USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 25 TYR OH : rot 89:sc= 0.26 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 22:sc= 0.144 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 67:sc= 1.19 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.056) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.842 X(o=-0.84,f=-1.1) USER MOD Single : A 32 TYR OH : rot 0:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 34 HIS : no HD1:sc= -0.374 X(o=-0.37,f=0.038) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -3.43 K(o=-3.4,f=-6.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 89:sc= 0.444 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 160:sc= -0.216 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00783) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.821 -7.052 -5.959 1.00 11.20 N ATOM 60 CA THR A 5 8.434 -6.601 -5.929 1.00 23.50 C ATOM 61 C THR A 5 7.965 -6.384 -4.494 1.00 45.40 C ATOM 62 O THR A 5 7.149 -5.503 -4.224 1.00 32.40 O ATOM 63 CB THR A 5 7.530 -7.618 -6.626 1.00 20.50 C ATOM 64 OG1 THR A 5 8.018 -7.919 -7.921 1.00 22.30 O ATOM 65 CG2 THR A 5 6.100 -7.147 -6.773 1.00 50.00 C ATOM 0 HA THR A 5 8.375 -5.651 -6.459 1.00 23.50 H new ATOM 0 HB THR A 5 7.541 -8.499 -5.985 1.00 20.50 H new ATOM 0 HG1 THR A 5 8.974 -7.708 -7.967 1.00 22.30 H new ATOM 0 HG21 THR A 5 5.513 -7.916 -7.275 1.00 50.00 H new ATOM 0 HG22 THR A 5 5.677 -6.954 -5.787 1.00 50.00 H new ATOM 0 HG23 THR A 5 6.078 -6.231 -7.363 1.00 50.00 H new ATOM 73 N LEU A 6 8.485 -7.194 -3.578 1.00 50.10 N ATOM 74 CA LEU A 6 8.119 -7.092 -2.170 1.00 12.20 C ATOM 75 C LEU A 6 8.765 -5.869 -1.524 1.00 63.10 C ATOM 76 O LEU A 6 8.111 -5.121 -0.798 1.00 40.30 O ATOM 77 CB LEU A 6 8.535 -8.359 -1.419 1.00 5.44 C ATOM 78 CG LEU A 6 7.502 -9.488 -1.434 1.00 1.05 C ATOM 79 CD1 LEU A 6 6.254 -9.077 -0.669 1.00 53.10 C ATOM 80 CD2 LEU A 6 7.152 -9.870 -2.863 1.00 52.10 C ATOM 0 H LEU A 6 9.161 -7.929 -3.785 1.00 50.10 H new ATOM 0 HA LEU A 6 7.036 -6.981 -2.111 1.00 12.20 H new ATOM 0 HB2 LEU A 6 9.464 -8.731 -1.851 1.00 5.44 H new ATOM 0 HB3 LEU A 6 8.748 -8.096 -0.383 1.00 5.44 H new ATOM 0 HG LEU A 6 7.935 -10.359 -0.942 1.00 1.05 H new ATOM 0 HD11 LEU A 6 5.530 -9.891 -0.690 1.00 53.10 H new ATOM 0 HD12 LEU A 6 6.518 -8.852 0.364 1.00 53.10 H new ATOM 0 HD13 LEU A 6 5.818 -8.192 -1.133 1.00 53.10 H new ATOM 0 HD21 LEU A 6 6.416 -10.674 -2.855 1.00 52.10 H new ATOM 0 HD22 LEU A 6 6.738 -9.004 -3.380 1.00 52.10 H new ATOM 0 HD23 LEU A 6 8.051 -10.206 -3.380 1.00 52.10 H new ATOM 92 N GLN A 7 10.052 -5.674 -1.793 1.00 40.40 N ATOM 93 CA GLN A 7 10.785 -4.543 -1.238 1.00 70.20 C ATOM 94 C GLN A 7 10.200 -3.221 -1.722 1.00 71.30 C ATOM 95 O GLN A 7 10.247 -2.214 -1.015 1.00 50.40 O ATOM 96 CB GLN A 7 12.264 -4.630 -1.621 1.00 14.20 C ATOM 97 CG GLN A 7 13.152 -3.674 -0.841 1.00 4.22 C ATOM 98 CD GLN A 7 13.910 -4.363 0.277 1.00 41.10 C ATOM 99 OE1 GLN A 7 14.964 -4.956 0.055 1.00 22.30 O ATOM 100 NE2 GLN A 7 13.373 -4.288 1.490 1.00 53.30 N ATOM 0 H GLN A 7 10.608 -6.285 -2.392 1.00 40.40 H new ATOM 0 HA GLN A 7 10.694 -4.582 -0.153 1.00 70.20 H new ATOM 0 HB2 GLN A 7 12.613 -5.650 -1.460 1.00 14.20 H new ATOM 0 HB3 GLN A 7 12.368 -4.422 -2.686 1.00 14.20 H new ATOM 0 HG2 GLN A 7 13.863 -3.206 -1.522 1.00 4.22 H new ATOM 0 HG3 GLN A 7 12.540 -2.876 -0.422 1.00 4.22 H new ATOM 0 HE21 GLN A 7 12.496 -3.785 1.629 1.00 53.30 H new ATOM 0 HE22 GLN A 7 13.837 -4.733 2.282 1.00 53.30 H new ATOM 109 N LYS A 8 9.649 -3.229 -2.932 1.00 62.40 N ATOM 110 CA LYS A 8 9.055 -2.029 -3.509 1.00 74.20 C ATOM 111 C LYS A 8 7.772 -1.649 -2.777 1.00 33.30 C ATOM 112 O LYS A 8 7.523 -0.475 -2.507 1.00 2.10 O ATOM 113 CB LYS A 8 8.763 -2.244 -4.995 1.00 24.20 C ATOM 114 CG LYS A 8 9.946 -1.934 -5.899 1.00 40.30 C ATOM 115 CD LYS A 8 9.491 -1.485 -7.278 1.00 24.20 C ATOM 116 CE LYS A 8 10.499 -1.864 -8.350 1.00 52.30 C ATOM 117 NZ LYS A 8 10.840 -0.709 -9.226 1.00 50.30 N ATOM 0 H LYS A 8 9.602 -4.053 -3.531 1.00 62.40 H new ATOM 0 HA LYS A 8 9.769 -1.213 -3.400 1.00 74.20 H new ATOM 0 HB2 LYS A 8 8.459 -3.279 -5.151 1.00 24.20 H new ATOM 0 HB3 LYS A 8 7.920 -1.617 -5.286 1.00 24.20 H new ATOM 0 HG2 LYS A 8 10.558 -1.154 -5.445 1.00 40.30 H new ATOM 0 HG3 LYS A 8 10.575 -2.819 -5.993 1.00 40.30 H new ATOM 0 HD2 LYS A 8 8.526 -1.937 -7.509 1.00 24.20 H new ATOM 0 HD3 LYS A 8 9.346 -0.405 -7.280 1.00 24.20 H new ATOM 0 HE2 LYS A 8 11.406 -2.242 -7.878 1.00 52.30 H new ATOM 0 HE3 LYS A 8 10.095 -2.674 -8.958 1.00 52.30 H new ATOM 0 HZ1 LYS A 8 11.530 -1.009 -9.944 1.00 50.30 H new ATOM 0 HZ2 LYS A 8 9.979 -0.364 -9.697 1.00 50.30 H new ATOM 0 HZ3 LYS A 8 11.249 0.054 -8.650 1.00 50.30 H new ATOM 131 N ALA A 9 6.959 -2.652 -2.458 1.00 73.40 N ATOM 132 CA ALA A 9 5.701 -2.423 -1.757 1.00 32.30 C ATOM 133 C ALA A 9 5.943 -1.864 -0.359 1.00 43.00 C ATOM 134 O ALA A 9 5.155 -1.063 0.145 1.00 73.10 O ATOM 135 CB ALA A 9 4.898 -3.713 -1.678 1.00 44.40 C ATOM 0 H ALA A 9 7.149 -3.631 -2.674 1.00 73.40 H new ATOM 0 HA ALA A 9 5.130 -1.685 -2.321 1.00 32.30 H new ATOM 0 HB1 ALA A 9 3.962 -3.527 -1.152 1.00 44.40 H new ATOM 0 HB2 ALA A 9 4.684 -4.071 -2.685 1.00 44.40 H new ATOM 0 HB3 ALA A 9 5.473 -4.467 -1.140 1.00 44.40 H new ATOM 141 N ILE A 10 7.037 -2.292 0.263 1.00 44.10 N ATOM 142 CA ILE A 10 7.382 -1.834 1.604 1.00 64.30 C ATOM 143 C ILE A 10 7.816 -0.371 1.593 1.00 74.10 C ATOM 144 O ILE A 10 7.637 0.347 2.577 1.00 75.30 O ATOM 145 CB ILE A 10 8.509 -2.689 2.217 1.00 21.20 C ATOM 146 CG1 ILE A 10 8.164 -4.176 2.119 1.00 3.33 C ATOM 147 CG2 ILE A 10 8.751 -2.290 3.666 1.00 13.40 C ATOM 148 CD1 ILE A 10 9.379 -5.075 2.045 1.00 31.30 C ATOM 0 H ILE A 10 7.699 -2.955 -0.140 1.00 44.10 H new ATOM 0 HA ILE A 10 6.484 -1.938 2.214 1.00 64.30 H new ATOM 0 HB ILE A 10 9.425 -2.510 1.654 1.00 21.20 H new ATOM 0 HG12 ILE A 10 7.565 -4.459 2.984 1.00 3.33 H new ATOM 0 HG13 ILE A 10 7.546 -4.340 1.236 1.00 3.33 H new ATOM 0 HG21 ILE A 10 9.550 -2.903 4.084 1.00 13.40 H new ATOM 0 HG22 ILE A 10 9.039 -1.240 3.711 1.00 13.40 H new ATOM 0 HG23 ILE A 10 7.838 -2.441 4.242 1.00 13.40 H new ATOM 0 HD11 ILE A 10 9.059 -6.115 1.977 1.00 31.30 H new ATOM 0 HD12 ILE A 10 9.968 -4.819 1.164 1.00 31.30 H new ATOM 0 HD13 ILE A 10 9.987 -4.940 2.940 1.00 31.30 H new ATOM 160 N ASP A 11 8.391 0.063 0.476 1.00 13.10 N ATOM 161 CA ASP A 11 8.853 1.441 0.341 1.00 62.10 C ATOM 162 C ASP A 11 7.688 2.385 0.057 1.00 61.40 C ATOM 163 O ASP A 11 7.718 3.555 0.437 1.00 21.40 O ATOM 164 CB ASP A 11 9.893 1.544 -0.777 1.00 51.20 C ATOM 165 CG ASP A 11 11.314 1.533 -0.246 1.00 4.32 C ATOM 166 OD1 ASP A 11 11.832 2.621 0.083 1.00 50.30 O ATOM 167 OD2 ASP A 11 11.908 0.438 -0.162 1.00 3.32 O ATOM 0 H ASP A 11 8.548 -0.518 -0.348 1.00 13.10 H new ATOM 0 HA ASP A 11 9.311 1.737 1.285 1.00 62.10 H new ATOM 0 HB2 ASP A 11 9.761 0.714 -1.471 1.00 51.20 H new ATOM 0 HB3 ASP A 11 9.726 2.461 -1.342 1.00 51.20 H new ATOM 172 N LEU A 12 6.662 1.869 -0.613 1.00 40.40 N ATOM 173 CA LEU A 12 5.490 2.669 -0.949 1.00 4.31 C ATOM 174 C LEU A 12 4.632 2.924 0.287 1.00 21.00 C ATOM 175 O LEU A 12 4.178 4.045 0.517 1.00 60.20 O ATOM 176 CB LEU A 12 4.659 1.967 -2.026 1.00 30.40 C ATOM 177 CG LEU A 12 5.019 2.341 -3.465 1.00 71.00 C ATOM 178 CD1 LEU A 12 4.723 3.810 -3.723 1.00 73.40 C ATOM 179 CD2 LEU A 12 6.481 2.032 -3.745 1.00 43.10 C ATOM 0 H LEU A 12 6.619 0.902 -0.933 1.00 40.40 H new ATOM 0 HA LEU A 12 5.834 3.629 -1.334 1.00 4.31 H new ATOM 0 HB2 LEU A 12 4.773 0.890 -1.907 1.00 30.40 H new ATOM 0 HB3 LEU A 12 3.607 2.197 -1.859 1.00 30.40 H new ATOM 0 HG LEU A 12 4.407 1.744 -4.141 1.00 71.00 H new ATOM 0 HD11 LEU A 12 4.985 4.059 -4.751 1.00 73.40 H new ATOM 0 HD12 LEU A 12 3.662 4.001 -3.563 1.00 73.40 H new ATOM 0 HD13 LEU A 12 5.310 4.425 -3.040 1.00 73.40 H new ATOM 0 HD21 LEU A 12 6.720 2.304 -4.773 1.00 43.10 H new ATOM 0 HD22 LEU A 12 7.111 2.603 -3.063 1.00 43.10 H new ATOM 0 HD23 LEU A 12 6.662 0.967 -3.600 1.00 43.10 H new ATOM 191 N VAL A 13 4.413 1.879 1.078 1.00 43.20 N ATOM 192 CA VAL A 13 3.608 1.992 2.289 1.00 53.30 C ATOM 193 C VAL A 13 4.274 2.904 3.313 1.00 31.50 C ATOM 194 O VAL A 13 3.599 3.545 4.118 1.00 21.30 O ATOM 195 CB VAL A 13 3.365 0.612 2.930 1.00 5.42 C ATOM 196 CG1 VAL A 13 2.435 -0.224 2.064 1.00 44.10 C ATOM 197 CG2 VAL A 13 4.682 -0.109 3.163 1.00 10.40 C ATOM 0 H VAL A 13 4.782 0.944 0.902 1.00 43.20 H new ATOM 0 HA VAL A 13 2.652 2.423 1.993 1.00 53.30 H new ATOM 0 HB VAL A 13 2.885 0.761 3.897 1.00 5.42 H new ATOM 0 HG11 VAL A 13 2.276 -1.195 2.533 1.00 44.10 H new ATOM 0 HG12 VAL A 13 1.479 0.289 1.957 1.00 44.10 H new ATOM 0 HG13 VAL A 13 2.883 -0.366 1.081 1.00 44.10 H new ATOM 0 HG21 VAL A 13 4.489 -1.081 3.616 1.00 10.40 H new ATOM 0 HG22 VAL A 13 5.194 -0.248 2.211 1.00 10.40 H new ATOM 0 HG23 VAL A 13 5.309 0.484 3.829 1.00 10.40 H new ATOM 207 N THR A 14 5.602 2.958 3.278 1.00 22.50 N ATOM 208 CA THR A 14 6.357 3.792 4.206 1.00 22.20 C ATOM 209 C THR A 14 6.235 5.267 3.837 1.00 21.40 C ATOM 210 O THR A 14 6.167 6.132 4.710 1.00 61.50 O ATOM 211 CB THR A 14 7.829 3.376 4.216 1.00 30.50 C ATOM 212 OG1 THR A 14 7.955 1.982 4.427 1.00 74.20 O ATOM 213 CG2 THR A 14 8.642 4.077 5.282 1.00 30.30 C ATOM 0 H THR A 14 6.177 2.435 2.618 1.00 22.50 H new ATOM 0 HA THR A 14 5.940 3.651 5.203 1.00 22.20 H new ATOM 0 HB THR A 14 8.216 3.664 3.239 1.00 30.50 H new ATOM 0 HG1 THR A 14 7.596 1.500 3.653 1.00 74.20 H new ATOM 0 HG21 THR A 14 9.676 3.736 5.234 1.00 30.30 H new ATOM 0 HG22 THR A 14 8.607 5.154 5.117 1.00 30.30 H new ATOM 0 HG23 THR A 14 8.230 3.847 6.264 1.00 30.30 H new ATOM 221 N LYS A 15 6.210 5.546 2.538 1.00 40.30 N ATOM 222 CA LYS A 15 6.099 6.918 2.052 1.00 54.20 C ATOM 223 C LYS A 15 4.688 7.460 2.265 1.00 14.30 C ATOM 224 O LYS A 15 4.493 8.667 2.415 1.00 60.50 O ATOM 225 CB LYS A 15 6.468 6.987 0.569 1.00 63.50 C ATOM 226 CG LYS A 15 7.314 8.196 0.208 1.00 64.30 C ATOM 227 CD LYS A 15 8.110 7.959 -1.065 1.00 55.50 C ATOM 228 CE LYS A 15 8.649 9.261 -1.638 1.00 14.40 C ATOM 229 NZ LYS A 15 8.494 9.324 -3.117 1.00 44.10 N ATOM 0 H LYS A 15 6.265 4.841 1.803 1.00 40.30 H new ATOM 0 HA LYS A 15 6.794 7.536 2.621 1.00 54.20 H new ATOM 0 HB2 LYS A 15 7.009 6.081 0.295 1.00 63.50 H new ATOM 0 HB3 LYS A 15 5.554 7.004 -0.024 1.00 63.50 H new ATOM 0 HG2 LYS A 15 6.670 9.066 0.079 1.00 64.30 H new ATOM 0 HG3 LYS A 15 7.996 8.422 1.028 1.00 64.30 H new ATOM 0 HD2 LYS A 15 8.938 7.282 -0.856 1.00 55.50 H new ATOM 0 HD3 LYS A 15 7.477 7.469 -1.805 1.00 55.50 H new ATOM 0 HE2 LYS A 15 8.126 10.102 -1.182 1.00 14.40 H new ATOM 0 HE3 LYS A 15 9.703 9.363 -1.379 1.00 14.40 H new ATOM 0 HZ1 LYS A 15 8.873 10.227 -3.468 1.00 44.10 H new ATOM 0 HZ2 LYS A 15 9.014 8.537 -3.554 1.00 44.10 H new ATOM 0 HZ3 LYS A 15 7.486 9.253 -3.364 1.00 44.10 H new ATOM 243 N ALA A 16 3.706 6.563 2.272 1.00 71.20 N ATOM 244 CA ALA A 16 2.315 6.956 2.464 1.00 0.11 C ATOM 245 C ALA A 16 2.028 7.284 3.925 1.00 10.50 C ATOM 246 O ALA A 16 1.422 8.310 4.234 1.00 15.40 O ATOM 247 CB ALA A 16 1.386 5.854 1.977 1.00 51.20 C ATOM 0 H ALA A 16 3.848 5.561 2.147 1.00 71.20 H new ATOM 0 HA ALA A 16 2.136 7.857 1.878 1.00 0.11 H new ATOM 0 HB1 ALA A 16 0.350 6.159 2.126 1.00 51.20 H new ATOM 0 HB2 ALA A 16 1.562 5.672 0.917 1.00 51.20 H new ATOM 0 HB3 ALA A 16 1.579 4.940 2.539 1.00 51.20 H new ATOM 253 N THR A 17 2.464 6.405 4.821 1.00 40.20 N ATOM 254 CA THR A 17 2.250 6.600 6.252 1.00 42.20 C ATOM 255 C THR A 17 2.878 7.907 6.729 1.00 60.40 C ATOM 256 O THR A 17 2.238 8.697 7.422 1.00 74.40 O ATOM 257 CB THR A 17 2.829 5.424 7.041 1.00 74.00 C ATOM 258 OG1 THR A 17 2.682 5.634 8.434 1.00 2.23 O ATOM 259 CG2 THR A 17 4.298 5.183 6.767 1.00 73.40 C ATOM 0 H THR A 17 2.968 5.551 4.583 1.00 40.20 H new ATOM 0 HA THR A 17 1.175 6.653 6.426 1.00 42.20 H new ATOM 0 HB THR A 17 2.266 4.551 6.711 1.00 74.00 H new ATOM 0 HG1 THR A 17 3.057 4.871 8.921 1.00 2.23 H new ATOM 0 HG21 THR A 17 4.644 4.335 7.359 1.00 73.40 H new ATOM 0 HG22 THR A 17 4.440 4.968 5.708 1.00 73.40 H new ATOM 0 HG23 THR A 17 4.869 6.071 7.037 1.00 73.40 H new ATOM 267 N GLU A 18 4.133 8.129 6.353 1.00 23.40 N ATOM 268 CA GLU A 18 4.846 9.340 6.745 1.00 54.50 C ATOM 269 C GLU A 18 4.188 10.579 6.144 1.00 22.20 C ATOM 270 O GLU A 18 4.241 11.664 6.724 1.00 12.50 O ATOM 271 CB GLU A 18 6.310 9.260 6.306 1.00 20.30 C ATOM 272 CG GLU A 18 6.494 9.230 4.797 1.00 64.30 C ATOM 273 CD GLU A 18 7.186 10.472 4.268 1.00 52.10 C ATOM 274 OE1 GLU A 18 8.350 10.710 4.650 1.00 3.32 O ATOM 275 OE2 GLU A 18 6.562 11.206 3.472 1.00 43.20 O ATOM 0 H GLU A 18 4.678 7.487 5.777 1.00 23.40 H new ATOM 0 HA GLU A 18 4.804 9.421 7.831 1.00 54.50 H new ATOM 0 HB2 GLU A 18 6.849 10.116 6.712 1.00 20.30 H new ATOM 0 HB3 GLU A 18 6.761 8.366 6.736 1.00 20.30 H new ATOM 0 HG2 GLU A 18 7.076 8.350 4.523 1.00 64.30 H new ATOM 0 HG3 GLU A 18 5.520 9.130 4.318 1.00 64.30 H new ATOM 282 N GLU A 19 3.571 10.412 4.980 1.00 54.40 N ATOM 283 CA GLU A 19 2.905 11.519 4.302 1.00 4.55 C ATOM 284 C GLU A 19 1.657 11.956 5.063 1.00 22.50 C ATOM 285 O GLU A 19 1.416 13.149 5.244 1.00 62.30 O ATOM 286 CB GLU A 19 2.531 11.117 2.874 1.00 41.10 C ATOM 287 CG GLU A 19 3.614 11.423 1.853 1.00 33.20 C ATOM 288 CD GLU A 19 3.837 12.912 1.670 1.00 63.30 C ATOM 289 OE1 GLU A 19 4.469 13.530 2.553 1.00 3.33 O ATOM 290 OE2 GLU A 19 3.382 13.460 0.645 1.00 3.24 O ATOM 0 H GLU A 19 3.518 9.521 4.486 1.00 54.40 H new ATOM 0 HA GLU A 19 3.598 12.360 4.268 1.00 4.55 H new ATOM 0 HB2 GLU A 19 2.313 10.049 2.851 1.00 41.10 H new ATOM 0 HB3 GLU A 19 1.616 11.635 2.587 1.00 41.10 H new ATOM 0 HG2 GLU A 19 4.547 10.955 2.167 1.00 33.20 H new ATOM 0 HG3 GLU A 19 3.342 10.979 0.895 1.00 33.20 H new ATOM 297 N ASP A 20 0.866 10.983 5.505 1.00 32.40 N ATOM 298 CA ASP A 20 -0.359 11.268 6.246 1.00 54.00 C ATOM 299 C ASP A 20 -0.076 12.167 7.447 1.00 43.30 C ATOM 300 O ASP A 20 -0.906 12.994 7.825 1.00 23.30 O ATOM 301 CB ASP A 20 -1.012 9.966 6.713 1.00 21.40 C ATOM 302 CG ASP A 20 -2.446 10.167 7.162 1.00 2.23 C ATOM 303 OD1 ASP A 20 -3.284 10.551 6.319 1.00 25.20 O ATOM 304 OD2 ASP A 20 -2.732 9.938 8.357 1.00 24.30 O ATOM 0 H ASP A 20 1.051 9.990 5.363 1.00 32.40 H new ATOM 0 HA ASP A 20 -1.043 11.791 5.578 1.00 54.00 H new ATOM 0 HB2 ASP A 20 -0.987 9.239 5.901 1.00 21.40 H new ATOM 0 HB3 ASP A 20 -0.432 9.546 7.535 1.00 21.40 H new ATOM 309 N LYS A 21 1.101 11.999 8.040 1.00 41.10 N ATOM 310 CA LYS A 21 1.495 12.795 9.196 1.00 23.20 C ATOM 311 C LYS A 21 1.877 14.214 8.780 1.00 3.14 C ATOM 312 O LYS A 21 1.790 15.148 9.577 1.00 52.50 O ATOM 313 CB LYS A 21 2.666 12.132 9.923 1.00 73.30 C ATOM 314 CG LYS A 21 2.234 11.125 10.978 1.00 5.25 C ATOM 315 CD LYS A 21 3.091 9.869 10.935 1.00 22.00 C ATOM 316 CE LYS A 21 2.889 9.014 12.175 1.00 14.40 C ATOM 317 NZ LYS A 21 3.562 9.598 13.368 1.00 40.50 N ATOM 0 H LYS A 21 1.799 11.319 7.739 1.00 41.10 H new ATOM 0 HA LYS A 21 0.642 12.853 9.872 1.00 23.20 H new ATOM 0 HB2 LYS A 21 3.300 11.631 9.192 1.00 73.30 H new ATOM 0 HB3 LYS A 21 3.273 12.904 10.396 1.00 73.30 H new ATOM 0 HG2 LYS A 21 2.303 11.580 11.966 1.00 5.25 H new ATOM 0 HG3 LYS A 21 1.189 10.859 10.822 1.00 5.25 H new ATOM 0 HD2 LYS A 21 2.843 9.288 10.047 1.00 22.00 H new ATOM 0 HD3 LYS A 21 4.142 10.147 10.851 1.00 22.00 H new ATOM 0 HE2 LYS A 21 1.822 8.910 12.374 1.00 14.40 H new ATOM 0 HE3 LYS A 21 3.278 8.012 11.993 1.00 14.40 H new ATOM 0 HZ1 LYS A 21 3.532 8.916 14.152 1.00 40.50 H new ATOM 0 HZ2 LYS A 21 4.552 9.815 13.136 1.00 40.50 H new ATOM 0 HZ3 LYS A 21 3.073 10.471 13.650 1.00 40.50 H new ATOM 331 N ALA A 22 2.305 14.368 7.530 1.00 50.40 N ATOM 332 CA ALA A 22 2.702 15.673 7.015 1.00 22.50 C ATOM 333 C ALA A 22 1.561 16.340 6.250 1.00 15.10 C ATOM 334 O ALA A 22 1.795 17.154 5.357 1.00 1.11 O ATOM 335 CB ALA A 22 3.926 15.536 6.123 1.00 34.20 C ATOM 0 H ALA A 22 2.385 13.606 6.857 1.00 50.40 H new ATOM 0 HA ALA A 22 2.950 16.308 7.865 1.00 22.50 H new ATOM 0 HB1 ALA A 22 4.212 16.517 5.745 1.00 34.20 H new ATOM 0 HB2 ALA A 22 4.750 15.114 6.698 1.00 34.20 H new ATOM 0 HB3 ALA A 22 3.694 14.878 5.286 1.00 34.20 H new ATOM 341 N LYS A 23 0.328 15.993 6.607 1.00 4.51 N ATOM 342 CA LYS A 23 -0.845 16.564 5.953 1.00 52.40 C ATOM 343 C LYS A 23 -0.810 16.313 4.447 1.00 73.20 C ATOM 344 O LYS A 23 -1.053 17.219 3.650 1.00 42.20 O ATOM 345 CB LYS A 23 -0.929 18.066 6.231 1.00 34.10 C ATOM 346 CG LYS A 23 -1.293 18.401 7.669 1.00 63.10 C ATOM 347 CD LYS A 23 -2.764 18.764 7.803 1.00 21.40 C ATOM 348 CE LYS A 23 -3.547 17.668 8.510 1.00 45.40 C ATOM 349 NZ LYS A 23 -3.613 17.892 9.980 1.00 41.20 N ATOM 0 H LYS A 23 0.115 15.321 7.344 1.00 4.51 H new ATOM 0 HA LYS A 23 -1.730 16.075 6.361 1.00 52.40 H new ATOM 0 HB2 LYS A 23 0.030 18.525 5.992 1.00 34.10 H new ATOM 0 HB3 LYS A 23 -1.670 18.509 5.565 1.00 34.10 H new ATOM 0 HG2 LYS A 23 -1.068 17.549 8.310 1.00 63.10 H new ATOM 0 HG3 LYS A 23 -0.679 19.232 8.016 1.00 63.10 H new ATOM 0 HD2 LYS A 23 -2.860 19.697 8.358 1.00 21.40 H new ATOM 0 HD3 LYS A 23 -3.189 18.936 6.814 1.00 21.40 H new ATOM 0 HE2 LYS A 23 -4.558 17.624 8.104 1.00 45.40 H new ATOM 0 HE3 LYS A 23 -3.081 16.703 8.311 1.00 45.40 H new ATOM 0 HZ1 LYS A 23 -4.155 17.123 10.424 1.00 41.20 H new ATOM 0 HZ2 LYS A 23 -2.650 17.908 10.372 1.00 41.20 H new ATOM 0 HZ3 LYS A 23 -4.080 18.801 10.172 1.00 41.20 H new ATOM 363 N ASN A 24 -0.505 15.077 4.065 1.00 40.30 N ATOM 364 CA ASN A 24 -0.437 14.708 2.655 1.00 5.15 C ATOM 365 C ASN A 24 -1.407 13.573 2.342 1.00 53.10 C ATOM 366 O ASN A 24 -1.051 12.603 1.672 1.00 0.15 O ATOM 367 CB ASN A 24 0.989 14.297 2.282 1.00 4.43 C ATOM 368 CG ASN A 24 1.873 15.489 1.974 1.00 53.30 C ATOM 369 OD1 ASN A 24 2.567 16.006 2.850 1.00 21.30 O ATOM 370 ND2 ASN A 24 1.850 15.936 0.724 1.00 53.00 N ATOM 0 H ASN A 24 -0.301 14.315 4.711 1.00 40.30 H new ATOM 0 HA ASN A 24 -0.722 15.577 2.063 1.00 5.15 H new ATOM 0 HB2 ASN A 24 1.426 13.727 3.102 1.00 4.43 H new ATOM 0 HB3 ASN A 24 0.959 13.637 1.415 1.00 4.43 H new ATOM 0 HD21 ASN A 24 2.422 16.738 0.458 1.00 53.00 H new ATOM 0 HD22 ASN A 24 1.260 15.478 0.029 1.00 53.00 H new ATOM 377 N TYR A 25 -2.637 13.702 2.832 1.00 45.00 N ATOM 378 CA TYR A 25 -3.664 12.688 2.606 1.00 10.00 C ATOM 379 C TYR A 25 -3.786 12.348 1.123 1.00 61.20 C ATOM 380 O TYR A 25 -3.902 11.180 0.751 1.00 65.40 O ATOM 381 CB TYR A 25 -5.014 13.173 3.140 1.00 34.20 C ATOM 382 CG TYR A 25 -5.067 13.280 4.646 1.00 3.22 C ATOM 383 CD1 TYR A 25 -4.631 14.428 5.297 1.00 44.10 C ATOM 384 CD2 TYR A 25 -5.555 12.234 5.420 1.00 53.30 C ATOM 385 CE1 TYR A 25 -4.679 14.529 6.674 1.00 30.40 C ATOM 386 CE2 TYR A 25 -5.607 12.328 6.797 1.00 42.50 C ATOM 387 CZ TYR A 25 -5.167 13.478 7.419 1.00 42.40 C ATOM 388 OH TYR A 25 -5.216 13.575 8.792 1.00 13.40 O ATOM 0 H TYR A 25 -2.947 14.499 3.388 1.00 45.00 H new ATOM 0 HA TYR A 25 -3.368 11.786 3.142 1.00 10.00 H new ATOM 0 HB2 TYR A 25 -5.237 14.148 2.707 1.00 34.20 H new ATOM 0 HB3 TYR A 25 -5.794 12.489 2.805 1.00 34.20 H new ATOM 0 HD1 TYR A 25 -4.248 15.255 4.717 1.00 44.10 H new ATOM 0 HD2 TYR A 25 -5.900 11.332 4.936 1.00 53.30 H new ATOM 0 HE1 TYR A 25 -4.335 15.428 7.164 1.00 30.40 H new ATOM 0 HE2 TYR A 25 -5.990 11.506 7.383 1.00 42.50 H new ATOM 0 HH TYR A 25 -6.069 13.976 9.061 1.00 13.40 H new ATOM 398 N GLU A 26 -3.757 13.376 0.280 1.00 11.10 N ATOM 399 CA GLU A 26 -3.863 13.185 -1.161 1.00 13.00 C ATOM 400 C GLU A 26 -2.710 12.333 -1.682 1.00 13.00 C ATOM 401 O GLU A 26 -2.905 11.447 -2.513 1.00 72.40 O ATOM 402 CB GLU A 26 -3.880 14.537 -1.878 1.00 44.10 C ATOM 403 CG GLU A 26 -2.702 15.428 -1.522 1.00 51.10 C ATOM 404 CD GLU A 26 -1.593 15.367 -2.553 1.00 3.15 C ATOM 405 OE1 GLU A 26 -1.907 15.287 -3.759 1.00 52.40 O ATOM 406 OE2 GLU A 26 -0.409 15.400 -2.154 1.00 62.10 O ATOM 0 H GLU A 26 -3.661 14.349 0.571 1.00 11.10 H new ATOM 0 HA GLU A 26 -4.798 12.664 -1.365 1.00 13.00 H new ATOM 0 HB2 GLU A 26 -3.885 14.368 -2.955 1.00 44.10 H new ATOM 0 HB3 GLU A 26 -4.806 15.057 -1.633 1.00 44.10 H new ATOM 0 HG2 GLU A 26 -3.046 16.458 -1.425 1.00 51.10 H new ATOM 0 HG3 GLU A 26 -2.307 15.131 -0.551 1.00 51.10 H new ATOM 413 N GLU A 27 -1.508 12.609 -1.188 1.00 14.20 N ATOM 414 CA GLU A 27 -0.322 11.867 -1.602 1.00 21.40 C ATOM 415 C GLU A 27 -0.343 10.451 -1.036 1.00 0.34 C ATOM 416 O GLU A 27 -0.017 9.489 -1.731 1.00 12.40 O ATOM 417 CB GLU A 27 0.945 12.593 -1.146 1.00 75.30 C ATOM 418 CG GLU A 27 2.159 12.298 -2.012 1.00 32.20 C ATOM 419 CD GLU A 27 2.504 13.444 -2.943 1.00 54.40 C ATOM 420 OE1 GLU A 27 1.571 14.047 -3.514 1.00 70.20 O ATOM 421 OE2 GLU A 27 3.707 13.739 -3.100 1.00 73.20 O ATOM 0 H GLU A 27 -1.329 13.341 -0.501 1.00 14.20 H new ATOM 0 HA GLU A 27 -0.324 11.805 -2.690 1.00 21.40 H new ATOM 0 HB2 GLU A 27 0.759 13.667 -1.149 1.00 75.30 H new ATOM 0 HB3 GLU A 27 1.166 12.310 -0.117 1.00 75.30 H new ATOM 0 HG2 GLU A 27 3.015 12.085 -1.371 1.00 32.20 H new ATOM 0 HG3 GLU A 27 1.971 11.400 -2.601 1.00 32.20 H new ATOM 428 N ALA A 28 -0.729 10.332 0.230 1.00 31.50 N ATOM 429 CA ALA A 28 -0.792 9.033 0.891 1.00 31.40 C ATOM 430 C ALA A 28 -1.742 8.091 0.159 1.00 53.40 C ATOM 431 O ALA A 28 -1.537 6.878 0.142 1.00 73.40 O ATOM 432 CB ALA A 28 -1.224 9.201 2.340 1.00 1.13 C ATOM 0 H ALA A 28 -1.003 11.119 0.819 1.00 31.50 H new ATOM 0 HA ALA A 28 0.204 8.591 0.869 1.00 31.40 H new ATOM 0 HB1 ALA A 28 -1.267 8.224 2.822 1.00 1.13 H new ATOM 0 HB2 ALA A 28 -0.506 9.833 2.863 1.00 1.13 H new ATOM 0 HB3 ALA A 28 -2.209 9.667 2.374 1.00 1.13 H new ATOM 438 N LEU A 29 -2.783 8.658 -0.443 1.00 11.50 N ATOM 439 CA LEU A 29 -3.765 7.868 -1.176 1.00 73.20 C ATOM 440 C LEU A 29 -3.112 7.137 -2.345 1.00 52.00 C ATOM 441 O LEU A 29 -3.240 5.920 -2.479 1.00 74.40 O ATOM 442 CB LEU A 29 -4.893 8.765 -1.687 1.00 62.00 C ATOM 443 CG LEU A 29 -6.127 8.021 -2.204 1.00 73.30 C ATOM 444 CD1 LEU A 29 -7.139 7.824 -1.086 1.00 24.00 C ATOM 445 CD2 LEU A 29 -6.755 8.775 -3.367 1.00 72.50 C ATOM 0 H LEU A 29 -2.968 9.661 -0.437 1.00 11.50 H new ATOM 0 HA LEU A 29 -4.180 7.127 -0.494 1.00 73.20 H new ATOM 0 HB2 LEU A 29 -5.200 9.432 -0.881 1.00 62.00 H new ATOM 0 HB3 LEU A 29 -4.503 9.392 -2.489 1.00 62.00 H new ATOM 0 HG LEU A 29 -5.814 7.039 -2.559 1.00 73.30 H new ATOM 0 HD11 LEU A 29 -8.009 7.293 -1.472 1.00 24.00 H new ATOM 0 HD12 LEU A 29 -6.686 7.242 -0.284 1.00 24.00 H new ATOM 0 HD13 LEU A 29 -7.448 8.795 -0.700 1.00 24.00 H new ATOM 0 HD21 LEU A 29 -7.631 8.232 -3.722 1.00 72.50 H new ATOM 0 HD22 LEU A 29 -7.054 9.770 -3.037 1.00 72.50 H new ATOM 0 HD23 LEU A 29 -6.031 8.864 -4.176 1.00 72.50 H new ATOM 457 N ARG A 30 -2.412 7.889 -3.190 1.00 32.10 N ATOM 458 CA ARG A 30 -1.739 7.312 -4.348 1.00 50.20 C ATOM 459 C ARG A 30 -0.598 6.396 -3.915 1.00 10.20 C ATOM 460 O ARG A 30 -0.327 5.382 -4.559 1.00 3.13 O ATOM 461 CB ARG A 30 -1.201 8.420 -5.255 1.00 0.11 C ATOM 462 CG ARG A 30 -2.226 8.947 -6.246 1.00 1.31 C ATOM 463 CD ARG A 30 -3.142 9.977 -5.605 1.00 72.20 C ATOM 464 NE ARG A 30 -3.777 10.839 -6.600 1.00 23.10 N ATOM 465 CZ ARG A 30 -4.807 10.464 -7.356 1.00 43.40 C ATOM 466 NH1 ARG A 30 -5.320 9.246 -7.234 1.00 44.30 N ATOM 467 NH2 ARG A 30 -5.325 11.311 -8.236 1.00 71.30 N ATOM 0 H ARG A 30 -2.297 8.898 -3.094 1.00 32.10 H new ATOM 0 HA ARG A 30 -2.467 6.719 -4.901 1.00 50.20 H new ATOM 0 HB2 ARG A 30 -0.849 9.245 -4.636 1.00 0.11 H new ATOM 0 HB3 ARG A 30 -0.338 8.042 -5.804 1.00 0.11 H new ATOM 0 HG2 ARG A 30 -1.714 9.394 -7.098 1.00 1.31 H new ATOM 0 HG3 ARG A 30 -2.821 8.119 -6.631 1.00 1.31 H new ATOM 0 HD2 ARG A 30 -3.910 9.467 -5.024 1.00 72.20 H new ATOM 0 HD3 ARG A 30 -2.569 10.589 -4.908 1.00 72.20 H new ATOM 0 HE ARG A 30 -3.410 11.783 -6.722 1.00 23.10 H new ATOM 0 HH11 ARG A 30 -4.925 8.592 -6.558 1.00 44.30 H new ATOM 0 HH12 ARG A 30 -6.109 8.964 -7.816 1.00 44.30 H new ATOM 0 HH21 ARG A 30 -4.934 12.248 -8.333 1.00 71.30 H new ATOM 0 HH22 ARG A 30 -6.114 11.025 -8.816 1.00 71.30 H new ATOM 481 N LEU A 31 0.066 6.760 -2.824 1.00 14.00 N ATOM 482 CA LEU A 31 1.178 5.970 -2.307 1.00 14.20 C ATOM 483 C LEU A 31 0.682 4.659 -1.703 1.00 62.30 C ATOM 484 O LEU A 31 1.345 3.628 -1.804 1.00 3.22 O ATOM 485 CB LEU A 31 1.954 6.770 -1.258 1.00 2.22 C ATOM 486 CG LEU A 31 3.202 7.484 -1.782 1.00 40.20 C ATOM 487 CD1 LEU A 31 4.249 6.474 -2.222 1.00 72.30 C ATOM 488 CD2 LEU A 31 2.840 8.415 -2.930 1.00 74.40 C ATOM 0 H LEU A 31 -0.146 7.597 -2.280 1.00 14.00 H new ATOM 0 HA LEU A 31 1.842 5.735 -3.139 1.00 14.20 H new ATOM 0 HB2 LEU A 31 1.286 7.512 -0.821 1.00 2.22 H new ATOM 0 HB3 LEU A 31 2.250 6.096 -0.454 1.00 2.22 H new ATOM 0 HG LEU A 31 3.622 8.082 -0.974 1.00 40.20 H new ATOM 0 HD11 LEU A 31 5.129 7.000 -2.592 1.00 72.30 H new ATOM 0 HD12 LEU A 31 4.529 5.848 -1.375 1.00 72.30 H new ATOM 0 HD13 LEU A 31 3.840 5.849 -3.016 1.00 72.30 H new ATOM 0 HD21 LEU A 31 3.739 8.915 -3.291 1.00 74.40 H new ATOM 0 HD22 LEU A 31 2.396 7.837 -3.741 1.00 74.40 H new ATOM 0 HD23 LEU A 31 2.125 9.161 -2.582 1.00 74.40 H new ATOM 500 N TYR A 32 -0.487 4.709 -1.073 1.00 53.30 N ATOM 501 CA TYR A 32 -1.070 3.526 -0.451 1.00 55.40 C ATOM 502 C TYR A 32 -1.668 2.595 -1.502 1.00 15.40 C ATOM 503 O TYR A 32 -1.544 1.374 -1.405 1.00 43.10 O ATOM 504 CB TYR A 32 -2.146 3.932 0.559 1.00 14.10 C ATOM 505 CG TYR A 32 -1.625 4.086 1.970 1.00 65.30 C ATOM 506 CD1 TYR A 32 -1.014 3.022 2.624 1.00 52.50 C ATOM 507 CD2 TYR A 32 -1.745 5.292 2.649 1.00 5.24 C ATOM 508 CE1 TYR A 32 -0.538 3.158 3.915 1.00 34.20 C ATOM 509 CE2 TYR A 32 -1.271 5.435 3.938 1.00 42.30 C ATOM 510 CZ TYR A 32 -0.668 4.366 4.567 1.00 72.20 C ATOM 511 OH TYR A 32 -0.194 4.504 5.851 1.00 12.20 O ATOM 0 H TYR A 32 -1.049 5.555 -0.980 1.00 53.30 H new ATOM 0 HA TYR A 32 -0.275 2.992 0.070 1.00 55.40 H new ATOM 0 HB2 TYR A 32 -2.594 4.874 0.241 1.00 14.10 H new ATOM 0 HB3 TYR A 32 -2.939 3.184 0.553 1.00 14.10 H new ATOM 0 HD1 TYR A 32 -0.910 2.075 2.116 1.00 52.50 H new ATOM 0 HD2 TYR A 32 -2.217 6.132 2.161 1.00 5.24 H new ATOM 0 HE1 TYR A 32 -0.067 2.322 4.410 1.00 34.20 H new ATOM 0 HE2 TYR A 32 -1.372 6.380 4.451 1.00 42.30 H new ATOM 0 HH TYR A 32 0.201 3.657 6.147 1.00 12.20 H new ATOM 521 N GLN A 33 -2.315 3.179 -2.505 1.00 52.30 N ATOM 522 CA GLN A 33 -2.932 2.402 -3.572 1.00 33.30 C ATOM 523 C GLN A 33 -1.873 1.726 -4.438 1.00 53.30 C ATOM 524 O GLN A 33 -2.062 0.603 -4.904 1.00 31.40 O ATOM 525 CB GLN A 33 -3.817 3.300 -4.439 1.00 2.54 C ATOM 526 CG GLN A 33 -5.237 3.441 -3.915 1.00 34.30 C ATOM 527 CD GLN A 33 -6.279 3.301 -5.009 1.00 72.30 C ATOM 528 OE1 GLN A 33 -6.333 2.287 -5.705 1.00 11.50 O ATOM 529 NE2 GLN A 33 -7.113 4.322 -5.165 1.00 33.00 N ATOM 0 H GLN A 33 -2.425 4.188 -2.601 1.00 52.30 H new ATOM 0 HA GLN A 33 -3.548 1.629 -3.113 1.00 33.30 H new ATOM 0 HB2 GLN A 33 -3.363 4.289 -4.505 1.00 2.54 H new ATOM 0 HB3 GLN A 33 -3.850 2.896 -5.451 1.00 2.54 H new ATOM 0 HG2 GLN A 33 -5.415 2.685 -3.150 1.00 34.30 H new ATOM 0 HG3 GLN A 33 -5.348 4.413 -3.435 1.00 34.30 H new ATOM 0 HE21 GLN A 33 -7.032 5.143 -4.565 1.00 33.00 H new ATOM 0 HE22 GLN A 33 -7.835 4.285 -5.885 1.00 33.00 H new ATOM 538 N HIS A 34 -0.758 2.419 -4.649 1.00 15.30 N ATOM 539 CA HIS A 34 0.331 1.887 -5.459 1.00 31.30 C ATOM 540 C HIS A 34 0.957 0.662 -4.800 1.00 52.10 C ATOM 541 O HIS A 34 1.202 -0.350 -5.457 1.00 73.20 O ATOM 542 CB HIS A 34 1.397 2.961 -5.684 1.00 33.00 C ATOM 543 CG HIS A 34 1.218 3.725 -6.958 1.00 51.10 C ATOM 544 ND1 HIS A 34 2.093 3.636 -8.020 1.00 22.30 N ATOM 545 CD2 HIS A 34 0.254 4.599 -7.340 1.00 15.30 C ATOM 546 CE1 HIS A 34 1.677 4.421 -8.998 1.00 20.30 C ATOM 547 NE2 HIS A 34 0.563 5.015 -8.611 1.00 70.40 N ATOM 0 H HIS A 34 -0.586 3.350 -4.270 1.00 15.30 H new ATOM 0 HA HIS A 34 -0.081 1.585 -6.422 1.00 31.30 H new ATOM 0 HB2 HIS A 34 1.381 3.658 -4.847 1.00 33.00 H new ATOM 0 HB3 HIS A 34 2.380 2.490 -5.687 1.00 33.00 H new ATOM 0 HD2 HIS A 34 -0.598 4.910 -6.754 1.00 15.30 H new ATOM 0 HE1 HIS A 34 2.165 4.554 -9.952 1.00 20.30 H new ATOM 0 HE2 HIS A 34 0.020 5.676 -9.167 1.00 70.40 H new ATOM 556 N ALA A 35 1.213 0.760 -3.500 1.00 45.20 N ATOM 557 CA ALA A 35 1.812 -0.340 -2.753 1.00 72.50 C ATOM 558 C ALA A 35 0.953 -1.598 -2.837 1.00 22.20 C ATOM 559 O ALA A 35 1.472 -2.710 -2.924 1.00 3.14 O ATOM 560 CB ALA A 35 2.022 0.062 -1.301 1.00 62.40 C ATOM 0 H ALA A 35 1.015 1.590 -2.942 1.00 45.20 H new ATOM 0 HA ALA A 35 2.780 -0.565 -3.201 1.00 72.50 H new ATOM 0 HB1 ALA A 35 2.470 -0.768 -0.755 1.00 62.40 H new ATOM 0 HB2 ALA A 35 2.685 0.926 -1.255 1.00 62.40 H new ATOM 0 HB3 ALA A 35 1.062 0.317 -0.851 1.00 62.40 H new ATOM 566 N VAL A 36 -0.363 -1.413 -2.811 1.00 53.10 N ATOM 567 CA VAL A 36 -1.292 -2.534 -2.884 1.00 35.00 C ATOM 568 C VAL A 36 -1.208 -3.231 -4.238 1.00 62.40 C ATOM 569 O VAL A 36 -1.423 -4.438 -4.341 1.00 73.10 O ATOM 570 CB VAL A 36 -2.745 -2.077 -2.642 1.00 32.40 C ATOM 571 CG1 VAL A 36 -3.677 -3.276 -2.561 1.00 70.10 C ATOM 572 CG2 VAL A 36 -2.838 -1.233 -1.380 1.00 4.51 C ATOM 0 H VAL A 36 -0.809 -0.499 -2.740 1.00 53.10 H new ATOM 0 HA VAL A 36 -1.004 -3.235 -2.100 1.00 35.00 H new ATOM 0 HB VAL A 36 -3.057 -1.461 -3.486 1.00 32.40 H new ATOM 0 HG11 VAL A 36 -4.697 -2.933 -2.390 1.00 70.10 H new ATOM 0 HG12 VAL A 36 -3.634 -3.834 -3.496 1.00 70.10 H new ATOM 0 HG13 VAL A 36 -3.369 -3.922 -1.739 1.00 70.10 H new ATOM 0 HG21 VAL A 36 -3.871 -0.920 -1.227 1.00 4.51 H new ATOM 0 HG22 VAL A 36 -2.506 -1.821 -0.524 1.00 4.51 H new ATOM 0 HG23 VAL A 36 -2.204 -0.352 -1.484 1.00 4.51 H new ATOM 582 N GLU A 37 -0.894 -2.461 -5.276 1.00 64.20 N ATOM 583 CA GLU A 37 -0.783 -3.005 -6.624 1.00 52.20 C ATOM 584 C GLU A 37 0.446 -3.900 -6.752 1.00 44.40 C ATOM 585 O GLU A 37 0.424 -4.904 -7.464 1.00 72.30 O ATOM 586 CB GLU A 37 -0.711 -1.871 -7.649 1.00 4.33 C ATOM 587 CG GLU A 37 -2.025 -1.132 -7.831 1.00 2.41 C ATOM 588 CD GLU A 37 -2.839 -1.669 -8.993 1.00 42.10 C ATOM 589 OE1 GLU A 37 -2.256 -1.883 -10.070 1.00 21.20 O ATOM 590 OE2 GLU A 37 -4.058 -1.876 -8.819 1.00 54.10 O ATOM 0 H GLU A 37 -0.712 -1.460 -5.209 1.00 64.20 H new ATOM 0 HA GLU A 37 -1.670 -3.608 -6.819 1.00 52.20 H new ATOM 0 HB2 GLU A 37 0.056 -1.161 -7.340 1.00 4.33 H new ATOM 0 HB3 GLU A 37 -0.398 -2.280 -8.610 1.00 4.33 H new ATOM 0 HG2 GLU A 37 -2.611 -1.209 -6.915 1.00 2.41 H new ATOM 0 HG3 GLU A 37 -1.823 -0.073 -7.992 1.00 2.41 H new ATOM 597 N TYR A 38 1.518 -3.527 -6.059 1.00 40.10 N ATOM 598 CA TYR A 38 2.757 -4.295 -6.096 1.00 71.30 C ATOM 599 C TYR A 38 2.616 -5.600 -5.318 1.00 0.10 C ATOM 600 O TYR A 38 3.118 -6.642 -5.737 1.00 32.20 O ATOM 601 CB TYR A 38 3.910 -3.469 -5.524 1.00 41.50 C ATOM 602 CG TYR A 38 4.526 -2.517 -6.523 1.00 61.40 C ATOM 603 CD1 TYR A 38 5.515 -2.945 -7.401 1.00 43.30 C ATOM 604 CD2 TYR A 38 4.120 -1.190 -6.590 1.00 21.30 C ATOM 605 CE1 TYR A 38 6.081 -2.078 -8.315 1.00 24.00 C ATOM 606 CE2 TYR A 38 4.681 -0.317 -7.502 1.00 34.00 C ATOM 607 CZ TYR A 38 5.661 -0.765 -8.363 1.00 14.30 C ATOM 608 OH TYR A 38 6.223 0.100 -9.273 1.00 51.40 O ATOM 0 H TYR A 38 1.553 -2.698 -5.466 1.00 40.10 H new ATOM 0 HA TYR A 38 2.972 -4.537 -7.137 1.00 71.30 H new ATOM 0 HB2 TYR A 38 3.548 -2.900 -4.668 1.00 41.50 H new ATOM 0 HB3 TYR A 38 4.682 -4.145 -5.155 1.00 41.50 H new ATOM 0 HD1 TYR A 38 5.846 -3.972 -7.368 1.00 43.30 H new ATOM 0 HD2 TYR A 38 3.353 -0.835 -5.918 1.00 21.30 H new ATOM 0 HE1 TYR A 38 6.849 -2.427 -8.989 1.00 24.00 H new ATOM 0 HE2 TYR A 38 4.354 0.711 -7.541 1.00 34.00 H new ATOM 0 HH TYR A 38 5.815 0.986 -9.177 1.00 51.40 H new ATOM 618 N PHE A 39 1.930 -5.534 -4.181 1.00 74.20 N ATOM 619 CA PHE A 39 1.725 -6.710 -3.343 1.00 34.00 C ATOM 620 C PHE A 39 0.918 -7.772 -4.081 1.00 21.30 C ATOM 621 O PHE A 39 1.307 -8.940 -4.130 1.00 41.50 O ATOM 622 CB PHE A 39 1.012 -6.321 -2.048 1.00 1.22 C ATOM 623 CG PHE A 39 1.944 -5.848 -0.968 1.00 3.24 C ATOM 624 CD1 PHE A 39 2.921 -6.690 -0.462 1.00 61.50 C ATOM 625 CD2 PHE A 39 1.843 -4.564 -0.461 1.00 33.10 C ATOM 626 CE1 PHE A 39 3.780 -6.259 0.531 1.00 63.40 C ATOM 627 CE2 PHE A 39 2.699 -4.126 0.532 1.00 70.30 C ATOM 628 CZ PHE A 39 3.669 -4.974 1.028 1.00 44.30 C ATOM 0 H PHE A 39 1.507 -4.679 -3.819 1.00 74.20 H new ATOM 0 HA PHE A 39 2.703 -7.126 -3.101 1.00 34.00 H new ATOM 0 HB2 PHE A 39 0.289 -5.534 -2.263 1.00 1.22 H new ATOM 0 HB3 PHE A 39 0.449 -7.179 -1.681 1.00 1.22 H new ATOM 0 HD1 PHE A 39 3.012 -7.695 -0.848 1.00 61.50 H new ATOM 0 HD2 PHE A 39 1.086 -3.896 -0.846 1.00 33.10 H new ATOM 0 HE1 PHE A 39 4.537 -6.925 0.918 1.00 63.40 H new ATOM 0 HE2 PHE A 39 2.609 -3.122 0.919 1.00 70.30 H new ATOM 0 HZ PHE A 39 4.340 -4.634 1.803 1.00 44.30 H new ATOM 638 N LEU A 40 -0.208 -7.362 -4.656 1.00 72.20 N ATOM 639 CA LEU A 40 -1.072 -8.278 -5.391 1.00 33.10 C ATOM 640 C LEU A 40 -0.320 -8.930 -6.547 1.00 42.30 C ATOM 641 O LEU A 40 -0.425 -10.130 -6.769 1.00 55.10 O ATOM 642 CB LEU A 40 -2.302 -7.538 -5.919 1.00 45.40 C ATOM 643 CG LEU A 40 -3.519 -7.562 -4.990 1.00 75.50 C ATOM 644 CD1 LEU A 40 -4.278 -6.247 -5.069 1.00 52.40 C ATOM 645 CD2 LEU A 40 -4.432 -8.728 -5.341 1.00 35.10 C ATOM 0 H LEU A 40 -0.544 -6.399 -4.627 1.00 72.20 H new ATOM 0 HA LEU A 40 -1.394 -9.062 -4.705 1.00 33.10 H new ATOM 0 HB2 LEU A 40 -2.029 -6.500 -6.109 1.00 45.40 H new ATOM 0 HB3 LEU A 40 -2.586 -7.974 -6.877 1.00 45.40 H new ATOM 0 HG LEU A 40 -3.169 -7.694 -3.966 1.00 75.50 H new ATOM 0 HD11 LEU A 40 -5.139 -6.283 -4.402 1.00 52.40 H new ATOM 0 HD12 LEU A 40 -3.622 -5.430 -4.770 1.00 52.40 H new ATOM 0 HD13 LEU A 40 -4.618 -6.084 -6.092 1.00 52.40 H new ATOM 0 HD21 LEU A 40 -5.292 -8.731 -4.672 1.00 35.10 H new ATOM 0 HD22 LEU A 40 -4.774 -8.625 -6.371 1.00 35.10 H new ATOM 0 HD23 LEU A 40 -3.885 -9.664 -5.232 1.00 35.10 H new ATOM 657 N HIS A 41 0.439 -8.123 -7.283 1.00 33.40 N ATOM 658 CA HIS A 41 1.207 -8.622 -8.418 1.00 3.32 C ATOM 659 C HIS A 41 2.249 -9.641 -7.969 1.00 2.22 C ATOM 660 O HIS A 41 2.596 -10.550 -8.713 1.00 4.05 O ATOM 661 CB HIS A 41 1.892 -7.463 -9.145 1.00 14.40 C ATOM 662 CG HIS A 41 2.354 -7.812 -10.520 1.00 23.20 C ATOM 663 ND1 HIS A 41 1.938 -7.134 -11.650 1.00 73.40 N ATOM 664 CD2 HIS A 41 3.202 -8.775 -10.960 1.00 74.40 C ATOM 665 CE1 HIS A 41 2.510 -7.664 -12.720 1.00 60.10 C ATOM 666 NE2 HIS A 41 3.282 -8.661 -12.320 1.00 20.40 N ATOM 0 H HIS A 41 0.538 -7.122 -7.114 1.00 33.40 H new ATOM 0 HA HIS A 41 0.516 -9.115 -9.101 1.00 3.32 H new ATOM 0 HB2 HIS A 41 1.200 -6.623 -9.205 1.00 14.40 H new ATOM 0 HB3 HIS A 41 2.747 -7.130 -8.557 1.00 14.40 H new ATOM 0 HD2 HIS A 41 3.719 -9.499 -10.348 1.00 74.40 H new ATOM 0 HE1 HIS A 41 2.371 -7.339 -13.741 1.00 60.10 H new ATOM 0 HE2 HIS A 41 3.848 -9.251 -12.930 1.00 20.40 H new ATOM 675 N ALA A 42 2.746 -9.475 -6.747 1.00 73.10 N ATOM 676 CA ALA A 42 3.749 -10.380 -6.201 1.00 61.40 C ATOM 677 C ALA A 42 3.138 -11.730 -5.843 1.00 11.30 C ATOM 678 O ALA A 42 3.810 -12.760 -5.898 1.00 1.42 O ATOM 679 CB ALA A 42 4.409 -9.757 -4.979 1.00 14.30 C ATOM 0 H ALA A 42 2.470 -8.722 -6.117 1.00 73.10 H new ATOM 0 HA ALA A 42 4.506 -10.547 -6.967 1.00 61.40 H new ATOM 0 HB1 ALA A 42 5.157 -10.443 -4.580 1.00 14.30 H new ATOM 0 HB2 ALA A 42 4.890 -8.821 -5.263 1.00 14.30 H new ATOM 0 HB3 ALA A 42 3.654 -9.561 -4.218 1.00 14.30 H new ATOM 685 N ILE A 43 1.861 -11.710 -5.474 1.00 52.40 N ATOM 686 CA ILE A 43 1.161 -12.940 -5.105 1.00 10.10 C ATOM 687 C ILE A 43 0.786 -13.750 -6.340 1.00 21.50 C ATOM 688 O ILE A 43 1.077 -14.950 -6.421 1.00 34.40 O ATOM 689 CB ILE A 43 -0.115 -12.640 -4.295 1.00 12.20 C ATOM 690 CG1 ILE A 43 0.202 -11.700 -3.131 1.00 75.20 C ATOM 691 CG2 ILE A 43 -0.739 -13.930 -3.786 1.00 34.50 C ATOM 692 CD1 ILE A 43 -0.969 -10.830 -2.715 1.00 54.10 C ATOM 0 H ILE A 43 1.292 -10.865 -5.422 1.00 52.40 H new ATOM 0 HA ILE A 43 1.846 -13.520 -4.487 1.00 10.10 H new ATOM 0 HB ILE A 43 -0.833 -12.148 -4.950 1.00 12.20 H new ATOM 0 HG12 ILE A 43 0.526 -12.292 -2.275 1.00 75.20 H new ATOM 0 HG13 ILE A 43 1.038 -11.059 -3.410 1.00 75.20 H new ATOM 0 HG21 ILE A 43 -1.639 -13.699 -3.216 1.00 34.50 H new ATOM 0 HG22 ILE A 43 -0.999 -14.567 -4.632 1.00 34.50 H new ATOM 0 HG23 ILE A 43 -0.027 -14.450 -3.145 1.00 34.50 H new ATOM 0 HD11 ILE A 43 -0.670 -10.190 -1.885 1.00 54.10 H new ATOM 0 HD12 ILE A 43 -1.280 -10.211 -3.557 1.00 54.10 H new ATOM 0 HD13 ILE A 43 -1.800 -11.463 -2.404 1.00 54.10 H new ATOM 704 N LYS A 44 0.137 -13.100 -7.298 1.00 4.30 N ATOM 705 CA LYS A 44 -0.280 -13.760 -8.528 1.00 22.20 C ATOM 706 C LYS A 44 0.922 -14.340 -9.272 1.00 60.30 C ATOM 707 O LYS A 44 0.944 -15.520 -9.615 1.00 43.30 O ATOM 708 CB LYS A 44 -1.037 -12.780 -9.428 1.00 13.20 C ATOM 709 CG LYS A 44 -2.459 -13.220 -9.743 1.00 63.40 C ATOM 710 CD LYS A 44 -3.044 -12.430 -10.890 1.00 11.30 C ATOM 711 CE LYS A 44 -3.922 -11.290 -10.400 1.00 54.30 C ATOM 712 NZ LYS A 44 -5.022 -10.980 -11.350 1.00 65.20 N ATOM 0 H LYS A 44 -0.113 -12.112 -7.246 1.00 4.30 H new ATOM 0 HA LYS A 44 -0.946 -14.581 -8.263 1.00 22.20 H new ATOM 0 HB2 LYS A 44 -1.066 -11.803 -8.945 1.00 13.20 H new ATOM 0 HB3 LYS A 44 -0.488 -12.658 -10.361 1.00 13.20 H new ATOM 0 HG2 LYS A 44 -2.466 -14.281 -9.991 1.00 63.40 H new ATOM 0 HG3 LYS A 44 -3.084 -13.095 -8.858 1.00 63.40 H new ATOM 0 HD2 LYS A 44 -2.238 -12.030 -11.504 1.00 11.30 H new ATOM 0 HD3 LYS A 44 -3.630 -13.093 -11.526 1.00 11.30 H new ATOM 0 HE2 LYS A 44 -4.345 -11.551 -9.430 1.00 54.30 H new ATOM 0 HE3 LYS A 44 -3.310 -10.400 -10.252 1.00 54.30 H new ATOM 0 HZ1 LYS A 44 -5.594 -10.197 -10.975 1.00 65.20 H new ATOM 0 HZ2 LYS A 44 -4.620 -10.706 -12.269 1.00 65.20 H new ATOM 0 HZ3 LYS A 44 -5.623 -11.820 -11.472 1.00 65.20 H new ATOM 726 N TYR A 45 1.917 -13.500 -9.522 1.00 50.30 N ATOM 727 CA TYR A 45 3.121 -13.920 -10.220 1.00 53.20 C ATOM 728 C TYR A 45 3.961 -14.850 -9.358 1.00 0.12 C ATOM 729 O TYR A 45 4.149 -16.020 -9.689 1.00 5.13 O ATOM 730 CB TYR A 45 3.950 -12.710 -10.640 1.00 71.30 C ATOM 731 CG TYR A 45 3.473 -12.060 -11.920 1.00 33.50 C ATOM 732 CD1 TYR A 45 2.178 -11.560 -12.030 1.00 14.00 C ATOM 733 CD2 TYR A 45 4.315 -11.940 -13.010 1.00 51.10 C ATOM 734 CE1 TYR A 45 1.737 -10.970 -13.190 1.00 74.30 C ATOM 735 CE2 TYR A 45 3.882 -11.340 -14.190 1.00 10.10 C ATOM 736 CZ TYR A 45 2.593 -10.860 -14.270 1.00 22.40 C ATOM 737 OH TYR A 45 2.157 -10.270 -15.430 1.00 51.20 O ATOM 0 H TYR A 45 1.912 -12.517 -9.249 1.00 50.30 H new ATOM 0 HA TYR A 45 2.812 -14.464 -11.112 1.00 53.20 H new ATOM 0 HB2 TYR A 45 3.930 -11.971 -9.839 1.00 71.30 H new ATOM 0 HB3 TYR A 45 4.988 -13.018 -10.764 1.00 71.30 H new ATOM 0 HD1 TYR A 45 1.507 -11.637 -11.187 1.00 14.00 H new ATOM 0 HD2 TYR A 45 5.325 -12.318 -12.945 1.00 51.10 H new ATOM 0 HE1 TYR A 45 0.727 -10.594 -13.258 1.00 74.30 H new ATOM 0 HE2 TYR A 45 4.550 -11.252 -15.034 1.00 10.10 H new ATOM 0 HH TYR A 45 2.881 -10.272 -16.090 1.00 51.20 H new ATOM 747 N GLU A 46 4.463 -14.320 -8.247 1.00 41.30 N ATOM 748 CA GLU A 46 5.283 -15.110 -7.331 1.00 22.40 C ATOM 749 C GLU A 46 4.451 -15.630 -6.161 1.00 21.20 C ATOM 750 O GLU A 46 4.434 -15.030 -5.086 1.00 2.12 O ATOM 751 CB GLU A 46 6.449 -14.270 -6.810 1.00 74.20 C ATOM 752 CG GLU A 46 7.643 -14.230 -7.750 1.00 11.00 C ATOM 753 CD GLU A 46 8.893 -14.830 -7.130 1.00 12.40 C ATOM 754 OE1 GLU A 46 9.244 -14.430 -6.000 1.00 42.40 O ATOM 755 OE2 GLU A 46 9.520 -15.700 -7.773 1.00 20.20 O ATOM 0 H GLU A 46 4.318 -13.352 -7.959 1.00 41.30 H new ATOM 0 HA GLU A 46 5.675 -15.966 -7.880 1.00 22.40 H new ATOM 0 HB2 GLU A 46 6.102 -13.252 -6.635 1.00 74.20 H new ATOM 0 HB3 GLU A 46 6.769 -14.667 -5.847 1.00 74.20 H new ATOM 0 HG2 GLU A 46 7.399 -14.771 -8.664 1.00 11.00 H new ATOM 0 HG3 GLU A 46 7.843 -13.197 -8.035 1.00 11.00 H new ATOM 762 N ALA A 47 3.761 -16.740 -6.380 1.00 22.50 N ATOM 763 CA ALA A 47 2.926 -17.340 -5.343 1.00 14.50 C ATOM 764 C ALA A 47 3.762 -18.170 -4.376 1.00 35.20 C ATOM 765 O ALA A 47 4.392 -19.150 -4.769 1.00 32.20 O ATOM 766 CB ALA A 47 1.837 -18.190 -5.972 1.00 21.10 C ATOM 0 H ALA A 47 3.761 -17.245 -7.266 1.00 22.50 H new ATOM 0 HA ALA A 47 2.459 -16.536 -4.775 1.00 14.50 H new ATOM 0 HB1 ALA A 47 1.222 -18.632 -5.188 1.00 21.10 H new ATOM 0 HB2 ALA A 47 1.215 -17.567 -6.614 1.00 21.10 H new ATOM 0 HB3 ALA A 47 2.292 -18.983 -6.566 1.00 21.10 H new ATOM 772 N HIS A 48 3.763 -17.770 -3.109 1.00 13.40 N ATOM 773 CA HIS A 48 4.521 -18.470 -2.084 1.00 64.50 C ATOM 774 C HIS A 48 3.611 -19.390 -1.270 1.00 51.40 C ATOM 775 O HIS A 48 2.465 -19.640 -1.647 1.00 22.20 O ATOM 776 CB HIS A 48 5.224 -17.480 -1.162 1.00 14.50 C ATOM 777 CG HIS A 48 6.717 -17.510 -1.265 1.00 54.10 C ATOM 778 ND1 HIS A 48 7.453 -16.540 -1.907 1.00 63.30 N ATOM 779 CD2 HIS A 48 7.614 -18.420 -0.805 1.00 33.40 C ATOM 780 CE1 HIS A 48 8.737 -16.840 -1.837 1.00 1.31 C ATOM 781 NE2 HIS A 48 8.862 -17.980 -1.173 1.00 31.50 N ATOM 0 H HIS A 48 3.244 -16.961 -2.768 1.00 13.40 H new ATOM 0 HA HIS A 48 5.276 -19.079 -2.582 1.00 64.50 H new ATOM 0 HB2 HIS A 48 4.874 -16.474 -1.391 1.00 14.50 H new ATOM 0 HB3 HIS A 48 4.936 -17.691 -0.132 1.00 14.50 H new ATOM 0 HD2 HIS A 48 7.388 -19.321 -0.253 1.00 33.40 H new ATOM 0 HE1 HIS A 48 9.546 -16.256 -2.250 1.00 1.31 H new ATOM 0 HE2 HIS A 48 9.742 -18.454 -0.968 1.00 31.50 H new ATOM 790 N SER A 49 4.128 -19.890 -0.152 1.00 35.30 N ATOM 791 CA SER A 49 3.360 -20.780 0.712 1.00 70.20 C ATOM 792 C SER A 49 2.138 -20.060 1.280 1.00 10.20 C ATOM 793 O SER A 49 1.986 -18.850 1.118 1.00 5.14 O ATOM 794 CB SER A 49 4.238 -21.300 1.853 1.00 54.40 C ATOM 795 OG SER A 49 4.850 -22.530 1.506 1.00 50.20 O ATOM 0 H SER A 49 5.074 -19.695 0.177 1.00 35.30 H new ATOM 0 HA SER A 49 3.018 -21.625 0.114 1.00 70.20 H new ATOM 0 HB2 SER A 49 5.005 -20.563 2.091 1.00 54.40 H new ATOM 0 HB3 SER A 49 3.633 -21.432 2.750 1.00 54.40 H new ATOM 0 HG SER A 49 5.407 -22.840 2.251 1.00 50.20 H new ATOM 801 N ASP A 50 1.271 -20.820 1.944 1.00 24.10 N ATOM 802 CA ASP A 50 0.061 -20.260 2.534 1.00 52.10 C ATOM 803 C ASP A 50 0.401 -19.170 3.551 1.00 51.20 C ATOM 804 O ASP A 50 -0.312 -18.180 3.674 1.00 20.30 O ATOM 805 CB ASP A 50 -0.764 -21.360 3.202 1.00 50.30 C ATOM 806 CG ASP A 50 -1.410 -22.290 2.194 1.00 23.30 C ATOM 807 OD1 ASP A 50 -0.732 -23.230 1.736 1.00 32.20 O ATOM 808 OD2 ASP A 50 -2.595 -22.080 1.862 1.00 12.40 O ATOM 0 H ASP A 50 1.385 -21.824 2.086 1.00 24.10 H new ATOM 0 HA ASP A 50 -0.527 -19.811 1.734 1.00 52.10 H new ATOM 0 HB2 ASP A 50 -0.123 -21.938 3.867 1.00 50.30 H new ATOM 0 HB3 ASP A 50 -1.538 -20.905 3.821 1.00 50.30 H new ATOM 813 N LYS A 51 1.495 -19.370 4.280 1.00 74.30 N ATOM 814 CA LYS A 51 1.927 -18.410 5.288 1.00 4.31 C ATOM 815 C LYS A 51 2.213 -17.050 4.656 1.00 60.10 C ATOM 816 O LYS A 51 1.775 -16.020 5.159 1.00 20.00 O ATOM 817 CB LYS A 51 3.174 -18.930 6.011 1.00 54.00 C ATOM 818 CG LYS A 51 2.994 -19.060 7.516 1.00 24.10 C ATOM 819 CD LYS A 51 4.251 -19.590 8.183 1.00 13.10 C ATOM 820 CE LYS A 51 3.918 -20.580 9.290 1.00 33.10 C ATOM 821 NZ LYS A 51 3.987 -21.990 8.816 1.00 51.40 N ATOM 0 H LYS A 51 2.098 -20.188 4.191 1.00 74.30 H new ATOM 0 HA LYS A 51 1.122 -18.287 6.012 1.00 4.31 H new ATOM 0 HB2 LYS A 51 3.443 -19.903 5.600 1.00 54.00 H new ATOM 0 HB3 LYS A 51 4.008 -18.257 5.810 1.00 54.00 H new ATOM 0 HG2 LYS A 51 2.739 -18.088 7.938 1.00 24.10 H new ATOM 0 HG3 LYS A 51 2.159 -19.728 7.727 1.00 24.10 H new ATOM 0 HD2 LYS A 51 4.883 -20.074 7.438 1.00 13.10 H new ATOM 0 HD3 LYS A 51 4.823 -18.759 8.596 1.00 13.10 H new ATOM 0 HE2 LYS A 51 4.611 -20.442 10.120 1.00 33.10 H new ATOM 0 HE3 LYS A 51 2.918 -20.374 9.672 1.00 33.10 H new ATOM 0 HZ1 LYS A 51 3.753 -22.632 9.600 1.00 51.40 H new ATOM 0 HZ2 LYS A 51 3.308 -22.129 8.041 1.00 51.40 H new ATOM 0 HZ3 LYS A 51 4.948 -22.195 8.475 1.00 51.40 H new ATOM 835 N ALA A 52 2.952 -17.060 3.551 1.00 21.50 N ATOM 836 CA ALA A 52 3.298 -15.830 2.851 1.00 23.20 C ATOM 837 C ALA A 52 2.096 -15.270 2.098 1.00 71.40 C ATOM 838 O ALA A 52 1.842 -14.070 2.121 1.00 2.02 O ATOM 839 CB ALA A 52 4.454 -16.080 1.893 1.00 34.20 C ATOM 0 H ALA A 52 3.323 -17.908 3.122 1.00 21.50 H new ATOM 0 HA ALA A 52 3.605 -15.091 3.591 1.00 23.20 H new ATOM 0 HB1 ALA A 52 4.704 -15.154 1.375 1.00 34.20 H new ATOM 0 HB2 ALA A 52 5.322 -16.428 2.453 1.00 34.20 H new ATOM 0 HB3 ALA A 52 4.165 -16.837 1.164 1.00 34.20 H new ATOM 845 N LYS A 53 1.361 -16.150 1.428 1.00 3.23 N ATOM 846 CA LYS A 53 0.186 -15.750 0.666 1.00 22.20 C ATOM 847 C LYS A 53 -0.860 -15.110 1.573 1.00 32.30 C ATOM 848 O LYS A 53 -1.460 -14.090 1.224 1.00 4.33 O ATOM 849 CB LYS A 53 -0.421 -16.950 -0.056 1.00 2.20 C ATOM 850 CG LYS A 53 -1.457 -16.580 -1.103 1.00 44.00 C ATOM 851 CD LYS A 53 -1.668 -17.700 -2.107 1.00 31.10 C ATOM 852 CE LYS A 53 -3.138 -17.870 -2.456 1.00 21.00 C ATOM 853 NZ LYS A 53 -3.339 -18.140 -3.907 1.00 74.40 N ATOM 0 H LYS A 53 1.560 -17.150 1.398 1.00 3.23 H new ATOM 0 HA LYS A 53 0.503 -15.015 -0.073 1.00 22.20 H new ATOM 0 HB2 LYS A 53 0.378 -17.516 -0.534 1.00 2.20 H new ATOM 0 HB3 LYS A 53 -0.882 -17.609 0.680 1.00 2.20 H new ATOM 0 HG2 LYS A 53 -2.403 -16.348 -0.613 1.00 44.00 H new ATOM 0 HG3 LYS A 53 -1.139 -15.678 -1.626 1.00 44.00 H new ATOM 0 HD2 LYS A 53 -1.101 -17.489 -3.013 1.00 31.10 H new ATOM 0 HD3 LYS A 53 -1.280 -18.633 -1.699 1.00 31.10 H new ATOM 0 HE2 LYS A 53 -3.557 -18.690 -1.873 1.00 21.00 H new ATOM 0 HE3 LYS A 53 -3.684 -16.969 -2.176 1.00 21.00 H new ATOM 0 HZ1 LYS A 53 -4.355 -18.249 -4.102 1.00 74.40 H new ATOM 0 HZ2 LYS A 53 -2.963 -17.346 -4.463 1.00 74.40 H new ATOM 0 HZ3 LYS A 53 -2.840 -19.014 -4.170 1.00 74.40 H new ATOM 867 N GLU A 54 -1.073 -15.710 2.740 1.00 32.30 N ATOM 868 CA GLU A 54 -2.048 -15.200 3.696 1.00 3.33 C ATOM 869 C GLU A 54 -1.560 -13.900 4.333 1.00 65.30 C ATOM 870 O GLU A 54 -2.336 -12.960 4.532 1.00 1.11 O ATOM 871 CB GLU A 54 -2.321 -16.240 4.782 1.00 4.51 C ATOM 872 CG GLU A 54 -3.352 -17.280 4.381 1.00 31.50 C ATOM 873 CD GLU A 54 -3.484 -18.390 5.402 1.00 5.55 C ATOM 874 OE1 GLU A 54 -4.006 -18.130 6.504 1.00 61.40 O ATOM 875 OE2 GLU A 54 -3.064 -19.530 5.096 1.00 41.20 O ATOM 0 H GLU A 54 -0.583 -16.551 3.046 1.00 32.30 H new ATOM 0 HA GLU A 54 -2.973 -14.995 3.157 1.00 3.33 H new ATOM 0 HB2 GLU A 54 -1.388 -16.744 5.034 1.00 4.51 H new ATOM 0 HB3 GLU A 54 -2.662 -15.731 5.684 1.00 4.51 H new ATOM 0 HG2 GLU A 54 -4.319 -16.796 4.249 1.00 31.50 H new ATOM 0 HG3 GLU A 54 -3.076 -17.708 3.417 1.00 31.50 H new ATOM 882 N SER A 55 -0.272 -13.850 4.654 1.00 4.31 N ATOM 883 CA SER A 55 0.318 -12.670 5.271 1.00 22.20 C ATOM 884 C SER A 55 0.166 -11.450 4.368 1.00 51.10 C ATOM 885 O SER A 55 -0.187 -10.360 4.829 1.00 13.30 O ATOM 886 CB SER A 55 1.797 -12.910 5.575 1.00 44.20 C ATOM 887 OG SER A 55 1.959 -13.630 6.783 1.00 71.10 O ATOM 0 H SER A 55 0.384 -14.615 4.496 1.00 4.31 H new ATOM 0 HA SER A 55 -0.211 -12.479 6.205 1.00 22.20 H new ATOM 0 HB2 SER A 55 2.255 -13.463 4.755 1.00 44.20 H new ATOM 0 HB3 SER A 55 2.317 -11.954 5.645 1.00 44.20 H new ATOM 0 HG SER A 55 1.943 -14.592 6.595 1.00 71.10 H new ATOM 893 N ILE A 56 0.437 -11.630 3.081 1.00 20.30 N ATOM 894 CA ILE A 56 0.333 -10.540 2.114 1.00 65.30 C ATOM 895 C ILE A 56 -1.125 -10.170 1.862 1.00 5.14 C ATOM 896 O ILE A 56 -1.471 -8.995 1.802 1.00 2.01 O ATOM 897 CB ILE A 56 0.994 -10.920 0.772 1.00 14.20 C ATOM 898 CG1 ILE A 56 2.410 -11.450 1.004 1.00 22.00 C ATOM 899 CG2 ILE A 56 1.020 -9.721 -0.160 1.00 11.30 C ATOM 900 CD1 ILE A 56 2.830 -12.510 0.005 1.00 60.30 C ATOM 0 H ILE A 56 0.731 -12.521 2.681 1.00 20.30 H new ATOM 0 HA ILE A 56 0.855 -9.683 2.540 1.00 65.30 H new ATOM 0 HB ILE A 56 0.405 -11.709 0.305 1.00 14.20 H new ATOM 0 HG12 ILE A 56 3.113 -10.618 0.957 1.00 22.00 H new ATOM 0 HG13 ILE A 56 2.474 -11.864 2.010 1.00 22.00 H new ATOM 0 HG21 ILE A 56 1.489 -10.003 -1.103 1.00 11.30 H new ATOM 0 HG22 ILE A 56 0.001 -9.384 -0.348 1.00 11.30 H new ATOM 0 HG23 ILE A 56 1.589 -8.914 0.301 1.00 11.30 H new ATOM 0 HD11 ILE A 56 3.844 -12.840 0.230 1.00 60.30 H new ATOM 0 HD12 ILE A 56 2.150 -13.359 0.068 1.00 60.30 H new ATOM 0 HD13 ILE A 56 2.799 -12.094 -1.002 1.00 60.30 H new ATOM 912 N ARG A 57 -1.974 -11.180 1.715 1.00 63.40 N ATOM 913 CA ARG A 57 -3.393 -10.960 1.468 1.00 24.20 C ATOM 914 C ARG A 57 -4.028 -10.160 2.604 1.00 42.40 C ATOM 915 O ARG A 57 -4.836 -9.268 2.369 1.00 22.20 O ATOM 916 CB ARG A 57 -4.118 -12.290 1.300 1.00 22.10 C ATOM 917 CG ARG A 57 -5.290 -12.230 0.333 1.00 33.10 C ATOM 918 CD ARG A 57 -4.880 -12.660 -1.066 1.00 63.20 C ATOM 919 NE ARG A 57 -6.031 -12.800 -1.956 1.00 63.50 N ATOM 920 CZ ARG A 57 -6.653 -11.770 -2.524 1.00 60.40 C ATOM 921 NH1 ARG A 57 -6.242 -10.530 -2.296 1.00 51.10 N ATOM 922 NH2 ARG A 57 -7.692 -11.980 -3.322 1.00 63.10 N ATOM 0 H ARG A 57 -1.703 -12.162 1.763 1.00 63.40 H new ATOM 0 HA ARG A 57 -3.488 -10.386 0.546 1.00 24.20 H new ATOM 0 HB2 ARG A 57 -3.408 -13.039 0.950 1.00 22.10 H new ATOM 0 HB3 ARG A 57 -4.478 -12.623 2.273 1.00 22.10 H new ATOM 0 HG2 ARG A 57 -6.093 -12.874 0.692 1.00 33.10 H new ATOM 0 HG3 ARG A 57 -5.686 -11.215 0.302 1.00 33.10 H new ATOM 0 HD2 ARG A 57 -4.187 -11.928 -1.482 1.00 63.20 H new ATOM 0 HD3 ARG A 57 -4.346 -13.609 -1.012 1.00 63.20 H new ATOM 0 HE ARG A 57 -6.377 -13.739 -2.153 1.00 63.50 H new ATOM 0 HH11 ARG A 57 -5.445 -10.362 -1.682 1.00 51.10 H new ATOM 0 HH12 ARG A 57 -6.723 -9.745 -2.734 1.00 51.10 H new ATOM 0 HH21 ARG A 57 -8.014 -12.931 -3.500 1.00 63.10 H new ATOM 0 HH22 ARG A 57 -8.169 -11.190 -3.757 1.00 63.10 H new ATOM 936 N ALA A 58 -3.659 -10.500 3.835 1.00 54.40 N ATOM 937 CA ALA A 58 -4.194 -9.822 5.007 1.00 14.10 C ATOM 938 C ALA A 58 -3.699 -8.381 5.083 1.00 24.20 C ATOM 939 O ALA A 58 -4.386 -7.505 5.607 1.00 34.30 O ATOM 940 CB ALA A 58 -3.818 -10.570 6.273 1.00 53.40 C ATOM 0 H ALA A 58 -2.991 -11.242 4.045 1.00 54.40 H new ATOM 0 HA ALA A 58 -5.280 -9.806 4.916 1.00 14.10 H new ATOM 0 HB1 ALA A 58 -4.226 -10.049 7.139 1.00 53.40 H new ATOM 0 HB2 ALA A 58 -4.225 -11.581 6.233 1.00 53.40 H new ATOM 0 HB3 ALA A 58 -2.732 -10.619 6.358 1.00 53.40 H new ATOM 946 N LYS A 59 -2.501 -8.143 4.558 1.00 43.20 N ATOM 947 CA LYS A 59 -1.914 -6.808 4.569 1.00 71.40 C ATOM 948 C LYS A 59 -2.597 -5.900 3.550 1.00 50.30 C ATOM 949 O LYS A 59 -2.754 -4.702 3.778 1.00 2.44 O ATOM 950 CB LYS A 59 -0.415 -6.886 4.274 1.00 43.40 C ATOM 951 CG LYS A 59 0.440 -7.080 5.516 1.00 33.20 C ATOM 952 CD LYS A 59 1.889 -7.364 5.155 1.00 42.10 C ATOM 953 CE LYS A 59 2.738 -6.105 5.229 1.00 73.00 C ATOM 954 NZ LYS A 59 4.190 -6.418 5.316 1.00 63.20 N ATOM 0 H LYS A 59 -1.918 -8.857 4.120 1.00 43.20 H new ATOM 0 HA LYS A 59 -2.063 -6.383 5.562 1.00 71.40 H new ATOM 0 HB2 LYS A 59 -0.231 -7.710 3.584 1.00 43.40 H new ATOM 0 HB3 LYS A 59 -0.105 -5.972 3.768 1.00 43.40 H new ATOM 0 HG2 LYS A 59 0.387 -6.187 6.139 1.00 33.20 H new ATOM 0 HG3 LYS A 59 0.043 -7.905 6.107 1.00 33.20 H new ATOM 0 HD2 LYS A 59 2.293 -8.117 5.832 1.00 42.10 H new ATOM 0 HD3 LYS A 59 1.940 -7.780 4.149 1.00 42.10 H new ATOM 0 HE2 LYS A 59 2.552 -5.489 4.349 1.00 73.00 H new ATOM 0 HE3 LYS A 59 2.441 -5.517 6.098 1.00 73.00 H new ATOM 0 HZ1 LYS A 59 4.734 -5.533 5.365 1.00 63.20 H new ATOM 0 HZ2 LYS A 59 4.373 -6.984 6.169 1.00 63.20 H new ATOM 0 HZ3 LYS A 59 4.480 -6.957 4.475 1.00 63.20 H new ATOM 968 N CYS A 60 -2.999 -6.480 2.423 1.00 61.10 N ATOM 969 CA CYS A 60 -3.662 -5.722 1.368 1.00 32.40 C ATOM 970 C CYS A 60 -5.021 -5.207 1.834 1.00 14.10 C ATOM 971 O CYS A 60 -5.404 -4.078 1.533 1.00 74.20 O ATOM 972 CB CYS A 60 -3.835 -6.590 0.120 1.00 44.10 C ATOM 973 SG CYS A 60 -2.449 -6.500 -1.038 1.00 64.40 S ATOM 0 H CYS A 60 -2.877 -7.472 2.217 1.00 61.10 H new ATOM 0 HA CYS A 60 -3.034 -4.865 1.124 1.00 32.40 H new ATOM 0 HB2 CYS A 60 -3.971 -7.627 0.427 1.00 44.10 H new ATOM 0 HB3 CYS A 60 -4.746 -6.288 -0.396 1.00 44.10 H new ATOM 0 HG CYS A 60 -2.466 -7.541 -1.817 1.00 64.40 H new ATOM 979 N VAL A 61 -5.745 -6.044 2.571 1.00 61.20 N ATOM 980 CA VAL A 61 -7.062 -5.673 3.076 1.00 62.50 C ATOM 981 C VAL A 61 -6.970 -4.512 4.060 1.00 41.10 C ATOM 982 O VAL A 61 -7.838 -3.640 4.088 1.00 2.32 O ATOM 983 CB VAL A 61 -7.753 -6.863 3.768 1.00 43.40 C ATOM 984 CG1 VAL A 61 -9.195 -6.519 4.109 1.00 73.40 C ATOM 985 CG2 VAL A 61 -7.686 -8.104 2.892 1.00 12.20 C ATOM 0 H VAL A 61 -5.442 -6.983 2.831 1.00 61.20 H new ATOM 0 HA VAL A 61 -7.655 -5.367 2.214 1.00 62.50 H new ATOM 0 HB VAL A 61 -7.225 -7.075 4.698 1.00 43.40 H new ATOM 0 HG11 VAL A 61 -9.667 -7.372 4.597 1.00 73.40 H new ATOM 0 HG12 VAL A 61 -9.215 -5.660 4.780 1.00 73.40 H new ATOM 0 HG13 VAL A 61 -9.738 -6.278 3.195 1.00 73.40 H new ATOM 0 HG21 VAL A 61 -8.179 -8.934 3.398 1.00 12.20 H new ATOM 0 HG22 VAL A 61 -8.187 -7.908 1.944 1.00 12.20 H new ATOM 0 HG23 VAL A 61 -6.643 -8.361 2.705 1.00 12.20 H new ATOM 995 N GLN A 62 -5.915 -4.507 4.866 1.00 35.00 N ATOM 996 CA GLN A 62 -5.713 -3.453 5.855 1.00 73.30 C ATOM 997 C GLN A 62 -5.308 -2.144 5.183 1.00 12.40 C ATOM 998 O GLN A 62 -5.744 -1.066 5.588 1.00 41.50 O ATOM 999 CB GLN A 62 -4.646 -3.874 6.868 1.00 24.20 C ATOM 1000 CG GLN A 62 -5.073 -3.689 8.314 1.00 71.20 C ATOM 1001 CD GLN A 62 -4.015 -4.149 9.299 1.00 71.30 C ATOM 1002 OE1 GLN A 62 -3.170 -4.981 8.974 1.00 74.30 O ATOM 1003 NE2 GLN A 62 -4.060 -3.608 10.511 1.00 42.20 N ATOM 0 H GLN A 62 -5.186 -5.220 4.855 1.00 35.00 H new ATOM 0 HA GLN A 62 -6.656 -3.293 6.377 1.00 73.30 H new ATOM 0 HB2 GLN A 62 -4.394 -4.922 6.704 1.00 24.20 H new ATOM 0 HB3 GLN A 62 -3.739 -3.296 6.689 1.00 24.20 H new ATOM 0 HG2 GLN A 62 -5.296 -2.637 8.491 1.00 71.20 H new ATOM 0 HG3 GLN A 62 -5.994 -4.244 8.491 1.00 71.20 H new ATOM 0 HE21 GLN A 62 -4.779 -2.921 10.736 1.00 42.20 H new ATOM 0 HE22 GLN A 62 -3.375 -3.880 11.216 1.00 42.20 H new ATOM 1012 N TYR A 63 -4.471 -2.245 4.155 1.00 2.00 N ATOM 1013 CA TYR A 63 -4.006 -1.068 3.429 1.00 42.40 C ATOM 1014 C TYR A 63 -5.130 -0.462 2.593 1.00 64.30 C ATOM 1015 O TYR A 63 -5.284 0.758 2.534 1.00 55.40 O ATOM 1016 CB TYR A 63 -2.825 -1.434 2.527 1.00 51.10 C ATOM 1017 CG TYR A 63 -1.530 -1.644 3.277 1.00 71.10 C ATOM 1018 CD1 TYR A 63 -1.009 -0.646 4.093 1.00 22.10 C ATOM 1019 CD2 TYR A 63 -0.828 -2.837 3.170 1.00 44.20 C ATOM 1020 CE1 TYR A 63 0.176 -0.834 4.780 1.00 31.20 C ATOM 1021 CE2 TYR A 63 0.356 -3.033 3.855 1.00 12.20 C ATOM 1022 CZ TYR A 63 0.853 -2.029 4.658 1.00 23.20 C ATOM 1023 OH TYR A 63 2.032 -2.219 5.341 1.00 40.50 O ATOM 0 H TYR A 63 -4.101 -3.129 3.806 1.00 2.00 H new ATOM 0 HA TYR A 63 -3.682 -0.327 4.160 1.00 42.40 H new ATOM 0 HB2 TYR A 63 -3.068 -2.343 1.977 1.00 51.10 H new ATOM 0 HB3 TYR A 63 -2.684 -0.644 1.790 1.00 51.10 H new ATOM 0 HD1 TYR A 63 -1.538 0.290 4.192 1.00 22.10 H new ATOM 0 HD2 TYR A 63 -1.214 -3.625 2.541 1.00 44.20 H new ATOM 0 HE1 TYR A 63 0.569 -0.049 5.409 1.00 31.20 H new ATOM 0 HE2 TYR A 63 0.889 -3.968 3.762 1.00 12.20 H new ATOM 0 HH TYR A 63 2.381 -3.114 5.148 1.00 40.50 H new ATOM 1033 N LEU A 64 -5.910 -1.321 1.945 1.00 13.40 N ATOM 1034 CA LEU A 64 -7.016 -0.870 1.110 1.00 64.40 C ATOM 1035 C LEU A 64 -8.031 -0.076 1.926 1.00 75.30 C ATOM 1036 O LEU A 64 -8.565 0.931 1.460 1.00 44.20 O ATOM 1037 CB LEU A 64 -7.703 -2.068 0.447 1.00 54.10 C ATOM 1038 CG LEU A 64 -8.180 -1.828 -0.985 1.00 14.10 C ATOM 1039 CD1 LEU A 64 -9.314 -0.814 -1.008 1.00 45.20 C ATOM 1040 CD2 LEU A 64 -7.026 -1.361 -1.859 1.00 33.30 C ATOM 0 H LEU A 64 -5.796 -2.334 1.983 1.00 13.40 H new ATOM 0 HA LEU A 64 -6.610 -0.217 0.338 1.00 64.40 H new ATOM 0 HB2 LEU A 64 -7.011 -2.910 0.447 1.00 54.10 H new ATOM 0 HB3 LEU A 64 -8.559 -2.359 1.055 1.00 54.10 H new ATOM 0 HG LEU A 64 -8.555 -2.770 -1.386 1.00 14.10 H new ATOM 0 HD11 LEU A 64 -9.640 -0.656 -2.036 1.00 45.20 H new ATOM 0 HD12 LEU A 64 -10.149 -1.188 -0.416 1.00 45.20 H new ATOM 0 HD13 LEU A 64 -8.966 0.130 -0.589 1.00 45.20 H new ATOM 0 HD21 LEU A 64 -7.383 -1.195 -2.875 1.00 33.30 H new ATOM 0 HD22 LEU A 64 -6.621 -0.431 -1.460 1.00 33.30 H new ATOM 0 HD23 LEU A 64 -6.246 -2.122 -1.869 1.00 33.30 H new ATOM 1052 N ASP A 65 -8.295 -0.534 3.146 1.00 72.10 N ATOM 1053 CA ASP A 65 -9.249 0.135 4.024 1.00 31.20 C ATOM 1054 C ASP A 65 -8.708 1.482 4.494 1.00 4.42 C ATOM 1055 O ASP A 65 -9.464 2.438 4.671 1.00 2.45 O ATOM 1056 CB ASP A 65 -9.569 -0.750 5.230 1.00 42.50 C ATOM 1057 CG ASP A 65 -11.030 -0.712 5.600 1.00 72.40 C ATOM 1058 OD1 ASP A 65 -11.430 0.199 6.354 1.00 22.30 O ATOM 1059 OD2 ASP A 65 -11.790 -1.595 5.135 1.00 22.10 O ATOM 0 H ASP A 65 -7.862 -1.365 3.549 1.00 72.10 H new ATOM 0 HA ASP A 65 -10.164 0.312 3.458 1.00 31.20 H new ATOM 0 HB2 ASP A 65 -9.279 -1.778 5.010 1.00 42.50 H new ATOM 0 HB3 ASP A 65 -8.973 -0.426 6.083 1.00 42.50 H new ATOM 1064 N ARG A 66 -7.397 1.551 4.696 1.00 3.14 N ATOM 1065 CA ARG A 66 -6.757 2.781 5.147 1.00 73.10 C ATOM 1066 C ARG A 66 -6.855 3.870 4.084 1.00 20.20 C ATOM 1067 O ARG A 66 -7.225 5.007 4.378 1.00 53.30 O ATOM 1068 CB ARG A 66 -5.289 2.520 5.490 1.00 1.13 C ATOM 1069 CG ARG A 66 -5.075 2.023 6.912 1.00 72.50 C ATOM 1070 CD ARG A 66 -4.394 3.073 7.775 1.00 43.30 C ATOM 1071 NE ARG A 66 -5.351 4.014 8.353 1.00 62.20 N ATOM 1072 CZ ARG A 66 -5.060 4.854 9.342 1.00 10.10 C ATOM 1073 NH1 ARG A 66 -3.841 4.875 9.868 1.00 22.40 N ATOM 1074 NH2 ARG A 66 -5.990 5.678 9.808 1.00 51.50 N ATOM 0 H ARG A 66 -6.757 0.770 4.555 1.00 3.14 H new ATOM 0 HA ARG A 66 -7.278 3.124 6.041 1.00 73.10 H new ATOM 0 HB2 ARG A 66 -4.887 1.785 4.793 1.00 1.13 H new ATOM 0 HB3 ARG A 66 -4.722 3.440 5.346 1.00 1.13 H new ATOM 0 HG2 ARG A 66 -6.035 1.756 7.353 1.00 72.50 H new ATOM 0 HG3 ARG A 66 -4.469 1.117 6.894 1.00 72.50 H new ATOM 0 HD2 ARG A 66 -3.841 2.581 8.575 1.00 43.30 H new ATOM 0 HD3 ARG A 66 -3.667 3.619 7.174 1.00 43.30 H new ATOM 0 HE ARG A 66 -6.298 4.027 7.975 1.00 62.20 H new ATOM 0 HH11 ARG A 66 -3.122 4.245 9.514 1.00 22.40 H new ATOM 0 HH12 ARG A 66 -3.624 5.522 10.626 1.00 22.40 H new ATOM 0 HH21 ARG A 66 -6.928 5.667 9.408 1.00 51.50 H new ATOM 0 HH22 ARG A 66 -5.767 6.322 10.567 1.00 51.50 H new ATOM 1088 N ALA A 67 -6.523 3.515 2.847 1.00 31.10 N ATOM 1089 CA ALA A 67 -6.573 4.462 1.740 1.00 15.40 C ATOM 1090 C ALA A 67 -7.985 5.004 1.540 1.00 51.30 C ATOM 1091 O ALA A 67 -8.168 6.135 1.092 1.00 75.00 O ATOM 1092 CB ALA A 67 -6.074 3.804 0.463 1.00 3.22 C ATOM 0 H ALA A 67 -6.216 2.578 2.586 1.00 31.10 H new ATOM 0 HA ALA A 67 -5.923 5.302 1.984 1.00 15.40 H new ATOM 0 HB1 ALA A 67 -6.116 4.521 -0.356 1.00 3.22 H new ATOM 0 HB2 ALA A 67 -5.045 3.473 0.603 1.00 3.22 H new ATOM 0 HB3 ALA A 67 -6.703 2.946 0.226 1.00 3.22 H new ATOM 1098 N GLU A 68 -8.980 4.189 1.873 1.00 61.00 N ATOM 1099 CA GLU A 68 -10.370 4.586 1.727 1.00 71.40 C ATOM 1100 C GLU A 68 -10.710 5.752 2.652 1.00 62.20 C ATOM 1101 O GLU A 68 -11.370 6.707 2.246 1.00 63.30 O ATOM 1102 CB GLU A 68 -11.290 3.400 2.023 1.00 14.40 C ATOM 1103 CG GLU A 68 -12.450 3.267 1.042 1.00 13.20 C ATOM 1104 CD GLU A 68 -12.260 2.116 0.072 1.00 44.50 C ATOM 1105 OE1 GLU A 68 -11.530 2.295 -0.927 1.00 11.30 O ATOM 1106 OE2 GLU A 68 -12.840 1.036 0.314 1.00 50.20 O ATOM 0 H GLU A 68 -8.847 3.249 2.246 1.00 61.00 H new ATOM 0 HA GLU A 68 -10.522 4.912 0.698 1.00 71.40 H new ATOM 0 HB2 GLU A 68 -10.703 2.482 2.005 1.00 14.40 H new ATOM 0 HB3 GLU A 68 -11.689 3.503 3.032 1.00 14.40 H new ATOM 0 HG2 GLU A 68 -13.377 3.121 1.597 1.00 13.20 H new ATOM 0 HG3 GLU A 68 -12.557 4.196 0.482 1.00 13.20 H new ATOM 1113 N LYS A 69 -10.250 5.665 3.897 1.00 50.20 N ATOM 1114 CA LYS A 69 -10.510 6.712 4.880 1.00 21.20 C ATOM 1115 C LYS A 69 -9.746 7.985 4.540 1.00 54.10 C ATOM 1116 O LYS A 69 -10.180 9.091 4.856 1.00 54.40 O ATOM 1117 CB LYS A 69 -10.130 6.229 6.281 1.00 1.31 C ATOM 1118 CG LYS A 69 -11.170 6.551 7.341 1.00 50.50 C ATOM 1119 CD LYS A 69 -11.280 5.440 8.373 1.00 73.10 C ATOM 1120 CE LYS A 69 -12.630 5.447 9.058 1.00 50.30 C ATOM 1121 NZ LYS A 69 -13.560 4.435 8.475 1.00 42.10 N ATOM 0 H LYS A 69 -9.697 4.883 4.248 1.00 50.20 H new ATOM 0 HA LYS A 69 -11.576 6.939 4.858 1.00 21.20 H new ATOM 0 HB2 LYS A 69 -9.974 5.151 6.254 1.00 1.31 H new ATOM 0 HB3 LYS A 69 -9.181 6.682 6.567 1.00 1.31 H new ATOM 0 HG2 LYS A 69 -10.907 7.485 7.838 1.00 50.50 H new ATOM 0 HG3 LYS A 69 -12.139 6.704 6.866 1.00 50.50 H new ATOM 0 HD2 LYS A 69 -11.122 4.476 7.889 1.00 73.10 H new ATOM 0 HD3 LYS A 69 -10.493 5.555 9.118 1.00 73.10 H new ATOM 0 HE2 LYS A 69 -12.498 5.247 10.121 1.00 50.30 H new ATOM 0 HE3 LYS A 69 -13.074 6.439 8.973 1.00 50.30 H new ATOM 0 HZ1 LYS A 69 -14.472 4.474 8.973 1.00 42.10 H new ATOM 0 HZ2 LYS A 69 -13.708 4.640 7.466 1.00 42.10 H new ATOM 0 HZ3 LYS A 69 -13.149 3.485 8.579 1.00 42.10 H new ATOM 1135 N LEU A 70 -8.595 7.824 3.896 1.00 32.50 N ATOM 1136 CA LEU A 70 -7.766 8.963 3.515 1.00 72.50 C ATOM 1137 C LEU A 70 -8.472 9.831 2.478 1.00 54.10 C ATOM 1138 O LEU A 70 -8.423 11.059 2.545 1.00 71.30 O ATOM 1139 CB LEU A 70 -6.423 8.481 2.962 1.00 31.20 C ATOM 1140 CG LEU A 70 -5.548 7.717 3.958 1.00 70.50 C ATOM 1141 CD1 LEU A 70 -4.425 6.992 3.234 1.00 41.50 C ATOM 1142 CD2 LEU A 70 -4.984 8.665 5.005 1.00 72.30 C ATOM 0 H LEU A 70 -8.215 6.917 3.627 1.00 32.50 H new ATOM 0 HA LEU A 70 -7.591 9.565 4.407 1.00 72.50 H new ATOM 0 HB2 LEU A 70 -6.611 7.840 2.101 1.00 31.20 H new ATOM 0 HB3 LEU A 70 -5.865 9.345 2.600 1.00 31.20 H new ATOM 0 HG LEU A 70 -6.166 6.975 4.463 1.00 70.50 H new ATOM 0 HD11 LEU A 70 -3.813 6.454 3.958 1.00 41.50 H new ATOM 0 HD12 LEU A 70 -4.849 6.285 2.521 1.00 41.50 H new ATOM 0 HD13 LEU A 70 -3.807 7.716 2.703 1.00 41.50 H new ATOM 0 HD21 LEU A 70 -4.364 8.106 5.706 1.00 72.30 H new ATOM 0 HD22 LEU A 70 -4.380 9.429 4.516 1.00 72.30 H new ATOM 0 HD23 LEU A 70 -5.803 9.140 5.545 1.00 72.30 H new ATOM 1154 N LYS A 71 -9.125 9.186 1.518 1.00 63.10 N ATOM 1155 CA LYS A 71 -9.837 9.898 0.464 1.00 62.30 C ATOM 1156 C LYS A 71 -11.060 10.620 1.019 1.00 11.20 C ATOM 1157 O LYS A 71 -11.320 11.771 0.671 1.00 0.30 O ATOM 1158 CB LYS A 71 -10.260 8.926 -0.638 1.00 60.40 C ATOM 1159 CG LYS A 71 -10.260 9.543 -2.028 1.00 14.40 C ATOM 1160 CD LYS A 71 -11.460 9.088 -2.840 1.00 44.10 C ATOM 1161 CE LYS A 71 -11.080 8.766 -4.275 1.00 54.30 C ATOM 1162 NZ LYS A 71 -12.200 8.151 -5.028 1.00 43.20 N ATOM 0 H LYS A 71 -9.176 8.170 1.448 1.00 63.10 H new ATOM 0 HA LYS A 71 -9.161 10.643 0.044 1.00 62.30 H new ATOM 0 HB2 LYS A 71 -9.588 8.067 -0.631 1.00 60.40 H new ATOM 0 HB3 LYS A 71 -11.259 8.551 -0.416 1.00 60.40 H new ATOM 0 HG2 LYS A 71 -10.267 10.630 -1.945 1.00 14.40 H new ATOM 0 HG3 LYS A 71 -9.342 9.269 -2.549 1.00 14.40 H new ATOM 0 HD2 LYS A 71 -11.901 8.207 -2.374 1.00 44.10 H new ATOM 0 HD3 LYS A 71 -12.221 9.868 -2.832 1.00 44.10 H new ATOM 0 HE2 LYS A 71 -10.764 9.680 -4.779 1.00 54.30 H new ATOM 0 HE3 LYS A 71 -10.226 8.088 -4.279 1.00 54.30 H new ATOM 0 HZ1 LYS A 71 -11.820 7.551 -5.787 1.00 43.20 H new ATOM 0 HZ2 LYS A 71 -12.775 7.571 -4.384 1.00 43.20 H new ATOM 0 HZ3 LYS A 71 -12.792 8.899 -5.442 1.00 43.20 H new ATOM 1176 N ASP A 72 -11.800 9.937 1.880 1.00 43.00 N ATOM 1177 CA ASP A 72 -13.000 10.514 2.480 1.00 23.20 C ATOM 1178 C ASP A 72 -12.640 11.656 3.429 1.00 13.30 C ATOM 1179 O ASP A 72 -13.430 12.583 3.621 1.00 22.30 O ATOM 1180 CB ASP A 72 -13.790 9.436 3.229 1.00 62.20 C ATOM 1181 CG ASP A 72 -15.220 9.313 2.729 1.00 1.33 C ATOM 1182 OD1 ASP A 72 -15.410 9.286 1.497 1.00 72.00 O ATOM 1183 OD2 ASP A 72 -16.130 9.241 3.571 1.00 34.20 O ATOM 0 H ASP A 72 -11.594 8.984 2.180 1.00 43.00 H new ATOM 0 HA ASP A 72 -13.620 10.916 1.679 1.00 23.20 H new ATOM 0 HB2 ASP A 72 -13.285 8.476 3.118 1.00 62.20 H new ATOM 0 HB3 ASP A 72 -13.799 9.670 4.294 1.00 62.20 H new ATOM 1188 N TYR A 73 -11.460 11.578 4.022 1.00 41.20 N ATOM 1189 CA TYR A 73 -11.000 12.603 4.954 1.00 33.10 C ATOM 1190 C TYR A 73 -10.720 13.917 4.232 1.00 40.10 C ATOM 1191 O TYR A 73 -11.180 14.977 4.647 1.00 62.10 O ATOM 1192 CB TYR A 73 -9.747 12.131 5.686 1.00 61.40 C ATOM 1193 CG TYR A 73 -9.248 13.108 6.726 1.00 10.40 C ATOM 1194 CD1 TYR A 73 -8.508 14.224 6.357 1.00 31.20 C ATOM 1195 CD2 TYR A 73 -9.519 12.916 8.075 1.00 33.20 C ATOM 1196 CE1 TYR A 73 -8.051 15.121 7.305 1.00 14.40 C ATOM 1197 CE2 TYR A 73 -9.066 13.809 9.027 1.00 4.55 C ATOM 1198 CZ TYR A 73 -8.333 14.908 8.638 1.00 60.10 C ATOM 1199 OH TYR A 73 -7.879 15.799 9.583 1.00 32.10 O ATOM 0 H TYR A 73 -10.799 10.815 3.876 1.00 41.20 H new ATOM 0 HA TYR A 73 -11.793 12.776 5.681 1.00 33.10 H new ATOM 0 HB2 TYR A 73 -9.956 11.176 6.168 1.00 61.40 H new ATOM 0 HB3 TYR A 73 -8.956 11.954 4.957 1.00 61.40 H new ATOM 0 HD1 TYR A 73 -8.286 14.394 5.314 1.00 31.20 H new ATOM 0 HD2 TYR A 73 -10.093 12.055 8.384 1.00 33.20 H new ATOM 0 HE1 TYR A 73 -7.476 15.984 7.003 1.00 14.40 H new ATOM 0 HE2 TYR A 73 -9.286 13.646 10.072 1.00 4.55 H new ATOM 0 HH TYR A 73 -8.164 15.505 10.473 1.00 32.10 H new ATOM 1209 N LEU A 74 -9.948 13.842 3.153 1.00 31.10 N ATOM 1210 CA LEU A 74 -9.599 15.028 2.380 1.00 1.12 C ATOM 1211 C LEU A 74 -10.800 15.544 1.595 1.00 11.30 C ATOM 1212 O LEU A 74 -10.920 16.743 1.341 1.00 22.30 O ATOM 1213 CB LEU A 74 -8.445 14.721 1.424 1.00 60.10 C ATOM 1214 CG LEU A 74 -8.694 13.565 0.455 1.00 41.20 C ATOM 1215 CD1 LEU A 74 -9.292 14.078 -0.845 1.00 63.40 C ATOM 1216 CD2 LEU A 74 -7.402 12.807 0.186 1.00 34.30 C ATOM 0 H LEU A 74 -9.552 12.973 2.794 1.00 31.10 H new ATOM 0 HA LEU A 74 -9.286 15.803 3.079 1.00 1.12 H new ATOM 0 HB2 LEU A 74 -8.225 15.618 0.846 1.00 60.10 H new ATOM 0 HB3 LEU A 74 -7.556 14.495 2.013 1.00 60.10 H new ATOM 0 HG LEU A 74 -9.406 12.879 0.914 1.00 41.20 H new ATOM 0 HD11 LEU A 74 -9.462 13.241 -1.522 1.00 63.40 H new ATOM 0 HD12 LEU A 74 -10.239 14.576 -0.638 1.00 63.40 H new ATOM 0 HD13 LEU A 74 -8.604 14.785 -1.308 1.00 63.40 H new ATOM 0 HD21 LEU A 74 -7.598 11.988 -0.506 1.00 34.30 H new ATOM 0 HD22 LEU A 74 -6.668 13.483 -0.251 1.00 34.30 H new ATOM 0 HD23 LEU A 74 -7.014 12.406 1.122 1.00 34.30 H new ATOM 1228 N ARG A 75 -11.690 14.634 1.212 1.00 3.33 N ATOM 1229 CA ARG A 75 -12.880 15.002 0.457 1.00 63.10 C ATOM 1230 C ARG A 75 -13.850 15.795 1.327 1.00 43.40 C ATOM 1231 O ARG A 75 -14.250 16.902 0.971 1.00 11.40 O ATOM 1232 CB ARG A 75 -13.570 13.751 -0.091 1.00 53.30 C ATOM 1233 CG ARG A 75 -13.270 13.487 -1.559 1.00 35.30 C ATOM 1234 CD ARG A 75 -14.530 13.121 -2.329 1.00 11.00 C ATOM 1235 NE ARG A 75 -14.250 12.186 -3.417 1.00 42.10 N ATOM 1236 CZ ARG A 75 -15.190 11.454 -4.018 1.00 33.30 C ATOM 1237 NH1 ARG A 75 -16.460 11.543 -3.639 1.00 23.10 N ATOM 1238 NH2 ARG A 75 -14.850 10.628 -5.000 1.00 42.10 N ATOM 0 H ARG A 75 -11.609 13.637 1.412 1.00 3.33 H new ATOM 0 HA ARG A 75 -12.572 15.631 -0.378 1.00 63.10 H new ATOM 0 HB2 ARG A 75 -13.259 12.887 0.496 1.00 53.30 H new ATOM 0 HB3 ARG A 75 -14.647 13.853 0.039 1.00 53.30 H new ATOM 0 HG2 ARG A 75 -12.815 14.372 -2.003 1.00 35.30 H new ATOM 0 HG3 ARG A 75 -12.543 12.679 -1.643 1.00 35.30 H new ATOM 0 HD2 ARG A 75 -15.257 12.678 -1.648 1.00 11.00 H new ATOM 0 HD3 ARG A 75 -14.983 14.025 -2.735 1.00 11.00 H new ATOM 0 HE ARG A 75 -13.285 12.088 -3.734 1.00 42.10 H new ATOM 0 HH11 ARG A 75 -16.723 12.175 -2.883 1.00 23.10 H new ATOM 0 HH12 ARG A 75 -17.172 10.980 -4.104 1.00 23.10 H new ATOM 0 HH21 ARG A 75 -13.875 10.556 -5.291 1.00 42.10 H new ATOM 0 HH22 ARG A 75 -15.564 10.066 -5.464 1.00 42.10 H new ATOM 1252 N SER A 76 -14.220 15.220 2.466 1.00 33.20 N ATOM 1253 CA SER A 76 -15.140 15.872 3.387 1.00 75.40 C ATOM 1254 C SER A 76 -14.600 17.227 3.837 1.00 53.10 C ATOM 1255 O SER A 76 -15.250 18.257 3.646 1.00 23.40 O ATOM 1256 CB SER A 76 -15.400 14.981 4.604 1.00 3.24 C ATOM 1257 OG SER A 76 -16.680 15.214 5.150 1.00 41.40 O ATOM 0 H SER A 76 -13.896 14.303 2.773 1.00 33.20 H new ATOM 0 HA SER A 76 -16.080 16.036 2.860 1.00 75.40 H new ATOM 0 HB2 SER A 76 -15.311 13.934 4.315 1.00 3.24 H new ATOM 0 HB3 SER A 76 -14.640 15.168 5.363 1.00 3.24 H new ATOM 0 HG SER A 76 -16.817 14.629 5.924 1.00 41.40 H new