USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 SER OG : rot -17:sc= 0.363 USER MOD Set 1.2: A 31 LYS NZ :NH3+ -157:sc= 0.51 (180deg=0) USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.004 X(o=-0.004,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.14) USER MOD Single : A 15 MET CE :methyl 130:sc= -0.389 (180deg=-0.836) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.65) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= -0.0608 (180deg=-0.0665) USER MOD Single : A 32 SER OG : rot 82:sc= 0.223 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 1.08 (180deg=1.08) USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.15) USER MOD Single : A 44 HIS : no HE2:sc= -9.58! C(o=-9.6!,f=-21!) USER MOD Single : A 50 THR OG1 : rot 90:sc= 0.00652 USER MOD Single : A 52 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.46) 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) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 MET CE :methyl 148:sc= -0.125 (180deg=-0.687) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= -0.0571 USER MOD Single : B 22 SER OG : rot 180:sc= -0.194 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 ASN : amide:sc= -0.0513 X(o=-0.051,f=-0.46) 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 -30:sc= 0.0427 USER MOD Single : B 35 GLN : amide:sc= 1.13 K(o=1.1,f=0) 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= -9.53! C(o=-9.5!,f=-22!) USER MOD Single : B 50 THR OG1 : rot 79:sc= 0.684 USER MOD Single : B 52 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 4 6.149 15.253 -0.584 1.00 0.00 N ATOM 54 CA LEU A 4 5.775 14.031 -1.299 1.00 0.00 C ATOM 55 C LEU A 4 6.492 12.795 -0.731 1.00 0.00 C ATOM 56 O LEU A 4 5.840 11.789 -0.467 1.00 0.00 O ATOM 57 CB LEU A 4 5.920 14.298 -2.817 1.00 0.00 C ATOM 58 CG LEU A 4 6.858 13.383 -3.617 1.00 0.00 C ATOM 59 CD1 LEU A 4 6.191 12.061 -4.006 1.00 0.00 C ATOM 60 CD2 LEU A 4 7.288 14.108 -4.889 1.00 0.00 C ATOM 0 HA LEU A 4 4.728 13.770 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.928 14.235 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.263 15.325 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 4 7.714 13.151 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.896 11.450 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.888 11.527 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.314 12.263 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.955 13.467 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.408 14.347 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.808 15.029 -4.625 1.00 0.00 H new ATOM 72 N ARG A 5 7.800 12.884 -0.446 1.00 0.00 N ATOM 73 CA ARG A 5 8.582 11.784 0.156 1.00 0.00 C ATOM 74 C ARG A 5 8.131 11.422 1.573 1.00 0.00 C ATOM 75 O ARG A 5 8.197 10.258 1.962 1.00 0.00 O ATOM 76 CB ARG A 5 10.093 12.081 0.055 1.00 0.00 C ATOM 77 CG ARG A 5 10.619 13.308 0.827 1.00 0.00 C ATOM 78 CD ARG A 5 11.024 13.005 2.278 1.00 0.00 C ATOM 79 NE ARG A 5 11.573 14.205 2.939 1.00 0.00 N ATOM 80 CZ ARG A 5 11.984 14.302 4.192 1.00 0.00 C ATOM 81 NH1 ARG A 5 11.926 13.298 5.021 1.00 0.00 N ATOM 82 NH2 ARG A 5 12.472 15.422 4.640 1.00 0.00 N ATOM 0 H ARG A 5 8.351 13.723 -0.626 1.00 0.00 H new ATOM 0 HA ARG A 5 8.382 10.884 -0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.635 11.203 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.343 12.211 -0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.480 13.716 0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.850 14.081 0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.158 12.645 2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.766 12.207 2.292 1.00 0.00 H new ATOM 0 HE ARG A 5 11.643 15.048 2.369 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.554 12.401 4.710 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.252 13.410 5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.539 16.232 4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.787 15.490 5.608 1.00 0.00 H new ATOM 96 N GLU A 6 7.630 12.401 2.328 1.00 0.00 N ATOM 97 CA GLU A 6 7.033 12.176 3.648 1.00 0.00 C ATOM 98 C GLU A 6 5.695 11.435 3.525 1.00 0.00 C ATOM 99 O GLU A 6 5.456 10.460 4.238 1.00 0.00 O ATOM 100 CB GLU A 6 6.876 13.524 4.377 1.00 0.00 C ATOM 101 CG GLU A 6 6.481 13.335 5.847 1.00 0.00 C ATOM 102 CD GLU A 6 6.505 14.675 6.607 1.00 0.00 C ATOM 103 OE1 GLU A 6 7.573 15.048 7.152 1.00 0.00 O ATOM 104 OE2 GLU A 6 5.457 15.362 6.675 1.00 0.00 O ATOM 0 H GLU A 6 7.626 13.379 2.040 1.00 0.00 H new ATOM 0 HA GLU A 6 7.693 11.541 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.813 14.079 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.119 14.124 3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.484 12.899 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.165 12.632 6.323 1.00 0.00 H new ATOM 111 N LEU A 7 4.856 11.856 2.574 1.00 0.00 N ATOM 112 CA LEU A 7 3.553 11.244 2.307 1.00 0.00 C ATOM 113 C LEU A 7 3.677 9.787 1.797 1.00 0.00 C ATOM 114 O LEU A 7 2.978 8.903 2.286 1.00 0.00 O ATOM 115 CB LEU A 7 2.669 12.219 1.489 1.00 0.00 C ATOM 116 CG LEU A 7 2.381 11.845 0.035 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.292 10.786 -0.107 1.00 0.00 C ATOM 118 CD2 LEU A 7 1.894 13.062 -0.756 1.00 0.00 C ATOM 0 H LEU A 7 5.067 12.643 1.960 1.00 0.00 H new ATOM 0 HA LEU A 7 3.003 11.097 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.715 12.326 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.148 13.198 1.498 1.00 0.00 H new ATOM 0 HG LEU A 7 3.326 11.458 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.135 10.565 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.598 9.878 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.364 11.158 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.696 12.770 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.979 13.446 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.660 13.837 -0.739 1.00 0.00 H new ATOM 130 N TYR A 8 4.614 9.515 0.884 1.00 0.00 N ATOM 131 CA TYR A 8 4.956 8.192 0.317 1.00 0.00 C ATOM 132 C TYR A 8 5.296 7.161 1.396 1.00 0.00 C ATOM 133 O TYR A 8 4.879 6.008 1.311 1.00 0.00 O ATOM 134 CB TYR A 8 6.207 8.426 -0.559 1.00 0.00 C ATOM 135 CG TYR A 8 6.517 7.544 -1.756 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.100 6.202 -1.840 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.349 8.077 -2.765 1.00 0.00 C ATOM 138 CE1 TYR A 8 6.553 5.391 -2.899 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.786 7.275 -3.835 1.00 0.00 C ATOM 140 CZ TYR A 8 7.399 5.920 -3.893 1.00 0.00 C ATOM 141 OH TYR A 8 7.861 5.104 -4.876 1.00 0.00 O ATOM 0 H TYR A 8 5.195 10.255 0.491 1.00 0.00 H new ATOM 0 HA TYR A 8 4.105 7.796 -0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.148 9.450 -0.928 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.071 8.375 0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.434 5.795 -1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.653 9.112 -2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.249 4.356 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.414 7.694 -4.607 1.00 0.00 H new ATOM 0 HH TYR A 8 7.206 4.396 -5.048 1.00 0.00 H new ATOM 151 N LYS A 9 6.045 7.570 2.423 1.00 0.00 N ATOM 152 CA LYS A 9 6.388 6.695 3.557 1.00 0.00 C ATOM 153 C LYS A 9 5.170 6.202 4.324 1.00 0.00 C ATOM 154 O LYS A 9 4.998 4.996 4.462 1.00 0.00 O ATOM 155 CB LYS A 9 7.387 7.383 4.506 1.00 0.00 C ATOM 156 CG LYS A 9 8.845 7.185 4.073 1.00 0.00 C ATOM 157 CD LYS A 9 9.790 7.801 5.117 1.00 0.00 C ATOM 158 CE LYS A 9 11.247 7.433 4.813 1.00 0.00 C ATOM 159 NZ LYS A 9 12.170 7.954 5.858 1.00 0.00 N ATOM 0 H LYS A 9 6.431 8.511 2.496 1.00 0.00 H new ATOM 0 HA LYS A 9 6.861 5.813 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.166 8.450 4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.255 6.990 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.058 6.122 3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.011 7.649 3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.677 8.885 5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.520 7.448 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.344 6.349 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.530 7.837 3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.147 7.688 5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.095 8.990 5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.914 7.549 6.781 1.00 0.00 H new ATOM 173 N LEU A 10 4.304 7.098 4.784 1.00 0.00 N ATOM 174 CA LEU A 10 3.051 6.740 5.446 1.00 0.00 C ATOM 175 C LEU A 10 2.062 5.996 4.524 1.00 0.00 C ATOM 176 O LEU A 10 1.377 5.078 4.976 1.00 0.00 O ATOM 177 CB LEU A 10 2.471 7.938 6.222 1.00 0.00 C ATOM 178 CG LEU A 10 2.448 9.310 5.525 1.00 0.00 C ATOM 179 CD1 LEU A 10 1.078 9.608 4.921 1.00 0.00 C ATOM 180 CD2 LEU A 10 2.819 10.406 6.521 1.00 0.00 C ATOM 0 H LEU A 10 4.452 8.104 4.708 1.00 0.00 H new ATOM 0 HA LEU A 10 3.273 5.990 6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.448 7.689 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.039 8.043 7.146 1.00 0.00 H new ATOM 0 HG LEU A 10 3.178 9.285 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.098 10.584 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.831 8.843 4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.325 9.609 5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.801 11.374 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.103 10.409 7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.819 10.219 6.912 1.00 0.00 H new ATOM 192 N GLU A 11 2.078 6.282 3.218 1.00 0.00 N ATOM 193 CA GLU A 11 1.471 5.452 2.168 1.00 0.00 C ATOM 194 C GLU A 11 2.035 4.015 2.119 1.00 0.00 C ATOM 195 O GLU A 11 1.254 3.068 2.005 1.00 0.00 O ATOM 196 CB GLU A 11 1.625 6.203 0.819 1.00 0.00 C ATOM 197 CG GLU A 11 0.350 6.935 0.368 1.00 0.00 C ATOM 198 CD GLU A 11 -0.735 6.037 -0.247 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.443 5.217 0.361 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.182 6.114 -1.407 1.00 0.00 O ATOM 0 H GLU A 11 2.526 7.121 2.850 1.00 0.00 H new ATOM 0 HA GLU A 11 0.414 5.309 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.436 6.926 0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.916 5.490 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.075 7.455 1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.626 7.697 -0.361 1.00 0.00 H new ATOM 207 N GLN A 12 3.351 3.803 2.274 1.00 0.00 N ATOM 208 CA GLN A 12 3.943 2.463 2.260 1.00 0.00 C ATOM 209 C GLN A 12 3.929 1.732 3.596 1.00 0.00 C ATOM 210 O GLN A 12 3.916 0.503 3.618 1.00 0.00 O ATOM 211 CB GLN A 12 5.363 2.548 1.716 1.00 0.00 C ATOM 212 CG GLN A 12 5.288 2.753 0.204 1.00 0.00 C ATOM 213 CD GLN A 12 6.677 2.793 -0.428 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.066 1.928 -1.202 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.486 3.782 -0.109 1.00 0.00 N ATOM 0 H GLN A 12 4.028 4.553 2.412 1.00 0.00 H new ATOM 0 HA GLN A 12 3.307 1.862 1.611 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.900 3.373 2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.913 1.636 1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.707 1.947 -0.244 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.763 3.683 -0.012 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.174 4.509 0.535 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.425 3.821 -0.506 1.00 0.00 H new ATOM 224 N GLN A 13 3.854 2.449 4.710 1.00 0.00 N ATOM 225 CA GLN A 13 3.675 1.839 6.026 1.00 0.00 C ATOM 226 C GLN A 13 2.344 1.093 6.117 1.00 0.00 C ATOM 227 O GLN A 13 2.325 -0.003 6.673 1.00 0.00 O ATOM 228 CB GLN A 13 3.791 2.895 7.139 1.00 0.00 C ATOM 229 CG GLN A 13 5.239 3.317 7.430 1.00 0.00 C ATOM 230 CD GLN A 13 6.048 2.205 8.098 1.00 0.00 C ATOM 231 OE1 GLN A 13 6.786 1.463 7.463 1.00 0.00 O ATOM 232 NE2 GLN A 13 5.936 2.034 9.400 1.00 0.00 N ATOM 0 H GLN A 13 3.915 3.467 4.729 1.00 0.00 H new ATOM 0 HA GLN A 13 4.473 1.109 6.165 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.214 3.775 6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.345 2.501 8.052 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.725 3.606 6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.236 4.197 8.074 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.325 2.644 9.944 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.460 1.292 9.864 1.00 0.00 H new ATOM 241 N ALA A 14 1.261 1.603 5.508 1.00 0.00 N ATOM 242 CA ALA A 14 -0.003 0.868 5.448 1.00 0.00 C ATOM 243 C ALA A 14 0.136 -0.398 4.595 1.00 0.00 C ATOM 244 O ALA A 14 -0.368 -1.450 4.976 1.00 0.00 O ATOM 245 CB ALA A 14 -1.094 1.789 4.887 1.00 0.00 C ATOM 0 H ALA A 14 1.240 2.516 5.054 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.281 0.552 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.039 1.247 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.206 2.658 5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.814 2.118 3.886 1.00 0.00 H new ATOM 251 N MET A 15 0.874 -0.326 3.480 1.00 0.00 N ATOM 252 CA MET A 15 1.124 -1.481 2.603 1.00 0.00 C ATOM 253 C MET A 15 1.970 -2.563 3.287 1.00 0.00 C ATOM 254 O MET A 15 1.667 -3.749 3.159 1.00 0.00 O ATOM 255 CB MET A 15 1.889 -1.048 1.342 1.00 0.00 C ATOM 256 CG MET A 15 1.084 -0.184 0.368 1.00 0.00 C ATOM 257 SD MET A 15 1.228 -0.754 -1.347 1.00 0.00 S ATOM 258 CE MET A 15 0.288 -2.295 -1.169 1.00 0.00 C ATOM 0 H MET A 15 1.316 0.535 3.159 1.00 0.00 H new ATOM 0 HA MET A 15 0.142 -1.885 2.356 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.779 -0.496 1.645 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.231 -1.940 0.817 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.035 -0.191 0.663 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.427 0.849 0.434 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.464 -2.355 -1.955 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.965 -3.145 -1.249 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.202 -2.312 -0.196 1.00 0.00 H new ATOM 268 N LYS A 16 3.025 -2.179 4.022 1.00 0.00 N ATOM 269 CA LYS A 16 3.907 -3.132 4.715 1.00 0.00 C ATOM 270 C LYS A 16 3.157 -3.867 5.826 1.00 0.00 C ATOM 271 O LYS A 16 3.278 -5.084 5.960 1.00 0.00 O ATOM 272 CB LYS A 16 5.139 -2.387 5.260 1.00 0.00 C ATOM 273 CG LYS A 16 6.382 -3.289 5.365 1.00 0.00 C ATOM 274 CD LYS A 16 7.044 -3.514 3.992 1.00 0.00 C ATOM 275 CE LYS A 16 8.286 -4.412 4.071 1.00 0.00 C ATOM 276 NZ LYS A 16 7.939 -5.847 4.262 1.00 0.00 N ATOM 0 H LYS A 16 3.290 -1.203 4.153 1.00 0.00 H new ATOM 0 HA LYS A 16 4.244 -3.888 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.363 -1.541 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.906 -1.980 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.103 -2.837 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.098 -4.250 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.319 -3.963 3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.324 -2.550 3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.870 -4.301 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.918 -4.081 4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.811 -6.412 4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.405 -5.960 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.358 -6.173 3.463 1.00 0.00 H new ATOM 290 N LEU A 17 2.307 -3.139 6.554 1.00 0.00 N ATOM 291 CA LEU A 17 1.331 -3.702 7.485 1.00 0.00 C ATOM 292 C LEU A 17 0.316 -4.615 6.787 1.00 0.00 C ATOM 293 O LEU A 17 0.045 -5.712 7.272 1.00 0.00 O ATOM 294 CB LEU A 17 0.647 -2.541 8.235 1.00 0.00 C ATOM 295 CG LEU A 17 0.958 -2.609 9.735 1.00 0.00 C ATOM 296 CD1 LEU A 17 0.642 -1.276 10.397 1.00 0.00 C ATOM 297 CD2 LEU A 17 0.167 -3.716 10.435 1.00 0.00 C ATOM 0 H LEU A 17 2.279 -2.120 6.510 1.00 0.00 H new ATOM 0 HA LEU A 17 1.848 -4.342 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.989 -1.588 7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.431 -2.585 8.079 1.00 0.00 H new ATOM 0 HG LEU A 17 2.020 -2.835 9.833 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.867 -1.336 11.462 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.247 -0.491 9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.414 -1.044 10.262 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.418 -3.728 11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.901 -3.531 10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.419 -4.679 9.992 1.00 0.00 H new ATOM 309 N TYR A 18 -0.184 -4.212 5.617 1.00 0.00 N ATOM 310 CA TYR A 18 -1.114 -5.007 4.812 1.00 0.00 C ATOM 311 C TYR A 18 -0.516 -6.335 4.309 1.00 0.00 C ATOM 312 O TYR A 18 -1.238 -7.329 4.228 1.00 0.00 O ATOM 313 CB TYR A 18 -1.671 -4.166 3.648 1.00 0.00 C ATOM 314 CG TYR A 18 -3.053 -3.576 3.868 1.00 0.00 C ATOM 315 CD1 TYR A 18 -4.123 -4.432 4.187 1.00 0.00 C ATOM 316 CD2 TYR A 18 -3.296 -2.200 3.686 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.437 -3.943 4.273 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.603 -1.693 3.859 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.676 -2.558 4.150 1.00 0.00 C ATOM 320 OH TYR A 18 -6.926 -2.041 4.300 1.00 0.00 O ATOM 0 H TYR A 18 0.049 -3.312 5.196 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.934 -5.288 5.472 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.975 -3.351 3.447 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.700 -4.789 2.754 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.931 -5.479 4.368 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.488 -1.537 3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.260 -4.624 4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.781 -0.632 3.767 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.894 -1.069 4.181 1.00 0.00 H new ATOM 330 N ARG A 19 0.795 -6.398 4.028 1.00 0.00 N ATOM 331 CA ARG A 19 1.511 -7.643 3.670 1.00 0.00 C ATOM 332 C ARG A 19 1.426 -8.682 4.794 1.00 0.00 C ATOM 333 O ARG A 19 1.185 -9.859 4.527 1.00 0.00 O ATOM 334 CB ARG A 19 2.967 -7.294 3.276 1.00 0.00 C ATOM 335 CG ARG A 19 3.686 -8.296 2.344 1.00 0.00 C ATOM 336 CD ARG A 19 4.577 -9.347 3.031 1.00 0.00 C ATOM 337 NE ARG A 19 3.786 -10.406 3.676 1.00 0.00 N ATOM 338 CZ ARG A 19 4.212 -11.440 4.374 1.00 0.00 C ATOM 339 NH1 ARG A 19 5.472 -11.723 4.542 1.00 0.00 N ATOM 340 NH2 ARG A 19 3.330 -12.213 4.927 1.00 0.00 N ATOM 0 H ARG A 19 1.400 -5.577 4.042 1.00 0.00 H new ATOM 0 HA ARG A 19 1.031 -8.108 2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.965 -6.318 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.554 -7.195 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.931 -8.819 1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.301 -7.731 1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.246 -9.792 2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.204 -8.858 3.777 1.00 0.00 H new ATOM 0 HE ARG A 19 2.774 -10.330 3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.188 -11.130 4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.743 -12.537 5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.336 -12.014 4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.630 -13.021 5.473 1.00 0.00 H new ATOM 354 N GLU A 20 1.578 -8.261 6.047 1.00 0.00 N ATOM 355 CA GLU A 20 1.447 -9.136 7.225 1.00 0.00 C ATOM 356 C GLU A 20 -0.011 -9.446 7.564 1.00 0.00 C ATOM 357 O GLU A 20 -0.361 -10.586 7.867 1.00 0.00 O ATOM 358 CB GLU A 20 2.097 -8.454 8.434 1.00 0.00 C ATOM 359 CG GLU A 20 2.621 -9.483 9.443 1.00 0.00 C ATOM 360 CD GLU A 20 3.251 -8.797 10.668 1.00 0.00 C ATOM 361 OE1 GLU A 20 4.461 -8.462 10.626 1.00 0.00 O ATOM 362 OE2 GLU A 20 2.546 -8.600 11.687 1.00 0.00 O ATOM 0 H GLU A 20 1.798 -7.293 6.283 1.00 0.00 H new ATOM 0 HA GLU A 20 1.943 -10.077 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.918 -7.821 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.371 -7.803 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.803 -10.128 9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.361 -10.123 8.962 1.00 0.00 H new ATOM 369 N ALA A 21 -0.872 -8.436 7.452 1.00 0.00 N ATOM 370 CA ALA A 21 -2.322 -8.593 7.569 1.00 0.00 C ATOM 371 C ALA A 21 -2.865 -9.649 6.588 1.00 0.00 C ATOM 372 O ALA A 21 -3.723 -10.438 6.966 1.00 0.00 O ATOM 373 CB ALA A 21 -3.014 -7.242 7.373 1.00 0.00 C ATOM 0 H ALA A 21 -0.580 -7.475 7.276 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.543 -8.955 8.573 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.093 -7.370 7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.667 -6.542 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.775 -6.851 6.384 1.00 0.00 H new ATOM 379 N SER A 22 -2.320 -9.737 5.370 1.00 0.00 N ATOM 380 CA SER A 22 -2.622 -10.801 4.401 1.00 0.00 C ATOM 381 C SER A 22 -2.278 -12.210 4.914 1.00 0.00 C ATOM 382 O SER A 22 -2.969 -13.169 4.569 1.00 0.00 O ATOM 383 CB SER A 22 -1.885 -10.521 3.085 1.00 0.00 C ATOM 384 OG SER A 22 -2.344 -11.378 2.055 1.00 0.00 O ATOM 0 H SER A 22 -1.643 -9.058 5.021 1.00 0.00 H new ATOM 0 HA SER A 22 -3.700 -10.789 4.241 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.036 -9.482 2.793 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.813 -10.659 3.228 1.00 0.00 H new ATOM 0 HG SER A 22 -2.829 -12.133 2.449 1.00 0.00 H new ATOM 390 N GLU A 23 -1.246 -12.364 5.754 1.00 0.00 N ATOM 391 CA GLU A 23 -0.913 -13.647 6.398 1.00 0.00 C ATOM 392 C GLU A 23 -1.852 -13.954 7.575 1.00 0.00 C ATOM 393 O GLU A 23 -2.367 -15.070 7.697 1.00 0.00 O ATOM 394 CB GLU A 23 0.548 -13.603 6.868 1.00 0.00 C ATOM 395 CG GLU A 23 1.177 -14.994 7.003 1.00 0.00 C ATOM 396 CD GLU A 23 2.661 -14.897 7.411 1.00 0.00 C ATOM 397 OE1 GLU A 23 3.488 -14.422 6.592 1.00 0.00 O ATOM 398 OE2 GLU A 23 3.011 -15.297 8.549 1.00 0.00 O ATOM 0 H GLU A 23 -0.616 -11.603 6.008 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.044 -14.448 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.133 -13.013 6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.599 -13.093 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.630 -15.573 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.091 -15.528 6.057 1.00 0.00 H new ATOM 405 N LYS A 24 -2.142 -12.941 8.405 1.00 0.00 N ATOM 406 CA LYS A 24 -3.151 -13.012 9.481 1.00 0.00 C ATOM 407 C LYS A 24 -4.566 -13.312 8.952 1.00 0.00 C ATOM 408 O LYS A 24 -5.341 -13.995 9.622 1.00 0.00 O ATOM 409 CB LYS A 24 -3.150 -11.707 10.294 1.00 0.00 C ATOM 410 CG LYS A 24 -1.903 -11.556 11.183 1.00 0.00 C ATOM 411 CD LYS A 24 -1.925 -10.189 11.881 1.00 0.00 C ATOM 412 CE LYS A 24 -0.811 -10.017 12.923 1.00 0.00 C ATOM 413 NZ LYS A 24 -1.185 -10.592 14.244 1.00 0.00 N ATOM 0 H LYS A 24 -1.677 -12.035 8.350 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.872 -13.845 10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.208 -10.859 9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.042 -11.674 10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.876 -12.353 11.926 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.001 -11.652 10.579 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.834 -9.405 11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.891 -10.053 12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.098 -10.498 12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.586 -8.957 13.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.404 -10.453 14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.038 -10.116 14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.375 -11.609 14.139 1.00 0.00 H new ATOM 427 N ALA A 25 -4.871 -12.869 7.730 1.00 0.00 N ATOM 428 CA ALA A 25 -6.174 -12.940 7.064 1.00 0.00 C ATOM 429 C ALA A 25 -6.200 -13.945 5.892 1.00 0.00 C ATOM 430 O ALA A 25 -6.835 -13.705 4.862 1.00 0.00 O ATOM 431 CB ALA A 25 -6.568 -11.526 6.621 1.00 0.00 C ATOM 0 H ALA A 25 -4.169 -12.422 7.141 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.909 -13.322 7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.537 -11.558 6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.630 -10.875 7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.818 -11.138 5.932 1.00 0.00 H new ATOM 437 N ARG A 26 -5.499 -15.077 6.049 1.00 0.00 N ATOM 438 CA ARG A 26 -5.396 -16.197 5.089 1.00 0.00 C ATOM 439 C ARG A 26 -6.717 -16.686 4.459 1.00 0.00 C ATOM 440 O ARG A 26 -6.696 -17.245 3.362 1.00 0.00 O ATOM 441 CB ARG A 26 -4.607 -17.361 5.732 1.00 0.00 C ATOM 442 CG ARG A 26 -5.297 -18.104 6.900 1.00 0.00 C ATOM 443 CD ARG A 26 -5.179 -17.407 8.265 1.00 0.00 C ATOM 444 NE ARG A 26 -5.953 -18.117 9.304 1.00 0.00 N ATOM 445 CZ ARG A 26 -5.812 -18.007 10.614 1.00 0.00 C ATOM 446 NH1 ARG A 26 -4.892 -17.259 11.156 1.00 0.00 N ATOM 447 NH2 ARG A 26 -6.608 -18.653 11.418 1.00 0.00 N ATOM 0 H ARG A 26 -4.956 -15.250 6.895 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.855 -15.791 4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.378 -18.089 4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.656 -16.970 6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.353 -18.227 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.869 -19.103 6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.131 -17.358 8.560 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.535 -16.380 8.182 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.673 -18.761 8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.249 -16.732 10.565 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.815 -17.200 12.171 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.345 -19.247 11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.495 -18.564 12.428 1.00 0.00 H new ATOM 461 N ASN A 27 -7.855 -16.490 5.130 1.00 0.00 N ATOM 462 CA ASN A 27 -9.198 -16.822 4.640 1.00 0.00 C ATOM 463 C ASN A 27 -9.564 -15.990 3.379 1.00 0.00 C ATOM 464 O ASN A 27 -9.476 -14.758 3.428 1.00 0.00 O ATOM 465 CB ASN A 27 -10.177 -16.574 5.806 1.00 0.00 C ATOM 466 CG ASN A 27 -11.580 -17.092 5.534 1.00 0.00 C ATOM 467 OD1 ASN A 27 -11.788 -18.251 5.212 1.00 0.00 O ATOM 468 ND2 ASN A 27 -12.589 -16.261 5.655 1.00 0.00 N ATOM 0 H ASN A 27 -7.868 -16.081 6.064 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.249 -17.864 4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.789 -17.052 6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.225 -15.504 6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.540 -16.585 5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.422 -15.291 5.924 1.00 0.00 H new ATOM 475 N PRO A 28 -10.003 -16.602 2.256 1.00 0.00 N ATOM 476 CA PRO A 28 -10.150 -15.911 0.968 1.00 0.00 C ATOM 477 C PRO A 28 -11.223 -14.812 0.957 1.00 0.00 C ATOM 478 O PRO A 28 -11.139 -13.889 0.147 1.00 0.00 O ATOM 479 CB PRO A 28 -10.429 -17.004 -0.070 1.00 0.00 C ATOM 480 CG PRO A 28 -11.030 -18.139 0.752 1.00 0.00 C ATOM 481 CD PRO A 28 -10.313 -18.014 2.094 1.00 0.00 C ATOM 0 HA PRO A 28 -9.235 -15.363 0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.119 -16.658 -0.840 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.516 -17.317 -0.577 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.109 -18.030 0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.852 -19.110 0.289 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.945 -18.370 2.908 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.405 -18.617 2.108 1.00 0.00 H new ATOM 489 N GLU A 29 -12.180 -14.853 1.889 1.00 0.00 N ATOM 490 CA GLU A 29 -13.186 -13.799 2.107 1.00 0.00 C ATOM 491 C GLU A 29 -12.560 -12.426 2.394 1.00 0.00 C ATOM 492 O GLU A 29 -13.074 -11.389 1.977 1.00 0.00 O ATOM 493 CB GLU A 29 -14.070 -14.213 3.294 1.00 0.00 C ATOM 494 CG GLU A 29 -15.479 -13.606 3.275 1.00 0.00 C ATOM 495 CD GLU A 29 -16.362 -14.227 2.174 1.00 0.00 C ATOM 496 OE1 GLU A 29 -16.973 -15.298 2.413 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.461 -13.647 1.065 1.00 0.00 O ATOM 0 H GLU A 29 -12.282 -15.639 2.531 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.768 -13.696 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.156 -15.300 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.574 -13.922 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.951 -13.756 4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.408 -12.530 3.118 1.00 0.00 H new ATOM 504 N LYS A 30 -11.418 -12.443 3.087 1.00 0.00 N ATOM 505 CA LYS A 30 -10.554 -11.287 3.351 1.00 0.00 C ATOM 506 C LYS A 30 -9.462 -11.137 2.296 1.00 0.00 C ATOM 507 O LYS A 30 -9.311 -10.048 1.744 1.00 0.00 O ATOM 508 CB LYS A 30 -9.933 -11.403 4.756 1.00 0.00 C ATOM 509 CG LYS A 30 -10.162 -10.153 5.620 1.00 0.00 C ATOM 510 CD LYS A 30 -11.594 -10.088 6.168 1.00 0.00 C ATOM 511 CE LYS A 30 -11.715 -8.937 7.176 1.00 0.00 C ATOM 512 NZ LYS A 30 -13.004 -8.997 7.914 1.00 0.00 N ATOM 0 H LYS A 30 -11.053 -13.302 3.499 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.174 -10.392 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.355 -12.271 5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.862 -11.580 4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.456 -10.152 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.960 -9.261 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.300 -9.942 5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.852 -11.032 6.648 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.887 -8.982 7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.637 -7.984 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.041 -8.226 8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.793 -8.896 7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.081 -9.911 8.404 1.00 0.00 H new ATOM 526 N LYS A 31 -8.745 -12.219 1.966 1.00 0.00 N ATOM 527 CA LYS A 31 -7.666 -12.267 0.960 1.00 0.00 C ATOM 528 C LYS A 31 -8.043 -11.709 -0.420 1.00 0.00 C ATOM 529 O LYS A 31 -7.180 -11.164 -1.104 1.00 0.00 O ATOM 530 CB LYS A 31 -7.109 -13.705 0.865 1.00 0.00 C ATOM 531 CG LYS A 31 -5.581 -13.840 0.951 1.00 0.00 C ATOM 532 CD LYS A 31 -4.807 -13.000 -0.072 1.00 0.00 C ATOM 533 CE LYS A 31 -3.353 -13.481 -0.147 1.00 0.00 C ATOM 534 NZ LYS A 31 -2.451 -12.426 -0.677 1.00 0.00 N ATOM 0 H LYS A 31 -8.904 -13.124 2.409 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.887 -11.591 1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.552 -14.299 1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.440 -14.141 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.260 -13.555 1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.314 -14.888 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.277 -13.080 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.837 -11.948 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.018 -13.781 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.294 -14.364 -0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.598 -12.867 -1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.943 -11.889 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.180 -11.782 0.093 1.00 0.00 H new ATOM 548 N SER A 32 -9.322 -11.771 -0.787 1.00 0.00 N ATOM 549 CA SER A 32 -9.872 -11.233 -2.049 1.00 0.00 C ATOM 550 C SER A 32 -10.553 -9.862 -1.910 1.00 0.00 C ATOM 551 O SER A 32 -11.109 -9.340 -2.877 1.00 0.00 O ATOM 552 CB SER A 32 -10.855 -12.231 -2.684 1.00 0.00 C ATOM 553 OG SER A 32 -10.313 -13.542 -2.740 1.00 0.00 O ATOM 0 H SER A 32 -10.034 -12.209 -0.202 1.00 0.00 H new ATOM 0 HA SER A 32 -9.007 -11.086 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.781 -12.245 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.110 -11.900 -3.691 1.00 0.00 H new ATOM 0 HG SER A 32 -10.426 -13.980 -1.871 1.00 0.00 H new ATOM 559 N VAL A 33 -10.485 -9.256 -0.721 1.00 0.00 N ATOM 560 CA VAL A 33 -11.059 -7.939 -0.384 1.00 0.00 C ATOM 561 C VAL A 33 -9.961 -6.941 -0.024 1.00 0.00 C ATOM 562 O VAL A 33 -9.970 -5.839 -0.579 1.00 0.00 O ATOM 563 CB VAL A 33 -12.119 -8.065 0.732 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.559 -6.714 1.313 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.372 -8.754 0.180 1.00 0.00 C ATOM 0 H VAL A 33 -10.008 -9.685 0.072 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.569 -7.552 -1.266 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.648 -8.643 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.304 -6.878 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.696 -6.203 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.990 -6.101 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.117 -8.841 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.780 -8.164 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.111 -9.748 -0.183 1.00 0.00 H new ATOM 575 N LEU A 34 -8.942 -7.315 0.772 1.00 0.00 N ATOM 576 CA LEU A 34 -7.747 -6.471 0.879 1.00 0.00 C ATOM 577 C LEU A 34 -6.954 -6.432 -0.445 1.00 0.00 C ATOM 578 O LEU A 34 -6.211 -5.485 -0.677 1.00 0.00 O ATOM 579 CB LEU A 34 -6.933 -6.770 2.157 1.00 0.00 C ATOM 580 CG LEU A 34 -5.803 -7.782 1.989 1.00 0.00 C ATOM 581 CD1 LEU A 34 -4.820 -7.786 3.157 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.294 -9.204 1.796 1.00 0.00 C ATOM 0 H LEU A 34 -8.923 -8.168 1.332 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.061 -5.437 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.510 -5.835 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.615 -7.136 2.925 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.295 -7.447 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.042 -8.527 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.366 -6.800 3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.349 -8.034 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.440 -9.872 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.880 -9.508 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.916 -9.256 0.902 1.00 0.00 H new ATOM 594 N GLN A 35 -7.157 -7.399 -1.356 1.00 0.00 N ATOM 595 CA GLN A 35 -6.540 -7.424 -2.689 1.00 0.00 C ATOM 596 C GLN A 35 -6.839 -6.171 -3.529 1.00 0.00 C ATOM 597 O GLN A 35 -5.971 -5.695 -4.261 1.00 0.00 O ATOM 598 CB GLN A 35 -7.008 -8.682 -3.447 1.00 0.00 C ATOM 599 CG GLN A 35 -5.829 -9.445 -4.071 1.00 0.00 C ATOM 600 CD GLN A 35 -6.247 -10.737 -4.779 1.00 0.00 C ATOM 601 OE1 GLN A 35 -7.412 -11.011 -5.043 1.00 0.00 O ATOM 602 NE2 GLN A 35 -5.305 -11.592 -5.120 1.00 0.00 N ATOM 0 H GLN A 35 -7.766 -8.199 -1.181 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.461 -7.442 -2.536 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.545 -9.339 -2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.710 -8.394 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.323 -8.796 -4.785 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.107 -9.684 -3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.328 -11.385 -4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.552 -12.461 -5.594 1.00 0.00 H new ATOM 611 N LYS A 36 -8.054 -5.613 -3.424 1.00 0.00 N ATOM 612 CA LYS A 36 -8.464 -4.445 -4.219 1.00 0.00 C ATOM 613 C LYS A 36 -7.849 -3.142 -3.701 1.00 0.00 C ATOM 614 O LYS A 36 -7.380 -2.333 -4.500 1.00 0.00 O ATOM 615 CB LYS A 36 -10.005 -4.407 -4.300 1.00 0.00 C ATOM 616 CG LYS A 36 -10.586 -3.528 -5.425 1.00 0.00 C ATOM 617 CD LYS A 36 -10.656 -4.185 -6.817 1.00 0.00 C ATOM 618 CE LYS A 36 -9.274 -4.507 -7.395 1.00 0.00 C ATOM 619 NZ LYS A 36 -9.321 -4.962 -8.806 1.00 0.00 N ATOM 0 H LYS A 36 -8.776 -5.955 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.074 -4.545 -5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.370 -5.425 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.393 -4.050 -3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.591 -3.220 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.984 -2.622 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.239 -5.103 -6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.184 -3.520 -7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.644 -3.620 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.804 -5.280 -6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.360 -5.196 -9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.925 -5.805 -8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.711 -4.204 -9.402 1.00 0.00 H new ATOM 633 N ILE A 37 -7.732 -2.998 -2.378 1.00 0.00 N ATOM 634 CA ILE A 37 -6.866 -1.995 -1.736 1.00 0.00 C ATOM 635 C ILE A 37 -5.404 -2.210 -2.154 1.00 0.00 C ATOM 636 O ILE A 37 -4.777 -1.252 -2.583 1.00 0.00 O ATOM 637 CB ILE A 37 -7.026 -2.080 -0.197 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.337 -1.480 0.350 1.00 0.00 C ATOM 639 CG2 ILE A 37 -5.875 -1.399 0.562 1.00 0.00 C ATOM 640 CD1 ILE A 37 -9.026 -2.416 1.351 1.00 0.00 C ATOM 0 H ILE A 37 -8.240 -3.579 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.163 -0.998 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.028 -3.156 -0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.125 -0.526 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.014 -1.274 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.042 -1.491 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.932 -1.878 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.834 -0.344 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.945 -1.952 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.263 -3.361 0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.360 -2.601 2.194 1.00 0.00 H new ATOM 652 N LEU A 38 -4.850 -3.428 -2.093 1.00 0.00 N ATOM 653 CA LEU A 38 -3.455 -3.692 -2.481 1.00 0.00 C ATOM 654 C LEU A 38 -3.154 -3.247 -3.925 1.00 0.00 C ATOM 655 O LEU A 38 -2.126 -2.611 -4.161 1.00 0.00 O ATOM 656 CB LEU A 38 -3.111 -5.183 -2.289 1.00 0.00 C ATOM 657 CG LEU A 38 -2.876 -5.634 -0.833 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.747 -7.156 -0.774 1.00 0.00 C ATOM 659 CD2 LEU A 38 -1.594 -5.036 -0.254 1.00 0.00 C ATOM 0 H LEU A 38 -5.353 -4.256 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.822 -3.096 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.920 -5.780 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.215 -5.408 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.730 -5.288 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.581 -7.467 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.663 -7.614 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.905 -7.474 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.465 -5.378 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.741 -5.355 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.661 -3.948 -0.269 1.00 0.00 H new ATOM 671 N GLU A 39 -4.050 -3.517 -4.880 1.00 0.00 N ATOM 672 CA GLU A 39 -3.886 -3.070 -6.270 1.00 0.00 C ATOM 673 C GLU A 39 -3.988 -1.548 -6.438 1.00 0.00 C ATOM 674 O GLU A 39 -3.194 -0.947 -7.162 1.00 0.00 O ATOM 675 CB GLU A 39 -4.922 -3.759 -7.179 1.00 0.00 C ATOM 676 CG GLU A 39 -4.599 -5.236 -7.453 1.00 0.00 C ATOM 677 CD GLU A 39 -5.702 -5.968 -8.252 1.00 0.00 C ATOM 678 OE1 GLU A 39 -6.549 -5.319 -8.916 1.00 0.00 O ATOM 679 OE2 GLU A 39 -5.725 -7.222 -8.232 1.00 0.00 O ATOM 0 H GLU A 39 -4.905 -4.048 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.876 -3.356 -6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.906 -3.689 -6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.977 -3.224 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.660 -5.299 -8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.447 -5.749 -6.503 1.00 0.00 H new ATOM 686 N ASP A 40 -4.921 -0.909 -5.738 1.00 0.00 N ATOM 687 CA ASP A 40 -5.056 0.537 -5.671 1.00 0.00 C ATOM 688 C ASP A 40 -3.848 1.207 -4.998 1.00 0.00 C ATOM 689 O ASP A 40 -3.393 2.256 -5.450 1.00 0.00 O ATOM 690 CB ASP A 40 -6.323 0.799 -4.853 1.00 0.00 C ATOM 691 CG ASP A 40 -7.642 0.794 -5.641 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.667 0.546 -6.871 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.674 1.058 -4.982 1.00 0.00 O ATOM 0 H ASP A 40 -5.624 -1.401 -5.186 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.112 0.957 -6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.388 0.045 -4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.220 1.765 -4.359 1.00 0.00 H new ATOM 698 N GLU A 41 -3.292 0.604 -3.942 1.00 0.00 N ATOM 699 CA GLU A 41 -2.146 1.175 -3.227 1.00 0.00 C ATOM 700 C GLU A 41 -0.879 1.043 -4.085 1.00 0.00 C ATOM 701 O GLU A 41 -0.108 1.996 -4.197 1.00 0.00 O ATOM 702 CB GLU A 41 -1.924 0.556 -1.825 1.00 0.00 C ATOM 703 CG GLU A 41 -2.950 0.780 -0.684 1.00 0.00 C ATOM 704 CD GLU A 41 -3.372 2.232 -0.459 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.754 3.199 -0.972 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.388 2.457 0.248 1.00 0.00 O ATOM 0 H GLU A 41 -3.619 -0.284 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.371 2.228 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.829 -0.521 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.961 0.918 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.841 0.189 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.527 0.394 0.243 1.00 0.00 H new ATOM 713 N GLU A 42 -0.704 -0.077 -4.792 1.00 0.00 N ATOM 714 CA GLU A 42 0.341 -0.222 -5.811 1.00 0.00 C ATOM 715 C GLU A 42 0.217 0.835 -6.926 1.00 0.00 C ATOM 716 O GLU A 42 1.234 1.371 -7.373 1.00 0.00 O ATOM 717 CB GLU A 42 0.334 -1.655 -6.368 1.00 0.00 C ATOM 718 CG GLU A 42 1.533 -1.931 -7.283 1.00 0.00 C ATOM 719 CD GLU A 42 1.597 -3.420 -7.681 1.00 0.00 C ATOM 720 OE1 GLU A 42 0.945 -3.816 -8.678 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.312 -4.202 -7.009 1.00 0.00 O ATOM 0 H GLU A 42 -1.282 -0.909 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 42 1.307 -0.043 -5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.341 -2.364 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.589 -1.822 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.460 -1.315 -8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.455 -1.647 -6.775 1.00 0.00 H new ATOM 728 N LYS A 43 -1.010 1.208 -7.324 1.00 0.00 N ATOM 729 CA LYS A 43 -1.253 2.304 -8.279 1.00 0.00 C ATOM 730 C LYS A 43 -0.809 3.668 -7.746 1.00 0.00 C ATOM 731 O LYS A 43 -0.195 4.431 -8.487 1.00 0.00 O ATOM 732 CB LYS A 43 -2.731 2.335 -8.729 1.00 0.00 C ATOM 733 CG LYS A 43 -2.878 2.443 -10.253 1.00 0.00 C ATOM 734 CD LYS A 43 -2.501 1.122 -10.943 1.00 0.00 C ATOM 735 CE LYS A 43 -2.465 1.287 -12.466 1.00 0.00 C ATOM 736 NZ LYS A 43 -1.648 0.215 -13.087 1.00 0.00 N ATOM 0 H LYS A 43 -1.863 0.758 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.633 2.096 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.232 1.432 -8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.234 3.180 -8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.905 2.707 -10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.242 3.246 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.527 0.787 -10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.221 0.349 -10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.479 1.256 -12.865 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.051 2.262 -12.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.592 0.371 -14.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.690 0.230 -12.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.088 -0.709 -12.901 1.00 0.00 H new ATOM 750 N HIS A 44 -1.027 3.978 -6.465 1.00 0.00 N ATOM 751 CA HIS A 44 -0.535 5.187 -5.842 1.00 0.00 C ATOM 752 C HIS A 44 0.987 5.212 -5.829 1.00 0.00 C ATOM 753 O HIS A 44 1.578 6.219 -6.200 1.00 0.00 O ATOM 754 CB HIS A 44 -1.087 5.228 -4.419 1.00 0.00 C ATOM 755 CG HIS A 44 -2.587 5.224 -4.292 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.310 5.004 -3.104 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.451 5.356 -5.336 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.603 4.969 -3.510 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.701 5.162 -4.833 1.00 0.00 N ATOM 0 H HIS A 44 -1.559 3.381 -5.832 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.864 6.061 -6.404 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.694 4.370 -3.873 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.703 6.122 -3.927 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.945 4.896 -2.157 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.195 5.572 -6.363 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.445 4.807 -2.853 1.00 0.00 H new ATOM 767 N ILE A 45 1.619 4.093 -5.465 1.00 0.00 N ATOM 768 CA ILE A 45 3.070 3.919 -5.483 1.00 0.00 C ATOM 769 C ILE A 45 3.645 4.061 -6.908 1.00 0.00 C ATOM 770 O ILE A 45 4.684 4.703 -7.051 1.00 0.00 O ATOM 771 CB ILE A 45 3.437 2.594 -4.762 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.604 2.798 -3.234 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.741 1.976 -5.288 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.339 3.115 -2.429 1.00 0.00 C ATOM 0 H ILE A 45 1.121 3.263 -5.142 1.00 0.00 H new ATOM 0 HA ILE A 45 3.550 4.722 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 45 2.605 1.921 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.051 1.895 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.317 3.608 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.949 1.052 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.638 1.760 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.562 2.677 -5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.597 3.233 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.894 4.039 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.625 2.299 -2.538 1.00 0.00 H new ATOM 786 N GLU A 46 2.979 3.579 -7.970 1.00 0.00 N ATOM 787 CA GLU A 46 3.385 3.855 -9.354 1.00 0.00 C ATOM 788 C GLU A 46 3.483 5.357 -9.627 1.00 0.00 C ATOM 789 O GLU A 46 4.493 5.832 -10.147 1.00 0.00 O ATOM 790 CB GLU A 46 2.409 3.238 -10.376 1.00 0.00 C ATOM 791 CG GLU A 46 2.676 1.768 -10.686 1.00 0.00 C ATOM 792 CD GLU A 46 1.953 1.317 -11.971 1.00 0.00 C ATOM 793 OE1 GLU A 46 2.520 1.480 -13.080 1.00 0.00 O ATOM 794 OE2 GLU A 46 0.820 0.782 -11.895 1.00 0.00 O ATOM 0 H GLU A 46 2.149 2.991 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 46 4.367 3.397 -9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.392 3.339 -9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.462 3.809 -11.303 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.749 1.608 -10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.347 1.153 -9.848 1.00 0.00 H new ATOM 801 N TRP A 47 2.453 6.116 -9.257 1.00 0.00 N ATOM 802 CA TRP A 47 2.375 7.545 -9.523 1.00 0.00 C ATOM 803 C TRP A 47 3.335 8.341 -8.634 1.00 0.00 C ATOM 804 O TRP A 47 4.026 9.229 -9.122 1.00 0.00 O ATOM 805 CB TRP A 47 0.929 8.005 -9.316 1.00 0.00 C ATOM 806 CG TRP A 47 -0.169 7.239 -10.005 1.00 0.00 C ATOM 807 CD1 TRP A 47 -0.065 6.474 -11.119 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.564 7.133 -9.593 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.284 5.868 -11.382 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.253 6.257 -10.480 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.312 7.689 -8.539 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.614 5.950 -10.319 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.680 7.405 -8.367 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.330 6.525 -9.251 1.00 0.00 C ATOM 0 H TRP A 47 1.642 5.749 -8.759 1.00 0.00 H new ATOM 0 HA TRP A 47 2.678 7.730 -10.554 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.725 7.988 -8.245 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.861 9.044 -9.637 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.830 6.355 -11.711 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.445 5.215 -12.149 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.823 8.353 -7.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.107 5.280 -11.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.230 7.862 -7.557 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.375 6.291 -9.111 1.00 0.00 H new ATOM 825 N LEU A 48 3.438 7.981 -7.355 1.00 0.00 N ATOM 826 CA LEU A 48 4.395 8.521 -6.392 1.00 0.00 C ATOM 827 C LEU A 48 5.839 8.376 -6.882 1.00 0.00 C ATOM 828 O LEU A 48 6.578 9.357 -6.890 1.00 0.00 O ATOM 829 CB LEU A 48 4.173 7.803 -5.047 1.00 0.00 C ATOM 830 CG LEU A 48 2.983 8.347 -4.237 1.00 0.00 C ATOM 831 CD1 LEU A 48 2.633 7.394 -3.093 1.00 0.00 C ATOM 832 CD2 LEU A 48 3.285 9.718 -3.625 1.00 0.00 C ATOM 0 H LEU A 48 2.829 7.273 -6.944 1.00 0.00 H new ATOM 0 HA LEU A 48 4.230 9.591 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.016 6.741 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.078 7.890 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 48 2.150 8.438 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.789 7.795 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.367 6.419 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.493 7.289 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.418 10.064 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.143 9.637 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.509 10.430 -4.420 1.00 0.00 H new ATOM 844 N GLU A 49 6.225 7.198 -7.372 1.00 0.00 N ATOM 845 CA GLU A 49 7.535 6.983 -8.008 1.00 0.00 C ATOM 846 C GLU A 49 7.673 7.797 -9.300 1.00 0.00 C ATOM 847 O GLU A 49 8.687 8.469 -9.496 1.00 0.00 O ATOM 848 CB GLU A 49 7.758 5.488 -8.303 1.00 0.00 C ATOM 849 CG GLU A 49 9.219 5.033 -8.153 1.00 0.00 C ATOM 850 CD GLU A 49 10.183 5.635 -9.197 1.00 0.00 C ATOM 851 OE1 GLU A 49 10.006 5.380 -10.412 1.00 0.00 O ATOM 852 OE2 GLU A 49 11.157 6.319 -8.796 1.00 0.00 O ATOM 0 H GLU A 49 5.641 6.362 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 49 8.297 7.325 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.134 4.898 -7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.424 5.275 -9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.570 5.300 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.258 3.946 -8.224 1.00 0.00 H new ATOM 859 N THR A 50 6.632 7.813 -10.142 1.00 0.00 N ATOM 860 CA THR A 50 6.613 8.631 -11.369 1.00 0.00 C ATOM 861 C THR A 50 6.777 10.140 -11.103 1.00 0.00 C ATOM 862 O THR A 50 7.278 10.872 -11.960 1.00 0.00 O ATOM 863 CB THR A 50 5.339 8.295 -12.160 1.00 0.00 C ATOM 864 OG1 THR A 50 5.548 7.088 -12.868 1.00 0.00 O ATOM 865 CG2 THR A 50 4.902 9.327 -13.187 1.00 0.00 C ATOM 0 H THR A 50 5.784 7.265 -9.997 1.00 0.00 H new ATOM 0 HA THR A 50 7.486 8.378 -11.971 1.00 0.00 H new ATOM 0 HB THR A 50 4.553 8.244 -11.406 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.277 6.330 -12.309 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.994 8.985 -13.683 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.707 10.277 -12.688 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.691 9.461 -13.927 1.00 0.00 H new ATOM 873 N ILE A 51 6.420 10.603 -9.903 1.00 0.00 N ATOM 874 CA ILE A 51 6.435 12.017 -9.483 1.00 0.00 C ATOM 875 C ILE A 51 7.685 12.391 -8.658 1.00 0.00 C ATOM 876 O ILE A 51 8.028 13.568 -8.536 1.00 0.00 O ATOM 877 CB ILE A 51 5.080 12.338 -8.793 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.930 12.306 -9.833 1.00 0.00 C ATOM 879 CG2 ILE A 51 5.061 13.701 -8.085 1.00 0.00 C ATOM 880 CD1 ILE A 51 2.526 12.248 -9.214 1.00 0.00 C ATOM 0 H ILE A 51 6.098 9.981 -9.162 1.00 0.00 H new ATOM 0 HA ILE A 51 6.526 12.660 -10.358 1.00 0.00 H new ATOM 0 HB ILE A 51 4.943 11.570 -8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.001 13.192 -10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.065 11.441 -10.482 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.085 13.859 -7.626 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.832 13.722 -7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.252 14.491 -8.811 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.779 12.228 -10.008 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.433 11.348 -8.606 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.368 13.126 -8.588 1.00 0.00 H new ATOM 892 N ASN A 52 8.430 11.403 -8.165 1.00 0.00 N ATOM 893 CA ASN A 52 9.621 11.555 -7.309 1.00 0.00 C ATOM 894 C ASN A 52 10.908 12.046 -8.037 1.00 0.00 C ATOM 895 O ASN A 52 12.025 11.773 -7.585 1.00 0.00 O ATOM 896 CB ASN A 52 9.824 10.234 -6.537 1.00 0.00 C ATOM 897 CG ASN A 52 10.773 10.359 -5.353 1.00 0.00 C ATOM 898 OD1 ASN A 52 10.750 11.322 -4.597 1.00 0.00 O ATOM 899 ND2 ASN A 52 11.616 9.376 -5.129 1.00 0.00 N ATOM 0 H ASN A 52 8.215 10.425 -8.357 1.00 0.00 H new ATOM 0 HA ASN A 52 9.431 12.373 -6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.857 9.879 -6.181 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.209 9.478 -7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.247 9.418 -4.329 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.639 8.571 -5.756 1.00 0.00 H new ATOM 967 N LEU B 4 -6.726 -4.749 12.492 1.00 0.00 N ATOM 968 CA LEU B 4 -7.561 -4.035 11.520 1.00 0.00 C ATOM 969 C LEU B 4 -7.554 -2.512 11.775 1.00 0.00 C ATOM 970 O LEU B 4 -7.366 -1.729 10.843 1.00 0.00 O ATOM 971 CB LEU B 4 -8.955 -4.717 11.530 1.00 0.00 C ATOM 972 CG LEU B 4 -10.187 -3.803 11.467 1.00 0.00 C ATOM 973 CD1 LEU B 4 -10.379 -3.119 10.108 1.00 0.00 C ATOM 974 CD2 LEU B 4 -11.458 -4.604 11.745 1.00 0.00 C ATOM 0 HA LEU B 4 -7.167 -4.108 10.506 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.001 -5.403 10.684 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.029 -5.320 12.435 1.00 0.00 H new ATOM 0 HG LEU B 4 -10.011 -3.037 12.222 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -11.269 -2.490 10.140 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -9.507 -2.504 9.884 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -10.498 -3.876 9.333 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -12.323 -3.942 11.697 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -11.562 -5.392 10.999 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -11.397 -5.050 12.738 1.00 0.00 H new ATOM 986 N ARG B 5 -7.679 -2.074 13.037 1.00 0.00 N ATOM 987 CA ARG B 5 -7.625 -0.646 13.426 1.00 0.00 C ATOM 988 C ARG B 5 -6.322 0.028 12.972 1.00 0.00 C ATOM 989 O ARG B 5 -6.322 1.170 12.512 1.00 0.00 O ATOM 990 CB ARG B 5 -7.792 -0.529 14.959 1.00 0.00 C ATOM 991 CG ARG B 5 -9.056 0.245 15.355 1.00 0.00 C ATOM 992 CD ARG B 5 -9.213 0.241 16.882 1.00 0.00 C ATOM 993 NE ARG B 5 -10.382 1.031 17.316 1.00 0.00 N ATOM 994 CZ ARG B 5 -10.924 1.038 18.522 1.00 0.00 C ATOM 995 NH1 ARG B 5 -10.471 0.294 19.493 1.00 0.00 N ATOM 996 NH2 ARG B 5 -11.945 1.803 18.781 1.00 0.00 N ATOM 0 H ARG B 5 -7.822 -2.702 13.828 1.00 0.00 H new ATOM 0 HA ARG B 5 -8.441 -0.125 12.924 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -7.830 -1.528 15.394 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -6.918 -0.031 15.379 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -8.995 1.270 14.990 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -9.931 -0.208 14.889 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -9.317 -0.785 17.234 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -8.311 0.645 17.341 1.00 0.00 H new ATOM 0 HE ARG B 5 -10.815 1.632 16.615 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -9.672 -0.320 19.335 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -10.916 0.327 20.410 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -12.332 2.402 18.051 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -12.358 1.804 19.714 1.00 0.00 H new ATOM 1010 N GLU B 6 -5.220 -0.718 13.064 1.00 0.00 N ATOM 1011 CA GLU B 6 -3.870 -0.296 12.680 1.00 0.00 C ATOM 1012 C GLU B 6 -3.742 0.023 11.174 1.00 0.00 C ATOM 1013 O GLU B 6 -3.051 0.970 10.791 1.00 0.00 O ATOM 1014 CB GLU B 6 -2.890 -1.412 13.098 1.00 0.00 C ATOM 1015 CG GLU B 6 -1.456 -0.908 13.298 1.00 0.00 C ATOM 1016 CD GLU B 6 -1.290 -0.140 14.626 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -0.964 -0.773 15.660 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -1.477 1.101 14.646 1.00 0.00 O ATOM 0 H GLU B 6 -5.244 -1.672 13.423 1.00 0.00 H new ATOM 0 HA GLU B 6 -3.635 0.637 13.192 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.241 -1.868 14.024 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -2.892 -2.193 12.337 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.769 -1.754 13.281 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.182 -0.258 12.467 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.456 -0.729 10.325 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.536 -0.519 8.872 1.00 0.00 C ATOM 1027 C LEU B 7 -5.226 0.815 8.560 1.00 0.00 C ATOM 1028 O LEU B 7 -4.645 1.689 7.919 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.309 -1.693 8.220 1.00 0.00 C ATOM 1030 CG LEU B 7 -4.690 -3.077 8.442 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -5.602 -4.176 7.900 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -3.313 -3.227 7.816 1.00 0.00 C ATOM 0 H LEU B 7 -5.011 -1.525 10.640 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.527 -0.484 8.461 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.327 -1.700 8.610 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.380 -1.511 7.148 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.577 -3.178 9.521 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.140 -5.149 8.070 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -6.563 -4.136 8.412 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -5.754 -4.028 6.831 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -2.932 -4.230 8.010 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -3.383 -3.068 6.740 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.635 -2.491 8.248 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.445 0.972 9.081 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.353 2.118 8.921 1.00 0.00 C ATOM 1046 C TYR B 8 -6.695 3.451 9.295 1.00 0.00 C ATOM 1047 O TYR B 8 -6.841 4.440 8.576 1.00 0.00 O ATOM 1048 CB TYR B 8 -8.557 1.840 9.857 1.00 0.00 C ATOM 1049 CG TYR B 8 -9.935 2.305 9.406 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.133 3.589 8.858 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.046 1.459 9.610 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.427 4.018 8.507 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.344 1.890 9.273 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.535 3.175 8.717 1.00 0.00 C ATOM 1055 OH TYR B 8 -13.782 3.617 8.400 1.00 0.00 O ATOM 0 H TYR B 8 -6.857 0.249 9.671 1.00 0.00 H new ATOM 0 HA TYR B 8 -7.648 2.215 7.876 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -8.607 0.764 10.027 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.346 2.305 10.820 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.289 4.246 8.707 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -10.900 0.474 10.028 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -11.570 4.997 8.075 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.191 1.240 9.439 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.438 2.918 8.603 1.00 0.00 H new ATOM 1065 N LYS B 9 -5.955 3.495 10.407 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.352 4.747 10.891 1.00 0.00 C ATOM 1067 C LYS B 9 -4.242 5.288 9.988 1.00 0.00 C ATOM 1068 O LYS B 9 -4.247 6.477 9.673 1.00 0.00 O ATOM 1069 CB LYS B 9 -4.892 4.566 12.351 1.00 0.00 C ATOM 1070 CG LYS B 9 -4.759 5.884 13.134 1.00 0.00 C ATOM 1071 CD LYS B 9 -6.128 6.514 13.459 1.00 0.00 C ATOM 1072 CE LYS B 9 -6.018 7.788 14.309 1.00 0.00 C ATOM 1073 NZ LYS B 9 -5.573 7.512 15.702 1.00 0.00 N ATOM 0 H LYS B 9 -5.758 2.682 10.990 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.122 5.518 10.856 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -5.601 3.919 12.867 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -3.930 4.053 12.357 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -4.217 5.699 14.062 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -4.165 6.590 12.553 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -6.643 6.749 12.528 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -6.741 5.784 13.987 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -5.316 8.475 13.837 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -6.986 8.288 14.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -5.516 8.405 16.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -6.255 6.878 16.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -4.637 7.059 15.684 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.353 4.427 9.492 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.382 4.770 8.454 1.00 0.00 C ATOM 1089 C LEU B 10 -3.066 5.125 7.123 1.00 0.00 C ATOM 1090 O LEU B 10 -2.722 6.120 6.486 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.381 3.619 8.270 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.341 3.522 9.400 1.00 0.00 C ATOM 1093 CD1 LEU B 10 0.369 2.175 9.317 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.720 4.621 9.289 1.00 0.00 C ATOM 0 H LEU B 10 -3.287 3.458 9.805 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.842 5.659 8.779 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -1.928 2.678 8.209 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.862 3.748 7.320 1.00 0.00 H new ATOM 0 HG LEU B 10 -0.871 3.635 10.346 1.00 0.00 H new ATOM 0 HD11 LEU B 10 1.107 2.103 10.116 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.361 1.372 9.423 1.00 0.00 H new ATOM 0 HD13 LEU B 10 0.869 2.086 8.353 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.436 4.519 10.104 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.240 4.530 8.336 1.00 0.00 H new ATOM 0 HD23 LEU B 10 0.240 5.598 9.348 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.092 4.356 6.751 1.00 0.00 N ATOM 1107 CA GLU B 11 -5.004 4.635 5.636 1.00 0.00 C ATOM 1108 C GLU B 11 -5.644 6.041 5.723 1.00 0.00 C ATOM 1109 O GLU B 11 -5.805 6.686 4.685 1.00 0.00 O ATOM 1110 CB GLU B 11 -6.041 3.481 5.572 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.660 2.305 4.650 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.727 2.616 3.151 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -4.921 3.303 2.500 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.505 2.108 2.324 1.00 0.00 O ATOM 0 H GLU B 11 -4.320 3.488 7.236 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.448 4.665 4.699 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.195 3.096 6.580 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -6.995 3.889 5.238 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.648 1.983 4.895 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.322 1.466 4.863 1.00 0.00 H new ATOM 1121 N GLN B 12 -5.917 6.582 6.923 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.408 7.950 7.098 1.00 0.00 C ATOM 1123 C GLN B 12 -5.342 9.025 7.292 1.00 0.00 C ATOM 1124 O GLN B 12 -5.584 10.179 6.943 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.407 7.987 8.251 1.00 0.00 C ATOM 1126 CG GLN B 12 -8.712 7.337 7.797 1.00 0.00 C ATOM 1127 CD GLN B 12 -9.811 7.405 8.857 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -9.611 7.124 10.031 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.017 7.794 8.491 1.00 0.00 N ATOM 0 H GLN B 12 -5.801 6.075 7.801 1.00 0.00 H new ATOM 0 HA GLN B 12 -6.879 8.206 6.149 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.004 7.459 9.116 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -7.587 9.016 8.561 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.060 7.828 6.888 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.523 6.294 7.543 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.202 8.032 7.517 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -11.764 7.857 9.182 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.151 8.683 7.769 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.033 9.632 7.799 1.00 0.00 C ATOM 1140 C GLN B 13 -2.605 10.057 6.394 1.00 0.00 C ATOM 1141 O GLN B 13 -2.301 11.234 6.200 1.00 0.00 O ATOM 1142 CB GLN B 13 -1.837 9.070 8.587 1.00 0.00 C ATOM 1143 CG GLN B 13 -1.945 9.393 10.083 1.00 0.00 C ATOM 1144 CD GLN B 13 -0.707 8.928 10.850 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -0.483 7.745 11.068 1.00 0.00 O ATOM 1146 NE2 GLN B 13 0.149 9.830 11.286 1.00 0.00 N ATOM 0 H GLN B 13 -3.930 7.759 8.141 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.391 10.522 8.317 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -1.785 7.990 8.450 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -0.911 9.486 8.190 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -2.074 10.467 10.215 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -2.832 8.912 10.496 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -0.022 10.821 11.113 1.00 0.00 H new ATOM 0 HE22 GLN B 13 0.982 9.538 11.796 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.665 9.166 5.395 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.452 9.563 4.006 1.00 0.00 C ATOM 1157 C ALA B 14 -3.578 10.490 3.533 1.00 0.00 C ATOM 1158 O ALA B 14 -3.298 11.532 2.955 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.340 8.300 3.142 1.00 0.00 C ATOM 0 H ALA B 14 -2.858 8.173 5.526 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.524 10.127 3.914 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.181 8.584 2.102 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.500 7.697 3.486 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.260 7.721 3.223 1.00 0.00 H new ATOM 1165 N MET B 15 -4.837 10.169 3.848 1.00 0.00 N ATOM 1166 CA MET B 15 -6.021 10.971 3.483 1.00 0.00 C ATOM 1167 C MET B 15 -5.969 12.390 4.069 1.00 0.00 C ATOM 1168 O MET B 15 -6.275 13.362 3.376 1.00 0.00 O ATOM 1169 CB MET B 15 -7.287 10.236 3.954 1.00 0.00 C ATOM 1170 CG MET B 15 -8.587 10.942 3.541 1.00 0.00 C ATOM 1171 SD MET B 15 -9.830 9.835 2.829 1.00 0.00 S ATOM 1172 CE MET B 15 -9.019 9.574 1.233 1.00 0.00 C ATOM 0 H MET B 15 -5.072 9.328 4.375 1.00 0.00 H new ATOM 0 HA MET B 15 -6.036 11.084 2.399 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.285 9.225 3.546 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.262 10.142 5.040 1.00 0.00 H new ATOM 0 HG2 MET B 15 -9.013 11.437 4.414 1.00 0.00 H new ATOM 0 HG3 MET B 15 -8.351 11.721 2.816 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.244 8.571 0.870 1.00 0.00 H new ATOM 0 HE2 MET B 15 -9.382 10.310 0.516 1.00 0.00 H new ATOM 0 HE3 MET B 15 -7.941 9.684 1.350 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.542 12.528 5.328 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.409 13.824 6.004 1.00 0.00 C ATOM 1184 C LYS B 16 -4.287 14.668 5.407 1.00 0.00 C ATOM 1185 O LYS B 16 -4.472 15.864 5.184 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.192 13.560 7.497 1.00 0.00 C ATOM 1187 CG LYS B 16 -5.490 14.796 8.370 1.00 0.00 C ATOM 1188 CD LYS B 16 -6.415 14.482 9.559 1.00 0.00 C ATOM 1189 CE LYS B 16 -7.841 14.139 9.097 1.00 0.00 C ATOM 1190 NZ LYS B 16 -8.743 13.868 10.247 1.00 0.00 N ATOM 0 H LYS B 16 -5.276 11.736 5.913 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.320 14.406 5.862 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -5.831 12.735 7.812 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.161 13.245 7.660 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -4.551 15.204 8.745 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -5.950 15.568 7.753 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -6.006 13.647 10.127 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -6.447 15.339 10.231 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -8.241 14.964 8.508 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -7.812 13.266 8.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -9.695 13.641 9.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -8.375 13.064 10.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -8.791 14.709 10.856 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.160 14.037 5.067 1.00 0.00 N ATOM 1205 CA LEU B 17 -2.105 14.674 4.282 1.00 0.00 C ATOM 1206 C LEU B 17 -2.589 15.091 2.889 1.00 0.00 C ATOM 1207 O LEU B 17 -2.349 16.217 2.469 1.00 0.00 O ATOM 1208 CB LEU B 17 -0.886 13.735 4.218 1.00 0.00 C ATOM 1209 CG LEU B 17 0.328 14.436 4.837 1.00 0.00 C ATOM 1210 CD1 LEU B 17 1.451 13.437 5.060 1.00 0.00 C ATOM 1211 CD2 LEU B 17 0.863 15.582 3.975 1.00 0.00 C ATOM 0 H LEU B 17 -2.956 13.073 5.328 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.810 15.600 4.776 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.097 12.809 4.753 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.675 13.464 3.183 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.014 14.858 5.782 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.309 13.946 5.500 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.110 12.651 5.734 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.741 12.996 4.106 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.722 16.038 4.468 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.166 15.195 3.002 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.083 16.331 3.840 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.331 14.219 2.209 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.921 14.441 0.893 1.00 0.00 C ATOM 1225 C TYR B 18 -4.905 15.623 0.846 1.00 0.00 C ATOM 1226 O TYR B 18 -4.906 16.354 -0.147 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.546 13.125 0.390 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.606 12.268 -0.443 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -2.997 12.822 -1.582 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.326 10.933 -0.089 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -2.063 12.080 -2.327 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.384 10.186 -0.824 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.748 10.763 -1.947 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.849 10.057 -2.685 1.00 0.00 O ATOM 0 H TYR B 18 -3.547 13.294 2.580 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.122 14.738 0.213 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -4.884 12.545 1.249 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.429 13.359 -0.204 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.249 13.827 -1.888 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.835 10.481 0.749 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.588 12.521 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.148 9.174 -0.530 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.736 9.165 -2.296 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.679 15.889 1.912 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.503 17.114 2.031 1.00 0.00 C ATOM 1246 C ARG B 19 -5.662 18.395 1.985 1.00 0.00 C ATOM 1247 O ARG B 19 -5.992 19.327 1.252 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.331 17.084 3.328 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.553 16.156 3.238 1.00 0.00 C ATOM 1250 CD ARG B 19 -9.289 16.033 4.583 1.00 0.00 C ATOM 1251 NE ARG B 19 -9.699 17.341 5.143 1.00 0.00 N ATOM 1252 CZ ARG B 19 -10.747 18.076 4.809 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -11.601 17.704 3.899 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -10.957 19.221 5.395 1.00 0.00 N ATOM 0 H ARG B 19 -5.754 15.266 2.716 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.170 17.127 1.169 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -6.695 16.759 4.151 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -7.665 18.095 3.563 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -9.241 16.536 2.483 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -8.233 15.167 2.909 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -10.172 15.408 4.451 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -8.643 15.525 5.299 1.00 0.00 H new ATOM 0 HE ARG B 19 -9.100 17.722 5.876 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -11.475 16.816 3.414 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -12.396 18.301 3.671 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -10.313 19.552 6.113 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -11.766 19.786 5.136 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.566 18.443 2.739 1.00 0.00 N ATOM 1269 CA GLU B 20 -3.686 19.624 2.811 1.00 0.00 C ATOM 1270 C GLU B 20 -2.819 19.774 1.563 1.00 0.00 C ATOM 1271 O GLU B 20 -2.684 20.866 1.017 1.00 0.00 O ATOM 1272 CB GLU B 20 -2.785 19.503 4.047 1.00 0.00 C ATOM 1273 CG GLU B 20 -2.407 20.880 4.606 1.00 0.00 C ATOM 1274 CD GLU B 20 -1.551 20.752 5.881 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -2.124 20.682 6.996 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -0.300 20.733 5.780 1.00 0.00 O ATOM 0 H GLU B 20 -4.256 17.665 3.322 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.318 20.509 2.880 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.297 18.925 4.816 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.880 18.954 3.786 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.857 21.443 3.851 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -3.312 21.445 4.828 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.296 18.653 1.073 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.615 18.557 -0.213 1.00 0.00 C ATOM 1285 C ALA B 21 -2.495 19.077 -1.361 1.00 0.00 C ATOM 1286 O ALA B 21 -2.000 19.818 -2.203 1.00 0.00 O ATOM 1287 CB ALA B 21 -1.183 17.107 -0.449 1.00 0.00 C ATOM 0 H ALA B 21 -2.336 17.765 1.573 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.729 19.192 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.673 17.031 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.506 16.795 0.346 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -2.061 16.462 -0.452 1.00 0.00 H new ATOM 1293 N SER B 22 -3.798 18.767 -1.377 1.00 0.00 N ATOM 1294 CA SER B 22 -4.747 19.303 -2.367 1.00 0.00 C ATOM 1295 C SER B 22 -4.906 20.830 -2.275 1.00 0.00 C ATOM 1296 O SER B 22 -4.996 21.502 -3.304 1.00 0.00 O ATOM 1297 CB SER B 22 -6.110 18.621 -2.205 1.00 0.00 C ATOM 1298 OG SER B 22 -6.959 18.917 -3.301 1.00 0.00 O ATOM 0 H SER B 22 -4.227 18.135 -0.701 1.00 0.00 H new ATOM 0 HA SER B 22 -4.337 19.087 -3.354 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.974 17.542 -2.127 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.578 18.952 -1.278 1.00 0.00 H new ATOM 0 HG SER B 22 -7.822 18.470 -3.176 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.877 21.407 -1.064 1.00 0.00 N ATOM 1305 CA GLU B 23 -4.895 22.867 -0.877 1.00 0.00 C ATOM 1306 C GLU B 23 -3.594 23.522 -1.380 1.00 0.00 C ATOM 1307 O GLU B 23 -3.619 24.515 -2.113 1.00 0.00 O ATOM 1308 CB GLU B 23 -5.107 23.185 0.612 1.00 0.00 C ATOM 1309 CG GLU B 23 -5.519 24.638 0.889 1.00 0.00 C ATOM 1310 CD GLU B 23 -6.951 24.942 0.401 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -7.922 24.663 1.145 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -7.116 25.473 -0.725 1.00 0.00 O ATOM 0 H GLU B 23 -4.841 20.879 -0.192 1.00 0.00 H new ATOM 0 HA GLU B 23 -5.716 23.278 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -5.873 22.519 1.009 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -4.186 22.970 1.153 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -5.452 24.835 1.959 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -4.819 25.312 0.397 1.00 0.00 H new ATOM 1319 N LYS B 24 -2.445 22.935 -1.017 1.00 0.00 N ATOM 1320 CA LYS B 24 -1.094 23.362 -1.439 1.00 0.00 C ATOM 1321 C LYS B 24 -0.933 23.299 -2.966 1.00 0.00 C ATOM 1322 O LYS B 24 -0.474 24.255 -3.590 1.00 0.00 O ATOM 1323 CB LYS B 24 -0.046 22.486 -0.714 1.00 0.00 C ATOM 1324 CG LYS B 24 1.216 23.228 -0.247 1.00 0.00 C ATOM 1325 CD LYS B 24 2.072 23.833 -1.369 1.00 0.00 C ATOM 1326 CE LYS B 24 3.375 24.379 -0.768 1.00 0.00 C ATOM 1327 NZ LYS B 24 4.240 25.014 -1.798 1.00 0.00 N ATOM 0 H LYS B 24 -2.425 22.122 -0.401 1.00 0.00 H new ATOM 0 HA LYS B 24 -0.941 24.405 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -0.519 22.025 0.153 1.00 0.00 H new ATOM 0 HB3 LYS B 24 0.253 21.678 -1.382 1.00 0.00 H new ATOM 0 HG2 LYS B 24 0.918 24.027 0.432 1.00 0.00 H new ATOM 0 HG3 LYS B 24 1.833 22.536 0.326 1.00 0.00 H new ATOM 0 HD2 LYS B 24 2.293 23.077 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS B 24 1.525 24.632 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS B 24 3.139 25.108 0.007 1.00 0.00 H new ATOM 0 HE3 LYS B 24 3.920 23.567 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 5.109 25.369 -1.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 4.487 24.312 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 3.730 25.805 -2.240 1.00 0.00 H new ATOM 1341 N ALA B 25 -1.381 22.197 -3.566 1.00 0.00 N ATOM 1342 CA ALA B 25 -1.267 21.843 -4.981 1.00 0.00 C ATOM 1343 C ALA B 25 -2.450 22.330 -5.844 1.00 0.00 C ATOM 1344 O ALA B 25 -2.847 21.646 -6.787 1.00 0.00 O ATOM 1345 CB ALA B 25 -1.112 20.318 -5.068 1.00 0.00 C ATOM 0 H ALA B 25 -1.869 21.475 -3.037 1.00 0.00 H new ATOM 0 HA ALA B 25 -0.396 22.353 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -1.024 20.020 -6.113 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.217 20.012 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.985 19.838 -4.626 1.00 0.00 H new ATOM 1351 N ARG B 26 -3.037 23.494 -5.528 1.00 0.00 N ATOM 1352 CA ARG B 26 -4.200 24.083 -6.230 1.00 0.00 C ATOM 1353 C ARG B 26 -4.091 24.203 -7.767 1.00 0.00 C ATOM 1354 O ARG B 26 -5.116 24.304 -8.439 1.00 0.00 O ATOM 1355 CB ARG B 26 -4.624 25.401 -5.551 1.00 0.00 C ATOM 1356 CG ARG B 26 -3.758 26.640 -5.852 1.00 0.00 C ATOM 1357 CD ARG B 26 -2.352 26.585 -5.242 1.00 0.00 C ATOM 1358 NE ARG B 26 -1.619 27.844 -5.482 1.00 0.00 N ATOM 1359 CZ ARG B 26 -0.693 28.385 -4.709 1.00 0.00 C ATOM 1360 NH1 ARG B 26 -0.281 27.812 -3.612 1.00 0.00 N ATOM 1361 NH2 ARG B 26 -0.155 29.526 -5.031 1.00 0.00 N ATOM 0 H ARG B 26 -2.710 24.073 -4.755 1.00 0.00 H new ATOM 0 HA ARG B 26 -4.998 23.349 -6.120 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.650 25.622 -5.846 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -4.630 25.243 -4.473 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -3.669 26.754 -6.932 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -4.270 27.527 -5.479 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -2.424 26.401 -4.170 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -1.798 25.750 -5.672 1.00 0.00 H new ATOM 0 HE ARG B 26 -1.852 28.351 -6.336 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -0.675 26.916 -3.325 1.00 0.00 H new ATOM 0 HH12 ARG B 26 0.436 28.260 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -0.448 30.006 -5.882 1.00 0.00 H new ATOM 0 HH22 ARG B 26 0.559 29.940 -4.432 1.00 0.00 H new ATOM 1375 N ASN B 27 -2.876 24.170 -8.327 1.00 0.00 N ATOM 1376 CA ASN B 27 -2.605 24.077 -9.769 1.00 0.00 C ATOM 1377 C ASN B 27 -3.229 22.794 -10.387 1.00 0.00 C ATOM 1378 O ASN B 27 -2.999 21.698 -9.864 1.00 0.00 O ATOM 1379 CB ASN B 27 -1.075 24.123 -9.948 1.00 0.00 C ATOM 1380 CG ASN B 27 -0.657 24.198 -11.406 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -0.889 25.183 -12.091 1.00 0.00 O ATOM 1382 ND2 ASN B 27 -0.040 23.166 -11.936 1.00 0.00 N ATOM 0 H ASN B 27 -2.023 24.209 -7.769 1.00 0.00 H new ATOM 0 HA ASN B 27 -3.068 24.909 -10.300 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -0.677 24.987 -9.415 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -0.633 23.236 -9.493 1.00 0.00 H new ATOM 0 HD21 ASN B 27 0.243 23.189 -12.916 1.00 0.00 H new ATOM 0 HD22 ASN B 27 0.156 22.342 -11.368 1.00 0.00 H new ATOM 1389 N PRO B 28 -3.997 22.878 -11.494 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.901 21.804 -11.915 1.00 0.00 C ATOM 1391 C PRO B 28 -4.201 20.531 -12.410 1.00 0.00 C ATOM 1392 O PRO B 28 -4.800 19.458 -12.355 1.00 0.00 O ATOM 1393 CB PRO B 28 -5.805 22.414 -12.993 1.00 0.00 C ATOM 1394 CG PRO B 28 -4.962 23.547 -13.568 1.00 0.00 C ATOM 1395 CD PRO B 28 -4.169 24.036 -12.358 1.00 0.00 C ATOM 0 HA PRO B 28 -5.466 21.452 -11.052 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -6.068 21.682 -13.757 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.739 22.784 -12.571 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -4.306 23.197 -14.365 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.583 24.338 -13.990 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -3.204 24.442 -12.662 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.701 24.834 -11.840 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.939 20.610 -12.849 1.00 0.00 N ATOM 1404 CA GLU B 29 -2.158 19.437 -13.273 1.00 0.00 C ATOM 1405 C GLU B 29 -1.994 18.435 -12.120 1.00 0.00 C ATOM 1406 O GLU B 29 -2.477 17.304 -12.172 1.00 0.00 O ATOM 1407 CB GLU B 29 -0.801 19.913 -13.826 1.00 0.00 C ATOM 1408 CG GLU B 29 0.006 18.817 -14.537 1.00 0.00 C ATOM 1409 CD GLU B 29 -0.587 18.469 -15.917 1.00 0.00 C ATOM 1410 OE1 GLU B 29 -0.203 19.112 -16.926 1.00 0.00 O ATOM 1411 OE2 GLU B 29 -1.435 17.550 -16.006 1.00 0.00 O ATOM 0 H GLU B 29 -2.428 21.490 -12.921 1.00 0.00 H new ATOM 0 HA GLU B 29 -2.690 18.909 -14.064 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -0.973 20.733 -14.523 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.206 20.312 -13.005 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.038 19.147 -14.658 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.028 17.922 -13.915 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.389 18.905 -11.027 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.240 18.183 -9.751 1.00 0.00 C ATOM 1420 C LYS B 30 -2.598 17.876 -9.122 1.00 0.00 C ATOM 1421 O LYS B 30 -2.827 16.733 -8.721 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.342 19.021 -8.815 1.00 0.00 C ATOM 1423 CG LYS B 30 0.625 18.234 -7.912 1.00 0.00 C ATOM 1424 CD LYS B 30 0.021 17.125 -7.039 1.00 0.00 C ATOM 1425 CE LYS B 30 1.166 16.556 -6.189 1.00 0.00 C ATOM 1426 NZ LYS B 30 0.735 15.427 -5.322 1.00 0.00 N ATOM 0 H LYS B 30 -0.971 19.835 -11.000 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.766 17.218 -9.927 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.243 19.707 -9.427 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.985 19.630 -8.179 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.391 17.786 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.129 18.944 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.772 17.521 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -0.425 16.346 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS B 30 1.967 16.218 -6.846 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.579 17.349 -5.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 1.547 15.083 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -0.010 15.752 -4.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 0.366 14.656 -5.914 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.525 18.845 -9.101 1.00 0.00 N ATOM 1441 CA LYS B 31 -4.872 18.668 -8.522 1.00 0.00 C ATOM 1442 C LYS B 31 -5.730 17.589 -9.200 1.00 0.00 C ATOM 1443 O LYS B 31 -6.629 17.051 -8.562 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.600 20.015 -8.385 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.748 19.949 -7.357 1.00 0.00 C ATOM 1446 CD LYS B 31 -6.925 21.288 -6.627 1.00 0.00 C ATOM 1447 CE LYS B 31 -8.056 21.266 -5.590 1.00 0.00 C ATOM 1448 NZ LYS B 31 -9.405 21.260 -6.216 1.00 0.00 N ATOM 0 H LYS B 31 -3.365 19.776 -9.485 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.710 18.272 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.888 20.783 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.999 20.312 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.676 19.683 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.544 19.162 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.991 21.550 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.127 22.070 -7.359 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.948 20.384 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.965 22.136 -4.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.132 21.245 -5.473 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.522 22.114 -6.798 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.506 20.416 -6.816 1.00 0.00 H new ATOM 1462 N SER B 32 -5.407 17.206 -10.438 1.00 0.00 N ATOM 1463 CA SER B 32 -6.058 16.107 -11.177 1.00 0.00 C ATOM 1464 C SER B 32 -5.256 14.792 -11.184 1.00 0.00 C ATOM 1465 O SER B 32 -5.732 13.757 -11.655 1.00 0.00 O ATOM 1466 CB SER B 32 -6.385 16.590 -12.597 1.00 0.00 C ATOM 1467 OG SER B 32 -7.377 15.783 -13.211 1.00 0.00 O ATOM 0 H SER B 32 -4.667 17.660 -10.973 1.00 0.00 H new ATOM 0 HA SER B 32 -6.978 15.854 -10.650 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.729 17.624 -12.559 1.00 0.00 H new ATOM 0 HB3 SER B 32 -5.479 16.577 -13.203 1.00 0.00 H new ATOM 0 HG SER B 32 -7.318 14.870 -12.861 1.00 0.00 H new ATOM 1473 N VAL B 33 -4.064 14.799 -10.582 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.209 13.614 -10.377 1.00 0.00 C ATOM 1475 C VAL B 33 -3.410 13.043 -8.974 1.00 0.00 C ATOM 1476 O VAL B 33 -3.760 11.868 -8.852 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.727 13.945 -10.664 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.745 12.880 -10.159 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.506 14.076 -12.175 1.00 0.00 C ATOM 0 H VAL B 33 -3.649 15.653 -10.210 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.506 12.843 -11.088 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.530 14.875 -10.132 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.275 13.183 -10.397 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.849 12.772 -9.079 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -0.962 11.927 -10.641 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.459 14.309 -12.371 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.766 13.137 -12.663 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.135 14.875 -12.567 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.294 13.852 -7.909 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.552 13.373 -6.546 1.00 0.00 C ATOM 1491 C LEU B 34 -5.034 13.021 -6.305 1.00 0.00 C ATOM 1492 O LEU B 34 -5.336 12.232 -5.409 1.00 0.00 O ATOM 1493 CB LEU B 34 -2.901 14.338 -5.536 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.830 15.382 -4.923 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -3.157 16.101 -3.749 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.269 16.463 -5.894 1.00 0.00 C ATOM 0 H LEU B 34 -3.025 14.834 -7.967 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.069 12.408 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.464 13.749 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.081 14.856 -6.033 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.702 14.810 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.843 16.839 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.895 15.375 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.254 16.602 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.927 17.166 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.393 16.992 -6.269 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.803 16.008 -6.728 1.00 0.00 H new ATOM 1508 N GLN B 35 -5.952 13.523 -7.145 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.362 13.127 -7.128 1.00 0.00 C ATOM 1510 C GLN B 35 -7.546 11.614 -7.355 1.00 0.00 C ATOM 1511 O GLN B 35 -8.436 11.007 -6.764 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.143 13.932 -8.182 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.662 13.719 -8.077 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.439 14.400 -9.204 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -10.253 15.569 -9.522 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.345 13.698 -9.852 1.00 0.00 N ATOM 0 H GLN B 35 -5.732 14.219 -7.858 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.757 13.348 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.919 14.992 -8.065 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -7.807 13.643 -9.178 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -9.875 12.650 -8.090 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -10.012 14.102 -7.118 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.512 12.724 -9.600 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -11.880 14.128 -10.606 1.00 0.00 H new ATOM 1525 N LYS B 36 -6.703 10.980 -8.183 1.00 0.00 N ATOM 1526 CA LYS B 36 -6.830 9.550 -8.516 1.00 0.00 C ATOM 1527 C LYS B 36 -6.516 8.652 -7.322 1.00 0.00 C ATOM 1528 O LYS B 36 -7.260 7.710 -7.052 1.00 0.00 O ATOM 1529 CB LYS B 36 -5.913 9.197 -9.702 1.00 0.00 C ATOM 1530 CG LYS B 36 -6.231 9.974 -10.991 1.00 0.00 C ATOM 1531 CD LYS B 36 -5.159 9.771 -12.077 1.00 0.00 C ATOM 1532 CE LYS B 36 -4.974 8.319 -12.545 1.00 0.00 C ATOM 1533 NZ LYS B 36 -6.154 7.811 -13.296 1.00 0.00 N ATOM 0 H LYS B 36 -5.916 11.440 -8.640 1.00 0.00 H new ATOM 0 HA LYS B 36 -7.868 9.371 -8.795 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -4.879 9.391 -9.419 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -5.993 8.129 -9.905 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -7.199 9.654 -11.376 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -6.315 11.036 -10.761 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -5.417 10.385 -12.940 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -4.205 10.139 -11.698 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -4.089 8.254 -13.177 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -4.795 7.681 -11.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -5.982 6.829 -13.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -6.996 7.847 -12.686 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -6.311 8.402 -14.137 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.467 8.988 -6.565 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.212 8.375 -5.258 1.00 0.00 C ATOM 1549 C ILE B 37 -6.379 8.702 -4.317 1.00 0.00 C ATOM 1550 O ILE B 37 -6.928 7.785 -3.723 1.00 0.00 O ATOM 1551 CB ILE B 37 -3.876 8.868 -4.649 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -2.580 8.510 -5.411 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.777 8.307 -3.217 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -2.052 9.702 -6.222 1.00 0.00 C ATOM 0 H ILE B 37 -4.776 9.687 -6.838 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.130 7.296 -5.389 1.00 0.00 H new ATOM 0 HB ILE B 37 -3.924 9.956 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -1.818 8.186 -4.702 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -2.771 7.671 -6.080 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.844 8.638 -2.760 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.618 8.668 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.798 7.218 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -1.140 9.412 -6.744 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -2.804 10.009 -6.949 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.837 10.533 -5.550 1.00 0.00 H new ATOM 1566 N LEU B 38 -6.812 9.962 -4.199 1.00 0.00 N ATOM 1567 CA LEU B 38 -7.936 10.325 -3.324 1.00 0.00 C ATOM 1568 C LEU B 38 -9.204 9.494 -3.589 1.00 0.00 C ATOM 1569 O LEU B 38 -9.837 9.055 -2.628 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.232 11.832 -3.433 1.00 0.00 C ATOM 1571 CG LEU B 38 -7.435 12.711 -2.453 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -7.619 14.187 -2.809 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -7.923 12.494 -1.017 1.00 0.00 C ATOM 0 H LEU B 38 -6.401 10.750 -4.699 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.630 10.092 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.018 12.159 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.296 11.994 -3.263 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.383 12.434 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -7.052 14.803 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.261 14.364 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.676 14.447 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.348 13.124 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.979 12.756 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.790 11.448 -0.742 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.561 9.216 -4.848 1.00 0.00 N ATOM 1586 CA GLU B 39 -10.734 8.388 -5.155 1.00 0.00 C ATOM 1587 C GLU B 39 -10.532 6.902 -4.836 1.00 0.00 C ATOM 1588 O GLU B 39 -11.447 6.248 -4.331 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.148 8.565 -6.625 1.00 0.00 C ATOM 1590 CG GLU B 39 -11.827 9.917 -6.889 1.00 0.00 C ATOM 1591 CD GLU B 39 -12.251 10.068 -8.365 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -13.067 9.252 -8.858 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -11.796 11.026 -9.037 1.00 0.00 O ATOM 0 H GLU B 39 -9.057 9.551 -5.669 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.534 8.739 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.267 8.475 -7.260 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -11.827 7.760 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.703 10.015 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.145 10.724 -6.623 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.332 6.372 -5.061 1.00 0.00 N ATOM 1601 CA ASP B 40 -8.935 5.033 -4.655 1.00 0.00 C ATOM 1602 C ASP B 40 -8.924 4.869 -3.126 1.00 0.00 C ATOM 1603 O ASP B 40 -9.384 3.856 -2.603 1.00 0.00 O ATOM 1604 CB ASP B 40 -7.528 4.821 -5.222 1.00 0.00 C ATOM 1605 CG ASP B 40 -7.463 4.313 -6.671 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -8.505 4.129 -7.346 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.317 4.090 -7.122 1.00 0.00 O ATOM 0 H ASP B 40 -8.591 6.879 -5.545 1.00 0.00 H new ATOM 0 HA ASP B 40 -9.646 4.297 -5.031 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.986 5.765 -5.163 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.002 4.111 -4.584 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.437 5.873 -2.390 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.328 5.799 -0.928 1.00 0.00 C ATOM 1614 C GLU B 41 -9.699 5.959 -0.274 1.00 0.00 C ATOM 1615 O GLU B 41 -10.006 5.250 0.681 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.361 6.851 -0.356 1.00 0.00 C ATOM 1617 CG GLU B 41 -5.886 6.727 -0.774 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.165 5.446 -0.363 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.761 4.505 0.217 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -3.960 5.305 -0.695 1.00 0.00 O ATOM 0 H GLU B 41 -8.109 6.754 -2.786 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.924 4.813 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -7.717 7.838 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.412 6.806 0.732 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -5.831 6.816 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.341 7.574 -0.356 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.559 6.820 -0.825 1.00 0.00 N ATOM 1628 CA GLU B 42 -11.968 6.900 -0.439 1.00 0.00 C ATOM 1629 C GLU B 42 -12.674 5.547 -0.616 1.00 0.00 C ATOM 1630 O GLU B 42 -13.451 5.148 0.251 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.657 8.021 -1.233 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.114 8.240 -0.805 1.00 0.00 C ATOM 1633 CD GLU B 42 -14.719 9.467 -1.514 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.198 9.335 -2.667 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -14.731 10.574 -0.919 1.00 0.00 O ATOM 0 H GLU B 42 -10.295 7.483 -1.554 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.033 7.144 0.621 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.100 8.949 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.627 7.779 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -14.703 7.353 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.163 8.379 0.275 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.354 4.799 -1.683 1.00 0.00 N ATOM 1643 CA LYS B 43 -12.887 3.449 -1.914 1.00 0.00 C ATOM 1644 C LYS B 43 -12.425 2.450 -0.847 1.00 0.00 C ATOM 1645 O LYS B 43 -13.265 1.739 -0.299 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.553 2.966 -3.342 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.720 2.217 -4.003 1.00 0.00 C ATOM 1648 CD LYS B 43 -14.838 3.166 -4.471 1.00 0.00 C ATOM 1649 CE LYS B 43 -16.051 2.420 -5.051 1.00 0.00 C ATOM 1650 NZ LYS B 43 -15.755 1.766 -6.355 1.00 0.00 N ATOM 0 H LYS B 43 -11.715 5.116 -2.413 1.00 0.00 H new ATOM 0 HA LYS B 43 -13.972 3.506 -1.826 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.282 3.824 -3.957 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.681 2.312 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.347 1.651 -4.856 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.132 1.496 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.163 3.779 -3.631 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -14.440 3.844 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -16.383 1.665 -4.338 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -16.876 3.121 -5.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -16.606 1.278 -6.700 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -15.464 2.486 -7.047 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -14.987 1.076 -6.231 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.138 2.432 -0.468 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.621 1.608 0.608 1.00 0.00 C ATOM 1666 C HIS B 44 -11.294 1.932 1.933 1.00 0.00 C ATOM 1667 O HIS B 44 -11.758 1.030 2.621 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.124 1.879 0.744 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.259 1.644 -0.459 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -6.908 2.020 -0.569 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.664 1.039 -1.607 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.566 1.656 -1.826 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.604 1.091 -2.464 1.00 0.00 N ATOM 0 H HIS B 44 -10.423 3.005 -0.916 1.00 0.00 H new ATOM 0 HA HIS B 44 -10.819 0.563 0.370 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -8.998 2.918 1.050 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.744 1.259 1.556 1.00 0.00 H new ATOM 0 HD1 HIS B 44 -6.321 2.465 0.137 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.633 0.604 -1.802 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.587 1.801 -2.259 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.374 3.220 2.270 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.052 3.733 3.460 1.00 0.00 C ATOM 1683 C ILE B 45 -13.541 3.333 3.499 1.00 0.00 C ATOM 1684 O ILE B 45 -14.039 2.950 4.559 1.00 0.00 O ATOM 1685 CB ILE B 45 -11.786 5.258 3.529 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -10.318 5.572 3.899 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -12.754 5.979 4.470 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.892 5.180 5.313 1.00 0.00 C ATOM 0 H ILE B 45 -10.955 3.958 1.704 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.650 3.278 4.365 1.00 0.00 H new ATOM 0 HB ILE B 45 -11.966 5.642 2.525 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -9.667 5.062 3.189 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -10.152 6.642 3.773 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -12.524 7.044 4.482 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -13.777 5.832 4.122 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -12.652 5.575 5.477 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.846 5.445 5.464 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -10.509 5.709 6.039 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -10.017 4.105 5.446 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.243 3.318 2.362 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.627 2.826 2.272 1.00 0.00 C ATOM 1702 C GLU B 46 -15.754 1.334 2.636 1.00 0.00 C ATOM 1703 O GLU B 46 -16.667 0.933 3.367 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.181 3.078 0.854 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.691 3.337 0.829 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.023 4.787 1.239 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -18.160 5.066 2.454 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.169 5.656 0.344 1.00 0.00 O ATOM 0 H GLU B 46 -13.868 3.648 1.472 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.215 3.380 3.004 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.666 3.933 0.417 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -15.957 2.216 0.226 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -18.078 3.143 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -18.191 2.643 1.504 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.819 0.504 2.166 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.780 -0.928 2.451 1.00 0.00 C ATOM 1717 C TRP B 47 -14.335 -1.213 3.889 1.00 0.00 C ATOM 1718 O TRP B 47 -14.922 -2.055 4.562 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.812 -1.607 1.465 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.974 -1.361 -0.012 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -15.104 -0.972 -0.646 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -12.958 -1.483 -1.062 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.852 -0.815 -1.996 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.550 -1.132 -2.312 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.596 -1.858 -1.095 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.832 -1.138 -3.517 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.870 -1.901 -2.303 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.480 -1.518 -3.509 1.00 0.00 C ATOM 0 H TRP B 47 -14.055 0.817 1.566 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.788 -1.327 2.335 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.801 -1.306 1.739 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.879 -2.683 1.628 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -16.059 -0.809 -0.169 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.546 -0.502 -2.675 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -11.099 -2.118 -0.172 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.314 -0.854 -4.441 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.841 -2.230 -2.301 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -10.911 -1.516 -4.427 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.344 -0.474 4.384 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.870 -0.502 5.767 1.00 0.00 C ATOM 1741 C LEU B 48 -14.004 -0.234 6.762 1.00 0.00 C ATOM 1742 O LEU B 48 -14.135 -0.949 7.751 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.730 0.526 5.891 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.377 -0.027 5.418 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.376 1.110 5.225 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.775 -1.011 6.428 1.00 0.00 C ATOM 0 H LEU B 48 -12.827 0.190 3.807 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.496 -1.495 6.016 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.980 1.411 5.307 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.644 0.844 6.930 1.00 0.00 H new ATOM 0 HG LEU B 48 -10.564 -0.545 4.477 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.422 0.702 4.890 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -9.756 1.806 4.477 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -9.234 1.634 6.170 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.819 -1.377 6.054 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.622 -0.505 7.381 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -10.456 -1.851 6.568 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.879 0.728 6.469 1.00 0.00 N ATOM 1759 CA GLU B 49 -16.094 0.977 7.258 1.00 0.00 C ATOM 1760 C GLU B 49 -17.095 -0.183 7.206 1.00 0.00 C ATOM 1761 O GLU B 49 -17.587 -0.626 8.245 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.781 2.260 6.764 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.692 2.861 7.842 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.410 4.127 7.336 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.523 4.010 6.767 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -17.886 5.251 7.532 1.00 0.00 O ATOM 0 H GLU B 49 -14.768 1.360 5.676 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.776 1.083 8.295 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -16.025 2.991 6.476 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.367 2.040 5.872 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.431 2.121 8.149 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.100 3.105 8.724 1.00 0.00 H new ATOM 1773 N THR B 50 -17.360 -0.711 6.009 1.00 0.00 N ATOM 1774 CA THR B 50 -18.197 -1.894 5.780 1.00 0.00 C ATOM 1775 C THR B 50 -17.693 -3.142 6.527 1.00 0.00 C ATOM 1776 O THR B 50 -18.486 -3.999 6.925 1.00 0.00 O ATOM 1777 CB THR B 50 -18.282 -2.138 4.263 1.00 0.00 C ATOM 1778 OG1 THR B 50 -18.836 -1.014 3.601 1.00 0.00 O ATOM 1779 CG2 THR B 50 -19.172 -3.313 3.902 1.00 0.00 C ATOM 0 H THR B 50 -16.987 -0.316 5.145 1.00 0.00 H new ATOM 0 HA THR B 50 -19.190 -1.702 6.186 1.00 0.00 H new ATOM 0 HB THR B 50 -17.256 -2.335 3.951 1.00 0.00 H new ATOM 0 HG1 THR B 50 -18.148 -0.324 3.496 1.00 0.00 H new ATOM 0 HG21 THR B 50 -19.192 -3.435 2.819 1.00 0.00 H new ATOM 0 HG22 THR B 50 -18.781 -4.220 4.362 1.00 0.00 H new ATOM 0 HG23 THR B 50 -20.183 -3.129 4.265 1.00 0.00 H new ATOM 1787 N ILE B 51 -16.380 -3.228 6.757 1.00 0.00 N ATOM 1788 CA ILE B 51 -15.682 -4.362 7.387 1.00 0.00 C ATOM 1789 C ILE B 51 -15.504 -4.210 8.907 1.00 0.00 C ATOM 1790 O ILE B 51 -15.453 -5.206 9.634 1.00 0.00 O ATOM 1791 CB ILE B 51 -14.352 -4.622 6.630 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -14.660 -5.194 5.222 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -13.401 -5.577 7.376 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -13.467 -5.167 4.255 1.00 0.00 C ATOM 0 H ILE B 51 -15.741 -2.476 6.499 1.00 0.00 H new ATOM 0 HA ILE B 51 -16.312 -5.247 7.295 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.840 -3.663 6.555 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -15.004 -6.223 5.328 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -15.481 -4.627 4.784 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -12.491 -5.715 6.791 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -13.147 -5.152 8.347 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -13.891 -6.540 7.518 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -13.768 -5.585 3.294 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -13.135 -4.138 4.116 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -12.650 -5.759 4.668 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.459 -2.978 9.397 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.325 -2.666 10.825 1.00 0.00 C ATOM 1808 C ASN B 52 -16.661 -2.845 11.592 1.00 0.00 C ATOM 1809 O ASN B 52 -17.746 -2.758 11.007 1.00 0.00 O ATOM 1810 CB ASN B 52 -14.741 -1.246 10.966 1.00 0.00 C ATOM 1811 CG ASN B 52 -14.265 -0.912 12.371 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -13.947 -1.775 13.178 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -14.195 0.354 12.715 1.00 0.00 N ATOM 0 H ASN B 52 -15.515 -2.148 8.807 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.639 -3.375 11.288 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -13.906 -1.137 10.274 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -15.498 -0.521 10.668 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -13.877 0.612 13.649 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -14.458 1.079 12.048 1.00 0.00 H new