USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 15 MET CE :methyl -163:sc= -0.396 (180deg=-1.81) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc=-0.00429 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.24) USER MOD Single : A 27 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.54) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00331) USER MOD Single : A 44 HIS : no HE2:sc= -4.87! C(o=-4.9!,f=-8.2!) USER MOD Single : A 50 THR OG1 : rot 74:sc= 0.114 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.57) 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=-0.0019) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 15 MET CE :methyl 159:sc= -1.49 (180deg=-2.08) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= -0.196 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= -0.118 K(o=-0.12,f=-3.4!) 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 83:sc= 0.27 USER MOD Single : B 35 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.62) 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= -4.16 K(o=-4.2,f=-9.4!) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 4 6.270 14.562 -1.515 1.00 0.00 N ATOM 54 CA LEU A 4 5.969 13.244 -2.091 1.00 0.00 C ATOM 55 C LEU A 4 6.569 12.095 -1.270 1.00 0.00 C ATOM 56 O LEU A 4 5.838 11.195 -0.866 1.00 0.00 O ATOM 57 CB LEU A 4 6.357 13.229 -3.588 1.00 0.00 C ATOM 58 CG LEU A 4 7.868 13.374 -3.862 1.00 0.00 C ATOM 59 CD1 LEU A 4 8.509 12.027 -4.202 1.00 0.00 C ATOM 60 CD2 LEU A 4 8.163 14.349 -4.999 1.00 0.00 C ATOM 0 HA LEU A 4 4.894 13.068 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.009 12.296 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.830 14.038 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 4 8.297 13.766 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.574 12.168 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.375 11.339 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.036 11.613 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.240 14.415 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.688 13.995 -5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.772 15.334 -4.744 1.00 0.00 H new ATOM 72 N ARG A 5 7.863 12.177 -0.926 1.00 0.00 N ATOM 73 CA ARG A 5 8.596 11.212 -0.086 1.00 0.00 C ATOM 74 C ARG A 5 7.998 11.108 1.324 1.00 0.00 C ATOM 75 O ARG A 5 7.959 10.031 1.915 1.00 0.00 O ATOM 76 CB ARG A 5 10.072 11.657 -0.064 1.00 0.00 C ATOM 77 CG ARG A 5 11.067 10.532 0.252 1.00 0.00 C ATOM 78 CD ARG A 5 12.500 11.077 0.140 1.00 0.00 C ATOM 79 NE ARG A 5 13.511 10.001 0.146 1.00 0.00 N ATOM 80 CZ ARG A 5 14.184 9.528 1.181 1.00 0.00 C ATOM 81 NH1 ARG A 5 13.968 9.933 2.401 1.00 0.00 N ATOM 82 NH2 ARG A 5 15.106 8.625 1.002 1.00 0.00 N ATOM 0 H ARG A 5 8.453 12.948 -1.237 1.00 0.00 H new ATOM 0 HA ARG A 5 8.515 10.208 -0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.324 12.087 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.190 12.448 0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.890 10.145 1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.926 9.701 -0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.595 11.657 -0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.693 11.758 0.969 1.00 0.00 H new ATOM 0 HE ARG A 5 13.715 9.571 -0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.257 10.641 2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.510 9.542 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.309 8.283 0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.625 8.261 1.801 1.00 0.00 H new ATOM 96 N GLU A 6 7.471 12.231 1.812 1.00 0.00 N ATOM 97 CA GLU A 6 6.701 12.360 3.052 1.00 0.00 C ATOM 98 C GLU A 6 5.458 11.446 3.056 1.00 0.00 C ATOM 99 O GLU A 6 5.292 10.602 3.938 1.00 0.00 O ATOM 100 CB GLU A 6 6.315 13.851 3.195 1.00 0.00 C ATOM 101 CG GLU A 6 5.663 14.210 4.537 1.00 0.00 C ATOM 102 CD GLU A 6 6.700 14.273 5.677 1.00 0.00 C ATOM 103 OE1 GLU A 6 7.033 13.215 6.265 1.00 0.00 O ATOM 104 OE2 GLU A 6 7.195 15.384 5.991 1.00 0.00 O ATOM 0 H GLU A 6 7.574 13.123 1.328 1.00 0.00 H new ATOM 0 HA GLU A 6 7.301 12.039 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.210 14.460 3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.630 14.115 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.159 15.172 4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.900 13.471 4.780 1.00 0.00 H new ATOM 111 N LEU A 7 4.605 11.582 2.035 1.00 0.00 N ATOM 112 CA LEU A 7 3.363 10.823 1.869 1.00 0.00 C ATOM 113 C LEU A 7 3.606 9.340 1.574 1.00 0.00 C ATOM 114 O LEU A 7 2.972 8.498 2.204 1.00 0.00 O ATOM 115 CB LEU A 7 2.514 11.457 0.750 1.00 0.00 C ATOM 116 CG LEU A 7 1.738 12.694 1.230 1.00 0.00 C ATOM 117 CD1 LEU A 7 2.601 13.939 1.405 1.00 0.00 C ATOM 118 CD2 LEU A 7 0.616 13.030 0.255 1.00 0.00 C ATOM 0 H LEU A 7 4.766 12.245 1.277 1.00 0.00 H new ATOM 0 HA LEU A 7 2.827 10.869 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.163 11.738 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.811 10.717 0.368 1.00 0.00 H new ATOM 0 HG LEU A 7 1.346 12.422 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.980 14.767 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.379 13.742 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.062 14.199 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.077 13.908 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.038 13.236 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.070 12.186 0.185 1.00 0.00 H new ATOM 130 N TYR A 8 4.548 9.027 0.675 1.00 0.00 N ATOM 131 CA TYR A 8 4.991 7.672 0.288 1.00 0.00 C ATOM 132 C TYR A 8 5.231 6.769 1.495 1.00 0.00 C ATOM 133 O TYR A 8 4.901 5.586 1.468 1.00 0.00 O ATOM 134 CB TYR A 8 6.338 7.836 -0.453 1.00 0.00 C ATOM 135 CG TYR A 8 6.733 6.845 -1.535 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.905 5.477 -1.247 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.071 7.332 -2.814 1.00 0.00 C ATOM 138 CE1 TYR A 8 7.398 4.602 -2.237 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.546 6.459 -3.811 1.00 0.00 C ATOM 140 CZ TYR A 8 7.718 5.089 -3.523 1.00 0.00 C ATOM 141 OH TYR A 8 8.223 4.258 -4.474 1.00 0.00 O ATOM 0 H TYR A 8 5.054 9.752 0.166 1.00 0.00 H new ATOM 0 HA TYR A 8 4.215 7.212 -0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.341 8.828 -0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.126 7.826 0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.659 5.098 -0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.965 8.385 -3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.531 3.554 -2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.778 6.838 -4.795 1.00 0.00 H new ATOM 0 HH TYR A 8 8.383 4.763 -5.298 1.00 0.00 H new ATOM 151 N LYS A 9 5.801 7.331 2.563 1.00 0.00 N ATOM 152 CA LYS A 9 6.121 6.604 3.792 1.00 0.00 C ATOM 153 C LYS A 9 4.884 6.083 4.515 1.00 0.00 C ATOM 154 O LYS A 9 4.759 4.877 4.699 1.00 0.00 O ATOM 155 CB LYS A 9 7.016 7.505 4.666 1.00 0.00 C ATOM 156 CG LYS A 9 7.703 6.744 5.810 1.00 0.00 C ATOM 157 CD LYS A 9 8.467 7.727 6.713 1.00 0.00 C ATOM 158 CE LYS A 9 9.287 7.018 7.801 1.00 0.00 C ATOM 159 NZ LYS A 9 10.539 6.420 7.262 1.00 0.00 N ATOM 0 H LYS A 9 6.057 8.318 2.598 1.00 0.00 H new ATOM 0 HA LYS A 9 6.672 5.697 3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.777 7.970 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.412 8.310 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.960 6.203 6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.390 6.002 5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.133 8.335 6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.758 8.408 7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.536 7.730 8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.681 6.236 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.060 5.953 8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.302 5.721 6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.131 7.168 6.848 1.00 0.00 H new ATOM 173 N LEU A 10 3.937 6.948 4.863 1.00 0.00 N ATOM 174 CA LEU A 10 2.650 6.560 5.432 1.00 0.00 C ATOM 175 C LEU A 10 1.784 5.742 4.456 1.00 0.00 C ATOM 176 O LEU A 10 1.112 4.799 4.874 1.00 0.00 O ATOM 177 CB LEU A 10 1.917 7.795 5.974 1.00 0.00 C ATOM 178 CG LEU A 10 2.671 8.416 7.170 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.638 9.530 6.765 1.00 0.00 C ATOM 180 CD2 LEU A 10 1.679 8.961 8.197 1.00 0.00 C ATOM 0 H LEU A 10 4.044 7.957 4.756 1.00 0.00 H new ATOM 0 HA LEU A 10 2.847 5.888 6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.815 8.536 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.909 7.516 6.282 1.00 0.00 H new ATOM 0 HG LEU A 10 3.266 7.612 7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.134 9.922 7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.385 9.132 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.085 10.331 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.224 9.396 9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.058 9.726 7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.046 8.150 8.558 1.00 0.00 H new ATOM 192 N GLU A 11 1.878 6.026 3.155 1.00 0.00 N ATOM 193 CA GLU A 11 1.379 5.166 2.075 1.00 0.00 C ATOM 194 C GLU A 11 1.960 3.742 2.174 1.00 0.00 C ATOM 195 O GLU A 11 1.202 2.774 2.065 1.00 0.00 O ATOM 196 CB GLU A 11 1.675 5.856 0.719 1.00 0.00 C ATOM 197 CG GLU A 11 0.527 6.739 0.193 1.00 0.00 C ATOM 198 CD GLU A 11 -0.630 5.964 -0.451 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.232 4.996 0.040 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.193 6.247 -1.526 1.00 0.00 O ATOM 0 H GLU A 11 2.314 6.882 2.813 1.00 0.00 H new ATOM 0 HA GLU A 11 0.300 5.039 2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.570 6.469 0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.898 5.090 -0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.135 7.332 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.930 7.439 -0.539 1.00 0.00 H new ATOM 207 N GLN A 12 3.256 3.571 2.484 1.00 0.00 N ATOM 208 CA GLN A 12 3.842 2.251 2.676 1.00 0.00 C ATOM 209 C GLN A 12 3.651 1.635 4.061 1.00 0.00 C ATOM 210 O GLN A 12 3.736 0.417 4.192 1.00 0.00 O ATOM 211 CB GLN A 12 5.319 2.272 2.295 1.00 0.00 C ATOM 212 CG GLN A 12 5.439 2.242 0.771 1.00 0.00 C ATOM 213 CD GLN A 12 6.889 2.063 0.319 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.808 2.726 0.781 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.162 1.144 -0.584 1.00 0.00 N ATOM 0 H GLN A 12 3.914 4.341 2.606 1.00 0.00 H new ATOM 0 HA GLN A 12 3.282 1.595 2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.798 3.167 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.833 1.415 2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.832 1.428 0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.041 3.168 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.410 0.581 -0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.125 0.996 -0.886 1.00 0.00 H new ATOM 224 N GLN A 13 3.341 2.420 5.087 1.00 0.00 N ATOM 225 CA GLN A 13 3.009 1.884 6.411 1.00 0.00 C ATOM 226 C GLN A 13 1.669 1.143 6.404 1.00 0.00 C ATOM 227 O GLN A 13 1.568 0.093 7.035 1.00 0.00 O ATOM 228 CB GLN A 13 2.994 3.010 7.461 1.00 0.00 C ATOM 229 CG GLN A 13 4.376 3.600 7.793 1.00 0.00 C ATOM 230 CD GLN A 13 5.142 2.791 8.841 1.00 0.00 C ATOM 231 OE1 GLN A 13 5.329 1.587 8.735 1.00 0.00 O ATOM 232 NE2 GLN A 13 5.617 3.420 9.898 1.00 0.00 N ATOM 0 H GLN A 13 3.311 3.438 5.030 1.00 0.00 H new ATOM 0 HA GLN A 13 3.783 1.164 6.676 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.348 3.812 7.104 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.548 2.626 8.379 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.969 3.654 6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.251 4.621 8.152 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.470 4.424 10.003 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.131 2.903 10.611 1.00 0.00 H new ATOM 241 N ALA A 14 0.671 1.610 5.641 1.00 0.00 N ATOM 242 CA ALA A 14 -0.564 0.855 5.432 1.00 0.00 C ATOM 243 C ALA A 14 -0.311 -0.363 4.535 1.00 0.00 C ATOM 244 O ALA A 14 -0.780 -1.446 4.861 1.00 0.00 O ATOM 245 CB ALA A 14 -1.620 1.787 4.831 1.00 0.00 C ATOM 0 H ALA A 14 0.699 2.509 5.159 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.930 0.477 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.545 1.233 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.806 2.615 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.261 2.177 3.878 1.00 0.00 H new ATOM 251 N MET A 15 0.489 -0.234 3.469 1.00 0.00 N ATOM 252 CA MET A 15 0.913 -1.385 2.642 1.00 0.00 C ATOM 253 C MET A 15 1.638 -2.486 3.443 1.00 0.00 C ATOM 254 O MET A 15 1.338 -3.667 3.263 1.00 0.00 O ATOM 255 CB MET A 15 1.905 -0.929 1.564 1.00 0.00 C ATOM 256 CG MET A 15 1.274 -0.258 0.344 1.00 0.00 C ATOM 257 SD MET A 15 0.243 -1.344 -0.679 1.00 0.00 S ATOM 258 CE MET A 15 1.270 -2.828 -0.773 1.00 0.00 C ATOM 0 H MET A 15 0.861 0.661 3.152 1.00 0.00 H new ATOM 0 HA MET A 15 -0.010 -1.787 2.224 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.614 -0.235 2.015 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.476 -1.795 1.228 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.667 0.581 0.683 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.069 0.154 -0.277 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.927 -3.457 -1.595 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.308 -2.542 -0.944 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.196 -3.382 0.163 1.00 0.00 H new ATOM 268 N LYS A 16 2.595 -2.141 4.320 1.00 0.00 N ATOM 269 CA LYS A 16 3.323 -3.122 5.145 1.00 0.00 C ATOM 270 C LYS A 16 2.435 -3.748 6.210 1.00 0.00 C ATOM 271 O LYS A 16 2.580 -4.931 6.515 1.00 0.00 O ATOM 272 CB LYS A 16 4.540 -2.476 5.815 1.00 0.00 C ATOM 273 CG LYS A 16 5.813 -2.733 4.995 1.00 0.00 C ATOM 274 CD LYS A 16 7.059 -2.206 5.714 1.00 0.00 C ATOM 275 CE LYS A 16 8.329 -2.684 4.996 1.00 0.00 C ATOM 276 NZ LYS A 16 9.563 -2.200 5.672 1.00 0.00 N ATOM 0 H LYS A 16 2.886 -1.176 4.478 1.00 0.00 H new ATOM 0 HA LYS A 16 3.654 -3.911 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.378 -1.403 5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.663 -2.877 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.921 -3.802 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.723 -2.252 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.037 -1.117 5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.065 -2.552 6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.338 -3.773 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.318 -2.331 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.399 -2.544 5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.567 -1.160 5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.587 -2.557 6.648 1.00 0.00 H new ATOM 290 N LEU A 17 1.483 -2.978 6.734 1.00 0.00 N ATOM 291 CA LEU A 17 0.409 -3.523 7.552 1.00 0.00 C ATOM 292 C LEU A 17 -0.444 -4.512 6.747 1.00 0.00 C ATOM 293 O LEU A 17 -0.650 -5.635 7.193 1.00 0.00 O ATOM 294 CB LEU A 17 -0.398 -2.346 8.124 1.00 0.00 C ATOM 295 CG LEU A 17 0.041 -1.963 9.547 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.742 -0.731 9.978 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.213 -3.063 10.583 1.00 0.00 C ATOM 0 H LEU A 17 1.437 -1.967 6.603 1.00 0.00 H new ATOM 0 HA LEU A 17 0.809 -4.101 8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.287 -1.482 7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.456 -2.606 8.132 1.00 0.00 H new ATOM 0 HG LEU A 17 1.116 -1.788 9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.443 -0.444 10.986 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.536 0.090 9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.809 -0.955 9.965 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.121 -2.724 11.563 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.279 -3.288 10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.338 -3.961 10.303 1.00 0.00 H new ATOM 309 N TYR A 18 -0.842 -4.152 5.527 1.00 0.00 N ATOM 310 CA TYR A 18 -1.581 -4.994 4.583 1.00 0.00 C ATOM 311 C TYR A 18 -0.844 -6.310 4.228 1.00 0.00 C ATOM 312 O TYR A 18 -1.479 -7.366 4.161 1.00 0.00 O ATOM 313 CB TYR A 18 -1.946 -4.131 3.350 1.00 0.00 C ATOM 314 CG TYR A 18 -3.300 -3.427 3.407 1.00 0.00 C ATOM 315 CD1 TYR A 18 -4.451 -4.187 3.672 1.00 0.00 C ATOM 316 CD2 TYR A 18 -3.436 -2.045 3.129 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.722 -3.592 3.680 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.710 -1.427 3.176 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.850 -2.203 3.478 1.00 0.00 C ATOM 320 OH TYR A 18 -7.072 -1.611 3.552 1.00 0.00 O ATOM 0 H TYR A 18 -0.650 -3.223 5.152 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.500 -5.343 5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.171 -3.376 3.216 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.926 -4.768 2.466 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.357 -5.244 3.872 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.564 -1.459 2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.601 -4.198 3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.808 -0.369 2.982 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.980 -0.649 3.388 1.00 0.00 H new ATOM 330 N ARG A 19 0.492 -6.288 4.097 1.00 0.00 N ATOM 331 CA ARG A 19 1.372 -7.465 3.891 1.00 0.00 C ATOM 332 C ARG A 19 1.320 -8.511 5.022 1.00 0.00 C ATOM 333 O ARG A 19 1.590 -9.686 4.779 1.00 0.00 O ATOM 334 CB ARG A 19 2.807 -6.949 3.635 1.00 0.00 C ATOM 335 CG ARG A 19 3.883 -8.032 3.435 1.00 0.00 C ATOM 336 CD ARG A 19 5.214 -7.396 3.001 1.00 0.00 C ATOM 337 NE ARG A 19 6.350 -8.340 3.089 1.00 0.00 N ATOM 338 CZ ARG A 19 6.711 -9.264 2.215 1.00 0.00 C ATOM 339 NH1 ARG A 19 6.037 -9.503 1.126 1.00 0.00 N ATOM 340 NH2 ARG A 19 7.780 -9.980 2.424 1.00 0.00 N ATOM 0 H ARG A 19 1.018 -5.415 4.132 1.00 0.00 H new ATOM 0 HA ARG A 19 1.003 -8.014 3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.791 -6.312 2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.102 -6.321 4.476 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.024 -8.588 4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.552 -8.747 2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.124 -7.036 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.419 -6.527 3.627 1.00 0.00 H new ATOM 0 HE ARG A 19 6.926 -8.269 3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.194 -8.967 0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.352 -10.226 0.479 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.340 -9.828 3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.057 -10.692 1.748 1.00 0.00 H new ATOM 354 N GLU A 20 0.940 -8.115 6.237 1.00 0.00 N ATOM 355 CA GLU A 20 0.955 -8.957 7.453 1.00 0.00 C ATOM 356 C GLU A 20 -0.460 -9.259 7.956 1.00 0.00 C ATOM 357 O GLU A 20 -0.776 -10.378 8.361 1.00 0.00 O ATOM 358 CB GLU A 20 1.757 -8.195 8.519 1.00 0.00 C ATOM 359 CG GLU A 20 2.514 -9.079 9.525 1.00 0.00 C ATOM 360 CD GLU A 20 1.680 -9.421 10.773 1.00 0.00 C ATOM 361 OE1 GLU A 20 1.262 -8.481 11.492 1.00 0.00 O ATOM 362 OE2 GLU A 20 1.482 -10.622 11.071 1.00 0.00 O ATOM 0 H GLU A 20 0.601 -7.170 6.417 1.00 0.00 H new ATOM 0 HA GLU A 20 1.412 -9.921 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.475 -7.547 8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.075 -7.547 9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.816 -10.003 9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.427 -8.569 9.833 1.00 0.00 H new ATOM 369 N ALA A 21 -1.346 -8.278 7.802 1.00 0.00 N ATOM 370 CA ALA A 21 -2.799 -8.427 7.872 1.00 0.00 C ATOM 371 C ALA A 21 -3.332 -9.556 6.970 1.00 0.00 C ATOM 372 O ALA A 21 -4.280 -10.241 7.344 1.00 0.00 O ATOM 373 CB ALA A 21 -3.436 -7.091 7.497 1.00 0.00 C ATOM 0 H ALA A 21 -1.060 -7.317 7.617 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.066 -8.710 8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.521 -7.180 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.105 -6.322 8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.137 -6.816 6.485 1.00 0.00 H new ATOM 379 N SER A 22 -2.692 -9.802 5.819 1.00 0.00 N ATOM 380 CA SER A 22 -2.964 -10.968 4.963 1.00 0.00 C ATOM 381 C SER A 22 -2.788 -12.309 5.699 1.00 0.00 C ATOM 382 O SER A 22 -3.619 -13.210 5.567 1.00 0.00 O ATOM 383 CB SER A 22 -2.048 -10.912 3.734 1.00 0.00 C ATOM 384 OG SER A 22 -2.423 -11.897 2.786 1.00 0.00 O ATOM 0 H SER A 22 -1.963 -9.191 5.451 1.00 0.00 H new ATOM 0 HA SER A 22 -4.010 -10.919 4.661 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.101 -9.923 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.013 -11.068 4.038 1.00 0.00 H new ATOM 0 HG SER A 22 -1.829 -11.845 2.008 1.00 0.00 H new ATOM 390 N GLU A 23 -1.750 -12.443 6.536 1.00 0.00 N ATOM 391 CA GLU A 23 -1.506 -13.650 7.343 1.00 0.00 C ATOM 392 C GLU A 23 -2.442 -13.749 8.556 1.00 0.00 C ATOM 393 O GLU A 23 -2.911 -14.835 8.901 1.00 0.00 O ATOM 394 CB GLU A 23 -0.043 -13.673 7.805 1.00 0.00 C ATOM 395 CG GLU A 23 0.436 -15.111 8.047 1.00 0.00 C ATOM 396 CD GLU A 23 1.941 -15.159 8.371 1.00 0.00 C ATOM 397 OE1 GLU A 23 2.768 -15.174 7.426 1.00 0.00 O ATOM 398 OE2 GLU A 23 2.310 -15.205 9.570 1.00 0.00 O ATOM 0 H GLU A 23 -1.051 -11.713 6.674 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.714 -14.513 6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.587 -13.198 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.062 -13.092 8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.128 -15.550 8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.234 -15.716 7.163 1.00 0.00 H new ATOM 405 N LYS A 24 -2.757 -12.606 9.176 1.00 0.00 N ATOM 406 CA LYS A 24 -3.785 -12.485 10.232 1.00 0.00 C ATOM 407 C LYS A 24 -5.201 -12.830 9.743 1.00 0.00 C ATOM 408 O LYS A 24 -5.965 -13.439 10.493 1.00 0.00 O ATOM 409 CB LYS A 24 -3.730 -11.075 10.838 1.00 0.00 C ATOM 410 CG LYS A 24 -2.613 -10.956 11.887 1.00 0.00 C ATOM 411 CD LYS A 24 -2.114 -9.514 12.034 1.00 0.00 C ATOM 412 CE LYS A 24 -1.375 -9.331 13.365 1.00 0.00 C ATOM 413 NZ LYS A 24 -0.663 -8.032 13.416 1.00 0.00 N ATOM 0 H LYS A 24 -2.300 -11.720 8.959 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.556 -13.223 11.001 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.567 -10.344 10.046 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.689 -10.838 11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.980 -11.312 12.849 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.781 -11.601 11.605 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.449 -9.267 11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.957 -8.825 11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.087 -9.390 14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.662 -10.144 13.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.273 -7.887 14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.111 -8.033 12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.327 -7.263 13.193 1.00 0.00 H new ATOM 427 N ALA A 25 -5.538 -12.497 8.495 1.00 0.00 N ATOM 428 CA ALA A 25 -6.773 -12.916 7.832 1.00 0.00 C ATOM 429 C ALA A 25 -6.769 -14.414 7.500 1.00 0.00 C ATOM 430 O ALA A 25 -7.596 -15.167 8.020 1.00 0.00 O ATOM 431 CB ALA A 25 -6.977 -12.063 6.569 1.00 0.00 C ATOM 0 H ALA A 25 -4.945 -11.915 7.904 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.608 -12.758 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.896 -12.368 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.048 -11.012 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.132 -12.203 5.895 1.00 0.00 H new ATOM 437 N ARG A 26 -5.847 -14.839 6.622 1.00 0.00 N ATOM 438 CA ARG A 26 -5.737 -16.192 6.030 1.00 0.00 C ATOM 439 C ARG A 26 -7.061 -16.809 5.522 1.00 0.00 C ATOM 440 O ARG A 26 -7.166 -18.028 5.390 1.00 0.00 O ATOM 441 CB ARG A 26 -4.974 -17.101 7.023 1.00 0.00 C ATOM 442 CG ARG A 26 -3.986 -18.079 6.367 1.00 0.00 C ATOM 443 CD ARG A 26 -2.762 -17.344 5.796 1.00 0.00 C ATOM 444 NE ARG A 26 -1.722 -18.286 5.343 1.00 0.00 N ATOM 445 CZ ARG A 26 -0.627 -17.985 4.667 1.00 0.00 C ATOM 446 NH1 ARG A 26 -0.374 -16.775 4.251 1.00 0.00 N ATOM 447 NH2 ARG A 26 0.249 -18.908 4.389 1.00 0.00 N ATOM 0 H ARG A 26 -5.114 -14.216 6.283 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.169 -16.098 5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.429 -16.471 7.726 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.699 -17.672 7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.660 -18.816 7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.489 -18.625 5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.072 -16.715 4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.347 -16.682 6.557 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.862 -19.269 5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.033 -16.021 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.483 -16.583 3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.092 -19.869 4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.092 -18.670 3.867 1.00 0.00 H new ATOM 461 N ASN A 27 -8.063 -15.975 5.222 1.00 0.00 N ATOM 462 CA ASN A 27 -9.429 -16.374 4.857 1.00 0.00 C ATOM 463 C ASN A 27 -9.819 -15.737 3.505 1.00 0.00 C ATOM 464 O ASN A 27 -9.590 -14.536 3.323 1.00 0.00 O ATOM 465 CB ASN A 27 -10.359 -15.950 6.012 1.00 0.00 C ATOM 466 CG ASN A 27 -11.717 -16.631 5.964 1.00 0.00 C ATOM 467 OD1 ASN A 27 -11.827 -17.848 6.020 1.00 0.00 O ATOM 468 ND2 ASN A 27 -12.794 -15.887 5.860 1.00 0.00 N ATOM 0 H ASN A 27 -7.940 -14.962 5.227 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.513 -17.452 4.720 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.877 -16.180 6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.500 -14.870 5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.715 -16.325 5.826 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.710 -14.872 5.813 1.00 0.00 H new ATOM 475 N PRO A 28 -10.385 -16.492 2.540 1.00 0.00 N ATOM 476 CA PRO A 28 -10.428 -16.081 1.133 1.00 0.00 C ATOM 477 C PRO A 28 -11.353 -14.892 0.850 1.00 0.00 C ATOM 478 O PRO A 28 -11.143 -14.183 -0.131 1.00 0.00 O ATOM 479 CB PRO A 28 -10.850 -17.329 0.349 1.00 0.00 C ATOM 480 CG PRO A 28 -11.639 -18.145 1.369 1.00 0.00 C ATOM 481 CD PRO A 28 -10.914 -17.842 2.678 1.00 0.00 C ATOM 0 HA PRO A 28 -9.448 -15.713 0.829 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.460 -17.071 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.986 -17.880 -0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.685 -17.842 1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.623 -19.209 1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.595 -17.909 3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.112 -18.559 2.855 1.00 0.00 H new ATOM 489 N GLU A 29 -12.343 -14.625 1.711 1.00 0.00 N ATOM 490 CA GLU A 29 -13.207 -13.441 1.580 1.00 0.00 C ATOM 491 C GLU A 29 -12.404 -12.147 1.766 1.00 0.00 C ATOM 492 O GLU A 29 -12.388 -11.271 0.900 1.00 0.00 O ATOM 493 CB GLU A 29 -14.359 -13.527 2.596 1.00 0.00 C ATOM 494 CG GLU A 29 -15.510 -12.556 2.297 1.00 0.00 C ATOM 495 CD GLU A 29 -16.312 -12.977 1.047 1.00 0.00 C ATOM 496 OE1 GLU A 29 -17.236 -13.818 1.170 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.030 -12.468 -0.065 1.00 0.00 O ATOM 0 H GLU A 29 -12.568 -15.216 2.511 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.625 -13.421 0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.747 -14.546 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.970 -13.322 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.178 -12.509 3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.109 -11.553 2.150 1.00 0.00 H new ATOM 504 N LYS A 30 -11.649 -12.088 2.867 1.00 0.00 N ATOM 505 CA LYS A 30 -10.681 -11.018 3.153 1.00 0.00 C ATOM 506 C LYS A 30 -9.591 -10.962 2.081 1.00 0.00 C ATOM 507 O LYS A 30 -9.278 -9.880 1.588 1.00 0.00 O ATOM 508 CB LYS A 30 -10.067 -11.156 4.560 1.00 0.00 C ATOM 509 CG LYS A 30 -10.981 -10.655 5.695 1.00 0.00 C ATOM 510 CD LYS A 30 -11.930 -11.730 6.248 1.00 0.00 C ATOM 511 CE LYS A 30 -12.918 -11.183 7.293 1.00 0.00 C ATOM 512 NZ LYS A 30 -12.252 -10.690 8.531 1.00 0.00 N ATOM 0 H LYS A 30 -11.692 -12.795 3.601 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.228 -10.075 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.825 -12.204 4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.129 -10.602 4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.361 -10.278 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.572 -9.815 5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.490 -12.171 5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.341 -12.530 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.493 -10.370 6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.627 -11.967 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.970 -10.335 9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.725 -11.469 8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.595 -9.921 8.289 1.00 0.00 H new ATOM 526 N LYS A 31 -9.080 -12.120 1.648 1.00 0.00 N ATOM 527 CA LYS A 31 -8.088 -12.260 0.559 1.00 0.00 C ATOM 528 C LYS A 31 -8.577 -11.910 -0.860 1.00 0.00 C ATOM 529 O LYS A 31 -7.782 -11.957 -1.797 1.00 0.00 O ATOM 530 CB LYS A 31 -7.434 -13.651 0.631 1.00 0.00 C ATOM 531 CG LYS A 31 -5.904 -13.509 0.646 1.00 0.00 C ATOM 532 CD LYS A 31 -5.208 -14.844 0.915 1.00 0.00 C ATOM 533 CE LYS A 31 -5.257 -15.769 -0.309 1.00 0.00 C ATOM 534 NZ LYS A 31 -4.446 -16.997 -0.099 1.00 0.00 N ATOM 0 H LYS A 31 -9.349 -13.017 2.053 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.341 -11.487 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.768 -14.174 1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.744 -14.253 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.567 -13.111 -0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.614 -12.788 1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.170 -14.663 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.683 -15.337 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.291 -16.046 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.889 -15.235 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.502 -17.599 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.455 -16.733 0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.813 -17.519 0.722 1.00 0.00 H new ATOM 548 N SER A 32 -9.831 -11.476 -1.002 1.00 0.00 N ATOM 549 CA SER A 32 -10.400 -10.832 -2.203 1.00 0.00 C ATOM 550 C SER A 32 -11.066 -9.484 -1.873 1.00 0.00 C ATOM 551 O SER A 32 -11.894 -8.973 -2.628 1.00 0.00 O ATOM 552 CB SER A 32 -11.371 -11.783 -2.917 1.00 0.00 C ATOM 553 OG SER A 32 -10.683 -12.919 -3.422 1.00 0.00 O ATOM 0 H SER A 32 -10.515 -11.565 -0.251 1.00 0.00 H new ATOM 0 HA SER A 32 -9.577 -10.614 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.150 -12.102 -2.225 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.866 -11.259 -3.734 1.00 0.00 H new ATOM 0 HG SER A 32 -11.319 -13.513 -3.872 1.00 0.00 H new ATOM 559 N VAL A 33 -10.663 -8.884 -0.749 1.00 0.00 N ATOM 560 CA VAL A 33 -11.085 -7.568 -0.248 1.00 0.00 C ATOM 561 C VAL A 33 -9.857 -6.683 -0.064 1.00 0.00 C ATOM 562 O VAL A 33 -9.765 -5.652 -0.730 1.00 0.00 O ATOM 563 CB VAL A 33 -11.899 -7.751 1.052 1.00 0.00 C ATOM 564 CG1 VAL A 33 -11.803 -6.602 2.059 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.375 -7.982 0.716 1.00 0.00 C ATOM 0 H VAL A 33 -9.992 -9.330 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.737 -7.068 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.448 -8.616 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.411 -6.833 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.765 -6.471 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.165 -5.683 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.942 -8.110 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.762 -7.123 0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.473 -8.878 0.102 1.00 0.00 H new ATOM 575 N LEU A 34 -8.849 -7.111 0.714 1.00 0.00 N ATOM 576 CA LEU A 34 -7.595 -6.376 0.824 1.00 0.00 C ATOM 577 C LEU A 34 -6.810 -6.424 -0.501 1.00 0.00 C ATOM 578 O LEU A 34 -6.014 -5.534 -0.770 1.00 0.00 O ATOM 579 CB LEU A 34 -6.830 -6.822 2.091 1.00 0.00 C ATOM 580 CG LEU A 34 -5.741 -7.871 1.874 1.00 0.00 C ATOM 581 CD1 LEU A 34 -4.834 -8.062 3.090 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.257 -9.252 1.492 1.00 0.00 C ATOM 0 H LEU A 34 -8.886 -7.963 1.273 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.781 -5.312 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.375 -5.942 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.550 -7.216 2.808 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.182 -7.451 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.083 -8.820 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.339 -7.120 3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.432 -8.382 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.415 -9.931 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.906 -9.630 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.820 -9.185 0.561 1.00 0.00 H new ATOM 594 N GLN A 35 -7.081 -7.412 -1.366 1.00 0.00 N ATOM 595 CA GLN A 35 -6.455 -7.554 -2.682 1.00 0.00 C ATOM 596 C GLN A 35 -6.830 -6.415 -3.644 1.00 0.00 C ATOM 597 O GLN A 35 -6.009 -5.998 -4.458 1.00 0.00 O ATOM 598 CB GLN A 35 -6.851 -8.919 -3.275 1.00 0.00 C ATOM 599 CG GLN A 35 -5.680 -9.636 -3.965 1.00 0.00 C ATOM 600 CD GLN A 35 -4.648 -10.225 -2.993 1.00 0.00 C ATOM 601 OE1 GLN A 35 -4.584 -9.915 -1.811 1.00 0.00 O ATOM 602 NE2 GLN A 35 -3.788 -11.106 -3.458 1.00 0.00 N ATOM 0 H GLN A 35 -7.756 -8.149 -1.163 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.374 -7.498 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.242 -9.555 -2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.657 -8.776 -3.994 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.075 -10.438 -4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.178 -8.933 -4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.820 -11.381 -4.440 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.089 -11.514 -2.837 1.00 0.00 H new ATOM 611 N LYS A 36 -8.058 -5.885 -3.535 1.00 0.00 N ATOM 612 CA LYS A 36 -8.562 -4.781 -4.372 1.00 0.00 C ATOM 613 C LYS A 36 -7.938 -3.445 -3.982 1.00 0.00 C ATOM 614 O LYS A 36 -7.535 -2.679 -4.854 1.00 0.00 O ATOM 615 CB LYS A 36 -10.094 -4.696 -4.249 1.00 0.00 C ATOM 616 CG LYS A 36 -10.814 -5.939 -4.795 1.00 0.00 C ATOM 617 CD LYS A 36 -12.289 -5.943 -4.369 1.00 0.00 C ATOM 618 CE LYS A 36 -13.000 -7.162 -4.968 1.00 0.00 C ATOM 619 NZ LYS A 36 -14.325 -7.386 -4.337 1.00 0.00 N ATOM 0 H LYS A 36 -8.741 -6.215 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.283 -4.989 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.361 -4.560 -3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.447 -3.815 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.744 -5.957 -5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.322 -6.840 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.363 -5.966 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.776 -5.027 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.127 -7.019 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.379 -8.048 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.778 -8.218 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.201 -7.547 -3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.926 -6.550 -4.485 1.00 0.00 H new ATOM 633 N ILE A 37 -7.782 -3.209 -2.675 1.00 0.00 N ATOM 634 CA ILE A 37 -6.908 -2.153 -2.159 1.00 0.00 C ATOM 635 C ILE A 37 -5.478 -2.404 -2.643 1.00 0.00 C ATOM 636 O ILE A 37 -4.919 -1.517 -3.256 1.00 0.00 O ATOM 637 CB ILE A 37 -6.985 -2.100 -0.618 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.294 -1.511 -0.047 1.00 0.00 C ATOM 639 CG2 ILE A 37 -5.793 -1.318 -0.041 1.00 0.00 C ATOM 640 CD1 ILE A 37 -9.039 -2.492 0.865 1.00 0.00 C ATOM 0 H ILE A 37 -8.257 -3.744 -1.948 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.236 -1.184 -2.535 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.958 -3.145 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.065 -0.604 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.946 -1.221 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.867 -1.293 1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.863 -1.807 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.804 -0.300 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.950 -2.023 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.296 -3.389 0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.401 -2.762 1.707 1.00 0.00 H new ATOM 652 N LEU A 38 -4.879 -3.584 -2.458 1.00 0.00 N ATOM 653 CA LEU A 38 -3.493 -3.835 -2.878 1.00 0.00 C ATOM 654 C LEU A 38 -3.249 -3.548 -4.373 1.00 0.00 C ATOM 655 O LEU A 38 -2.226 -2.946 -4.703 1.00 0.00 O ATOM 656 CB LEU A 38 -3.073 -5.265 -2.492 1.00 0.00 C ATOM 657 CG LEU A 38 -2.754 -5.439 -0.993 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.628 -6.920 -0.643 1.00 0.00 C ATOM 659 CD2 LEU A 38 -1.432 -4.767 -0.629 1.00 0.00 C ATOM 0 H LEU A 38 -5.333 -4.385 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.860 -3.128 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.872 -5.954 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.196 -5.546 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.571 -4.979 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.403 -7.025 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.566 -7.428 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.825 -7.366 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.234 -4.906 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.625 -5.213 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.492 -3.701 -0.850 1.00 0.00 H new ATOM 671 N GLU A 39 -4.192 -3.871 -5.267 1.00 0.00 N ATOM 672 CA GLU A 39 -4.093 -3.507 -6.691 1.00 0.00 C ATOM 673 C GLU A 39 -4.114 -1.987 -6.940 1.00 0.00 C ATOM 674 O GLU A 39 -3.471 -1.494 -7.869 1.00 0.00 O ATOM 675 CB GLU A 39 -5.216 -4.197 -7.493 1.00 0.00 C ATOM 676 CG GLU A 39 -4.642 -5.089 -8.598 1.00 0.00 C ATOM 677 CD GLU A 39 -5.764 -5.794 -9.383 1.00 0.00 C ATOM 678 OE1 GLU A 39 -6.353 -5.173 -10.303 1.00 0.00 O ATOM 679 OE2 GLU A 39 -6.059 -6.982 -9.102 1.00 0.00 O ATOM 0 H GLU A 39 -5.039 -4.387 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.120 -3.859 -7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.830 -4.796 -6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.868 -3.443 -7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.041 -4.487 -9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.978 -5.834 -8.160 1.00 0.00 H new ATOM 686 N ASP A 40 -4.813 -1.236 -6.089 1.00 0.00 N ATOM 687 CA ASP A 40 -4.859 0.220 -6.057 1.00 0.00 C ATOM 688 C ASP A 40 -3.673 0.856 -5.313 1.00 0.00 C ATOM 689 O ASP A 40 -3.353 2.019 -5.548 1.00 0.00 O ATOM 690 CB ASP A 40 -6.145 0.611 -5.313 1.00 0.00 C ATOM 691 CG ASP A 40 -7.407 0.789 -6.169 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.383 0.604 -7.410 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.445 1.123 -5.550 1.00 0.00 O ATOM 0 H ASP A 40 -5.395 -1.655 -5.363 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.822 0.580 -7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.348 -0.151 -4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.960 1.544 -4.780 1.00 0.00 H new ATOM 698 N GLU A 41 -3.008 0.142 -4.404 1.00 0.00 N ATOM 699 CA GLU A 41 -2.161 0.746 -3.380 1.00 0.00 C ATOM 700 C GLU A 41 -0.687 0.548 -3.783 1.00 0.00 C ATOM 701 O GLU A 41 0.156 1.408 -3.530 1.00 0.00 O ATOM 702 CB GLU A 41 -2.623 0.117 -2.052 1.00 0.00 C ATOM 703 CG GLU A 41 -2.360 0.838 -0.739 1.00 0.00 C ATOM 704 CD GLU A 41 -3.127 2.155 -0.644 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.704 3.162 -1.263 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.183 2.237 0.040 1.00 0.00 O ATOM 0 H GLU A 41 -3.043 -0.876 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.248 1.826 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.699 -0.042 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.160 -0.867 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.644 0.192 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.292 1.033 -0.640 1.00 0.00 H new ATOM 713 N GLU A 42 -0.431 -0.478 -4.607 1.00 0.00 N ATOM 714 CA GLU A 42 0.644 -0.524 -5.602 1.00 0.00 C ATOM 715 C GLU A 42 0.590 0.656 -6.602 1.00 0.00 C ATOM 716 O GLU A 42 1.621 1.251 -6.928 1.00 0.00 O ATOM 717 CB GLU A 42 0.520 -1.862 -6.363 1.00 0.00 C ATOM 718 CG GLU A 42 1.785 -2.164 -7.176 1.00 0.00 C ATOM 719 CD GLU A 42 1.612 -3.418 -8.055 1.00 0.00 C ATOM 720 OE1 GLU A 42 1.731 -4.555 -7.533 1.00 0.00 O ATOM 721 OE2 GLU A 42 1.377 -3.278 -9.279 1.00 0.00 O ATOM 0 H GLU A 42 -0.990 -1.331 -4.596 1.00 0.00 H new ATOM 0 HA GLU A 42 1.600 -0.442 -5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.340 -2.670 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.342 -1.825 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.025 -1.308 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.627 -2.308 -6.499 1.00 0.00 H new ATOM 728 N LYS A 43 -0.613 1.012 -7.083 1.00 0.00 N ATOM 729 CA LYS A 43 -0.824 2.020 -8.142 1.00 0.00 C ATOM 730 C LYS A 43 -0.351 3.413 -7.722 1.00 0.00 C ATOM 731 O LYS A 43 0.293 4.113 -8.499 1.00 0.00 O ATOM 732 CB LYS A 43 -2.314 2.058 -8.550 1.00 0.00 C ATOM 733 CG LYS A 43 -2.548 2.264 -10.053 1.00 0.00 C ATOM 734 CD LYS A 43 -2.335 0.966 -10.852 1.00 0.00 C ATOM 735 CE LYS A 43 -2.608 1.138 -12.353 1.00 0.00 C ATOM 736 NZ LYS A 43 -4.051 1.361 -12.653 1.00 0.00 N ATOM 0 H LYS A 43 -1.483 0.602 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.220 1.722 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.787 1.125 -8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.809 2.860 -8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.563 2.628 -10.216 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.870 3.033 -10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.310 0.622 -10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.989 0.189 -10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.028 1.981 -12.729 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.263 0.251 -12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.184 1.437 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.609 0.562 -12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.368 2.240 -12.197 1.00 0.00 H new ATOM 750 N HIS A 44 -0.611 3.806 -6.474 1.00 0.00 N ATOM 751 CA HIS A 44 -0.200 5.070 -5.904 1.00 0.00 C ATOM 752 C HIS A 44 1.319 5.197 -5.824 1.00 0.00 C ATOM 753 O HIS A 44 1.848 6.255 -6.142 1.00 0.00 O ATOM 754 CB HIS A 44 -0.842 5.127 -4.520 1.00 0.00 C ATOM 755 CG HIS A 44 -2.352 5.132 -4.502 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.152 4.982 -3.354 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.155 5.222 -5.602 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.422 4.950 -3.830 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.443 5.092 -5.164 1.00 0.00 N ATOM 0 H HIS A 44 -1.132 3.225 -5.817 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.521 5.903 -6.529 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.492 4.272 -3.941 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.487 6.023 -4.011 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.846 4.913 -2.383 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.834 5.368 -6.623 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.301 4.826 -3.215 1.00 0.00 H new ATOM 767 N ILE A 45 2.022 4.120 -5.461 1.00 0.00 N ATOM 768 CA ILE A 45 3.491 4.066 -5.438 1.00 0.00 C ATOM 769 C ILE A 45 4.087 4.263 -6.840 1.00 0.00 C ATOM 770 O ILE A 45 5.063 4.998 -6.972 1.00 0.00 O ATOM 771 CB ILE A 45 3.957 2.763 -4.729 1.00 0.00 C ATOM 772 CG1 ILE A 45 4.219 3.010 -3.226 1.00 0.00 C ATOM 773 CG2 ILE A 45 5.230 2.142 -5.333 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.973 3.358 -2.403 1.00 0.00 C ATOM 0 H ILE A 45 1.582 3.247 -5.170 1.00 0.00 H new ATOM 0 HA ILE A 45 3.877 4.900 -4.852 1.00 0.00 H new ATOM 0 HB ILE A 45 3.135 2.062 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.680 2.118 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.941 3.821 -3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.490 1.237 -4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.052 1.893 -6.379 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.051 2.856 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.256 3.513 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.520 4.268 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.256 2.540 -2.465 1.00 0.00 H new ATOM 786 N GLU A 46 3.490 3.702 -7.898 1.00 0.00 N ATOM 787 CA GLU A 46 3.916 3.970 -9.277 1.00 0.00 C ATOM 788 C GLU A 46 3.807 5.459 -9.641 1.00 0.00 C ATOM 789 O GLU A 46 4.743 6.029 -10.202 1.00 0.00 O ATOM 790 CB GLU A 46 3.092 3.122 -10.259 1.00 0.00 C ATOM 791 CG GLU A 46 3.567 1.670 -10.378 1.00 0.00 C ATOM 792 CD GLU A 46 4.879 1.564 -11.180 1.00 0.00 C ATOM 793 OE1 GLU A 46 4.832 1.577 -12.435 1.00 0.00 O ATOM 794 OE2 GLU A 46 5.968 1.460 -10.565 1.00 0.00 O ATOM 0 H GLU A 46 2.705 3.055 -7.824 1.00 0.00 H new ATOM 0 HA GLU A 46 4.968 3.695 -9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.049 3.128 -9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.128 3.587 -11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.714 1.252 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.795 1.073 -10.863 1.00 0.00 H new ATOM 801 N TRP A 47 2.698 6.113 -9.282 1.00 0.00 N ATOM 802 CA TRP A 47 2.464 7.527 -9.569 1.00 0.00 C ATOM 803 C TRP A 47 3.381 8.436 -8.739 1.00 0.00 C ATOM 804 O TRP A 47 3.979 9.371 -9.269 1.00 0.00 O ATOM 805 CB TRP A 47 0.998 7.853 -9.277 1.00 0.00 C ATOM 806 CG TRP A 47 -0.069 7.043 -9.958 1.00 0.00 C ATOM 807 CD1 TRP A 47 0.076 6.189 -10.999 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.485 6.994 -9.612 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.140 5.599 -11.292 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.142 6.060 -10.463 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.274 7.650 -8.648 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.514 5.782 -10.346 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.651 7.385 -8.515 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.269 6.444 -9.358 1.00 0.00 C ATOM 0 H TRP A 47 1.930 5.668 -8.778 1.00 0.00 H new ATOM 0 HA TRP A 47 2.691 7.710 -10.619 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.847 7.762 -8.201 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.834 8.899 -9.535 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.002 5.998 -11.522 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.279 4.908 -12.030 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.812 8.375 -7.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.985 5.069 -11.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.232 7.904 -7.767 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.322 6.229 -9.248 1.00 0.00 H new ATOM 825 N LEU A 48 3.548 8.124 -7.451 1.00 0.00 N ATOM 826 CA LEU A 48 4.505 8.750 -6.538 1.00 0.00 C ATOM 827 C LEU A 48 5.933 8.712 -7.093 1.00 0.00 C ATOM 828 O LEU A 48 6.642 9.717 -7.049 1.00 0.00 O ATOM 829 CB LEU A 48 4.417 8.011 -5.188 1.00 0.00 C ATOM 830 CG LEU A 48 3.286 8.501 -4.271 1.00 0.00 C ATOM 831 CD1 LEU A 48 3.030 7.488 -3.156 1.00 0.00 C ATOM 832 CD2 LEU A 48 3.633 9.834 -3.602 1.00 0.00 C ATOM 0 H LEU A 48 2.995 7.396 -6.998 1.00 0.00 H new ATOM 0 HA LEU A 48 4.255 9.804 -6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.279 6.947 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.367 8.121 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 48 2.406 8.624 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.226 7.849 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.744 6.531 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.937 7.361 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.807 10.146 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.534 9.715 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.805 10.591 -4.367 1.00 0.00 H new ATOM 844 N GLU A 49 6.337 7.582 -7.676 1.00 0.00 N ATOM 845 CA GLU A 49 7.624 7.451 -8.373 1.00 0.00 C ATOM 846 C GLU A 49 7.709 8.307 -9.644 1.00 0.00 C ATOM 847 O GLU A 49 8.750 8.914 -9.894 1.00 0.00 O ATOM 848 CB GLU A 49 7.921 5.986 -8.732 1.00 0.00 C ATOM 849 CG GLU A 49 9.390 5.646 -8.439 1.00 0.00 C ATOM 850 CD GLU A 49 9.760 4.228 -8.915 1.00 0.00 C ATOM 851 OE1 GLU A 49 10.046 4.049 -10.126 1.00 0.00 O ATOM 852 OE2 GLU A 49 9.809 3.289 -8.084 1.00 0.00 O ATOM 0 H GLU A 49 5.781 6.727 -7.680 1.00 0.00 H new ATOM 0 HA GLU A 49 8.374 7.817 -7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.268 5.326 -8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.705 5.813 -9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.036 6.374 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.575 5.729 -7.368 1.00 0.00 H new ATOM 859 N THR A 50 6.627 8.414 -10.429 1.00 0.00 N ATOM 860 CA THR A 50 6.588 9.285 -11.610 1.00 0.00 C ATOM 861 C THR A 50 6.705 10.770 -11.239 1.00 0.00 C ATOM 862 O THR A 50 7.273 11.564 -11.991 1.00 0.00 O ATOM 863 CB THR A 50 5.303 8.994 -12.399 1.00 0.00 C ATOM 864 OG1 THR A 50 5.307 7.662 -12.873 1.00 0.00 O ATOM 865 CG2 THR A 50 5.125 9.878 -13.619 1.00 0.00 C ATOM 0 H THR A 50 5.760 7.902 -10.264 1.00 0.00 H new ATOM 0 HA THR A 50 7.453 9.068 -12.237 1.00 0.00 H new ATOM 0 HB THR A 50 4.492 9.185 -11.696 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.142 7.049 -12.127 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.197 9.615 -14.126 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.086 10.922 -13.309 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.964 9.732 -14.299 1.00 0.00 H new ATOM 873 N ILE A 51 6.213 11.137 -10.054 1.00 0.00 N ATOM 874 CA ILE A 51 6.234 12.502 -9.503 1.00 0.00 C ATOM 875 C ILE A 51 7.553 12.856 -8.784 1.00 0.00 C ATOM 876 O ILE A 51 7.867 14.033 -8.594 1.00 0.00 O ATOM 877 CB ILE A 51 4.941 12.717 -8.662 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.808 13.327 -9.519 1.00 0.00 C ATOM 879 CG2 ILE A 51 5.092 13.626 -7.438 1.00 0.00 C ATOM 880 CD1 ILE A 51 3.248 12.384 -10.583 1.00 0.00 C ATOM 0 H ILE A 51 5.771 10.468 -9.424 1.00 0.00 H new ATOM 0 HA ILE A 51 6.221 13.225 -10.319 1.00 0.00 H new ATOM 0 HB ILE A 51 4.709 11.711 -8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.996 13.636 -8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.182 14.227 -10.008 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.134 13.708 -6.925 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.832 13.202 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.418 14.616 -7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.458 12.890 -11.139 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.045 12.094 -11.268 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.841 11.494 -10.103 1.00 0.00 H new ATOM 892 N ASN A 52 8.352 11.851 -8.433 1.00 0.00 N ATOM 893 CA ASN A 52 9.651 11.991 -7.757 1.00 0.00 C ATOM 894 C ASN A 52 10.687 12.780 -8.601 1.00 0.00 C ATOM 895 O ASN A 52 10.641 12.774 -9.838 1.00 0.00 O ATOM 896 CB ASN A 52 10.149 10.585 -7.358 1.00 0.00 C ATOM 897 CG ASN A 52 11.126 10.566 -6.189 1.00 0.00 C ATOM 898 OD1 ASN A 52 11.758 11.548 -5.831 1.00 0.00 O ATOM 899 ND2 ASN A 52 11.259 9.442 -5.522 1.00 0.00 N ATOM 0 H ASN A 52 8.108 10.878 -8.616 1.00 0.00 H new ATOM 0 HA ASN A 52 9.522 12.592 -6.857 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.287 9.967 -7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.628 10.125 -8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.884 9.398 -4.717 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.738 8.614 -5.809 1.00 0.00 H new ATOM 967 N LEU B 4 -7.292 -3.785 12.351 1.00 0.00 N ATOM 968 CA LEU B 4 -8.313 -2.968 11.679 1.00 0.00 C ATOM 969 C LEU B 4 -8.154 -1.453 11.872 1.00 0.00 C ATOM 970 O LEU B 4 -7.825 -0.778 10.896 1.00 0.00 O ATOM 971 CB LEU B 4 -9.736 -3.532 11.906 1.00 0.00 C ATOM 972 CG LEU B 4 -10.073 -4.159 13.276 1.00 0.00 C ATOM 973 CD1 LEU B 4 -10.180 -3.144 14.415 1.00 0.00 C ATOM 974 CD2 LEU B 4 -11.408 -4.899 13.185 1.00 0.00 C ATOM 0 HA LEU B 4 -8.135 -3.066 10.608 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.445 -2.723 11.729 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.918 -4.288 11.142 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.245 -4.829 13.507 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -10.419 -3.663 15.343 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -9.231 -2.620 14.526 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -10.967 -2.425 14.189 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -11.645 -5.341 14.152 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -12.194 -4.198 12.904 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -11.337 -5.686 12.434 1.00 0.00 H new ATOM 986 N ARG B 5 -8.269 -0.906 13.092 1.00 0.00 N ATOM 987 CA ARG B 5 -7.940 0.513 13.350 1.00 0.00 C ATOM 988 C ARG B 5 -6.505 0.852 12.958 1.00 0.00 C ATOM 989 O ARG B 5 -6.264 1.923 12.409 1.00 0.00 O ATOM 990 CB ARG B 5 -8.187 0.908 14.820 1.00 0.00 C ATOM 991 CG ARG B 5 -9.585 1.508 15.029 1.00 0.00 C ATOM 992 CD ARG B 5 -9.692 2.153 16.417 1.00 0.00 C ATOM 993 NE ARG B 5 -10.925 2.957 16.541 1.00 0.00 N ATOM 994 CZ ARG B 5 -11.989 2.711 17.286 1.00 0.00 C ATOM 995 NH1 ARG B 5 -12.093 1.645 18.028 1.00 0.00 N ATOM 996 NH2 ARG B 5 -12.984 3.549 17.299 1.00 0.00 N ATOM 0 H ARG B 5 -8.586 -1.418 13.915 1.00 0.00 H new ATOM 0 HA ARG B 5 -8.614 1.094 12.720 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -8.071 0.030 15.455 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -7.433 1.630 15.133 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -9.786 2.253 14.259 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -10.341 0.729 14.924 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -9.682 1.377 17.183 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -8.823 2.786 16.594 1.00 0.00 H new ATOM 0 HE ARG B 5 -10.960 3.809 15.981 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -11.336 0.962 18.049 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -12.932 1.493 18.588 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -12.944 4.397 16.734 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -13.804 3.358 17.874 1.00 0.00 H new ATOM 1010 N GLU B 6 -5.570 -0.068 13.195 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.148 0.118 12.888 1.00 0.00 C ATOM 1012 C GLU B 6 -3.905 0.440 11.402 1.00 0.00 C ATOM 1013 O GLU B 6 -3.176 1.380 11.077 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.371 -1.123 13.370 1.00 0.00 C ATOM 1015 CG GLU B 6 -1.871 -0.838 13.513 1.00 0.00 C ATOM 1016 CD GLU B 6 -1.192 -1.859 14.449 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -0.847 -2.978 13.999 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -0.990 -1.539 15.646 1.00 0.00 O ATOM 0 H GLU B 6 -5.779 -0.976 13.611 1.00 0.00 H new ATOM 0 HA GLU B 6 -3.776 0.992 13.423 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.771 -1.452 14.329 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.520 -1.941 12.665 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.398 -0.870 12.532 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.726 0.169 13.904 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.585 -0.283 10.507 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.579 -0.064 9.065 1.00 0.00 C ATOM 1027 C LEU B 7 -5.320 1.218 8.672 1.00 0.00 C ATOM 1028 O LEU B 7 -4.719 2.105 8.071 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.221 -1.297 8.405 1.00 0.00 C ATOM 1030 CG LEU B 7 -4.232 -2.463 8.272 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -3.740 -3.069 9.587 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -4.852 -3.568 7.424 1.00 0.00 C ATOM 0 H LEU B 7 -5.177 -1.067 10.782 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.553 0.066 8.721 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.080 -1.617 8.995 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.595 -1.025 7.418 1.00 0.00 H new ATOM 0 HG LEU B 7 -3.351 -2.027 7.801 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -3.047 -3.884 9.376 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -3.232 -2.303 10.173 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.590 -3.453 10.151 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.147 -4.394 7.331 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -5.766 -3.922 7.900 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.086 -3.178 6.433 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.599 1.328 9.045 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.518 2.442 8.742 1.00 0.00 C ATOM 1046 C TYR B 8 -6.924 3.798 9.110 1.00 0.00 C ATOM 1047 O TYR B 8 -7.005 4.742 8.329 1.00 0.00 O ATOM 1048 CB TYR B 8 -8.785 2.198 9.593 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.131 2.728 9.124 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.303 4.077 8.753 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.255 1.877 9.183 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.583 4.559 8.416 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.536 2.357 8.845 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.702 3.703 8.456 1.00 0.00 C ATOM 1055 OH TYR B 8 -13.931 4.194 8.149 1.00 0.00 O ATOM 0 H TYR B 8 -7.052 0.602 9.599 1.00 0.00 H new ATOM 0 HA TYR B 8 -7.725 2.468 7.672 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -8.888 1.120 9.720 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.598 2.619 10.581 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.452 4.742 8.727 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.132 0.849 9.490 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -11.708 5.592 8.125 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.389 1.696 8.884 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.597 3.479 8.222 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.314 3.904 10.294 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.763 5.173 10.784 1.00 0.00 C ATOM 1067 C LYS B 9 -4.590 5.672 9.945 1.00 0.00 C ATOM 1068 O LYS B 9 -4.589 6.837 9.569 1.00 0.00 O ATOM 1069 CB LYS B 9 -5.420 5.065 12.282 1.00 0.00 C ATOM 1070 CG LYS B 9 -5.351 6.422 13.002 1.00 0.00 C ATOM 1071 CD LYS B 9 -6.745 7.038 13.211 1.00 0.00 C ATOM 1072 CE LYS B 9 -6.654 8.303 14.073 1.00 0.00 C ATOM 1073 NZ LYS B 9 -8.002 8.856 14.373 1.00 0.00 N ATOM 0 H LYS B 9 -6.188 3.121 10.936 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.535 5.935 10.673 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -6.168 4.442 12.772 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -4.461 4.558 12.390 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -4.863 6.295 13.968 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -4.735 7.109 12.422 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -7.189 7.281 12.246 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -7.401 6.311 13.690 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -6.138 8.073 15.005 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -6.058 9.055 13.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -7.904 9.711 14.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -8.484 9.098 13.484 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -8.562 8.147 14.888 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.645 4.811 9.572 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.575 5.137 8.630 1.00 0.00 C ATOM 1089 C LEU B 10 -3.077 5.364 7.195 1.00 0.00 C ATOM 1090 O LEU B 10 -2.651 6.318 6.543 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.468 4.072 8.702 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.448 4.416 9.805 1.00 0.00 C ATOM 1093 CD1 LEU B 10 0.380 3.190 10.170 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.513 5.521 9.356 1.00 0.00 C ATOM 0 H LEU B 10 -3.600 3.853 9.920 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.153 6.095 8.933 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -1.909 3.095 8.900 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.960 4.003 7.740 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.019 4.760 10.668 1.00 0.00 H new ATOM 0 HD11 LEU B 10 1.094 3.453 10.950 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.279 2.401 10.532 1.00 0.00 H new ATOM 0 HD13 LEU B 10 0.917 2.839 9.289 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.218 5.738 10.158 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.059 5.191 8.472 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -0.054 6.421 9.118 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.052 4.569 6.744 1.00 0.00 N ATOM 1107 CA GLU B 11 -4.874 4.847 5.557 1.00 0.00 C ATOM 1108 C GLU B 11 -5.474 6.270 5.610 1.00 0.00 C ATOM 1109 O GLU B 11 -5.470 6.959 4.588 1.00 0.00 O ATOM 1110 CB GLU B 11 -5.937 3.719 5.412 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.564 2.567 4.455 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.671 2.857 2.944 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -4.883 3.536 2.268 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.425 2.283 2.131 1.00 0.00 O ATOM 0 H GLU B 11 -4.299 3.693 7.204 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.259 4.838 4.657 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.131 3.299 6.399 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -6.869 4.166 5.067 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.540 2.264 4.671 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.204 1.715 4.684 1.00 0.00 H new ATOM 1121 N GLN B 12 -5.877 6.782 6.786 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.349 8.153 6.956 1.00 0.00 C ATOM 1123 C GLN B 12 -5.281 9.224 7.175 1.00 0.00 C ATOM 1124 O GLN B 12 -5.499 10.370 6.793 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.401 8.221 8.062 1.00 0.00 C ATOM 1126 CG GLN B 12 -8.724 7.650 7.555 1.00 0.00 C ATOM 1127 CD GLN B 12 -9.860 7.819 8.563 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -9.720 7.587 9.757 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.028 8.249 8.132 1.00 0.00 N ATOM 0 H GLN B 12 -5.881 6.242 7.652 1.00 0.00 H new ATOM 0 HA GLN B 12 -6.780 8.403 5.987 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.063 7.660 8.933 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -7.539 9.254 8.382 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -8.995 8.143 6.622 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.597 6.591 7.331 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.164 8.448 7.141 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -11.796 8.383 8.789 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.118 8.896 7.725 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.007 9.854 7.833 1.00 0.00 C ATOM 1140 C GLN B 13 -2.440 10.214 6.456 1.00 0.00 C ATOM 1141 O GLN B 13 -2.131 11.383 6.224 1.00 0.00 O ATOM 1142 CB GLN B 13 -1.896 9.354 8.767 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.340 9.316 10.239 1.00 0.00 C ATOM 1144 CD GLN B 13 -1.152 9.374 11.198 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -0.270 8.529 11.202 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -1.081 10.380 12.049 1.00 0.00 N ATOM 0 H GLN B 13 -3.912 7.973 8.106 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.420 10.760 8.277 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -1.587 8.355 8.458 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.025 10.002 8.670 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.007 10.154 10.438 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -2.909 8.405 10.422 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -1.810 11.093 12.057 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -0.297 10.444 12.698 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.399 9.265 5.513 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.110 9.579 4.116 1.00 0.00 C ATOM 1157 C ALA B 14 -3.243 10.411 3.500 1.00 0.00 C ATOM 1158 O ALA B 14 -2.959 11.377 2.804 1.00 0.00 O ATOM 1159 CB ALA B 14 -1.883 8.267 3.352 1.00 0.00 C ATOM 0 H ALA B 14 -2.563 8.275 5.696 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.206 10.184 4.050 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.666 8.487 2.307 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.042 7.731 3.792 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.779 7.650 3.414 1.00 0.00 H new ATOM 1165 N MET B 15 -4.513 10.111 3.806 1.00 0.00 N ATOM 1166 CA MET B 15 -5.671 10.902 3.317 1.00 0.00 C ATOM 1167 C MET B 15 -5.647 12.357 3.800 1.00 0.00 C ATOM 1168 O MET B 15 -5.985 13.271 3.049 1.00 0.00 O ATOM 1169 CB MET B 15 -7.016 10.296 3.758 1.00 0.00 C ATOM 1170 CG MET B 15 -7.374 8.957 3.105 1.00 0.00 C ATOM 1171 SD MET B 15 -8.667 9.076 1.844 1.00 0.00 S ATOM 1172 CE MET B 15 -7.811 10.110 0.631 1.00 0.00 C ATOM 0 H MET B 15 -4.775 9.320 4.395 1.00 0.00 H new ATOM 0 HA MET B 15 -5.580 10.875 2.231 1.00 0.00 H new ATOM 0 HB2 MET B 15 -6.998 10.161 4.839 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.808 11.012 3.539 1.00 0.00 H new ATOM 0 HG2 MET B 15 -6.477 8.534 2.652 1.00 0.00 H new ATOM 0 HG3 MET B 15 -7.699 8.262 3.879 1.00 0.00 H new ATOM 0 HE1 MET B 15 -8.278 9.987 -0.346 1.00 0.00 H new ATOM 0 HE2 MET B 15 -7.874 11.155 0.935 1.00 0.00 H new ATOM 0 HE3 MET B 15 -6.764 9.812 0.573 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.236 12.591 5.046 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.137 13.934 5.629 1.00 0.00 C ATOM 1184 C LYS B 16 -3.982 14.733 5.038 1.00 0.00 C ATOM 1185 O LYS B 16 -4.139 15.910 4.712 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.023 13.803 7.149 1.00 0.00 C ATOM 1187 CG LYS B 16 -5.847 14.887 7.874 1.00 0.00 C ATOM 1188 CD LYS B 16 -6.512 14.372 9.157 1.00 0.00 C ATOM 1189 CE LYS B 16 -7.643 13.371 8.859 1.00 0.00 C ATOM 1190 NZ LYS B 16 -8.362 12.966 10.097 1.00 0.00 N ATOM 0 H LYS B 16 -4.959 11.848 5.688 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.038 14.495 5.383 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -5.368 12.816 7.457 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -3.977 13.882 7.444 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -5.197 15.727 8.119 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -6.615 15.265 7.199 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -5.762 13.894 9.787 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -6.913 15.214 9.721 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -8.349 13.818 8.158 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -7.228 12.487 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -9.116 12.292 9.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -7.694 12.517 10.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -8.779 13.806 10.547 1.00 0.00 H new ATOM 1204 N LEU B 17 -2.858 14.054 4.810 1.00 0.00 N ATOM 1205 CA LEU B 17 -1.750 14.568 4.009 1.00 0.00 C ATOM 1206 C LEU B 17 -2.199 14.924 2.582 1.00 0.00 C ATOM 1207 O LEU B 17 -1.964 16.040 2.131 1.00 0.00 O ATOM 1208 CB LEU B 17 -0.622 13.522 4.037 1.00 0.00 C ATOM 1209 CG LEU B 17 0.491 13.892 5.028 1.00 0.00 C ATOM 1210 CD1 LEU B 17 1.430 12.706 5.193 1.00 0.00 C ATOM 1211 CD2 LEU B 17 1.327 15.081 4.551 1.00 0.00 C ATOM 0 H LEU B 17 -2.690 13.119 5.182 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.379 15.502 4.431 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.037 12.551 4.306 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.198 13.422 3.038 1.00 0.00 H new ATOM 0 HG LEU B 17 0.006 14.161 5.966 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.222 12.964 5.896 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.872 11.850 5.573 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.869 12.453 4.228 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.100 15.301 5.288 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.794 14.838 3.597 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.684 15.952 4.428 1.00 0.00 H new ATOM 1223 N TYR B 18 -2.927 14.026 1.916 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.603 14.260 0.628 1.00 0.00 C ATOM 1225 C TYR B 18 -4.551 15.483 0.604 1.00 0.00 C ATOM 1226 O TYR B 18 -4.513 16.250 -0.361 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.336 12.971 0.200 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.513 11.985 -0.614 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -2.934 12.394 -1.828 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.319 10.663 -0.167 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -2.070 11.533 -2.531 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.449 9.797 -0.856 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.787 10.249 -2.019 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.881 9.450 -2.644 1.00 0.00 O ATOM 0 H TYR B 18 -3.070 13.079 2.267 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.824 14.512 -0.092 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -4.695 12.464 1.096 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.214 13.250 -0.382 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.153 13.375 -2.224 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.841 10.312 0.710 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.625 11.855 -3.461 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.288 8.791 -0.497 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.805 8.601 -2.160 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.365 15.725 1.646 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.209 16.940 1.744 1.00 0.00 C ATOM 1246 C ARG B 19 -5.388 18.230 1.814 1.00 0.00 C ATOM 1247 O ARG B 19 -5.731 19.211 1.156 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.154 16.878 2.959 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.347 15.932 2.752 1.00 0.00 C ATOM 1250 CD ARG B 19 -9.326 15.985 3.936 1.00 0.00 C ATOM 1251 NE ARG B 19 -10.021 17.289 4.041 1.00 0.00 N ATOM 1252 CZ ARG B 19 -11.140 17.658 3.438 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -11.793 16.865 2.634 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -11.632 18.847 3.631 1.00 0.00 N ATOM 0 H ARG B 19 -5.460 15.093 2.441 1.00 0.00 H new ATOM 0 HA ARG B 19 -6.797 16.960 0.826 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -6.590 16.554 3.834 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -7.526 17.880 3.173 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -8.870 16.201 1.835 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -7.985 14.912 2.624 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -10.065 15.191 3.828 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -8.783 15.791 4.861 1.00 0.00 H new ATOM 0 HE ARG B 19 -9.587 17.983 4.649 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -11.444 15.924 2.452 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -12.652 17.186 2.188 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -11.155 19.502 4.251 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -12.495 19.124 3.163 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.300 18.237 2.582 1.00 0.00 N ATOM 1269 CA GLU B 20 -3.429 19.418 2.725 1.00 0.00 C ATOM 1270 C GLU B 20 -2.585 19.662 1.475 1.00 0.00 C ATOM 1271 O GLU B 20 -2.452 20.797 1.007 1.00 0.00 O ATOM 1272 CB GLU B 20 -2.504 19.215 3.931 1.00 0.00 C ATOM 1273 CG GLU B 20 -2.068 20.526 4.597 1.00 0.00 C ATOM 1274 CD GLU B 20 -3.217 21.183 5.388 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -3.386 20.870 6.592 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -3.954 22.023 4.818 1.00 0.00 O ATOM 0 H GLU B 20 -3.992 17.430 3.124 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.066 20.290 2.870 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.013 18.594 4.668 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.618 18.667 3.611 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.231 20.331 5.268 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -1.711 21.218 3.835 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.098 18.570 0.890 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.512 18.560 -0.440 1.00 0.00 C ATOM 1285 C ALA B 21 -2.452 19.218 -1.460 1.00 0.00 C ATOM 1286 O ALA B 21 -2.000 20.094 -2.179 1.00 0.00 O ATOM 1287 CB ALA B 21 -1.098 17.135 -0.827 1.00 0.00 C ATOM 0 H ALA B 21 -2.102 17.654 1.338 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.603 19.162 -0.438 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.661 17.142 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.365 16.762 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.974 16.487 -0.819 1.00 0.00 H new ATOM 1293 N SER B 22 -3.754 18.916 -1.476 1.00 0.00 N ATOM 1294 CA SER B 22 -4.719 19.580 -2.378 1.00 0.00 C ATOM 1295 C SER B 22 -4.815 21.114 -2.229 1.00 0.00 C ATOM 1296 O SER B 22 -5.085 21.791 -3.223 1.00 0.00 O ATOM 1297 CB SER B 22 -6.106 18.944 -2.223 1.00 0.00 C ATOM 1298 OG SER B 22 -6.925 19.227 -3.348 1.00 0.00 O ATOM 0 H SER B 22 -4.173 18.210 -0.871 1.00 0.00 H new ATOM 0 HA SER B 22 -4.329 19.419 -3.383 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.004 17.865 -2.105 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.583 19.320 -1.318 1.00 0.00 H new ATOM 0 HG SER B 22 -7.803 18.810 -3.226 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.569 21.702 -1.049 1.00 0.00 N ATOM 1305 CA GLU B 23 -4.492 23.172 -0.902 1.00 0.00 C ATOM 1306 C GLU B 23 -3.150 23.710 -1.442 1.00 0.00 C ATOM 1307 O GLU B 23 -3.130 24.640 -2.250 1.00 0.00 O ATOM 1308 CB GLU B 23 -4.635 23.521 0.587 1.00 0.00 C ATOM 1309 CG GLU B 23 -4.928 25.002 0.889 1.00 0.00 C ATOM 1310 CD GLU B 23 -3.715 25.947 0.738 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -2.627 25.652 1.290 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -3.862 27.025 0.113 1.00 0.00 O ATOM 0 H GLU B 23 -4.419 21.187 -0.181 1.00 0.00 H new ATOM 0 HA GLU B 23 -5.294 23.635 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -5.436 22.915 1.010 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -3.716 23.237 1.100 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -5.722 25.344 0.224 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -5.308 25.082 1.907 1.00 0.00 H new ATOM 1319 N LYS B 24 -2.024 23.105 -1.033 1.00 0.00 N ATOM 1320 CA LYS B 24 -0.661 23.497 -1.462 1.00 0.00 C ATOM 1321 C LYS B 24 -0.440 23.308 -2.971 1.00 0.00 C ATOM 1322 O LYS B 24 0.205 24.131 -3.620 1.00 0.00 O ATOM 1323 CB LYS B 24 0.371 22.688 -0.651 1.00 0.00 C ATOM 1324 CG LYS B 24 1.836 23.144 -0.805 1.00 0.00 C ATOM 1325 CD LYS B 24 2.133 24.491 -0.125 1.00 0.00 C ATOM 1326 CE LYS B 24 3.610 24.869 -0.311 1.00 0.00 C ATOM 1327 NZ LYS B 24 3.961 26.108 0.432 1.00 0.00 N ATOM 0 H LYS B 24 -2.029 22.317 -0.385 1.00 0.00 H new ATOM 0 HA LYS B 24 -0.536 24.562 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS B 24 0.101 22.740 0.404 1.00 0.00 H new ATOM 0 HB3 LYS B 24 0.301 21.641 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS B 24 2.492 22.381 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS B 24 2.075 23.221 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS B 24 1.496 25.268 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS B 24 1.898 24.429 0.937 1.00 0.00 H new ATOM 0 HE2 LYS B 24 4.241 24.049 0.032 1.00 0.00 H new ATOM 0 HE3 LYS B 24 3.818 25.010 -1.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 4.966 26.330 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 3.377 26.897 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 3.786 25.965 1.447 1.00 0.00 H new ATOM 1341 N ALA B 25 -1.019 22.250 -3.532 1.00 0.00 N ATOM 1342 CA ALA B 25 -0.888 21.780 -4.908 1.00 0.00 C ATOM 1343 C ALA B 25 -2.033 22.275 -5.809 1.00 0.00 C ATOM 1344 O ALA B 25 -2.474 21.562 -6.709 1.00 0.00 O ATOM 1345 CB ALA B 25 -0.834 20.248 -4.882 1.00 0.00 C ATOM 0 H ALA B 25 -1.643 21.650 -2.992 1.00 0.00 H new ATOM 0 HA ALA B 25 0.028 22.188 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -0.736 19.870 -5.900 1.00 0.00 H new ATOM 0 HB2 ALA B 25 0.022 19.924 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.750 19.859 -4.437 1.00 0.00 H new ATOM 1351 N ARG B 26 -2.543 23.485 -5.545 1.00 0.00 N ATOM 1352 CA ARG B 26 -3.682 24.130 -6.227 1.00 0.00 C ATOM 1353 C ARG B 26 -3.627 24.144 -7.774 1.00 0.00 C ATOM 1354 O ARG B 26 -4.664 24.290 -8.420 1.00 0.00 O ATOM 1355 CB ARG B 26 -3.845 25.539 -5.618 1.00 0.00 C ATOM 1356 CG ARG B 26 -2.673 26.489 -5.971 1.00 0.00 C ATOM 1357 CD ARG B 26 -1.888 27.003 -4.755 1.00 0.00 C ATOM 1358 NE ARG B 26 -2.537 28.165 -4.120 1.00 0.00 N ATOM 1359 CZ ARG B 26 -2.049 28.878 -3.118 1.00 0.00 C ATOM 1360 NH1 ARG B 26 -0.945 28.552 -2.507 1.00 0.00 N ATOM 1361 NH2 ARG B 26 -2.659 29.959 -2.720 1.00 0.00 N ATOM 0 H ARG B 26 -2.154 24.076 -4.810 1.00 0.00 H new ATOM 0 HA ARG B 26 -4.566 23.519 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -4.779 25.976 -5.971 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -3.923 25.454 -4.534 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -1.986 25.968 -6.638 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -3.066 27.343 -6.522 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -1.789 26.201 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -0.880 27.278 -5.066 1.00 0.00 H new ATOM 0 HE ARG B 26 -3.446 28.445 -4.487 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -0.427 27.723 -2.798 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -0.599 29.126 -1.738 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -3.518 30.259 -3.182 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -2.278 30.504 -1.947 1.00 0.00 H new ATOM 1375 N ASN B 27 -2.438 23.985 -8.368 1.00 0.00 N ATOM 1376 CA ASN B 27 -2.206 23.829 -9.810 1.00 0.00 C ATOM 1377 C ASN B 27 -2.845 22.527 -10.366 1.00 0.00 C ATOM 1378 O ASN B 27 -2.683 21.462 -9.760 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.678 23.852 -10.024 1.00 0.00 C ATOM 1380 CG ASN B 27 -0.288 23.757 -11.489 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -0.407 22.719 -12.119 1.00 0.00 O ATOM 1382 ND2 ASN B 27 0.157 24.840 -12.089 1.00 0.00 N ATOM 0 H ASN B 27 -1.571 23.960 -7.832 1.00 0.00 H new ATOM 0 HA ASN B 27 -2.683 24.641 -10.359 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -0.270 24.771 -9.603 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -0.227 23.024 -9.478 1.00 0.00 H new ATOM 0 HD21 ASN B 27 0.402 24.811 -13.079 1.00 0.00 H new ATOM 0 HD22 ASN B 27 0.257 25.709 -11.564 1.00 0.00 H new ATOM 1389 N PRO B 28 -3.525 22.559 -11.534 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.317 21.431 -12.031 1.00 0.00 C ATOM 1391 C PRO B 28 -3.500 20.177 -12.377 1.00 0.00 C ATOM 1392 O PRO B 28 -4.055 19.077 -12.368 1.00 0.00 O ATOM 1393 CB PRO B 28 -5.096 21.965 -13.239 1.00 0.00 C ATOM 1394 CG PRO B 28 -4.242 23.127 -13.734 1.00 0.00 C ATOM 1395 CD PRO B 28 -3.638 23.685 -12.447 1.00 0.00 C ATOM 0 HA PRO B 28 -4.979 21.077 -11.241 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.217 21.201 -14.007 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.096 22.295 -12.957 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.472 22.794 -14.429 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -4.841 23.874 -14.255 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.662 24.133 -12.636 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.271 24.466 -12.026 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.196 20.305 -12.643 1.00 0.00 N ATOM 1404 CA GLU B 29 -1.322 19.180 -13.011 1.00 0.00 C ATOM 1405 C GLU B 29 -1.214 18.119 -11.905 1.00 0.00 C ATOM 1406 O GLU B 29 -1.370 16.923 -12.155 1.00 0.00 O ATOM 1407 CB GLU B 29 0.069 19.725 -13.381 1.00 0.00 C ATOM 1408 CG GLU B 29 0.867 18.795 -14.304 1.00 0.00 C ATOM 1409 CD GLU B 29 0.301 18.790 -15.739 1.00 0.00 C ATOM 1410 OE1 GLU B 29 0.664 19.683 -16.543 1.00 0.00 O ATOM 1411 OE2 GLU B 29 -0.504 17.890 -16.079 1.00 0.00 O ATOM 0 H GLU B 29 -1.710 21.201 -12.609 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.769 18.677 -13.869 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -0.047 20.694 -13.867 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.639 19.893 -12.467 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.910 19.111 -14.326 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.849 17.782 -13.903 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.008 18.573 -10.666 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.055 17.749 -9.446 1.00 0.00 C ATOM 1420 C LYS B 30 -2.491 17.547 -8.965 1.00 0.00 C ATOM 1421 O LYS B 30 -2.866 16.421 -8.642 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.189 18.385 -8.341 1.00 0.00 C ATOM 1423 CG LYS B 30 0.185 17.392 -7.213 1.00 0.00 C ATOM 1424 CD LYS B 30 1.532 16.687 -7.447 1.00 0.00 C ATOM 1425 CE LYS B 30 2.692 17.645 -7.121 1.00 0.00 C ATOM 1426 NZ LYS B 30 4.021 16.993 -7.264 1.00 0.00 N ATOM 0 H LYS B 30 -0.797 19.552 -10.474 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.650 16.766 -9.684 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.724 18.780 -8.786 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.725 19.230 -7.909 1.00 0.00 H new ATOM 0 HG2 LYS B 30 0.223 17.928 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -0.600 16.641 -7.124 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.599 15.796 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.603 16.356 -8.483 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.642 18.511 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS B 30 2.579 18.015 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 4.770 17.677 -7.034 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 4.082 16.182 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 4.142 16.663 -8.243 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.314 18.605 -8.975 1.00 0.00 N ATOM 1441 CA LYS B 31 -4.716 18.593 -8.511 1.00 0.00 C ATOM 1442 C LYS B 31 -5.649 17.639 -9.277 1.00 0.00 C ATOM 1443 O LYS B 31 -6.718 17.317 -8.771 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.242 20.037 -8.436 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.509 20.217 -7.584 1.00 0.00 C ATOM 1446 CD LYS B 31 -7.734 20.453 -8.474 1.00 0.00 C ATOM 1447 CE LYS B 31 -9.008 20.510 -7.623 1.00 0.00 C ATOM 1448 NZ LYS B 31 -10.213 20.773 -8.453 1.00 0.00 N ATOM 0 H LYS B 31 -3.018 19.520 -9.315 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.717 18.164 -7.509 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.456 20.675 -8.032 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.448 20.387 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.667 19.332 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.379 21.060 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.616 21.385 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.816 19.654 -9.211 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.132 19.567 -7.090 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.908 21.291 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -11.055 20.805 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -10.106 21.685 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -10.323 20.014 -9.156 1.00 0.00 H new ATOM 1462 N SER B 32 -5.228 17.113 -10.431 1.00 0.00 N ATOM 1463 CA SER B 32 -5.948 16.068 -11.191 1.00 0.00 C ATOM 1464 C SER B 32 -5.238 14.704 -11.207 1.00 0.00 C ATOM 1465 O SER B 32 -5.702 13.766 -11.857 1.00 0.00 O ATOM 1466 CB SER B 32 -6.227 16.535 -12.630 1.00 0.00 C ATOM 1467 OG SER B 32 -6.796 17.835 -12.656 1.00 0.00 O ATOM 0 H SER B 32 -4.359 17.403 -10.879 1.00 0.00 H new ATOM 0 HA SER B 32 -6.889 15.917 -10.661 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.298 16.532 -13.201 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.902 15.832 -13.117 1.00 0.00 H new ATOM 0 HG SER B 32 -6.084 18.505 -12.588 1.00 0.00 H new ATOM 1473 N VAL B 33 -4.146 14.570 -10.449 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.407 13.317 -10.217 1.00 0.00 C ATOM 1475 C VAL B 33 -3.645 12.827 -8.790 1.00 0.00 C ATOM 1476 O VAL B 33 -4.041 11.674 -8.610 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.903 13.508 -10.511 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -1.028 12.352 -10.007 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.676 13.627 -12.023 1.00 0.00 C ATOM 0 H VAL B 33 -3.732 15.362 -9.958 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.777 12.554 -10.902 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.613 14.415 -9.981 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.016 12.554 -10.248 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.139 12.256 -8.927 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.338 11.424 -10.488 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.613 13.761 -12.222 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -2.025 12.720 -12.516 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.228 14.484 -12.407 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.506 13.688 -7.771 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.772 13.287 -6.393 1.00 0.00 C ATOM 1491 C LEU B 34 -5.283 13.101 -6.120 1.00 0.00 C ATOM 1492 O LEU B 34 -5.645 12.350 -5.217 1.00 0.00 O ATOM 1493 CB LEU B 34 -2.992 14.218 -5.437 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.808 15.345 -4.810 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -3.037 16.051 -3.694 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.246 16.430 -5.782 1.00 0.00 C ATOM 0 H LEU B 34 -3.213 14.659 -7.880 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.388 12.286 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.564 13.613 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.158 14.657 -5.985 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.692 14.831 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.652 16.847 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.789 15.333 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.119 16.478 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.819 17.187 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.367 16.891 -6.233 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.866 15.990 -6.563 1.00 0.00 H new ATOM 1508 N GLN B 35 -6.173 13.707 -6.926 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.631 13.536 -6.810 1.00 0.00 C ATOM 1510 C GLN B 35 -8.072 12.099 -7.156 1.00 0.00 C ATOM 1511 O GLN B 35 -8.953 11.534 -6.512 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.325 14.582 -7.698 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.812 14.824 -7.377 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.758 13.697 -7.792 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -10.644 13.101 -8.855 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.738 13.369 -6.974 1.00 0.00 N ATOM 0 H GLN B 35 -5.898 14.334 -7.682 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.929 13.695 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.790 15.527 -7.606 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -8.240 14.268 -8.738 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -9.914 14.986 -6.304 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -10.129 15.743 -7.870 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.845 13.857 -6.085 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.389 12.627 -7.230 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.413 11.481 -8.144 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.656 10.097 -8.578 1.00 0.00 C ATOM 1527 C LYS B 36 -7.298 9.066 -7.500 1.00 0.00 C ATOM 1528 O LYS B 36 -8.071 8.146 -7.239 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.846 9.888 -9.870 1.00 0.00 C ATOM 1530 CG LYS B 36 -7.340 8.719 -10.728 1.00 0.00 C ATOM 1531 CD LYS B 36 -6.395 8.452 -11.913 1.00 0.00 C ATOM 1532 CE LYS B 36 -6.100 9.654 -12.827 1.00 0.00 C ATOM 1533 NZ LYS B 36 -7.311 10.164 -13.526 1.00 0.00 N ATOM 0 H LYS B 36 -6.676 11.941 -8.679 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.720 9.944 -8.760 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -6.883 10.802 -10.463 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -5.801 9.719 -9.609 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -7.417 7.822 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -8.341 8.937 -11.101 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -5.449 8.079 -11.520 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -6.824 7.655 -12.521 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -5.665 10.457 -12.232 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -5.354 9.366 -13.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -7.051 10.972 -14.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -7.714 9.409 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -8.015 10.467 -12.824 1.00 0.00 H new ATOM 1547 N ILE B 37 -6.172 9.275 -6.813 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.811 8.549 -5.584 1.00 0.00 C ATOM 1549 C ILE B 37 -6.850 8.831 -4.492 1.00 0.00 C ATOM 1550 O ILE B 37 -7.352 7.892 -3.891 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.398 8.967 -5.113 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -3.297 8.658 -6.143 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -4.104 8.339 -3.741 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.892 9.165 -5.792 1.00 0.00 C ATOM 0 H ILE B 37 -5.473 9.962 -7.096 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.800 7.479 -5.790 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.390 10.052 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -3.249 7.578 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.590 9.090 -7.100 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -3.108 8.635 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.843 8.683 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -4.152 7.253 -3.820 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -1.198 8.892 -6.586 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.913 10.250 -5.685 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.566 8.714 -4.854 1.00 0.00 H new ATOM 1566 N LEU B 38 -7.242 10.090 -4.264 1.00 0.00 N ATOM 1567 CA LEU B 38 -8.300 10.446 -3.309 1.00 0.00 C ATOM 1568 C LEU B 38 -9.593 9.631 -3.510 1.00 0.00 C ATOM 1569 O LEU B 38 -10.180 9.183 -2.525 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.550 11.969 -3.367 1.00 0.00 C ATOM 1571 CG LEU B 38 -8.043 12.738 -2.136 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -7.622 14.160 -2.511 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -9.139 12.845 -1.073 1.00 0.00 C ATOM 0 H LEU B 38 -6.833 10.895 -4.739 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.957 10.183 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.067 12.372 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.620 12.146 -3.477 1.00 0.00 H new ATOM 0 HG LEU B 38 -7.189 12.184 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -7.268 14.681 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.822 14.120 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.476 14.694 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -8.758 13.393 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -9.998 13.373 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -9.443 11.846 -0.762 1.00 0.00 H new ATOM 1585 N GLU B 39 -10.008 9.368 -4.756 1.00 0.00 N ATOM 1586 CA GLU B 39 -11.190 8.537 -5.031 1.00 0.00 C ATOM 1587 C GLU B 39 -10.977 7.036 -4.764 1.00 0.00 C ATOM 1588 O GLU B 39 -11.847 6.378 -4.189 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.656 8.796 -6.475 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.995 8.125 -6.803 1.00 0.00 C ATOM 1591 CD GLU B 39 -13.478 8.519 -8.212 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -14.176 9.554 -8.352 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -13.176 7.793 -9.191 1.00 0.00 O ATOM 0 H GLU B 39 -9.542 9.719 -5.593 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.969 8.832 -4.327 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.746 9.871 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.895 8.434 -7.167 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.888 7.042 -6.741 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -13.742 8.415 -6.064 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.810 6.495 -5.108 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.387 5.141 -4.766 1.00 0.00 C ATOM 1602 C ASP B 40 -9.297 4.926 -3.247 1.00 0.00 C ATOM 1603 O ASP B 40 -9.708 3.887 -2.734 1.00 0.00 O ATOM 1604 CB ASP B 40 -7.999 4.958 -5.398 1.00 0.00 C ATOM 1605 CG ASP B 40 -7.974 4.457 -6.850 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -9.035 4.287 -7.497 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.840 4.239 -7.334 1.00 0.00 O ATOM 0 H ASP B 40 -9.112 7.004 -5.650 1.00 0.00 H new ATOM 0 HA ASP B 40 -10.114 4.418 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.475 5.913 -5.356 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.433 4.257 -4.784 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.788 5.913 -2.507 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.587 5.792 -1.058 1.00 0.00 C ATOM 1614 C GLU B 41 -9.915 5.932 -0.304 1.00 0.00 C ATOM 1615 O GLU B 41 -10.147 5.217 0.670 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.583 6.831 -0.542 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.148 6.732 -1.083 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.352 5.504 -0.656 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.886 4.528 -0.069 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.143 5.437 -0.991 1.00 0.00 O ATOM 0 H GLU B 41 -8.504 6.815 -2.891 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.180 4.798 -0.872 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -7.968 7.823 -0.778 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.543 6.755 0.545 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -6.190 6.752 -2.172 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.601 7.621 -0.769 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.831 6.771 -0.795 1.00 0.00 N ATOM 1628 CA GLU B 42 -12.220 6.799 -0.323 1.00 0.00 C ATOM 1629 C GLU B 42 -12.902 5.428 -0.489 1.00 0.00 C ATOM 1630 O GLU B 42 -13.643 4.999 0.398 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.988 7.916 -1.051 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.379 8.158 -0.451 1.00 0.00 C ATOM 1633 CD GLU B 42 -15.102 9.310 -1.177 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -14.899 10.493 -0.806 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -15.893 9.041 -2.114 1.00 0.00 O ATOM 0 H GLU B 42 -10.632 7.450 -1.530 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.226 7.016 0.745 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.410 8.839 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -13.090 7.656 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -14.974 7.247 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.286 8.393 0.609 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.606 4.698 -1.576 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.105 3.330 -1.800 1.00 0.00 C ATOM 1644 C LYS B 43 -12.533 2.316 -0.801 1.00 0.00 C ATOM 1645 O LYS B 43 -13.280 1.484 -0.296 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.849 2.892 -3.257 1.00 0.00 C ATOM 1647 CG LYS B 43 -14.039 2.152 -3.883 1.00 0.00 C ATOM 1648 CD LYS B 43 -15.178 3.115 -4.269 1.00 0.00 C ATOM 1649 CE LYS B 43 -16.375 2.399 -4.910 1.00 0.00 C ATOM 1650 NZ LYS B 43 -16.067 1.869 -6.266 1.00 0.00 N ATOM 0 H LYS B 43 -12.010 5.042 -2.329 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.181 3.350 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.619 3.771 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.971 2.246 -3.287 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.705 1.612 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.415 1.409 -3.180 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.514 3.648 -3.379 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -14.795 3.863 -4.963 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -16.690 1.578 -4.266 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -17.214 3.091 -4.977 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -16.908 1.396 -6.653 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -15.793 2.653 -6.891 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -15.284 1.187 -6.203 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.247 2.401 -0.440 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.625 1.564 0.571 1.00 0.00 C ATOM 1666 C HIS B 44 -11.279 1.768 1.936 1.00 0.00 C ATOM 1667 O HIS B 44 -11.741 0.814 2.554 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.148 1.956 0.622 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.338 1.691 -0.618 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -6.978 2.017 -0.789 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.816 1.098 -1.748 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.709 1.634 -2.063 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.795 1.114 -2.654 1.00 0.00 N ATOM 0 H HIS B 44 -10.602 3.072 -0.858 1.00 0.00 H new ATOM 0 HA HIS B 44 -10.744 0.510 0.319 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.086 3.020 0.849 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.683 1.425 1.453 1.00 0.00 H new ATOM 0 HD1 HIS B 44 -6.343 2.442 -0.113 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.807 0.695 -1.897 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.745 1.735 -2.539 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.364 3.025 2.367 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.076 3.485 3.562 1.00 0.00 C ATOM 1683 C ILE B 45 -13.559 3.050 3.596 1.00 0.00 C ATOM 1684 O ILE B 45 -14.022 2.589 4.640 1.00 0.00 O ATOM 1685 CB ILE B 45 -11.883 5.016 3.650 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -10.416 5.433 3.909 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -12.816 5.666 4.674 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.861 5.065 5.284 1.00 0.00 C ATOM 0 H ILE B 45 -10.915 3.792 1.867 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.657 3.009 4.449 1.00 0.00 H new ATOM 0 HB ILE B 45 -12.154 5.391 2.663 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -9.786 4.974 3.147 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -10.335 6.512 3.781 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -12.639 6.741 4.696 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -13.852 5.474 4.395 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -12.622 5.246 5.661 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.827 5.402 5.361 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -10.458 5.546 6.058 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.901 3.984 5.415 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.297 3.106 2.481 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.668 2.568 2.380 1.00 0.00 C ATOM 1702 C GLU B 46 -15.750 1.088 2.772 1.00 0.00 C ATOM 1703 O GLU B 46 -16.628 0.681 3.538 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.201 2.720 0.941 1.00 0.00 C ATOM 1705 CG GLU B 46 -16.994 3.998 0.683 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.398 3.938 1.315 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.330 3.382 0.681 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.586 4.450 2.445 1.00 0.00 O ATOM 0 H GLU B 46 -13.962 3.528 1.615 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.275 3.144 3.078 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.358 2.687 0.251 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -16.835 1.863 0.711 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.450 4.851 1.087 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.086 4.158 -0.391 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.825 0.276 2.258 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.784 -1.155 2.518 1.00 0.00 C ATOM 1717 C TRP B 47 -14.281 -1.440 3.939 1.00 0.00 C ATOM 1718 O TRP B 47 -14.893 -2.215 4.667 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.885 -1.813 1.463 1.00 0.00 C ATOM 1720 CG TRP B 47 -14.133 -1.522 0.003 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -15.301 -1.150 -0.580 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -13.155 -1.571 -1.083 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -15.107 -0.958 -1.939 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.806 -1.240 -2.309 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.774 -1.857 -1.153 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -13.124 -1.228 -3.537 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -11.080 -1.865 -2.377 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.754 -1.548 -3.570 1.00 0.00 C ATOM 0 H TRP B 47 -14.078 0.601 1.644 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.788 -1.573 2.450 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.856 -1.529 1.685 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.954 -2.892 1.599 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -16.240 -1.023 -0.063 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.833 -0.648 -2.585 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -11.236 -2.076 -0.242 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.646 -0.975 -4.448 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -10.030 -2.115 -2.400 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -11.221 -1.550 -4.509 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.227 -0.750 4.382 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.712 -0.788 5.752 1.00 0.00 C ATOM 1741 C LEU B 48 -13.811 -0.548 6.794 1.00 0.00 C ATOM 1742 O LEU B 48 -13.859 -1.247 7.800 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.603 0.271 5.874 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.233 -0.188 5.361 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.309 1.016 5.179 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.554 -1.141 6.349 1.00 0.00 C ATOM 0 H LEU B 48 -12.691 -0.129 3.776 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.315 -1.783 5.954 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.905 1.161 5.322 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.508 0.561 6.920 1.00 0.00 H new ATOM 0 HG LEU B 48 -10.403 -0.700 4.414 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.339 0.678 4.814 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -9.748 1.706 4.458 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -9.181 1.524 6.135 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.585 -1.446 5.953 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.413 -0.635 7.304 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -10.180 -2.021 6.494 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.730 0.382 6.536 1.00 0.00 N ATOM 1759 CA GLU B 49 -15.907 0.604 7.391 1.00 0.00 C ATOM 1760 C GLU B 49 -16.877 -0.582 7.398 1.00 0.00 C ATOM 1761 O GLU B 49 -17.288 -1.034 8.469 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.664 1.865 6.943 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.498 2.442 8.095 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.324 3.663 7.647 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.469 3.479 7.164 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -17.853 4.816 7.804 1.00 0.00 O ATOM 0 H GLU B 49 -14.684 1.005 5.730 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.526 0.726 8.405 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -15.955 2.614 6.592 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.315 1.624 6.103 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.167 1.672 8.481 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -16.838 2.730 8.913 1.00 0.00 H new ATOM 1773 N THR B 50 -17.215 -1.118 6.220 1.00 0.00 N ATOM 1774 CA THR B 50 -18.108 -2.294 6.110 1.00 0.00 C ATOM 1775 C THR B 50 -17.509 -3.579 6.714 1.00 0.00 C ATOM 1776 O THR B 50 -18.238 -4.534 6.993 1.00 0.00 O ATOM 1777 CB THR B 50 -18.604 -2.489 4.660 1.00 0.00 C ATOM 1778 OG1 THR B 50 -19.988 -2.776 4.665 1.00 0.00 O ATOM 1779 CG2 THR B 50 -17.933 -3.579 3.818 1.00 0.00 C ATOM 0 H THR B 50 -16.887 -0.760 5.323 1.00 0.00 H new ATOM 0 HA THR B 50 -18.981 -2.078 6.725 1.00 0.00 H new ATOM 0 HB THR B 50 -18.340 -1.542 4.189 1.00 0.00 H new ATOM 0 HG1 THR B 50 -20.300 -2.897 3.744 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.383 -3.600 2.825 1.00 0.00 H new ATOM 0 HG22 THR B 50 -16.868 -3.366 3.729 1.00 0.00 H new ATOM 0 HG23 THR B 50 -18.071 -4.547 4.300 1.00 0.00 H new ATOM 1787 N ILE B 51 -16.193 -3.585 6.958 1.00 0.00 N ATOM 1788 CA ILE B 51 -15.402 -4.706 7.496 1.00 0.00 C ATOM 1789 C ILE B 51 -14.950 -4.500 8.956 1.00 0.00 C ATOM 1790 O ILE B 51 -14.566 -5.455 9.637 1.00 0.00 O ATOM 1791 CB ILE B 51 -14.262 -4.996 6.484 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -14.855 -5.733 5.254 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -13.081 -5.819 7.027 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -14.233 -5.299 3.925 1.00 0.00 C ATOM 0 H ILE B 51 -15.616 -2.763 6.776 1.00 0.00 H new ATOM 0 HA ILE B 51 -16.021 -5.598 7.585 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.848 -4.020 6.232 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -14.712 -6.806 5.380 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -15.930 -5.556 5.218 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -12.344 -5.962 6.237 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.621 -5.289 7.861 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -13.440 -6.790 7.368 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -14.695 -5.854 3.109 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -14.399 -4.232 3.777 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -13.162 -5.501 3.941 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.086 -3.282 9.480 1.00 0.00 N ATOM 1807 CA ASN B 52 -14.947 -2.967 10.907 1.00 0.00 C ATOM 1808 C ASN B 52 -16.179 -3.443 11.722 1.00 0.00 C ATOM 1809 O ASN B 52 -17.231 -3.771 11.158 1.00 0.00 O ATOM 1810 CB ASN B 52 -14.694 -1.450 11.038 1.00 0.00 C ATOM 1811 CG ASN B 52 -14.281 -1.010 12.436 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -13.687 -1.755 13.204 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -14.591 0.206 12.820 1.00 0.00 N ATOM 0 H ASN B 52 -15.302 -2.463 8.911 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.100 -3.507 11.330 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -13.916 -1.159 10.332 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -15.600 -0.915 10.752 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -14.337 0.526 13.755 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -15.086 0.831 12.184 1.00 0.00 H new