00 O ATOM 134 CB TYR A 8 6.337 8.162 -0.774 1.00 0.00 C ATOM 135 CG TYR A 8 6.701 7.283 -1.960 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.634 5.878 -1.884 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.253 7.889 -3.108 1.00 0.00 C ATOM 138 CE1 TYR A 8 7.120 5.085 -2.944 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.727 7.102 -4.173 1.00 0.00 C ATOM 140 CZ TYR A 8 7.671 5.696 -4.091 1.00 0.00 C ATOM 141 OH TYR A 8 8.184 4.940 -5.098 1.00 0.00 O ATOM 0 H TYR A 8 5.078 10.020 -0.058 1.00 0.00 H new ATOM 0 HA TYR A 8 4.222 7.500 -0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.345 9.194 -1.124 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.141 8.067 -0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.209 5.406 -1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.312 8.966 -3.170 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.071 4.008 -2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.134 7.575 -5.054 1.00 0.00 H new ATOM 0 HH TYR A 8 8.519 5.526 -5.809 1.00 0.00 H new ATOM 151 N LYS A 9 5.855 7.451 2.226 1.00 0.00 N ATOM 152 CA LYS A 9 6.199 6.603 3.373 1.00 0.00 C ATOM 153 C LYS A 9 4.977 6.077 4.118 1.00 0.00 C ATOM 154 O LYS A 9 4.820 4.864 4.221 1.00 0.00 O ATOM 155 CB LYS A 9 7.210 7.347 4.261 1.00 0.00 C ATOM 156 CG LYS A 9 7.894 6.434 5.290 1.00 0.00 C ATOM 157 CD LYS A 9 9.012 7.201 6.018 1.00 0.00 C ATOM 158 CE LYS A 9 9.846 6.312 6.952 1.00 0.00 C ATOM 159 NZ LYS A 9 9.097 5.897 8.168 1.00 0.00 N ATOM 0 H LYS A 9 6.120 8.429 2.340 1.00 0.00 H new ATOM 0 HA LYS A 9 6.679 5.693 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.970 7.806 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.699 8.155 4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.161 6.073 6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.309 5.558 4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.670 7.659 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.570 8.012 6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.170 5.424 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.746 6.849 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.705 5.299 8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.810 6.741 8.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.251 5.360 7.888 1.00 0.00 H new ATOM 173 N LEU A 10 4.065 6.945 4.549 1.00 0.00 N ATOM 174 CA LEU A 10 2.766 6.555 5.090 1.00 0.00 C ATOM 175 C LEU A 10 1.917 5.763 4.077 1.00 0.00 C ATOM 176 O LEU A 10 1.253 4.793 4.442 1.00 0.00 O ATOM 177 CB LEU A 10 2.016 7.787 5.625 1.00 0.00 C ATOM 178 CG LEU A 10 2.723 8.421 6.842 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.664 9.564 6.462 1.00 0.00 C ATOM 180 CD2 LEU A 10 1.691 8.956 7.838 1.00 0.00 C ATOM 0 H LEU A 10 4.210 7.954 4.532 1.00 0.00 H new ATOM 0 HA LEU A 10 2.948 5.876 5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.928 8.529 4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.003 7.499 5.906 1.00 0.00 H new ATOM 0 HG LEU A 10 3.321 7.627 7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.129 9.967 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.437 9.191 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.098 10.351 5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.205 9.400 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.074 9.712 7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.058 8.137 8.181 1.00 0.00 H new ATOM 192 N GLU A 11 2.004 6.117 2.793 1.00 0.00 N ATOM 193 CA GLU A 11 1.433 5.362 1.671 1.00 0.00 C ATOM 194 C GLU A 11 1.970 3.917 1.583 1.00 0.00 C ATOM 195 O GLU A 11 1.177 3.001 1.350 1.00 0.00 O ATOM 196 CB GLU A 11 1.660 6.182 0.378 1.00 0.00 C ATOM 197 CG GLU A 11 0.486 7.113 0.034 1.00 0.00 C ATOM 198 CD GLU A 11 -0.744 6.378 -0.507 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.677 5.924 0.174 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.030 6.196 -1.704 1.00 0.00 O ATOM 0 H GLU A 11 2.489 6.963 2.494 1.00 0.00 H new ATOM 0 HA GLU A 11 0.362 5.231 1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.566 6.777 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.827 5.497 -0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.202 7.670 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.817 7.843 -0.705 1.00 0.00 H new ATOM 207 N GLN A 12 3.261 3.660 1.850 1.00 0.00 N ATOM 208 CA GLN A 12 3.804 2.301 1.902 1.00 0.00 C ATOM 209 C GLN A 12 3.652 1.598 3.247 1.00 0.00 C ATOM 210 O GLN A 12 3.619 0.371 3.293 1.00 0.00 O ATOM 211 CB GLN A 12 5.276 2.322 1.512 1.00 0.00 C ATOM 212 CG GLN A 12 5.375 2.466 -0.002 1.00 0.00 C ATOM 213 CD GLN A 12 6.809 2.320 -0.508 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.125 1.461 -1.321 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.738 3.130 -0.045 1.00 0.00 N ATOM 0 H GLN A 12 3.951 4.388 2.034 1.00 0.00 H new ATOM 0 HA GLN A 12 3.209 1.724 1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.786 3.149 2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.767 1.405 1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.746 1.713 -0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.986 3.440 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.494 3.852 0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.702 3.036 -0.364 1.00 0.00 H new ATOM 224 N GLN A 13 3.509 2.338 4.340 1.00 0.00 N ATOM 225 CA GLN A 13 3.225 1.748 5.651 1.00 0.00 C ATOM 226 C GLN A 13 1.882 1.016 5.660 1.00 0.00 C ATOM 227 O GLN A 13 1.780 -0.010 6.326 1.00 0.00 O ATOM 228 CB GLN A 13 3.262 2.815 6.759 1.00 0.00 C ATOM 229 CG GLN A 13 4.677 3.283 7.135 1.00 0.00 C ATOM 230 CD GLN A 13 5.385 2.317 8.086 1.00 0.00 C ATOM 231 OE1 GLN A 13 5.794 1.223 7.722 1.00 0.00 O ATOM 232 NE2 GLN A 13 5.563 2.682 9.340 1.00 0.00 N ATOM 0 H GLN A 13 3.585 3.355 4.348 1.00 0.00 H new ATOM 0 HA GLN A 13 4.008 1.016 5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.680 3.678 6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.775 2.416 7.649 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.271 3.394 6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.618 4.267 7.600 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.228 3.591 9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.036 2.055 9.991 1.00 0.00 H new ATOM 241 N ALA A 14 0.892 1.461 4.872 1.00 0.00 N ATOM 242 CA ALA A 14 -0.354 0.724 4.689 1.00 0.00 C ATOM 243 C ALA A 14 -0.112 -0.543 3.858 1.00 0.00 C ATOM 244 O ALA A 14 -0.507 -1.614 4.293 1.00 0.00 O ATOM 245 CB ALA A 14 -1.386 1.656 4.041 1.00 0.00 C ATOM 0 H ALA A 14 0.937 2.336 4.350 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.743 0.394 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.323 1.118 3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.557 2.516 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.013 1.997 3.075 1.00 0.00 H new ATOM 251 N MET A 15 0.611 -0.469 2.732 1.00 0.00 N ATOM 252 CA MET A 15 1.013 -1.644 1.922 1.00 0.00 C ATOM 253 C MET A 15 1.759 -2.701 2.743 1.00 0.00 C ATOM 254 O MET A 15 1.479 -3.895 2.625 1.00 0.00 O ATOM 255 CB MET A 15 1.937 -1.187 0.778 1.00 0.00 C ATOM 256 CG MET A 15 1.189 -0.535 -0.383 1.00 0.00 C ATOM 257 SD MET A 15 -0.028 -1.608 -1.185 1.00 0.00 S ATOM 258 CE MET A 15 0.962 -3.087 -1.525 1.00 0.00 C ATOM 0 H MET A 15 0.941 0.416 2.347 1.00 0.00 H new ATOM 0 HA MET A 15 0.096 -2.093 1.541 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.668 -0.481 1.172 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.493 -2.047 0.405 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.683 0.358 -0.017 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.914 -0.208 -1.128 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.429 -3.728 -2.227 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.919 -2.793 -1.956 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.134 -3.631 -0.596 1.00 0.00 H new ATOM 268 N LYS A 16 2.690 -2.280 3.603 1.00 0.00 N ATOM 269 CA LYS A 16 3.459 -3.189 4.456 1.00 0.00 C ATOM 270 C LYS A 16 2.592 -3.818 5.549 1.00 0.00 C ATOM 271 O LYS A 16 2.706 -5.012 5.819 1.00 0.00 O ATOM 272 CB LYS A 16 4.627 -2.394 5.042 1.00 0.00 C ATOM 273 CG LYS A 16 5.705 -3.335 5.580 1.00 0.00 C ATOM 274 CD LYS A 16 6.942 -2.536 5.988 1.00 0.00 C ATOM 275 CE LYS A 16 8.035 -3.526 6.389 1.00 0.00 C ATOM 276 NZ LYS A 16 9.269 -2.831 6.840 1.00 0.00 N ATOM 0 H LYS A 16 2.932 -1.297 3.727 1.00 0.00 H new ATOM 0 HA LYS A 16 3.835 -4.025 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.053 -1.745 4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.268 -1.748 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.321 -3.889 6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.971 -4.069 4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.280 -1.910 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.708 -1.870 6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.667 -4.170 7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.270 -4.171 5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.987 -3.535 7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.634 -2.236 6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.050 -2.235 7.663 1.00 0.00 H new ATOM 290 N LEU A 17 1.665 -3.039 6.113 1.00 0.00 N ATOM 291 CA LEU A 17 0.616 -3.547 6.997 1.00 0.00 C ATOM 292 C LEU A 17 -0.321 -4.523 6.275 1.00 0.00 C ATOM 293 O LEU A 17 -0.677 -5.546 6.845 1.00 0.00 O ATOM 294 CB LEU A 17 -0.160 -2.362 7.606 1.00 0.00 C ATOM 295 CG LEU A 17 0.213 -2.105 9.076 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.385 -0.782 9.540 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.286 -3.208 10.015 1.00 0.00 C ATOM 0 H LEU A 17 1.622 -2.030 5.967 1.00 0.00 H new ATOM 0 HA LEU A 17 1.086 -4.114 7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.039 -1.463 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.230 -2.558 7.535 1.00 0.00 H new ATOM 0 HG LEU A 17 1.302 -2.083 9.119 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.117 -0.607 10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.004 0.029 8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.470 -0.821 9.446 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.006 -2.974 11.039 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.372 -3.274 9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.153 -4.162 9.722 1.00 0.00 H new ATOM 309 N TYR A 18 -0.665 -4.257 5.014 1.00 0.00 N ATOM 310 CA TYR A 18 -1.509 -5.093 4.164 1.00 0.00 C ATOM 311 C TYR A 18 -0.875 -6.457 3.853 1.00 0.00 C ATOM 312 O TYR A 18 -1.583 -7.463 3.859 1.00 0.00 O ATOM 313 CB TYR A 18 -1.893 -4.282 2.902 1.00 0.00 C ATOM 314 CG TYR A 18 -3.148 -3.441 3.092 1.00 0.00 C ATOM 315 CD1 TYR A 18 -4.325 -4.050 3.568 1.00 0.00 C ATOM 316 CD2 TYR A 18 -3.130 -2.050 2.875 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.435 -3.271 3.937 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.233 -1.258 3.252 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.376 -1.867 3.816 1.00 0.00 C ATOM 320 OH TYR A 18 -6.429 -1.109 4.221 1.00 0.00 O ATOM 0 H TYR A 18 -0.347 -3.413 4.537 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.423 -5.349 4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.063 -3.630 2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.045 -4.968 2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.375 -5.126 3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.267 -1.588 2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.330 -3.746 4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.204 -0.188 3.110 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.308 -0.857 5.160 1.00 0.00 H new ATOM 330 N ARG A 19 0.454 -6.530 3.686 1.00 0.00 N ATOM 331 CA ARG A 19 1.201 -7.800 3.571 1.00 0.00 C ATOM 332 C ARG A 19 1.097 -8.670 4.834 1.00 0.00 C ATOM 333 O ARG A 19 0.881 -9.876 4.732 1.00 0.00 O ATOM 334 CB ARG A 19 2.673 -7.506 3.225 1.00 0.00 C ATOM 335 CG ARG A 19 2.841 -6.984 1.786 1.00 0.00 C ATOM 336 CD ARG A 19 4.237 -6.402 1.528 1.00 0.00 C ATOM 337 NE ARG A 19 5.304 -7.421 1.618 1.00 0.00 N ATOM 338 CZ ARG A 19 6.606 -7.207 1.522 1.00 0.00 C ATOM 339 NH1 ARG A 19 7.104 -6.017 1.330 1.00 0.00 N ATOM 340 NH2 ARG A 19 7.446 -8.198 1.616 1.00 0.00 N ATOM 0 H ARG A 19 1.049 -5.704 3.626 1.00 0.00 H new ATOM 0 HA ARG A 19 0.745 -8.377 2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.069 -6.770 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.262 -8.414 3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.655 -7.797 1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.090 -6.218 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.259 -5.945 0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.435 -5.609 2.250 1.00 0.00 H new ATOM 0 HE ARG A 19 5.007 -8.385 1.769 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.484 -5.212 1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.114 -5.892 1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.101 -9.146 1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.449 -8.026 1.541 1.00 0.00 H new ATOM 354 N GLU A 20 1.202 -8.075 6.023 1.00 0.00 N ATOM 355 CA GLU A 20 1.107 -8.787 7.313 1.00 0.00 C ATOM 356 C GLU A 20 -0.333 -9.140 7.692 1.00 0.00 C ATOM 357 O GLU A 20 -0.628 -10.265 8.097 1.00 0.00 O ATOM 358 CB GLU A 20 1.715 -7.899 8.410 1.00 0.00 C ATOM 359 CG GLU A 20 2.320 -8.689 9.578 1.00 0.00 C ATOM 360 CD GLU A 20 3.637 -9.388 9.184 1.00 0.00 C ATOM 361 OE1 GLU A 20 4.716 -8.751 9.267 1.00 0.00 O ATOM 362 OE2 GLU A 20 3.605 -10.582 8.799 1.00 0.00 O ATOM 0 H GLU A 20 1.357 -7.072 6.126 1.00 0.00 H new ATOM 0 HA GLU A 20 1.652 -9.726 7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.488 -7.270 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.943 -7.232 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.504 -8.015 10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.603 -9.435 9.921 1.00 0.00 H new ATOM 369 N ALA A 21 -1.245 -8.193 7.494 1.00 0.00 N ATOM 370 CA ALA A 21 -2.684 -8.404 7.614 1.00 0.00 C ATOM 371 C ALA A 21 -3.172 -9.526 6.684 1.00 0.00 C ATOM 372 O ALA A 21 -4.048 -10.286 7.080 1.00 0.00 O ATOM 373 CB ALA A 21 -3.422 -7.088 7.352 1.00 0.00 C ATOM 0 H ALA A 21 -0.999 -7.236 7.240 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.905 -8.728 8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.496 -7.249 7.442 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.104 -6.342 8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.191 -6.735 6.347 1.00 0.00 H new ATOM 379 N SER A 22 -2.575 -9.700 5.498 1.00 0.00 N ATOM 380 CA SER A 22 -2.873 -10.833 4.609 1.00 0.00 C ATOM 381 C SER A 22 -2.493 -12.190 5.224 1.00 0.00 C ATOM 382 O SER A 22 -3.220 -13.168 5.039 1.00 0.00 O ATOM 383 CB SER A 22 -2.170 -10.651 3.260 1.00 0.00 C ATOM 384 OG SER A 22 -2.707 -11.545 2.301 1.00 0.00 O ATOM 0 H SER A 22 -1.872 -9.061 5.127 1.00 0.00 H new ATOM 0 HA SER A 22 -3.953 -10.841 4.462 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.289 -9.624 2.916 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.100 -10.828 3.373 1.00 0.00 H new ATOM 0 HG SER A 22 -2.296 -11.374 1.428 1.00 0.00 H new ATOM 390 N GLU A 23 -1.412 -12.267 6.016 1.00 0.00 N ATOM 391 CA GLU A 23 -1.095 -13.472 6.802 1.00 0.00 C ATOM 392 C GLU A 23 -2.109 -13.681 7.944 1.00 0.00 C ATOM 393 O GLU A 23 -2.616 -14.786 8.154 1.00 0.00 O ATOM 394 CB GLU A 23 0.330 -13.351 7.365 1.00 0.00 C ATOM 395 CG GLU A 23 0.942 -14.689 7.807 1.00 0.00 C ATOM 396 CD GLU A 23 1.276 -15.600 6.608 1.00 0.00 C ATOM 397 OE1 GLU A 23 2.367 -15.444 6.006 1.00 0.00 O ATOM 398 OE2 GLU A 23 0.459 -16.489 6.267 1.00 0.00 O ATOM 0 H GLU A 23 -0.741 -11.508 6.130 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.157 -14.341 6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.972 -12.902 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.317 -12.670 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.849 -14.500 8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.246 -15.204 8.470 1.00 0.00 H new ATOM 405 N LYS A 24 -2.452 -12.592 8.648 1.00 0.00 N ATOM 406 CA LYS A 24 -3.460 -12.554 9.728 1.00 0.00 C ATOM 407 C LYS A 24 -4.904 -12.832 9.265 1.00 0.00 C ATOM 408 O LYS A 24 -5.742 -13.219 10.080 1.00 0.00 O ATOM 409 CB LYS A 24 -3.364 -11.199 10.466 1.00 0.00 C ATOM 410 CG LYS A 24 -3.270 -11.348 11.993 1.00 0.00 C ATOM 411 CD LYS A 24 -1.915 -11.922 12.443 1.00 0.00 C ATOM 412 CE LYS A 24 -1.859 -12.025 13.972 1.00 0.00 C ATOM 413 NZ LYS A 24 -0.560 -12.582 14.435 1.00 0.00 N ATOM 0 H LYS A 24 -2.024 -11.682 8.479 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.224 -13.375 10.406 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.490 -10.657 10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.237 -10.595 10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.423 -10.375 12.461 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.072 -11.999 12.342 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.765 -12.907 12.000 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.106 -11.285 12.085 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.009 -11.038 14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.673 -12.658 14.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.557 -12.638 15.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.429 -13.534 14.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.215 -11.965 14.119 1.00 0.00 H new ATOM 427 N ALA A 25 -5.174 -12.691 7.967 1.00 0.00 N ATOM 428 CA ALA A 25 -6.485 -12.787 7.321 1.00 0.00 C ATOM 429 C ALA A 25 -6.491 -13.825 6.179 1.00 0.00 C ATOM 430 O ALA A 25 -7.124 -13.613 5.143 1.00 0.00 O ATOM 431 CB ALA A 25 -6.900 -11.390 6.829 1.00 0.00 C ATOM 0 H ALA A 25 -4.434 -12.494 7.293 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.215 -13.141 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.875 -11.449 6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.956 -10.707 7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.163 -11.022 6.115 1.00 0.00 H new ATOM 437 N ARG A 26 -5.767 -14.943 6.353 1.00 0.00 N ATOM 438 CA ARG A 26 -5.566 -16.021 5.364 1.00 0.00 C ATOM 439 C ARG A 26 -6.830 -16.600 4.704 1.00 0.00 C ATOM 440 O ARG A 26 -6.738 -17.180 3.623 1.00 0.00 O ATOM 441 CB ARG A 26 -4.721 -17.113 6.038 1.00 0.00 C ATOM 442 CG ARG A 26 -5.468 -17.849 7.169 1.00 0.00 C ATOM 443 CD ARG A 26 -4.495 -18.256 8.280 1.00 0.00 C ATOM 444 NE ARG A 26 -5.119 -19.194 9.236 1.00 0.00 N ATOM 445 CZ ARG A 26 -5.181 -20.513 9.145 1.00 0.00 C ATOM 446 NH1 ARG A 26 -4.662 -21.169 8.146 1.00 0.00 N ATOM 447 NH2 ARG A 26 -5.782 -21.209 10.068 1.00 0.00 N ATOM 0 H ARG A 26 -5.281 -15.131 7.230 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.055 -15.573 4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.409 -17.838 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.814 -16.663 6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.247 -17.205 7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.964 -18.734 6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.612 -18.719 7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.156 -17.366 8.811 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.552 -18.777 10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.187 -20.665 7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.731 -22.186 8.113 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.208 -20.738 10.866 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.827 -22.225 9.993 1.00 0.00 H new ATOM 461 N ASN A 27 -7.999 -16.445 5.327 1.00 0.00 N ATOM 462 CA ASN A 27 -9.304 -16.802 4.804 1.00 0.00 C ATOM 463 C ASN A 27 -9.638 -15.997 3.525 1.00 0.00 C ATOM 464 O ASN A 27 -9.543 -14.766 3.551 1.00 0.00 O ATOM 465 CB ASN A 27 -10.281 -16.472 5.942 1.00 0.00 C ATOM 466 CG ASN A 27 -10.125 -17.358 7.171 1.00 0.00 C ATOM 467 OD1 ASN A 27 -9.907 -18.558 7.088 1.00 0.00 O ATOM 468 ND2 ASN A 27 -10.212 -16.792 8.355 1.00 0.00 N ATOM 0 H ASN A 27 -8.056 -16.044 6.263 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.355 -17.850 4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.141 -15.432 6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -11.301 -16.563 5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.098 -17.354 9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.394 -15.791 8.430 1.00 0.00 H new ATOM 475 N PRO A 28 -10.084 -16.626 2.419 1.00 0.00 N ATOM 476 CA PRO A 28 -10.287 -15.938 1.136 1.00 0.00 C ATOM 477 C PRO A 28 -11.362 -14.839 1.178 1.00 0.00 C ATOM 478 O PRO A 28 -11.294 -13.877 0.412 1.00 0.00 O ATOM 479 CB PRO A 28 -10.609 -17.041 0.121 1.00 0.00 C ATOM 480 CG PRO A 28 -11.162 -18.180 0.977 1.00 0.00 C ATOM 481 CD PRO A 28 -10.389 -18.043 2.288 1.00 0.00 C ATOM 0 HA PRO A 28 -9.388 -15.387 0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.338 -16.705 -0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.720 -17.350 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.236 -18.082 1.132 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.995 -19.151 0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.983 -18.395 3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.477 -18.640 2.269 1.00 0.00 H new ATOM 489 N GLU A 29 -12.298 -14.928 2.127 1.00 0.00 N ATOM 490 CA GLU A 29 -13.339 -13.937 2.438 1.00 0.00 C ATOM 491 C GLU A 29 -12.789 -12.541 2.791 1.00 0.00 C ATOM 492 O GLU A 29 -13.471 -11.530 2.615 1.00 0.00 O ATOM 493 CB GLU A 29 -14.164 -14.498 3.611 1.00 0.00 C ATOM 494 CG GLU A 29 -15.684 -14.411 3.417 1.00 0.00 C ATOM 495 CD GLU A 29 -16.220 -12.968 3.411 1.00 0.00 C ATOM 496 OE1 GLU A 29 -16.072 -12.261 4.437 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.814 -12.540 2.393 1.00 0.00 O ATOM 0 H GLU A 29 -12.355 -15.743 2.738 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.945 -13.785 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.889 -15.541 3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.895 -13.959 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.951 -14.893 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.177 -14.970 4.213 1.00 0.00 H new ATOM 504 N LYS A 30 -11.538 -12.482 3.262 1.00 0.00 N ATOM 505 CA LYS A 30 -10.765 -11.249 3.467 1.00 0.00 C ATOM 506 C LYS A 30 -9.522 -11.164 2.585 1.00 0.00 C ATOM 507 O LYS A 30 -9.252 -10.082 2.061 1.00 0.00 O ATOM 508 CB LYS A 30 -10.423 -11.025 4.955 1.00 0.00 C ATOM 509 CG LYS A 30 -11.436 -10.117 5.673 1.00 0.00 C ATOM 510 CD LYS A 30 -12.752 -10.808 6.074 1.00 0.00 C ATOM 511 CE LYS A 30 -13.934 -9.827 6.005 1.00 0.00 C ATOM 512 NZ LYS A 30 -14.637 -9.910 4.699 1.00 0.00 N ATOM 0 H LYS A 30 -11.017 -13.320 3.520 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.416 -10.434 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.384 -11.989 5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.429 -10.584 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.967 -9.711 6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.669 -9.272 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.938 -11.654 5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.664 -11.206 7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.635 -10.044 6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.574 -8.810 6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.090 -8.998 4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.952 -10.136 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.362 -10.655 4.742 1.00 0.00 H new ATOM 526 N LYS A 31 -8.820 -12.274 2.324 1.00 0.00 N ATOM 527 CA LYS A 31 -7.640 -12.323 1.433 1.00 0.00 C ATOM 528 C LYS A 31 -7.905 -11.894 -0.018 1.00 0.00 C ATOM 529 O LYS A 31 -6.963 -11.521 -0.709 1.00 0.00 O ATOM 530 CB LYS A 31 -6.953 -13.698 1.536 1.00 0.00 C ATOM 531 CG LYS A 31 -5.533 -13.706 0.942 1.00 0.00 C ATOM 532 CD LYS A 31 -4.675 -14.830 1.541 1.00 0.00 C ATOM 533 CE LYS A 31 -3.361 -15.081 0.784 1.00 0.00 C ATOM 534 NZ LYS A 31 -2.515 -13.864 0.665 1.00 0.00 N ATOM 0 H LYS A 31 -9.055 -13.180 2.729 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.951 -11.560 1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.905 -13.996 2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.561 -14.441 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.591 -13.829 -0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.055 -12.744 1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.445 -14.585 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.258 -15.751 1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.796 -15.860 1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.589 -15.457 -0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.512 -14.137 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.737 -13.372 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.704 -13.230 1.468 1.00 0.00 H new ATOM 548 N SER A 32 -9.169 -11.842 -0.449 1.00 0.00 N ATOM 549 CA SER A 32 -9.585 -11.299 -1.759 1.00 0.00 C ATOM 550 C SER A 32 -10.301 -9.941 -1.672 1.00 0.00 C ATOM 551 O SER A 32 -10.825 -9.450 -2.673 1.00 0.00 O ATOM 552 CB SER A 32 -10.466 -12.312 -2.511 1.00 0.00 C ATOM 553 OG SER A 32 -9.871 -13.601 -2.549 1.00 0.00 O ATOM 0 H SER A 32 -9.952 -12.181 0.109 1.00 0.00 H new ATOM 0 HA SER A 32 -8.662 -11.125 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.441 -12.376 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.637 -11.960 -3.528 1.00 0.00 H new ATOM 0 HG SER A 32 -10.459 -14.218 -3.032 1.00 0.00 H new ATOM 559 N VAL A 33 -10.296 -9.304 -0.494 1.00 0.00 N ATOM 560 CA VAL A 33 -10.895 -7.981 -0.233 1.00 0.00 C ATOM 561 C VAL A 33 -9.813 -6.970 0.144 1.00 0.00 C ATOM 562 O VAL A 33 -9.750 -5.903 -0.471 1.00 0.00 O ATOM 563 CB VAL A 33 -11.987 -8.064 0.856 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.614 -6.695 1.156 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.118 -9.007 0.425 1.00 0.00 C ATOM 0 H VAL A 33 -9.860 -9.707 0.336 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.376 -7.640 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.491 -8.439 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.376 -6.805 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.841 -6.009 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.070 -6.297 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.875 -9.049 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.569 -8.637 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.715 -10.006 0.256 1.00 0.00 H new ATOM 575 N LEU A 34 -8.881 -7.313 1.048 1.00 0.00 N ATOM 576 CA LEU A 34 -7.722 -6.466 1.316 1.00 0.00 C ATOM 577 C LEU A 34 -6.723 -6.486 0.137 1.00 0.00 C ATOM 578 O LEU A 34 -5.928 -5.559 -0.016 1.00 0.00 O ATOM 579 CB LEU A 34 -7.159 -6.793 2.714 1.00 0.00 C ATOM 580 CG LEU A 34 -5.954 -7.731 2.734 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.332 -7.801 4.132 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.253 -9.167 2.329 1.00 0.00 C ATOM 0 H LEU A 34 -8.913 -8.170 1.601 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.006 -5.415 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.879 -5.859 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.954 -7.238 3.312 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.280 -7.295 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.476 -8.476 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.004 -6.807 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.072 -8.170 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.337 -9.756 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.991 -9.591 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.646 -9.184 1.312 1.00 0.00 H new ATOM 594 N GLN A 35 -6.800 -7.495 -0.746 1.00 0.00 N ATOM 595 CA GLN A 35 -6.006 -7.551 -1.973 1.00 0.00 C ATOM 596 C GLN A 35 -6.385 -6.439 -2.965 1.00 0.00 C ATOM 597 O GLN A 35 -5.512 -5.882 -3.628 1.00 0.00 O ATOM 598 CB GLN A 35 -6.162 -8.940 -2.608 1.00 0.00 C ATOM 599 CG GLN A 35 -5.359 -9.129 -3.906 1.00 0.00 C ATOM 600 CD GLN A 35 -5.521 -10.538 -4.480 1.00 0.00 C ATOM 601 OE1 GLN A 35 -6.619 -11.048 -4.663 1.00 0.00 O ATOM 602 NE2 GLN A 35 -4.442 -11.222 -4.802 1.00 0.00 N ATOM 0 H GLN A 35 -7.419 -8.296 -0.623 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.960 -7.383 -1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.850 -9.695 -1.887 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.217 -9.116 -2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.686 -8.397 -4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.304 -8.936 -3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.518 -10.815 -4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.531 -12.159 -5.196 1.00 0.00 H new ATOM 611 N LYS A 36 -7.671 -6.075 -3.069 1.00 0.00 N ATOM 612 CA LYS A 36 -8.107 -5.019 -3.997 1.00 0.00 C ATOM 613 C LYS A 36 -7.683 -3.624 -3.528 1.00 0.00 C ATOM 614 O LYS A 36 -7.315 -2.793 -4.356 1.00 0.00 O ATOM 615 CB LYS A 36 -9.618 -5.142 -4.257 1.00 0.00 C ATOM 616 CG LYS A 36 -9.998 -4.505 -5.604 1.00 0.00 C ATOM 617 CD LYS A 36 -11.436 -4.863 -6.012 1.00 0.00 C ATOM 618 CE LYS A 36 -11.738 -4.480 -7.469 1.00 0.00 C ATOM 619 NZ LYS A 36 -11.806 -3.009 -7.674 1.00 0.00 N ATOM 0 H LYS A 36 -8.425 -6.494 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.598 -5.160 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.907 -6.193 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.170 -4.656 -3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.897 -3.422 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.305 -4.842 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.594 -5.933 -5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.137 -4.353 -5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.968 -4.898 -8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.685 -4.929 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.012 -2.807 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.559 -2.610 -7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.895 -2.580 -7.415 1.00 0.00 H new ATOM 633 N ILE A 37 -7.611 -3.407 -2.209 1.00 0.00 N ATOM 634 CA ILE A 37 -6.900 -2.260 -1.624 1.00 0.00 C ATOM 635 C ILE A 37 -5.419 -2.356 -1.971 1.00 0.00 C ATOM 636 O ILE A 37 -4.923 -1.421 -2.577 1.00 0.00 O ATOM 637 CB ILE A 37 -7.068 -2.191 -0.087 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.528 -2.021 0.354 1.00 0.00 C ATOM 639 CG2 ILE A 37 -6.166 -1.085 0.490 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.773 -2.025 1.870 1.00 0.00 C ATOM 0 H ILE A 37 -8.043 -4.020 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.332 -1.351 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.753 -3.153 0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.904 -1.082 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.118 -2.821 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.290 -1.042 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.125 -1.303 0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.444 -0.125 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.838 -1.898 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.437 -2.973 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.219 -1.207 2.330 1.00 0.00 H new ATOM 652 N LEU A 38 -4.693 -3.433 -1.645 1.00 0.00 N ATOM 653 CA LEU A 38 -3.244 -3.447 -1.897 1.00 0.00 C ATOM 654 C LEU A 38 -2.880 -3.294 -3.394 1.00 0.00 C ATOM 655 O LEU A 38 -1.825 -2.755 -3.713 1.00 0.00 O ATOM 656 CB LEU A 38 -2.531 -4.557 -1.102 1.00 0.00 C ATOM 657 CG LEU A 38 -2.510 -5.929 -1.772 1.00 0.00 C ATOM 658 CD1 LEU A 38 -1.313 -6.146 -2.700 1.00 0.00 C ATOM 659 CD2 LEU A 38 -2.476 -7.038 -0.717 1.00 0.00 C ATOM 0 H LEU A 38 -5.068 -4.281 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.816 -2.535 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.503 -4.246 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.015 -4.653 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.420 -5.966 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.368 -7.143 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.328 -5.399 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.389 -6.051 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.461 -8.010 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.582 -6.929 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.361 -6.966 -0.085 1.00 0.00 H new ATOM 671 N GLU A 39 -3.771 -3.660 -4.324 1.00 0.00 N ATOM 672 CA GLU A 39 -3.592 -3.425 -5.765 1.00 0.00 C ATOM 673 C GLU A 39 -3.901 -1.979 -6.217 1.00 0.00 C ATOM 674 O GLU A 39 -3.175 -1.424 -7.044 1.00 0.00 O ATOM 675 CB GLU A 39 -4.432 -4.471 -6.521 1.00 0.00 C ATOM 676 CG GLU A 39 -4.068 -4.635 -8.004 1.00 0.00 C ATOM 677 CD GLU A 39 -5.106 -4.010 -8.955 1.00 0.00 C ATOM 678 OE1 GLU A 39 -6.250 -4.517 -9.039 1.00 0.00 O ATOM 679 OE2 GLU A 39 -4.755 -3.035 -9.661 1.00 0.00 O ATOM 0 H GLU A 39 -4.646 -4.133 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.535 -3.542 -6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.320 -5.435 -6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.484 -4.195 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.096 -4.177 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.968 -5.696 -8.232 1.00 0.00 H new ATOM 686 N ASP A 40 -4.907 -1.319 -5.635 1.00 0.00 N ATOM 687 CA ASP A 40 -5.135 0.128 -5.719 1.00 0.00 C ATOM 688 C ASP A 40 -3.978 0.926 -5.106 1.00 0.00 C ATOM 689 O ASP A 40 -3.553 1.957 -5.619 1.00 0.00 O ATOM 690 CB ASP A 40 -6.402 0.417 -4.893 1.00 0.00 C ATOM 691 CG ASP A 40 -7.747 0.296 -5.621 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.800 0.014 -6.843 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.768 0.518 -4.929 1.00 0.00 O ATOM 0 H ASP A 40 -5.611 -1.795 -5.071 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.227 0.421 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.415 -0.263 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.323 1.428 -4.492 1.00 0.00 H new ATOM 698 N GLU A 41 -3.472 0.444 -3.980 1.00 0.00 N ATOM 699 CA GLU A 41 -2.580 1.163 -3.086 1.00 0.00 C ATOM 700 C GLU A 41 -1.124 1.075 -3.576 1.00 0.00 C ATOM 701 O GLU A 41 -0.389 2.057 -3.513 1.00 0.00 O ATOM 702 CB GLU A 41 -2.832 0.569 -1.691 1.00 0.00 C ATOM 703 CG GLU A 41 -2.282 1.338 -0.505 1.00 0.00 C ATOM 704 CD GLU A 41 -3.073 2.628 -0.308 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.702 3.645 -0.938 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.120 2.663 0.398 1.00 0.00 O ATOM 0 H GLU A 41 -3.682 -0.499 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.773 2.235 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.909 0.464 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.409 -0.435 -1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.340 0.725 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.229 1.568 -0.667 1.00 0.00 H new ATOM 713 N GLU A 42 -0.741 -0.042 -4.199 1.00 0.00 N ATOM 714 CA GLU A 42 0.472 -0.165 -5.019 1.00 0.00 C ATOM 715 C GLU A 42 0.429 0.722 -6.277 1.00 0.00 C ATOM 716 O GLU A 42 1.470 1.240 -6.692 1.00 0.00 O ATOM 717 CB GLU A 42 0.682 -1.651 -5.362 1.00 0.00 C ATOM 718 CG GLU A 42 1.948 -1.970 -6.176 1.00 0.00 C ATOM 719 CD GLU A 42 1.803 -1.854 -7.714 1.00 0.00 C ATOM 720 OE1 GLU A 42 0.670 -1.779 -8.250 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.848 -1.908 -8.407 1.00 0.00 O ATOM 0 H GLU A 42 -1.277 -0.908 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 42 1.325 0.198 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.716 -2.219 -4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.186 -2.003 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.744 -1.300 -5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.267 -2.984 -5.935 1.00 0.00 H new ATOM 728 N LYS A 43 -0.758 0.974 -6.854 1.00 0.00 N ATOM 729 CA LYS A 43 -0.910 1.860 -8.024 1.00 0.00 C ATOM 730 C LYS A 43 -0.479 3.293 -7.715 1.00 0.00 C ATOM 731 O LYS A 43 0.186 3.928 -8.529 1.00 0.00 O ATOM 732 CB LYS A 43 -2.356 1.833 -8.555 1.00 0.00 C ATOM 733 CG LYS A 43 -2.434 2.058 -10.071 1.00 0.00 C ATOM 734 CD LYS A 43 -1.972 0.874 -10.941 1.00 0.00 C ATOM 735 CE LYS A 43 -2.933 -0.325 -10.901 1.00 0.00 C ATOM 736 NZ LYS A 43 -2.622 -1.295 -9.820 1.00 0.00 N ATOM 0 H LYS A 43 -1.636 0.572 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.249 1.478 -8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.811 0.873 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.940 2.601 -8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.464 2.298 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.830 2.929 -10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.865 1.210 -11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.986 0.551 -10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.952 0.040 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.900 -0.840 -11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.115 -2.192 -10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.596 -1.463 -9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.937 -0.910 -8.907 1.00 0.00 H new ATOM 750 N HIS A 44 -0.780 3.790 -6.513 1.00 0.00 N ATOM 751 CA HIS A 44 -0.358 5.085 -6.030 1.00 0.00 C ATOM 752 C HIS A 44 1.163 5.209 -5.957 1.00 0.00 C ATOM 753 O HIS A 44 1.697 6.262 -6.291 1.00 0.00 O ATOM 754 CB HIS A 44 -0.964 5.257 -4.637 1.00 0.00 C ATOM 755 CG HIS A 44 -2.465 5.171 -4.532 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.196 5.128 -3.331 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.326 5.121 -5.585 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.487 5.015 -3.724 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.582 4.997 -5.062 1.00 0.00 N ATOM 0 H HIS A 44 -1.343 3.277 -5.835 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.697 5.859 -6.719 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.534 4.498 -3.984 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.652 6.226 -4.248 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.835 5.172 -2.378 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.066 5.170 -6.632 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.328 4.948 -3.050 1.00 0.00 H new ATOM 767 N ILE A 45 1.861 4.138 -5.566 1.00 0.00 N ATOM 768 CA ILE A 45 3.326 4.104 -5.477 1.00 0.00 C ATOM 769 C ILE A 45 3.961 4.229 -6.870 1.00 0.00 C ATOM 770 O ILE A 45 4.949 4.946 -7.011 1.00 0.00 O ATOM 771 CB ILE A 45 3.781 2.846 -4.690 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.903 3.137 -3.177 1.00 0.00 C ATOM 773 CG2 ILE A 45 5.133 2.283 -5.158 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.583 3.425 -2.458 1.00 0.00 C ATOM 0 H ILE A 45 1.419 3.258 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 45 3.682 4.967 -4.914 1.00 0.00 H new ATOM 0 HB ILE A 45 3.004 2.107 -4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.380 2.283 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.566 3.991 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.387 1.405 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.066 2.002 -6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.906 3.042 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.778 3.616 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.109 4.300 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.921 2.565 -2.555 1.00 0.00 H new ATOM 786 N GLU A 46 3.385 3.626 -7.917 1.00 0.00 N ATOM 787 CA GLU A 46 3.856 3.806 -9.295 1.00 0.00 C ATOM 788 C GLU A 46 3.794 5.273 -9.740 1.00 0.00 C ATOM 789 O GLU A 46 4.740 5.786 -10.343 1.00 0.00 O ATOM 790 CB GLU A 46 3.017 2.950 -10.253 1.00 0.00 C ATOM 791 CG GLU A 46 3.185 1.438 -10.087 1.00 0.00 C ATOM 792 CD GLU A 46 4.553 0.954 -10.608 1.00 0.00 C ATOM 793 OE1 GLU A 46 5.537 0.925 -9.831 1.00 0.00 O ATOM 794 OE2 GLU A 46 4.659 0.614 -11.814 1.00 0.00 O ATOM 0 H GLU A 46 2.582 3.002 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 46 4.899 3.490 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.965 3.201 -10.114 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.276 3.219 -11.277 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.083 1.174 -9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.388 0.923 -10.624 1.00 0.00 H new ATOM 801 N TRP A 47 2.703 5.969 -9.411 1.00 0.00 N ATOM 802 CA TRP A 47 2.524 7.379 -9.734 1.00 0.00 C ATOM 803 C TRP A 47 3.446 8.270 -8.889 1.00 0.00 C ATOM 804 O TRP A 47 4.127 9.139 -9.422 1.00 0.00 O ATOM 805 CB TRP A 47 1.053 7.758 -9.507 1.00 0.00 C ATOM 806 CG TRP A 47 -0.027 6.891 -10.099 1.00 0.00 C ATOM 807 CD1 TRP A 47 0.081 6.060 -11.166 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.413 6.766 -9.644 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.120 5.401 -11.363 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.082 5.808 -10.461 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.176 7.369 -8.620 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.424 5.451 -10.257 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.533 7.043 -8.418 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.150 6.066 -9.221 1.00 0.00 C ATOM 0 H TRP A 47 1.914 5.562 -8.908 1.00 0.00 H new ATOM 0 HA TRP A 47 2.790 7.538 -10.779 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.887 7.800 -8.431 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.911 8.768 -9.891 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.968 5.932 -11.769 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.275 4.700 -12.087 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.708 8.098 -7.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.894 4.712 -10.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.099 7.544 -7.646 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.178 5.789 -9.042 1.00 0.00 H new ATOM 825 N LEU A 48 3.535 8.015 -7.582 1.00 0.00 N ATOM 826 CA LEU A 48 4.460 8.673 -6.655 1.00 0.00 C ATOM 827 C LEU A 48 5.921 8.572 -7.123 1.00 0.00 C ATOM 828 O LEU A 48 6.653 9.559 -7.080 1.00 0.00 O ATOM 829 CB LEU A 48 4.258 8.035 -5.269 1.00 0.00 C ATOM 830 CG LEU A 48 3.052 8.599 -4.503 1.00 0.00 C ATOM 831 CD1 LEU A 48 2.693 7.676 -3.338 1.00 0.00 C ATOM 832 CD2 LEU A 48 3.341 9.988 -3.925 1.00 0.00 C ATOM 0 H LEU A 48 2.945 7.321 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 48 4.244 9.741 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.131 6.959 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.159 8.186 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 48 2.230 8.670 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.837 8.084 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.443 6.687 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.543 7.598 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.462 10.350 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.184 9.928 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.583 10.676 -4.735 1.00 0.00 H new ATOM 844 N GLU A 49 6.326 7.414 -7.641 1.00 0.00 N ATOM 845 CA GLU A 49 7.643 7.216 -8.263 1.00 0.00 C ATOM 846 C GLU A 49 7.802 7.988 -9.578 1.00 0.00 C ATOM 847 O GLU A 49 8.828 8.634 -9.788 1.00 0.00 O ATOM 848 CB GLU A 49 7.893 5.725 -8.535 1.00 0.00 C ATOM 849 CG GLU A 49 9.396 5.414 -8.548 1.00 0.00 C ATOM 850 CD GLU A 49 9.673 3.929 -8.856 1.00 0.00 C ATOM 851 OE1 GLU A 49 9.608 3.533 -10.046 1.00 0.00 O ATOM 852 OE2 GLU A 49 9.995 3.154 -7.923 1.00 0.00 O ATOM 0 H GLU A 49 5.746 6.575 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 49 8.374 7.602 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.400 5.124 -7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.452 5.447 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.889 6.038 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.828 5.671 -7.581 1.00 0.00 H new ATOM 859 N THR A 50 6.792 7.961 -10.456 1.00 0.00 N ATOM 860 CA THR A 50 6.847 8.720 -11.725 1.00 0.00 C ATOM 861 C THR A 50 6.860 10.247 -11.518 1.00 0.00 C ATOM 862 O THR A 50 7.322 10.994 -12.384 1.00 0.00 O ATOM 863 CB THR A 50 5.766 8.247 -12.721 1.00 0.00 C ATOM 864 OG1 THR A 50 6.336 8.158 -14.011 1.00 0.00 O ATOM 865 CG2 THR A 50 4.513 9.118 -12.855 1.00 0.00 C ATOM 0 H THR A 50 5.932 7.429 -10.319 1.00 0.00 H new ATOM 0 HA THR A 50 7.810 8.493 -12.183 1.00 0.00 H new ATOM 0 HB THR A 50 5.432 7.297 -12.305 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.656 7.856 -14.649 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.837 8.673 -13.585 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.011 9.185 -11.890 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.798 10.117 -13.186 1.00 0.00 H new ATOM 873 N ILE A 51 6.409 10.710 -10.345 1.00 0.00 N ATOM 874 CA ILE A 51 6.371 12.123 -9.921 1.00 0.00 C ATOM 875 C ILE A 51 7.625 12.550 -9.129 1.00 0.00 C ATOM 876 O ILE A 51 7.953 13.738 -9.054 1.00 0.00 O ATOM 877 CB ILE A 51 5.034 12.378 -9.174 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.840 12.242 -10.151 1.00 0.00 C ATOM 879 CG2 ILE A 51 4.958 13.753 -8.491 1.00 0.00 C ATOM 880 CD1 ILE A 51 2.492 12.041 -9.449 1.00 0.00 C ATOM 0 H ILE A 51 6.042 10.083 -9.629 1.00 0.00 H new ATOM 0 HA ILE A 51 6.399 12.766 -10.801 1.00 0.00 H new ATOM 0 HB ILE A 51 4.986 11.623 -8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.787 13.136 -10.773 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.022 11.400 -10.818 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.995 13.858 -7.990 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.760 13.840 -7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.065 14.538 -9.240 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.702 11.954 -10.195 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.526 11.132 -8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.287 12.895 -8.803 1.00 0.00 H new ATOM 892 N ASN A 52 8.376 11.586 -8.601 1.00 0.00 N ATOM 893 CA ASN A 52 9.695 11.788 -7.983 1.00 0.00 C ATOM 894 C ASN A 52 10.775 12.175 -9.029 1.00 0.00 C ATOM 895 O ASN A 52 10.604 11.957 -10.233 1.00 0.00 O ATOM 896 CB ASN A 52 10.051 10.510 -7.192 1.00 0.00 C ATOM 897 CG ASN A 52 11.359 10.608 -6.424 1.00 0.00 C ATOM 898 OD1 ASN A 52 12.357 9.991 -6.766 1.00 0.00 O ATOM 899 ND2 ASN A 52 11.414 11.404 -5.379 1.00 0.00 N ATOM 0 H ASN A 52 8.079 10.610 -8.588 1.00 0.00 H new ATOM 0 HA ASN A 52 9.661 12.633 -7.296 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.245 10.291 -6.492 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.109 9.670 -7.884 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.286 11.504 -4.859 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.585 11.922 -5.088 1.00 0.00 H new ATOM 967 N LEU B 4 -7.232 -4.443 12.373 1.00 0.00 N ATOM 968 CA LEU B 4 -7.940 -3.799 11.253 1.00 0.00 C ATOM 969 C LEU B 4 -8.239 -2.309 11.484 1.00 0.00 C ATOM 970 O LEU B 4 -8.174 -1.509 10.550 1.00 0.00 O ATOM 971 CB LEU B 4 -9.179 -4.625 10.862 1.00 0.00 C ATOM 972 CG LEU B 4 -10.321 -4.636 11.895 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.374 -3.553 11.636 1.00 0.00 C ATOM 974 CD2 LEU B 4 -11.034 -5.989 11.892 1.00 0.00 C ATOM 0 HA LEU B 4 -7.264 -3.793 10.398 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.568 -4.240 9.920 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.866 -5.653 10.681 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.850 -4.440 12.858 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -12.152 -3.612 12.397 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -10.903 -2.571 11.675 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -11.817 -3.704 10.652 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -11.838 -5.978 12.628 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -11.450 -6.179 10.903 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.323 -6.776 12.143 1.00 0.00 H new ATOM 986 N ARG B 5 -8.493 -1.911 12.735 1.00 0.00 N ATOM 987 CA ARG B 5 -8.637 -0.496 13.137 1.00 0.00 C ATOM 988 C ARG B 5 -7.314 0.271 13.012 1.00 0.00 C ATOM 989 O ARG B 5 -7.303 1.465 12.723 1.00 0.00 O ATOM 990 CB ARG B 5 -9.217 -0.460 14.564 1.00 0.00 C ATOM 991 CG ARG B 5 -9.865 0.886 14.922 1.00 0.00 C ATOM 992 CD ARG B 5 -10.551 0.786 16.291 1.00 0.00 C ATOM 993 NE ARG B 5 -11.287 2.020 16.632 1.00 0.00 N ATOM 994 CZ ARG B 5 -12.065 2.203 17.686 1.00 0.00 C ATOM 995 NH1 ARG B 5 -12.242 1.278 18.588 1.00 0.00 N ATOM 996 NH2 ARG B 5 -12.689 3.333 17.857 1.00 0.00 N ATOM 0 H ARG B 5 -8.607 -2.564 13.510 1.00 0.00 H new ATOM 0 HA ARG B 5 -9.324 0.015 12.463 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -9.959 -1.252 14.667 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -8.421 -0.674 15.278 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -9.108 1.670 14.941 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -10.593 1.163 14.160 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -11.240 -0.059 16.291 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -9.803 0.587 17.058 1.00 0.00 H new ATOM 0 HE ARG B 5 -11.186 2.808 15.992 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -11.773 0.377 18.494 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -12.850 1.455 19.388 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -12.580 4.084 17.176 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -13.287 3.467 18.672 1.00 0.00 H new ATOM 1010 N GLU B 6 -6.195 -0.438 13.168 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.831 0.067 12.956 1.00 0.00 C ATOM 1012 C GLU B 6 -4.565 0.450 11.484 1.00 0.00 C ATOM 1013 O GLU B 6 -3.985 1.504 11.212 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.848 -1.020 13.433 1.00 0.00 C ATOM 1015 CG GLU B 6 -2.400 -0.516 13.495 1.00 0.00 C ATOM 1016 CD GLU B 6 -1.493 -1.532 14.215 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -1.005 -2.489 13.566 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -1.256 -1.377 15.439 1.00 0.00 O ATOM 0 H GLU B 6 -6.211 -1.416 13.456 1.00 0.00 H new ATOM 0 HA GLU B 6 -4.696 0.985 13.528 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -4.150 -1.371 14.420 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.903 -1.876 12.760 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -2.028 -0.342 12.485 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -2.366 0.441 14.016 1.00 0.00 H new ATOM 1025 N LEU B 7 -5.036 -0.377 10.538 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.920 -0.148 9.084 1.00 0.00 C ATOM 1027 C LEU B 7 -5.584 1.173 8.667 1.00 0.00 C ATOM 1028 O LEU B 7 -4.939 2.046 8.093 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.572 -1.308 8.289 1.00 0.00 C ATOM 1030 CG LEU B 7 -4.916 -2.689 8.414 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -5.755 -3.741 7.685 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -3.515 -2.713 7.818 1.00 0.00 C ATOM 0 H LEU B 7 -5.520 -1.245 10.765 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.856 -0.098 8.855 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.611 -1.396 8.607 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.584 -1.032 7.235 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.853 -2.910 9.479 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.279 -4.717 7.781 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -6.752 -3.779 8.124 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -5.833 -3.477 6.630 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.089 -3.710 7.929 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -3.565 -2.456 6.760 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.886 -1.990 8.338 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.869 1.309 9.004 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.767 2.435 8.703 1.00 0.00 C ATOM 1046 C TYR B 8 -7.164 3.785 9.093 1.00 0.00 C ATOM 1047 O TYR B 8 -7.179 4.734 8.309 1.00 0.00 O ATOM 1048 CB TYR B 8 -9.038 2.167 9.551 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.380 2.753 9.137 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.496 3.832 8.234 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.543 2.213 9.726 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.765 4.371 7.945 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.814 2.746 9.429 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.925 3.836 8.541 1.00 0.00 C ATOM 1055 OH TYR B 8 -14.136 4.395 8.274 1.00 0.00 O ATOM 0 H TYR B 8 -7.348 0.582 9.535 1.00 0.00 H new ATOM 0 HA TYR B 8 -7.964 2.494 7.633 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -9.163 1.086 9.610 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.831 2.519 10.561 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.614 4.243 7.766 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.459 1.383 10.411 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -11.850 5.202 7.260 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.699 2.321 9.880 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.835 3.910 8.761 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.600 3.863 10.299 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.993 5.091 10.827 1.00 0.00 C ATOM 1067 C LYS B 9 -4.784 5.570 10.030 1.00 0.00 C ATOM 1068 O LYS B 9 -4.723 6.748 9.684 1.00 0.00 O ATOM 1069 CB LYS B 9 -5.693 4.907 12.326 1.00 0.00 C ATOM 1070 CG LYS B 9 -6.986 5.056 13.148 1.00 0.00 C ATOM 1071 CD LYS B 9 -6.759 4.992 14.665 1.00 0.00 C ATOM 1072 CE LYS B 9 -6.319 3.597 15.130 1.00 0.00 C ATOM 1073 NZ LYS B 9 -6.176 3.540 16.610 1.00 0.00 N ATOM 0 H LYS B 9 -6.550 3.073 10.942 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.716 5.899 10.712 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -5.255 3.924 12.499 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -4.959 5.645 12.651 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -7.458 6.007 12.899 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -7.683 4.269 12.860 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -6.001 5.723 14.948 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -7.678 5.271 15.180 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -7.049 2.856 14.804 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -5.370 3.337 14.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -5.878 2.585 16.893 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -5.462 4.231 16.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -7.088 3.764 17.056 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.869 4.681 9.654 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.767 4.998 8.750 1.00 0.00 C ATOM 1089 C LEU B 10 -3.250 5.320 7.323 1.00 0.00 C ATOM 1090 O LEU B 10 -2.774 6.273 6.706 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.721 3.870 8.796 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.834 3.980 10.053 1.00 0.00 C ATOM 1093 CD1 LEU B 10 -0.112 2.665 10.327 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.232 5.070 9.899 1.00 0.00 C ATOM 0 H LEU B 10 -3.871 3.711 9.971 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.286 5.914 9.093 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.225 2.903 8.787 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.097 3.913 7.903 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.501 4.229 10.879 1.00 0.00 H new ATOM 0 HD11 LEU B 10 0.507 2.769 11.218 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.845 1.873 10.484 1.00 0.00 H new ATOM 0 HD13 LEU B 10 0.519 2.412 9.475 1.00 0.00 H new ATOM 0 HD21 LEU B 10 0.837 5.118 10.804 1.00 0.00 H new ATOM 0 HD22 LEU B 10 0.871 4.836 9.047 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -0.253 6.033 9.736 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.266 4.600 6.840 1.00 0.00 N ATOM 1107 CA GLU B 11 -5.028 4.910 5.620 1.00 0.00 C ATOM 1108 C GLU B 11 -5.661 6.323 5.641 1.00 0.00 C ATOM 1109 O GLU B 11 -5.762 6.945 4.581 1.00 0.00 O ATOM 1110 CB GLU B 11 -6.041 3.756 5.375 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.560 2.700 4.352 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.693 3.040 2.852 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -5.111 3.933 2.211 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.234 2.318 1.996 1.00 0.00 O ATOM 0 H GLU B 11 -4.595 3.753 7.303 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.352 4.960 4.766 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.247 3.260 6.324 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -6.982 4.181 5.027 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.510 2.489 4.556 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.112 1.778 4.537 1.00 0.00 H new ATOM 1121 N GLN B 12 -5.990 6.899 6.812 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.483 8.277 6.941 1.00 0.00 C ATOM 1123 C GLN B 12 -5.424 9.340 7.277 1.00 0.00 C ATOM 1124 O GLN B 12 -5.618 10.516 6.969 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.626 8.289 7.956 1.00 0.00 C ATOM 1126 CG GLN B 12 -8.857 7.624 7.332 1.00 0.00 C ATOM 1127 CD GLN B 12 -10.074 7.641 8.257 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -10.001 7.367 9.448 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.244 7.980 7.755 1.00 0.00 N ATOM 0 H GLN B 12 -5.919 6.411 7.705 1.00 0.00 H new ATOM 0 HA GLN B 12 -6.828 8.575 5.951 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.331 7.759 8.861 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -7.859 9.313 8.248 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.107 8.134 6.401 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.616 6.592 7.076 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.326 8.212 6.765 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -12.067 8.010 8.356 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.272 8.959 7.821 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.128 9.873 7.980 1.00 0.00 C ATOM 1140 C GLN B 13 -2.528 10.288 6.636 1.00 0.00 C ATOM 1141 O GLN B 13 -2.149 11.450 6.483 1.00 0.00 O ATOM 1142 CB GLN B 13 -2.041 9.250 8.871 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.420 9.284 10.359 1.00 0.00 C ATOM 1144 CD GLN B 13 -1.358 8.646 11.258 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -0.168 8.624 10.969 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -1.742 8.102 12.394 1.00 0.00 N ATOM 0 H GLN B 13 -4.098 8.015 8.165 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.512 10.771 8.465 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -1.870 8.218 8.565 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.103 9.785 8.725 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -2.575 10.318 10.666 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -3.368 8.764 10.499 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -2.728 8.109 12.655 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -1.053 7.674 13.013 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.521 9.399 5.634 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.187 9.793 4.269 1.00 0.00 C ATOM 1157 C ALA B 14 -3.224 10.796 3.739 1.00 0.00 C ATOM 1158 O ALA B 14 -2.852 11.811 3.163 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.097 8.533 3.397 1.00 0.00 C ATOM 0 H ALA B 14 -2.742 8.410 5.747 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.220 10.295 4.243 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.848 8.815 2.374 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.324 7.873 3.790 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.056 8.014 3.407 1.00 0.00 H new ATOM 1165 N MET B 15 -4.516 10.566 4.002 1.00 0.00 N ATOM 1166 CA MET B 15 -5.616 11.426 3.530 1.00 0.00 C ATOM 1167 C MET B 15 -5.543 12.853 4.091 1.00 0.00 C ATOM 1168 O MET B 15 -5.725 13.819 3.347 1.00 0.00 O ATOM 1169 CB MET B 15 -6.961 10.771 3.884 1.00 0.00 C ATOM 1170 CG MET B 15 -8.172 11.580 3.392 1.00 0.00 C ATOM 1171 SD MET B 15 -9.463 10.587 2.604 1.00 0.00 S ATOM 1172 CE MET B 15 -8.522 10.154 1.121 1.00 0.00 C ATOM 0 H MET B 15 -4.834 9.770 4.554 1.00 0.00 H new ATOM 0 HA MET B 15 -5.520 11.520 2.448 1.00 0.00 H new ATOM 0 HB2 MET B 15 -6.998 9.772 3.449 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.027 10.651 4.965 1.00 0.00 H new ATOM 0 HG2 MET B 15 -8.606 12.113 4.238 1.00 0.00 H new ATOM 0 HG3 MET B 15 -7.827 12.333 2.684 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.208 9.848 0.331 1.00 0.00 H new ATOM 0 HE2 MET B 15 -7.949 11.019 0.788 1.00 0.00 H new ATOM 0 HE3 MET B 15 -7.841 9.334 1.349 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.225 13.009 5.380 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.009 14.328 5.991 1.00 0.00 C ATOM 1184 C LYS B 16 -3.782 15.039 5.422 1.00 0.00 C ATOM 1185 O LYS B 16 -3.860 16.231 5.118 1.00 0.00 O ATOM 1186 CB LYS B 16 -4.925 14.182 7.510 1.00 0.00 C ATOM 1187 CG LYS B 16 -6.331 13.925 8.070 1.00 0.00 C ATOM 1188 CD LYS B 16 -6.327 13.849 9.596 1.00 0.00 C ATOM 1189 CE LYS B 16 -7.772 13.701 10.084 1.00 0.00 C ATOM 1190 NZ LYS B 16 -7.849 13.622 11.566 1.00 0.00 N ATOM 0 H LYS B 16 -5.110 12.230 6.028 1.00 0.00 H new ATOM 0 HA LYS B 16 -5.862 14.961 5.744 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -4.260 13.359 7.772 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.504 15.085 7.952 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -7.002 14.721 7.747 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -6.721 12.993 7.660 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -5.727 13.003 9.931 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -5.876 14.747 10.018 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -8.362 14.548 9.734 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -8.212 12.804 9.649 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -8.842 13.522 11.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -7.307 12.799 11.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -7.452 14.489 11.981 1.00 0.00 H new ATOM 1204 N LEU B 17 -2.691 14.303 5.185 1.00 0.00 N ATOM 1205 CA LEU B 17 -1.547 14.806 4.410 1.00 0.00 C ATOM 1206 C LEU B 17 -1.956 15.278 3.001 1.00 0.00 C ATOM 1207 O LEU B 17 -1.575 16.364 2.574 1.00 0.00 O ATOM 1208 CB LEU B 17 -0.454 13.717 4.342 1.00 0.00 C ATOM 1209 CG LEU B 17 0.848 14.132 5.042 1.00 0.00 C ATOM 1210 CD1 LEU B 17 1.827 12.962 5.026 1.00 0.00 C ATOM 1211 CD2 LEU B 17 1.535 15.331 4.380 1.00 0.00 C ATOM 0 H LEU B 17 -2.574 13.347 5.522 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.150 15.683 4.921 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.831 12.802 4.800 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.242 13.487 3.298 1.00 0.00 H new ATOM 0 HG LEU B 17 0.574 14.420 6.057 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.752 13.255 5.523 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.388 12.113 5.549 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.042 12.681 3.995 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.449 15.573 4.923 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.781 15.085 3.347 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.864 16.190 4.398 1.00 0.00 H new ATOM 1223 N TYR B 18 -2.780 14.490 2.308 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.276 14.745 0.951 1.00 0.00 C ATOM 1225 C TYR B 18 -4.146 16.001 0.836 1.00 0.00 C ATOM 1226 O TYR B 18 -4.006 16.756 -0.130 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.048 13.513 0.450 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.230 12.611 -0.446 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -2.848 13.055 -1.721 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -2.815 11.350 0.007 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -2.056 12.246 -2.551 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -1.931 10.579 -0.763 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.554 11.021 -2.057 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.701 10.287 -2.822 1.00 0.00 O ATOM 0 H TYR B 18 -3.137 13.616 2.694 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.403 14.930 0.326 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -4.397 12.939 1.308 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -4.933 13.845 -0.093 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.166 14.027 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.177 10.971 0.951 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.832 12.558 -3.560 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.539 9.652 -0.372 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.446 9.473 -2.339 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.013 16.264 1.824 1.00 0.00 N ATOM 1245 CA ARG B 19 -5.844 17.479 1.863 1.00 0.00 C ATOM 1246 C ARG B 19 -4.991 18.754 1.867 1.00 0.00 C ATOM 1247 O ARG B 19 -5.337 19.728 1.203 1.00 0.00 O ATOM 1248 CB ARG B 19 -6.819 17.388 3.055 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.001 18.370 2.956 1.00 0.00 C ATOM 1250 CD ARG B 19 -7.737 19.741 3.596 1.00 0.00 C ATOM 1251 NE ARG B 19 -8.745 20.728 3.154 1.00 0.00 N ATOM 1252 CZ ARG B 19 -9.348 21.657 3.875 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -9.138 21.804 5.153 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -10.193 22.472 3.310 1.00 0.00 N ATOM 0 H ARG B 19 -5.159 15.642 2.619 1.00 0.00 H new ATOM 0 HA ARG B 19 -6.438 17.543 0.952 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -7.206 16.371 3.121 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -6.272 17.582 3.978 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -8.251 18.515 1.905 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -8.872 17.921 3.433 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -7.761 19.651 4.682 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -6.739 20.087 3.326 1.00 0.00 H new ATOM 0 HE ARG B 19 -9.008 20.687 2.169 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -8.485 21.187 5.637 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -9.626 22.536 5.669 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -10.389 22.393 2.312 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -10.659 23.189 3.866 1.00 0.00 H new ATOM 1268 N GLU B 20 -3.849 18.731 2.554 1.00 0.00 N ATOM 1269 CA GLU B 20 -2.889 19.843 2.595 1.00 0.00 C ATOM 1270 C GLU B 20 -1.932 19.860 1.399 1.00 0.00 C ATOM 1271 O GLU B 20 -1.578 20.922 0.890 1.00 0.00 O ATOM 1272 CB GLU B 20 -2.075 19.740 3.891 1.00 0.00 C ATOM 1273 CG GLU B 20 -1.832 21.119 4.512 1.00 0.00 C ATOM 1274 CD GLU B 20 -1.075 21.003 5.849 1.00 0.00 C ATOM 1275 OE1 GLU B 20 0.180 20.983 5.842 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -1.729 20.941 6.920 1.00 0.00 O ATOM 0 H GLU B 20 -3.556 17.927 3.109 1.00 0.00 H new ATOM 0 HA GLU B 20 -3.462 20.770 2.554 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -2.603 19.107 4.604 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.119 19.259 3.684 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.260 21.737 3.820 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -2.786 21.621 4.674 1.00 0.00 H new ATOM 1283 N ALA B 21 -1.555 18.682 0.904 1.00 0.00 N ATOM 1284 CA ALA B 21 -0.810 18.529 -0.349 1.00 0.00 C ATOM 1285 C ALA B 21 -1.541 19.165 -1.550 1.00 0.00 C ATOM 1286 O ALA B 21 -0.901 19.754 -2.419 1.00 0.00 O ATOM 1287 CB ALA B 21 -0.519 17.048 -0.593 1.00 0.00 C ATOM 0 H ALA B 21 -1.760 17.796 1.366 1.00 0.00 H new ATOM 0 HA ALA B 21 0.133 19.067 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA B 21 0.035 16.935 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA B 21 0.074 16.653 0.232 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.458 16.499 -0.660 1.00 0.00 H new ATOM 1293 N SER B 22 -2.879 19.134 -1.562 1.00 0.00 N ATOM 1294 CA SER B 22 -3.709 19.898 -2.511 1.00 0.00 C ATOM 1295 C SER B 22 -3.474 21.420 -2.442 1.00 0.00 C ATOM 1296 O SER B 22 -3.544 22.110 -3.462 1.00 0.00 O ATOM 1297 CB SER B 22 -5.192 19.591 -2.262 1.00 0.00 C ATOM 1298 OG SER B 22 -5.977 19.927 -3.395 1.00 0.00 O ATOM 0 H SER B 22 -3.425 18.573 -0.908 1.00 0.00 H new ATOM 0 HA SER B 22 -3.414 19.582 -3.512 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.314 18.533 -2.031 1.00 0.00 H new ATOM 0 HB3 SER B 22 -5.542 20.149 -1.394 1.00 0.00 H new ATOM 0 HG SER B 22 -6.918 19.721 -3.214 1.00 0.00 H new ATOM 1304 N GLU B 23 -3.153 21.963 -1.264 1.00 0.00 N ATOM 1305 CA GLU B 23 -2.808 23.382 -1.069 1.00 0.00 C ATOM 1306 C GLU B 23 -1.357 23.688 -1.469 1.00 0.00 C ATOM 1307 O GLU B 23 -1.086 24.734 -2.062 1.00 0.00 O ATOM 1308 CB GLU B 23 -3.026 23.768 0.401 1.00 0.00 C ATOM 1309 CG GLU B 23 -3.308 25.267 0.558 1.00 0.00 C ATOM 1310 CD GLU B 23 -3.540 25.638 2.035 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -4.704 25.590 2.503 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -2.562 25.997 2.737 1.00 0.00 O ATOM 0 H GLU B 23 -3.124 21.422 -0.400 1.00 0.00 H new ATOM 0 HA GLU B 23 -3.460 23.969 -1.716 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -3.860 23.196 0.807 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -2.143 23.501 0.982 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.469 25.841 0.163 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -4.185 25.538 -0.030 1.00 0.00 H new ATOM 1319 N LYS B 24 -0.428 22.760 -1.199 1.00 0.00 N ATOM 1320 CA LYS B 24 0.952 22.812 -1.729 1.00 0.00 C ATOM 1321 C LYS B 24 0.993 22.772 -3.263 1.00 0.00 C ATOM 1322 O LYS B 24 1.804 23.474 -3.869 1.00 0.00 O ATOM 1323 CB LYS B 24 1.818 21.680 -1.154 1.00 0.00 C ATOM 1324 CG LYS B 24 2.187 21.907 0.319 1.00 0.00 C ATOM 1325 CD LYS B 24 3.141 20.801 0.799 1.00 0.00 C ATOM 1326 CE LYS B 24 3.682 21.054 2.214 1.00 0.00 C ATOM 1327 NZ LYS B 24 4.704 22.135 2.242 1.00 0.00 N ATOM 0 H LYS B 24 -0.607 21.949 -0.607 1.00 0.00 H new ATOM 0 HA LYS B 24 1.363 23.769 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS B 24 1.283 20.735 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS B 24 2.731 21.591 -1.743 1.00 0.00 H new ATOM 0 HG2 LYS B 24 2.659 22.882 0.438 1.00 0.00 H new ATOM 0 HG3 LYS B 24 1.285 21.912 0.932 1.00 0.00 H new ATOM 0 HD2 LYS B 24 2.619 19.844 0.780 1.00 0.00 H new ATOM 0 HD3 LYS B 24 3.977 20.722 0.104 1.00 0.00 H new ATOM 0 HE2 LYS B 24 2.856 21.320 2.874 1.00 0.00 H new ATOM 0 HE3 LYS B 24 4.118 20.134 2.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 5.040 22.270 3.217 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 5.505 21.871 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 4.282 23.020 1.895 1.00 0.00 H new ATOM 1341 N ALA B 25 0.110 21.990 -3.886 1.00 0.00 N ATOM 1342 CA ALA B 25 -0.117 21.976 -5.328 1.00 0.00 C ATOM 1343 C ALA B 25 -0.674 23.317 -5.834 1.00 0.00 C ATOM 1344 O ALA B 25 -0.004 24.015 -6.598 1.00 0.00 O ATOM 1345 CB ALA B 25 -1.058 20.809 -5.666 1.00 0.00 C ATOM 0 H ALA B 25 -0.484 21.330 -3.384 1.00 0.00 H new ATOM 0 HA ALA B 25 0.836 21.834 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -1.237 20.786 -6.741 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.600 19.870 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -2.005 20.942 -5.143 1.00 0.00 H new ATOM 1351 N ARG B 26 -1.904 23.662 -5.418 1.00 0.00 N ATOM 1352 CA ARG B 26 -2.723 24.794 -5.909 1.00 0.00 C ATOM 1353 C ARG B 26 -2.726 24.979 -7.446 1.00 0.00 C ATOM 1354 O ARG B 26 -2.942 26.083 -7.947 1.00 0.00 O ATOM 1355 CB ARG B 26 -2.329 26.072 -5.134 1.00 0.00 C ATOM 1356 CG ARG B 26 -3.518 26.976 -4.774 1.00 0.00 C ATOM 1357 CD ARG B 26 -4.349 26.382 -3.625 1.00 0.00 C ATOM 1358 NE ARG B 26 -5.440 27.288 -3.212 1.00 0.00 N ATOM 1359 CZ ARG B 26 -6.667 27.352 -3.701 1.00 0.00 C ATOM 1360 NH1 ARG B 26 -7.070 26.590 -4.680 1.00 0.00 N ATOM 1361 NH2 ARG B 26 -7.526 28.196 -3.209 1.00 0.00 N ATOM 0 H ARG B 26 -2.384 23.132 -4.690 1.00 0.00 H new ATOM 0 HA ARG B 26 -3.767 24.558 -5.702 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -1.814 25.784 -4.217 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -1.620 26.643 -5.733 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -3.153 27.963 -4.488 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -4.152 27.112 -5.650 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -4.769 25.426 -3.937 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -3.700 26.182 -2.772 1.00 0.00 H new ATOM 0 HE ARG B 26 -5.221 27.942 -2.460 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -6.430 25.914 -5.097 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -8.025 26.670 -5.029 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -7.254 28.812 -2.443 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -8.471 28.242 -3.589 1.00 0.00 H new ATOM 1375 N ASN B 27 -2.484 23.896 -8.189 1.00 0.00 N ATOM 1376 CA ASN B 27 -2.253 23.868 -9.637 1.00 0.00 C ATOM 1377 C ASN B 27 -3.099 22.748 -10.283 1.00 0.00 C ATOM 1378 O ASN B 27 -3.156 21.647 -9.723 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.739 23.655 -9.850 1.00 0.00 C ATOM 1380 CG ASN B 27 -0.352 23.493 -11.309 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -0.622 22.477 -11.931 1.00 0.00 O ATOM 1382 ND2 ASN B 27 0.271 24.479 -11.909 1.00 0.00 N ATOM 0 H ASN B 27 -2.442 22.965 -7.775 1.00 0.00 H new ATOM 0 HA ASN B 27 -2.558 24.800 -10.113 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -0.198 24.503 -9.430 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -0.423 22.770 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN B 27 0.529 24.396 -12.892 1.00 0.00 H new ATOM 0 HD22 ASN B 27 0.498 25.329 -11.392 1.00 0.00 H new ATOM 1389 N PRO B 28 -3.739 22.983 -11.447 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.714 22.052 -12.021 1.00 0.00 C ATOM 1391 C PRO B 28 -4.109 20.718 -12.484 1.00 0.00 C ATOM 1392 O PRO B 28 -4.816 19.711 -12.520 1.00 0.00 O ATOM 1393 CB PRO B 28 -5.377 22.807 -13.178 1.00 0.00 C ATOM 1394 CG PRO B 28 -4.321 23.825 -13.597 1.00 0.00 C ATOM 1395 CD PRO B 28 -3.647 24.179 -12.273 1.00 0.00 C ATOM 0 HA PRO B 28 -5.433 21.754 -11.258 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.635 22.137 -13.998 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.300 23.294 -12.862 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.613 23.403 -14.311 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -4.768 24.700 -14.070 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.607 24.467 -12.429 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.144 25.023 -11.795 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.812 20.680 -12.806 1.00 0.00 N ATOM 1404 CA GLU B 29 -2.133 19.465 -13.277 1.00 0.00 C ATOM 1405 C GLU B 29 -2.053 18.422 -12.158 1.00 0.00 C ATOM 1406 O GLU B 29 -2.539 17.299 -12.300 1.00 0.00 O ATOM 1407 CB GLU B 29 -0.751 19.841 -13.841 1.00 0.00 C ATOM 1408 CG GLU B 29 -0.168 18.822 -14.834 1.00 0.00 C ATOM 1409 CD GLU B 29 0.320 17.509 -14.186 1.00 0.00 C ATOM 1410 OE1 GLU B 29 1.053 17.561 -13.170 1.00 0.00 O ATOM 1411 OE2 GLU B 29 0.011 16.420 -14.729 1.00 0.00 O ATOM 0 H GLU B 29 -2.200 21.494 -12.748 1.00 0.00 H new ATOM 0 HA GLU B 29 -2.707 19.006 -14.082 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -0.826 20.809 -14.336 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.054 19.960 -13.011 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.926 18.585 -15.580 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.666 19.284 -15.363 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.540 18.846 -11.000 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.524 18.055 -9.762 1.00 0.00 C ATOM 1420 C LYS B 30 -2.927 17.830 -9.200 1.00 0.00 C ATOM 1421 O LYS B 30 -3.240 16.697 -8.832 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.602 18.686 -8.706 1.00 0.00 C ATOM 1423 CG LYS B 30 0.897 18.474 -8.985 1.00 0.00 C ATOM 1424 CD LYS B 30 1.561 19.650 -9.717 1.00 0.00 C ATOM 1425 CE LYS B 30 3.049 19.337 -9.922 1.00 0.00 C ATOM 1426 NZ LYS B 30 3.791 20.503 -10.469 1.00 0.00 N ATOM 0 H LYS B 30 -1.115 19.767 -10.892 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.122 17.076 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.805 19.756 -8.653 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.843 18.267 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.414 18.308 -8.040 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.022 17.570 -9.580 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.076 19.817 -10.679 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.446 20.567 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.491 19.039 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.152 18.491 -10.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 4.792 20.250 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.386 20.772 -11.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 3.715 21.303 -9.809 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.797 18.852 -9.189 1.00 0.00 N ATOM 1441 CA LYS B 31 -5.191 18.741 -8.712 1.00 0.00 C ATOM 1442 C LYS B 31 -5.997 17.645 -9.413 1.00 0.00 C ATOM 1443 O LYS B 31 -6.808 16.980 -8.777 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.872 20.120 -8.757 1.00 0.00 C ATOM 1445 CG LYS B 31 -7.276 20.162 -8.128 1.00 0.00 C ATOM 1446 CD LYS B 31 -8.397 19.959 -9.164 1.00 0.00 C ATOM 1447 CE LYS B 31 -9.780 19.794 -8.515 1.00 0.00 C ATOM 1448 NZ LYS B 31 -10.258 21.040 -7.858 1.00 0.00 N ATOM 0 H LYS B 31 -3.554 19.788 -9.513 1.00 0.00 H new ATOM 0 HA LYS B 31 -5.158 18.414 -7.673 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -5.236 20.841 -8.243 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.944 20.441 -9.796 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.350 19.390 -7.362 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.418 21.120 -7.629 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -8.418 20.812 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -8.175 19.078 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -10.500 19.490 -9.275 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -9.737 18.993 -7.777 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -11.194 20.873 -7.437 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.588 21.319 -7.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -10.326 21.800 -8.564 1.00 0.00 H new ATOM 1462 N SER B 32 -5.724 17.400 -10.692 1.00 0.00 N ATOM 1463 CA SER B 32 -6.368 16.345 -11.494 1.00 0.00 C ATOM 1464 C SER B 32 -5.587 15.018 -11.530 1.00 0.00 C ATOM 1465 O SER B 32 -5.945 14.103 -12.274 1.00 0.00 O ATOM 1466 CB SER B 32 -6.634 16.889 -12.907 1.00 0.00 C ATOM 1467 OG SER B 32 -7.609 16.116 -13.590 1.00 0.00 O ATOM 0 H SER B 32 -5.035 17.937 -11.218 1.00 0.00 H new ATOM 0 HA SER B 32 -7.310 16.091 -11.008 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.970 17.924 -12.842 1.00 0.00 H new ATOM 0 HB3 SER B 32 -5.705 16.891 -13.478 1.00 0.00 H new ATOM 0 HG SER B 32 -7.407 15.163 -13.480 1.00 0.00 H new ATOM 1473 N VAL B 33 -4.551 14.881 -10.695 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.732 13.666 -10.545 1.00 0.00 C ATOM 1475 C VAL B 33 -3.854 13.092 -9.135 1.00 0.00 C ATOM 1476 O VAL B 33 -4.112 11.893 -9.008 1.00 0.00 O ATOM 1477 CB VAL B 33 -2.270 13.949 -10.947 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -1.278 12.883 -10.472 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -2.156 14.022 -12.475 1.00 0.00 C ATOM 0 H VAL B 33 -4.247 15.638 -10.082 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.109 12.901 -11.223 1.00 0.00 H new ATOM 0 HB VAL B 33 -2.014 14.892 -10.465 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -0.272 13.153 -10.793 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.306 12.819 -9.384 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.549 11.918 -10.900 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -1.121 14.222 -12.754 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -2.472 13.073 -12.909 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.794 14.823 -12.850 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.796 13.911 -8.070 1.00 0.00 N ATOM 1490 CA LEU B 34 -4.133 13.417 -6.733 1.00 0.00 C ATOM 1491 C LEU B 34 -5.629 13.046 -6.620 1.00 0.00 C ATOM 1492 O LEU B 34 -5.962 12.185 -5.814 1.00 0.00 O ATOM 1493 CB LEU B 34 -3.573 14.338 -5.621 1.00 0.00 C ATOM 1494 CG LEU B 34 -4.551 15.391 -5.104 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -4.109 16.081 -3.816 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.832 16.484 -6.119 1.00 0.00 C ATOM 0 H LEU B 34 -3.525 14.894 -8.110 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.618 12.471 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.253 13.718 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.685 14.843 -6.001 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.451 14.808 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.860 16.813 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.994 15.338 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.157 16.585 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.533 17.203 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.902 16.992 -6.374 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.263 16.044 -7.018 1.00 0.00 H new ATOM 1508 N GLN B 35 -6.528 13.610 -7.447 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.962 13.274 -7.440 1.00 0.00 C ATOM 1510 C GLN B 35 -8.239 11.776 -7.681 1.00 0.00 C ATOM 1511 O GLN B 35 -9.155 11.210 -7.082 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.684 14.161 -8.471 1.00 0.00 C ATOM 1513 CG GLN B 35 -10.210 13.967 -8.500 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.907 14.938 -9.458 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -10.668 16.140 -9.469 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.802 14.464 -10.301 1.00 0.00 N ATOM 0 H GLN B 35 -6.278 14.314 -8.141 1.00 0.00 H new ATOM 0 HA GLN B 35 -8.353 13.475 -6.442 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -8.465 15.206 -8.254 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -8.282 13.950 -9.462 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -10.437 12.943 -8.797 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -10.609 14.104 -7.495 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -12.017 13.467 -10.309 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.280 15.094 -10.945 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.437 11.112 -8.523 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.593 9.683 -8.845 1.00 0.00 C ATOM 1527 C LYS B 36 -7.168 8.773 -7.686 1.00 0.00 C ATOM 1528 O LYS B 36 -7.892 7.842 -7.336 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.802 9.406 -10.136 1.00 0.00 C ATOM 1530 CG LYS B 36 -7.137 8.055 -10.782 1.00 0.00 C ATOM 1531 CD LYS B 36 -6.329 7.882 -12.077 1.00 0.00 C ATOM 1532 CE LYS B 36 -6.666 6.551 -12.759 1.00 0.00 C ATOM 1533 NZ LYS B 36 -5.927 6.397 -14.040 1.00 0.00 N ATOM 0 H LYS B 36 -6.654 11.553 -9.005 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.646 9.452 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -7.002 10.202 -10.853 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -5.736 9.439 -9.913 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -6.910 7.244 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -8.204 8.000 -10.998 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -6.542 8.707 -12.756 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -5.263 7.921 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -6.418 5.725 -12.092 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -7.738 6.498 -12.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -6.176 5.487 -14.477 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -6.183 7.172 -14.684 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -4.904 6.424 -13.856 1.00 0.00 H new ATOM 1547 N ILE B 37 -6.049 9.101 -7.033 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.630 8.502 -5.754 1.00 0.00 C ATOM 1549 C ILE B 37 -6.679 8.775 -4.667 1.00 0.00 C ATOM 1550 O ILE B 37 -7.036 7.853 -3.945 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.245 9.069 -5.337 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -3.121 8.663 -6.309 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.909 8.706 -3.876 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.723 9.204 -5.980 1.00 0.00 C ATOM 0 H ILE B 37 -5.395 9.802 -7.381 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.543 7.422 -5.877 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.315 10.155 -5.397 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -3.070 7.575 -6.341 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.393 8.999 -7.310 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.934 9.117 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.668 9.123 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.887 7.622 -3.766 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -1.012 8.856 -6.729 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.745 10.294 -5.980 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.417 8.847 -4.996 1.00 0.00 H new ATOM 1566 N LEU B 38 -7.210 9.997 -4.556 1.00 0.00 N ATOM 1567 CA LEU B 38 -8.249 10.338 -3.578 1.00 0.00 C ATOM 1568 C LEU B 38 -9.533 9.519 -3.776 1.00 0.00 C ATOM 1569 O LEU B 38 -10.113 9.073 -2.787 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.564 11.846 -3.631 1.00 0.00 C ATOM 1571 CG LEU B 38 -7.516 12.758 -2.967 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -7.867 14.222 -3.232 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -7.475 12.553 -1.454 1.00 0.00 C ATOM 0 H LEU B 38 -6.930 10.781 -5.145 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.855 10.086 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.671 12.142 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.527 12.017 -3.151 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.545 12.504 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -7.124 14.865 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.877 14.405 -4.306 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.851 14.441 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -6.725 13.212 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.452 12.784 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.219 11.517 -1.234 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.967 9.272 -5.016 1.00 0.00 N ATOM 1586 CA GLU B 39 -11.155 8.447 -5.270 1.00 0.00 C ATOM 1587 C GLU B 39 -10.931 6.967 -4.922 1.00 0.00 C ATOM 1588 O GLU B 39 -11.799 6.320 -4.333 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.599 8.637 -6.732 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.936 7.954 -7.049 1.00 0.00 C ATOM 1591 CD GLU B 39 -13.390 8.275 -8.487 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -14.088 9.298 -8.696 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -13.067 7.499 -9.421 1.00 0.00 O ATOM 0 H GLU B 39 -9.516 9.630 -5.858 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.955 8.781 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.683 9.703 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.829 8.240 -7.394 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.836 6.875 -6.927 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -13.695 8.286 -6.341 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.737 6.453 -5.200 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.270 5.152 -4.747 1.00 0.00 C ATOM 1602 C ASP B 40 -9.143 5.076 -3.212 1.00 0.00 C ATOM 1603 O ASP B 40 -9.531 4.072 -2.617 1.00 0.00 O ATOM 1604 CB ASP B 40 -7.910 4.936 -5.425 1.00 0.00 C ATOM 1605 CG ASP B 40 -7.962 4.269 -6.811 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -9.054 4.002 -7.366 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.857 4.014 -7.342 1.00 0.00 O ATOM 0 H ASP B 40 -9.047 6.948 -5.765 1.00 0.00 H new ATOM 0 HA ASP B 40 -9.985 4.374 -5.015 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.415 5.902 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.289 4.325 -4.770 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.659 6.131 -2.542 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.513 6.138 -1.077 1.00 0.00 C ATOM 1614 C GLU B 41 -9.896 6.213 -0.401 1.00 0.00 C ATOM 1615 O GLU B 41 -10.131 5.531 0.595 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.588 7.264 -0.537 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.052 7.279 -0.788 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.358 5.915 -0.835 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.793 4.904 -0.220 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.282 5.836 -1.479 1.00 0.00 O ATOM 0 H GLU B 41 -8.360 6.996 -2.993 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.022 5.199 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -7.977 8.203 -0.931 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.727 7.290 0.544 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -5.865 7.791 -1.732 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.583 7.874 -0.004 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.849 6.960 -0.966 1.00 0.00 N ATOM 1628 CA GLU B 42 -12.251 6.957 -0.524 1.00 0.00 C ATOM 1629 C GLU B 42 -12.878 5.555 -0.619 1.00 0.00 C ATOM 1630 O GLU B 42 -13.557 5.119 0.315 1.00 0.00 O ATOM 1631 CB GLU B 42 -13.051 7.995 -1.330 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.492 8.154 -0.823 1.00 0.00 C ATOM 1633 CD GLU B 42 -15.222 9.283 -1.577 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.847 9.012 -2.631 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -15.189 10.450 -1.114 1.00 0.00 O ATOM 0 H GLU B 42 -10.670 7.589 -1.749 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.282 7.236 0.529 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.544 8.958 -1.279 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -13.069 7.699 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -15.032 7.216 -0.953 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.484 8.372 0.245 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.593 4.814 -1.700 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.011 3.412 -1.860 1.00 0.00 C ATOM 1644 C LYS B 43 -12.439 2.521 -0.749 1.00 0.00 C ATOM 1645 O LYS B 43 -13.176 1.728 -0.170 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.629 2.890 -3.262 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.747 2.106 -3.963 1.00 0.00 C ATOM 1648 CD LYS B 43 -14.876 3.020 -4.472 1.00 0.00 C ATOM 1649 CE LYS B 43 -15.941 2.254 -5.272 1.00 0.00 C ATOM 1650 NZ LYS B 43 -15.455 1.831 -6.614 1.00 0.00 N ATOM 0 H LYS B 43 -12.062 5.173 -2.494 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.096 3.371 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.345 3.736 -3.888 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.751 2.250 -3.173 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.327 1.551 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.161 1.373 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.350 3.513 -3.623 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -14.450 3.803 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -16.251 1.374 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -16.823 2.883 -5.391 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -16.211 1.319 -7.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -15.184 2.670 -7.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -14.630 1.208 -6.504 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.161 2.680 -0.383 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.528 1.948 0.693 1.00 0.00 C ATOM 1666 C HIS B 44 -11.165 2.250 2.051 1.00 0.00 C ATOM 1667 O HIS B 44 -11.491 1.319 2.780 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.043 2.317 0.683 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.256 1.971 -0.561 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -6.921 2.348 -0.830 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.749 1.254 -1.613 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.687 1.856 -2.075 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.765 1.216 -2.557 1.00 0.00 N ATOM 0 H HIS B 44 -10.534 3.339 -0.845 1.00 0.00 H new ATOM 0 HA HIS B 44 -10.660 0.877 0.537 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -8.960 3.391 0.848 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.567 1.827 1.532 1.00 0.00 H new ATOM 0 HD1 HIS B 44 -6.282 2.868 -0.229 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.728 0.804 -1.684 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.754 1.966 -2.608 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.395 3.526 2.375 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.076 3.959 3.602 1.00 0.00 C ATOM 1683 C ILE B 45 -13.504 3.385 3.703 1.00 0.00 C ATOM 1684 O ILE B 45 -13.884 2.900 4.769 1.00 0.00 O ATOM 1685 CB ILE B 45 -12.003 5.508 3.709 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -10.735 5.975 4.468 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.219 6.122 4.421 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.393 5.722 3.773 1.00 0.00 C ATOM 0 H ILE B 45 -11.108 4.304 1.781 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.561 3.550 4.472 1.00 0.00 H new ATOM 0 HB ILE B 45 -11.980 5.854 2.676 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -10.825 7.045 4.658 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -10.716 5.479 5.439 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.107 7.205 4.463 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.127 5.872 3.872 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.287 5.725 5.434 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.583 6.092 4.401 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.265 4.652 3.608 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.376 6.242 2.815 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.275 3.354 2.609 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.592 2.706 2.573 1.00 0.00 C ATOM 1702 C GLU B 46 -15.517 1.210 2.915 1.00 0.00 C ATOM 1703 O GLU B 46 -16.314 0.712 3.711 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.221 2.881 1.181 1.00 0.00 C ATOM 1705 CG GLU B 46 -16.829 4.264 0.928 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.152 4.459 1.693 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.216 4.011 1.199 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.144 5.073 2.788 1.00 0.00 O ATOM 0 H GLU B 46 -14.003 3.778 1.722 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.210 3.188 3.331 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.459 2.689 0.425 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -16.997 2.127 1.050 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.118 5.034 1.230 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.005 4.393 -0.140 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.544 0.493 2.352 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.365 -0.939 2.571 1.00 0.00 C ATOM 1717 C TRP B 47 -13.841 -1.244 3.978 1.00 0.00 C ATOM 1718 O TRP B 47 -14.267 -2.215 4.596 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.394 -1.481 1.526 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.745 -1.331 0.075 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -14.929 -0.962 -0.471 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -12.840 -1.509 -1.049 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.801 -0.898 -1.851 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.524 -1.225 -2.262 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.487 -1.870 -1.140 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.880 -1.292 -3.510 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.818 -1.931 -2.375 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.514 -1.639 -3.563 1.00 0.00 C ATOM 0 H TRP B 47 -13.850 0.898 1.723 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.337 -1.424 2.476 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.431 -0.996 1.686 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.253 -2.543 1.725 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -15.832 -0.751 0.082 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.558 -0.641 -2.485 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -10.945 -2.107 -0.237 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.425 -1.080 -4.418 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.773 -2.201 -2.412 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -11.003 -1.681 -4.514 1.00 0.00 H new ATOM 1739 N LEU B 48 -12.964 -0.394 4.517 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.515 -0.435 5.908 1.00 0.00 C ATOM 1741 C LEU B 48 -13.692 -0.354 6.881 1.00 0.00 C ATOM 1742 O LEU B 48 -13.823 -1.183 7.779 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.555 0.743 6.159 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.086 0.382 6.364 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.862 -0.638 7.484 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.413 -0.126 5.093 1.00 0.00 C ATOM 0 H LEU B 48 -12.536 0.362 3.982 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.006 -1.384 6.079 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.625 1.428 5.314 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.901 1.285 7.039 1.00 0.00 H new ATOM 0 HG LEU B 48 -9.623 1.325 6.656 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.797 -0.849 7.576 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -10.234 -0.233 8.425 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -10.396 -1.559 7.249 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.371 -0.366 5.304 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.927 -1.021 4.742 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -9.459 0.645 4.324 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.577 0.616 6.664 1.00 0.00 N ATOM 1759 CA GLU B 49 -15.833 0.739 7.420 1.00 0.00 C ATOM 1760 C GLU B 49 -16.720 -0.506 7.294 1.00 0.00 C ATOM 1761 O GLU B 49 -17.250 -0.997 8.292 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.624 1.970 6.951 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.542 2.487 8.066 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.406 3.672 7.593 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.497 3.440 7.017 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -18.023 4.844 7.828 1.00 0.00 O ATOM 0 H GLU B 49 -14.449 1.342 5.960 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.555 0.849 8.468 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -15.934 2.757 6.648 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.219 1.713 6.074 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.189 1.679 8.408 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -16.939 2.795 8.920 1.00 0.00 H new ATOM 1773 N THR B 50 -16.838 -1.058 6.085 1.00 0.00 N ATOM 1774 CA THR B 50 -17.549 -2.320 5.836 1.00 0.00 C ATOM 1775 C THR B 50 -16.943 -3.516 6.590 1.00 0.00 C ATOM 1776 O THR B 50 -17.673 -4.395 7.055 1.00 0.00 O ATOM 1777 CB THR B 50 -17.616 -2.557 4.319 1.00 0.00 C ATOM 1778 OG1 THR B 50 -18.495 -1.628 3.716 1.00 0.00 O ATOM 1779 CG2 THR B 50 -18.097 -3.938 3.918 1.00 0.00 C ATOM 0 H THR B 50 -16.441 -0.641 5.243 1.00 0.00 H new ATOM 0 HA THR B 50 -18.560 -2.231 6.233 1.00 0.00 H new ATOM 0 HB THR B 50 -16.587 -2.443 3.979 1.00 0.00 H new ATOM 0 HG1 THR B 50 -18.035 -0.771 3.599 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.113 -4.016 2.831 1.00 0.00 H new ATOM 0 HG22 THR B 50 -17.423 -4.691 4.326 1.00 0.00 H new ATOM 0 HG23 THR B 50 -19.102 -4.101 4.308 1.00 0.00 H new ATOM 1787 N ILE B 51 -15.621 -3.535 6.763 1.00 0.00 N ATOM 1788 CA ILE B 51 -14.869 -4.561 7.517 1.00 0.00 C ATOM 1789 C ILE B 51 -14.969 -4.376 9.043 1.00 0.00 C ATOM 1790 O ILE B 51 -14.871 -5.338 9.807 1.00 0.00 O ATOM 1791 CB ILE B 51 -13.407 -4.632 6.998 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -13.377 -5.199 5.556 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -12.486 -5.494 7.884 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -12.068 -4.912 4.805 1.00 0.00 C ATOM 0 H ILE B 51 -15.015 -2.814 6.371 1.00 0.00 H new ATOM 0 HA ILE B 51 -15.333 -5.530 7.332 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.030 -3.610 7.023 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -13.533 -6.277 5.596 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -14.209 -4.777 4.992 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -11.480 -5.501 7.465 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.456 -5.078 8.891 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -12.869 -6.514 7.924 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -12.122 -5.339 3.804 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -11.919 -3.835 4.732 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -11.233 -5.358 5.345 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.235 -3.152 9.488 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.422 -2.756 10.890 1.00 0.00 C ATOM 1808 C ASN B 52 -16.819 -3.163 11.431 1.00 0.00 C ATOM 1809 O ASN B 52 -17.647 -2.314 11.783 1.00 0.00 O ATOM 1810 CB ASN B 52 -15.090 -1.254 11.026 1.00 0.00 C ATOM 1811 CG ASN B 52 -14.857 -0.820 12.466 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -13.733 -0.625 12.910 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -15.900 -0.653 13.246 1.00 0.00 N ATOM 0 H ASN B 52 -15.332 -2.363 8.849 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.731 -3.302 11.532 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -14.200 -1.030 10.437 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -15.907 -0.668 10.604 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -15.771 -0.363 14.215 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -16.839 -0.814 12.883 1.00 0.00 H new