USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 873 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 106 THR OG1 : rot 180:sc= -0.179 USER MOD Set 1.2: A 111 HIS : no HE2:sc= -1.11 X(o=-1.3,f=-1.6) USER MOD Set 2.1: A 65 SER OG : rot 22:sc= 2.22 USER MOD Set 2.2: A 69 SER OG : rot 111:sc= 0.455 USER MOD Set 3.1: A 20 GLN : amide:sc= -1.49! C(o=-1.3!,f=-3.4!) USER MOD Set 3.2: A 35 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 11 CYS SG : rot -140:sc= -3.04! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -2.58! K(o=-2.6!,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= -0.0164 (180deg=-0.212) USER MOD Single : A 18 HIS : no HE2:sc= -1.45! C(o=-1.5!,f=-4.9!) USER MOD Single : A 19 SER OG : rot -40:sc= 0.267 USER MOD Single : A 21 SER OG : rot 90:sc= 0.521 USER MOD Single : A 25 SER OG : rot 87:sc= 1.23 USER MOD Single : A 26 SER OG : rot -170:sc= 1.25 USER MOD Single : A 29 GLN : amide:sc= -0.376 K(o=-0.38,f=-0.94) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0849 K(o=-0.085,f=-1.1) USER MOD Single : A 46 TYR OH : rot -23:sc= -0.55 USER MOD Single : A 48 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.19) USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= -0.0278 (180deg=-0.217) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -80:sc= 1.1 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 68 SER OG : rot -36:sc= 0.0452 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 46:sc= 1.15 USER MOD Single : A 83 GLN : amide:sc= -0.795 K(o=-0.8,f=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.865 K(o=-0.86,f=-0.038) USER MOD Single : A 86 LYS NZ :NH3+ 176:sc= 0.849 (180deg=0.824) USER MOD Single : A 92 SER OG : rot -9:sc= 1.24 USER MOD Single : A 97 THR OG1 : rot -80:sc= 1.29 USER MOD Single : A 100 MET CE :methyl 172:sc= -0.959 (180deg=-1.5) USER MOD Single : A 101 SER OG : rot 171:sc= -0.62 USER MOD Single : A 108 SER OG : rot 10:sc= 0.889 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0282 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 6.426 19.258 0.667 1.00 43.11 N ATOM 72 CA PRO A 6 5.138 19.673 1.234 1.00 2.43 C ATOM 73 C PRO A 6 4.928 19.135 2.644 1.00 53.13 C ATOM 74 O PRO A 6 5.438 18.064 2.999 1.00 11.22 O ATOM 75 CB PRO A 6 4.104 19.064 0.278 1.00 13.04 C ATOM 76 CG PRO A 6 4.849 18.827 -0.987 1.00 35.44 C ATOM 77 CD PRO A 6 6.253 18.495 -0.580 1.00 55.24 C ATOM 0 HA PRO A 6 5.069 20.757 1.322 1.00 2.43 H new ATOM 0 HB2 PRO A 6 3.696 18.135 0.677 1.00 13.04 H new ATOM 0 HB3 PRO A 6 3.264 19.740 0.121 1.00 13.04 H new ATOM 0 HG2 PRO A 6 4.404 18.011 -1.556 1.00 35.44 H new ATOM 0 HG3 PRO A 6 4.826 19.710 -1.626 1.00 35.44 H new ATOM 0 HD2 PRO A 6 6.384 17.425 -0.420 1.00 55.24 H new ATOM 0 HD3 PRO A 6 6.975 18.794 -1.340 1.00 55.24 H new ATOM 85 N ALA A 7 4.180 19.878 3.441 1.00 53.22 N ATOM 86 CA ALA A 7 3.892 19.481 4.804 1.00 64.15 C ATOM 87 C ALA A 7 2.799 18.433 4.821 1.00 55.43 C ATOM 88 O ALA A 7 2.719 17.614 5.737 1.00 30.35 O ATOM 89 CB ALA A 7 3.483 20.689 5.632 1.00 33.21 C ATOM 0 H ALA A 7 3.760 20.765 3.163 1.00 53.22 H new ATOM 0 HA ALA A 7 4.793 19.053 5.242 1.00 64.15 H new ATOM 0 HB1 ALA A 7 3.270 20.375 6.654 1.00 33.21 H new ATOM 0 HB2 ALA A 7 4.294 21.417 5.638 1.00 33.21 H new ATOM 0 HB3 ALA A 7 2.592 21.142 5.198 1.00 33.21 H new ATOM 95 N ARG A 8 1.958 18.468 3.802 1.00 14.42 N ATOM 96 CA ARG A 8 0.875 17.518 3.659 1.00 25.35 C ATOM 97 C ARG A 8 0.935 16.847 2.300 1.00 50.34 C ATOM 98 O ARG A 8 1.012 17.515 1.269 1.00 51.42 O ATOM 99 CB ARG A 8 -0.480 18.203 3.814 1.00 30.02 C ATOM 100 CG ARG A 8 -0.786 18.705 5.209 1.00 71.23 C ATOM 101 CD ARG A 8 -2.168 19.330 5.253 1.00 62.02 C ATOM 102 NE ARG A 8 -2.566 19.715 6.603 1.00 3.42 N ATOM 103 CZ ARG A 8 -3.773 20.183 6.918 1.00 32.23 C ATOM 104 NH1 ARG A 8 -4.696 20.335 5.975 1.00 11.12 N ATOM 105 NH2 ARG A 8 -4.055 20.506 8.173 1.00 53.25 N ATOM 0 H ARG A 8 2.009 19.157 3.052 1.00 14.42 H new ATOM 0 HA ARG A 8 0.988 16.770 4.444 1.00 25.35 H new ATOM 0 HB2 ARG A 8 -0.526 19.045 3.123 1.00 30.02 H new ATOM 0 HB3 ARG A 8 -1.261 17.503 3.516 1.00 30.02 H new ATOM 0 HG2 ARG A 8 -0.730 17.881 5.920 1.00 71.23 H new ATOM 0 HG3 ARG A 8 -0.038 19.438 5.511 1.00 71.23 H new ATOM 0 HD2 ARG A 8 -2.186 20.209 4.608 1.00 62.02 H new ATOM 0 HD3 ARG A 8 -2.895 18.624 4.851 1.00 62.02 H new ATOM 0 HE ARG A 8 -1.879 19.620 7.351 1.00 3.42 H new ATOM 0 HH11 ARG A 8 -4.481 20.093 5.008 1.00 11.12 H new ATOM 0 HH12 ARG A 8 -5.619 20.693 6.218 1.00 11.12 H new ATOM 0 HH21 ARG A 8 -3.347 20.396 8.899 1.00 53.25 H new ATOM 0 HH22 ARG A 8 -4.980 20.864 8.412 1.00 53.25 H new ATOM 119 N VAL A 9 0.904 15.537 2.301 1.00 24.41 N ATOM 120 CA VAL A 9 0.902 14.780 1.067 1.00 53.34 C ATOM 121 C VAL A 9 -0.296 13.851 1.033 1.00 33.23 C ATOM 122 O VAL A 9 -0.727 13.341 2.074 1.00 22.24 O ATOM 123 CB VAL A 9 2.205 13.956 0.877 1.00 55.42 C ATOM 124 CG1 VAL A 9 3.411 14.876 0.761 1.00 31.42 C ATOM 125 CG2 VAL A 9 2.398 12.966 2.019 1.00 55.42 C ATOM 0 H VAL A 9 0.880 14.967 3.147 1.00 24.41 H new ATOM 0 HA VAL A 9 0.844 15.497 0.248 1.00 53.34 H new ATOM 0 HB VAL A 9 2.111 13.390 -0.050 1.00 55.42 H new ATOM 0 HG11 VAL A 9 4.313 14.279 0.629 1.00 31.42 H new ATOM 0 HG12 VAL A 9 3.284 15.536 -0.097 1.00 31.42 H new ATOM 0 HG13 VAL A 9 3.502 15.473 1.668 1.00 31.42 H new ATOM 0 HG21 VAL A 9 3.318 12.403 1.861 1.00 55.42 H new ATOM 0 HG22 VAL A 9 2.462 13.507 2.963 1.00 55.42 H new ATOM 0 HG23 VAL A 9 1.552 12.279 2.052 1.00 55.42 H new ATOM 135 N ARG A 10 -0.857 13.658 -0.140 1.00 62.10 N ATOM 136 CA ARG A 10 -1.985 12.771 -0.287 1.00 3.44 C ATOM 137 C ARG A 10 -1.523 11.462 -0.885 1.00 34.23 C ATOM 138 O ARG A 10 -1.198 11.391 -2.072 1.00 34.11 O ATOM 139 CB ARG A 10 -3.061 13.397 -1.163 1.00 55.12 C ATOM 140 CG ARG A 10 -4.324 12.569 -1.247 1.00 44.11 C ATOM 141 CD ARG A 10 -5.377 13.233 -2.112 1.00 0.34 C ATOM 142 NE ARG A 10 -6.580 12.412 -2.203 1.00 63.41 N ATOM 143 CZ ARG A 10 -7.649 12.709 -2.943 1.00 54.42 C ATOM 144 NH1 ARG A 10 -7.683 13.827 -3.657 1.00 54.41 N ATOM 145 NH2 ARG A 10 -8.692 11.889 -2.959 1.00 13.22 N ATOM 0 H ARG A 10 -0.549 14.104 -1.004 1.00 62.10 H new ATOM 0 HA ARG A 10 -2.416 12.590 0.697 1.00 3.44 H new ATOM 0 HB2 ARG A 10 -3.308 14.384 -0.773 1.00 55.12 H new ATOM 0 HB3 ARG A 10 -2.663 13.542 -2.167 1.00 55.12 H new ATOM 0 HG2 ARG A 10 -4.087 11.586 -1.653 1.00 44.11 H new ATOM 0 HG3 ARG A 10 -4.723 12.412 -0.245 1.00 44.11 H new ATOM 0 HD2 ARG A 10 -5.630 14.209 -1.697 1.00 0.34 H new ATOM 0 HD3 ARG A 10 -4.975 13.406 -3.110 1.00 0.34 H new ATOM 0 HE ARG A 10 -6.605 11.548 -1.661 1.00 63.41 H new ATOM 0 HH11 ARG A 10 -6.888 14.466 -3.642 1.00 54.41 H new ATOM 0 HH12 ARG A 10 -8.504 14.047 -4.221 1.00 54.41 H new ATOM 0 HH21 ARG A 10 -8.676 11.032 -2.406 1.00 13.22 H new ATOM 0 HH22 ARG A 10 -9.510 12.115 -3.525 1.00 13.22 H new ATOM 159 N CYS A 11 -1.483 10.435 -0.072 1.00 24.10 N ATOM 160 CA CYS A 11 -1.007 9.153 -0.525 1.00 12.30 C ATOM 161 C CYS A 11 -2.038 8.064 -0.312 1.00 75.35 C ATOM 162 O CYS A 11 -2.746 8.044 0.699 1.00 52.25 O ATOM 163 CB CYS A 11 0.297 8.790 0.185 1.00 10.31 C ATOM 164 SG CYS A 11 1.610 10.016 -0.015 1.00 11.41 S ATOM 0 H CYS A 11 -1.774 10.462 0.905 1.00 24.10 H new ATOM 0 HA CYS A 11 -0.823 9.231 -1.597 1.00 12.30 H new ATOM 0 HB2 CYS A 11 0.095 8.659 1.248 1.00 10.31 H new ATOM 0 HB3 CYS A 11 0.650 7.830 -0.193 1.00 10.31 H new ATOM 0 HG CYS A 11 2.747 9.410 -0.185 1.00 11.41 H new ATOM 170 N SER A 12 -2.133 7.182 -1.279 1.00 5.33 N ATOM 171 CA SER A 12 -3.001 6.044 -1.202 1.00 74.24 C ATOM 172 C SER A 12 -2.177 4.824 -0.796 1.00 3.43 C ATOM 173 O SER A 12 -1.045 4.655 -1.257 1.00 23.22 O ATOM 174 CB SER A 12 -3.681 5.816 -2.550 1.00 43.32 C ATOM 175 OG SER A 12 -4.329 7.000 -2.987 1.00 33.34 O ATOM 0 H SER A 12 -1.602 7.240 -2.148 1.00 5.33 H new ATOM 0 HA SER A 12 -3.778 6.215 -0.457 1.00 74.24 H new ATOM 0 HB2 SER A 12 -2.942 5.505 -3.289 1.00 43.32 H new ATOM 0 HB3 SER A 12 -4.407 5.007 -2.465 1.00 43.32 H new ATOM 0 HG SER A 12 -4.758 6.837 -3.853 1.00 33.34 H new ATOM 181 N HIS A 13 -2.724 3.995 0.073 1.00 4.21 N ATOM 182 CA HIS A 13 -1.990 2.842 0.569 1.00 21.13 C ATOM 183 C HIS A 13 -2.722 1.534 0.304 1.00 51.31 C ATOM 184 O HIS A 13 -3.936 1.442 0.472 1.00 14.04 O ATOM 185 CB HIS A 13 -1.690 2.986 2.081 1.00 11.32 C ATOM 186 CG HIS A 13 -2.891 2.844 2.994 1.00 65.01 C ATOM 187 ND1 HIS A 13 -2.904 2.023 4.098 1.00 23.23 N ATOM 188 CD2 HIS A 13 -4.109 3.435 2.963 1.00 44.22 C ATOM 189 CE1 HIS A 13 -4.071 2.113 4.701 1.00 30.03 C ATOM 190 NE2 HIS A 13 -4.819 2.963 4.035 1.00 71.54 N ATOM 0 H HIS A 13 -3.667 4.095 0.449 1.00 4.21 H new ATOM 0 HA HIS A 13 -1.049 2.810 0.021 1.00 21.13 H new ATOM 0 HB2 HIS A 13 -0.950 2.236 2.361 1.00 11.32 H new ATOM 0 HB3 HIS A 13 -1.236 3.962 2.254 1.00 11.32 H new ATOM 0 HD2 HIS A 13 -4.456 4.147 2.229 1.00 44.22 H new ATOM 0 HE1 HIS A 13 -4.364 1.578 5.593 1.00 30.03 H new ATOM 0 HE2 HIS A 13 -5.774 3.228 4.277 1.00 71.54 H new ATOM 199 N LEU A 14 -1.974 0.542 -0.119 1.00 31.03 N ATOM 200 CA LEU A 14 -2.498 -0.794 -0.329 1.00 73.34 C ATOM 201 C LEU A 14 -1.713 -1.748 0.563 1.00 23.31 C ATOM 202 O LEU A 14 -0.488 -1.782 0.501 1.00 71.23 O ATOM 203 CB LEU A 14 -2.367 -1.193 -1.818 1.00 53.33 C ATOM 204 CG LEU A 14 -3.160 -2.434 -2.286 1.00 53.44 C ATOM 205 CD1 LEU A 14 -3.258 -2.452 -3.803 1.00 14.22 C ATOM 206 CD2 LEU A 14 -2.512 -3.723 -1.796 1.00 11.13 C ATOM 0 H LEU A 14 -0.980 0.636 -0.329 1.00 31.03 H new ATOM 0 HA LEU A 14 -3.557 -0.835 -0.073 1.00 73.34 H new ATOM 0 HB2 LEU A 14 -2.679 -0.343 -2.425 1.00 53.33 H new ATOM 0 HB3 LEU A 14 -1.312 -1.366 -2.031 1.00 53.33 H new ATOM 0 HG LEU A 14 -4.161 -2.371 -1.858 1.00 53.44 H new ATOM 0 HD11 LEU A 14 -3.819 -3.331 -4.121 1.00 14.22 H new ATOM 0 HD12 LEU A 14 -3.769 -1.552 -4.145 1.00 14.22 H new ATOM 0 HD13 LEU A 14 -2.257 -2.486 -4.232 1.00 14.22 H new ATOM 0 HD21 LEU A 14 -3.094 -4.577 -2.142 1.00 11.13 H new ATOM 0 HD22 LEU A 14 -1.497 -3.792 -2.188 1.00 11.13 H new ATOM 0 HD23 LEU A 14 -2.480 -3.723 -0.706 1.00 11.13 H new ATOM 218 N LEU A 15 -2.403 -2.485 1.409 1.00 60.14 N ATOM 219 CA LEU A 15 -1.737 -3.399 2.322 1.00 4.42 C ATOM 220 C LEU A 15 -2.145 -4.837 2.065 1.00 51.14 C ATOM 221 O LEU A 15 -3.337 -5.166 2.046 1.00 71.23 O ATOM 222 CB LEU A 15 -2.023 -3.014 3.783 1.00 64.01 C ATOM 223 CG LEU A 15 -1.521 -4.000 4.855 1.00 62.44 C ATOM 224 CD1 LEU A 15 -0.020 -4.207 4.749 1.00 31.51 C ATOM 225 CD2 LEU A 15 -1.888 -3.511 6.245 1.00 73.14 C ATOM 0 H LEU A 15 -3.420 -2.471 1.486 1.00 60.14 H new ATOM 0 HA LEU A 15 -0.665 -3.318 2.143 1.00 4.42 H new ATOM 0 HB2 LEU A 15 -1.573 -2.040 3.975 1.00 64.01 H new ATOM 0 HB3 LEU A 15 -3.100 -2.897 3.902 1.00 64.01 H new ATOM 0 HG LEU A 15 -2.009 -4.959 4.681 1.00 62.44 H new ATOM 0 HD11 LEU A 15 0.306 -4.907 5.518 1.00 31.51 H new ATOM 0 HD12 LEU A 15 0.223 -4.609 3.765 1.00 31.51 H new ATOM 0 HD13 LEU A 15 0.489 -3.253 4.888 1.00 31.51 H new ATOM 0 HD21 LEU A 15 -1.525 -4.221 6.988 1.00 73.14 H new ATOM 0 HD22 LEU A 15 -1.432 -2.537 6.420 1.00 73.14 H new ATOM 0 HD23 LEU A 15 -2.972 -3.424 6.326 1.00 73.14 H new ATOM 237 N VAL A 16 -1.154 -5.679 1.857 1.00 21.25 N ATOM 238 CA VAL A 16 -1.374 -7.094 1.651 1.00 52.21 C ATOM 239 C VAL A 16 -0.753 -7.879 2.812 1.00 42.30 C ATOM 240 O VAL A 16 0.346 -7.547 3.291 1.00 30.12 O ATOM 241 CB VAL A 16 -0.776 -7.574 0.297 1.00 74.53 C ATOM 242 CG1 VAL A 16 0.740 -7.501 0.308 1.00 75.00 C ATOM 243 CG2 VAL A 16 -1.245 -8.978 -0.046 1.00 24.44 C ATOM 0 H VAL A 16 -0.173 -5.401 1.826 1.00 21.25 H new ATOM 0 HA VAL A 16 -2.449 -7.274 1.617 1.00 52.21 H new ATOM 0 HB VAL A 16 -1.140 -6.899 -0.478 1.00 74.53 H new ATOM 0 HG11 VAL A 16 1.128 -7.843 -0.652 1.00 75.00 H new ATOM 0 HG12 VAL A 16 1.053 -6.471 0.480 1.00 75.00 H new ATOM 0 HG13 VAL A 16 1.129 -8.136 1.104 1.00 75.00 H new ATOM 0 HG21 VAL A 16 -0.810 -9.285 -0.997 1.00 24.44 H new ATOM 0 HG22 VAL A 16 -0.930 -9.668 0.736 1.00 24.44 H new ATOM 0 HG23 VAL A 16 -2.332 -8.990 -0.124 1.00 24.44 H new ATOM 253 N LYS A 17 -1.453 -8.888 3.278 1.00 32.33 N ATOM 254 CA LYS A 17 -0.984 -9.688 4.389 1.00 13.25 C ATOM 255 C LYS A 17 -0.406 -11.017 3.914 1.00 61.12 C ATOM 256 O LYS A 17 -0.349 -11.295 2.711 1.00 3.42 O ATOM 257 CB LYS A 17 -2.113 -9.914 5.393 1.00 20.21 C ATOM 258 CG LYS A 17 -2.610 -8.629 6.040 1.00 73.10 C ATOM 259 CD LYS A 17 -3.784 -8.885 6.968 1.00 64.14 C ATOM 260 CE LYS A 17 -4.278 -7.595 7.602 1.00 44.43 C ATOM 261 NZ LYS A 17 -3.237 -6.957 8.451 1.00 61.41 N ATOM 0 H LYS A 17 -2.356 -9.177 2.902 1.00 32.33 H new ATOM 0 HA LYS A 17 -0.182 -9.141 4.884 1.00 13.25 H new ATOM 0 HB2 LYS A 17 -2.946 -10.404 4.889 1.00 20.21 H new ATOM 0 HB3 LYS A 17 -1.767 -10.594 6.171 1.00 20.21 H new ATOM 0 HG2 LYS A 17 -1.798 -8.166 6.600 1.00 73.10 H new ATOM 0 HG3 LYS A 17 -2.906 -7.922 5.265 1.00 73.10 H new ATOM 0 HD2 LYS A 17 -4.596 -9.353 6.411 1.00 64.14 H new ATOM 0 HD3 LYS A 17 -3.487 -9.586 7.748 1.00 64.14 H new ATOM 0 HE2 LYS A 17 -4.583 -6.900 6.820 1.00 44.43 H new ATOM 0 HE3 LYS A 17 -5.161 -7.803 8.206 1.00 44.43 H new ATOM 0 HZ1 LYS A 17 -3.675 -6.224 9.045 1.00 61.41 H new ATOM 0 HZ2 LYS A 17 -2.795 -7.677 9.058 1.00 61.41 H new ATOM 0 HZ3 LYS A 17 -2.512 -6.523 7.844 1.00 61.41 H new ATOM 275 N HIS A 18 0.029 -11.829 4.858 1.00 71.13 N ATOM 276 CA HIS A 18 0.625 -13.119 4.558 1.00 21.31 C ATOM 277 C HIS A 18 0.029 -14.169 5.469 1.00 54.42 C ATOM 278 O HIS A 18 -0.755 -13.855 6.358 1.00 13.51 O ATOM 279 CB HIS A 18 2.150 -13.094 4.806 1.00 11.51 C ATOM 280 CG HIS A 18 2.910 -12.023 4.085 1.00 33.34 C ATOM 281 ND1 HIS A 18 3.399 -10.903 4.712 1.00 50.21 N ATOM 282 CD2 HIS A 18 3.309 -11.929 2.800 1.00 1.22 C ATOM 283 CE1 HIS A 18 4.063 -10.172 3.853 1.00 34.44 C ATOM 284 NE2 HIS A 18 4.028 -10.767 2.680 1.00 71.41 N ATOM 0 H HIS A 18 -0.020 -11.614 5.854 1.00 71.13 H new ATOM 0 HA HIS A 18 0.428 -13.346 3.510 1.00 21.31 H new ATOM 0 HB2 HIS A 18 2.323 -12.979 5.876 1.00 11.51 H new ATOM 0 HB3 HIS A 18 2.562 -14.062 4.519 1.00 11.51 H new ATOM 0 HD1 HIS A 18 3.265 -10.676 5.697 1.00 50.21 H new ATOM 0 HD2 HIS A 18 3.101 -12.637 2.012 1.00 1.22 H new ATOM 0 HE1 HIS A 18 4.557 -9.237 4.071 1.00 34.44 H new ATOM 293 N SER A 19 0.412 -15.407 5.263 1.00 3.20 N ATOM 294 CA SER A 19 0.012 -16.470 6.158 1.00 73.24 C ATOM 295 C SER A 19 0.976 -16.485 7.351 1.00 41.03 C ATOM 296 O SER A 19 0.943 -17.379 8.195 1.00 43.13 O ATOM 297 CB SER A 19 0.033 -17.820 5.421 1.00 61.15 C ATOM 298 OG SER A 19 -0.531 -18.854 6.214 1.00 64.44 O ATOM 0 H SER A 19 1.000 -15.704 4.484 1.00 3.20 H new ATOM 0 HA SER A 19 -1.005 -16.301 6.513 1.00 73.24 H new ATOM 0 HB2 SER A 19 -0.521 -17.734 4.486 1.00 61.15 H new ATOM 0 HB3 SER A 19 1.060 -18.078 5.161 1.00 61.15 H new ATOM 0 HG SER A 19 -0.249 -18.742 7.146 1.00 64.44 H new ATOM 304 N GLN A 20 1.837 -15.462 7.398 1.00 53.11 N ATOM 305 CA GLN A 20 2.833 -15.317 8.447 1.00 41.12 C ATOM 306 C GLN A 20 2.650 -14.001 9.204 1.00 44.54 C ATOM 307 O GLN A 20 3.372 -13.727 10.157 1.00 42.33 O ATOM 308 CB GLN A 20 4.233 -15.370 7.842 1.00 21.33 C ATOM 309 CG GLN A 20 4.576 -16.702 7.205 1.00 23.40 C ATOM 310 CD GLN A 20 5.877 -16.655 6.441 1.00 60.34 C ATOM 311 OE1 GLN A 20 5.896 -16.367 5.246 1.00 0.14 O ATOM 312 NE2 GLN A 20 6.970 -16.924 7.121 1.00 13.11 N ATOM 0 H GLN A 20 1.857 -14.714 6.705 1.00 53.11 H new ATOM 0 HA GLN A 20 2.706 -16.139 9.152 1.00 41.12 H new ATOM 0 HB2 GLN A 20 4.324 -14.585 7.091 1.00 21.33 H new ATOM 0 HB3 GLN A 20 4.963 -15.152 8.621 1.00 21.33 H new ATOM 0 HG2 GLN A 20 4.640 -17.467 7.979 1.00 23.40 H new ATOM 0 HG3 GLN A 20 3.772 -16.997 6.531 1.00 23.40 H new ATOM 0 HE21 GLN A 20 6.909 -17.159 8.112 1.00 13.11 H new ATOM 0 HE22 GLN A 20 7.878 -16.898 6.658 1.00 13.11 H new ATOM 321 N SER A 21 1.699 -13.185 8.771 1.00 64.34 N ATOM 322 CA SER A 21 1.442 -11.918 9.434 1.00 11.51 C ATOM 323 C SER A 21 0.580 -12.123 10.668 1.00 45.21 C ATOM 324 O SER A 21 -0.071 -13.162 10.803 1.00 55.04 O ATOM 325 CB SER A 21 0.792 -10.924 8.466 1.00 41.41 C ATOM 326 OG SER A 21 -0.196 -11.551 7.669 1.00 44.12 O ATOM 0 H SER A 21 1.098 -13.377 7.970 1.00 64.34 H new ATOM 0 HA SER A 21 2.395 -11.499 9.757 1.00 11.51 H new ATOM 0 HB2 SER A 21 0.342 -10.106 9.029 1.00 41.41 H new ATOM 0 HB3 SER A 21 1.556 -10.486 7.824 1.00 41.41 H new ATOM 0 HG SER A 21 -1.064 -11.497 8.121 1.00 44.12 H new ATOM 332 N ARG A 22 0.582 -11.130 11.562 1.00 20.22 N ATOM 333 CA ARG A 22 -0.184 -11.194 12.813 1.00 4.44 C ATOM 334 C ARG A 22 -1.635 -11.585 12.565 1.00 1.04 C ATOM 335 O ARG A 22 -2.200 -12.397 13.294 1.00 3.41 O ATOM 336 CB ARG A 22 -0.128 -9.855 13.553 1.00 73.40 C ATOM 337 CG ARG A 22 1.266 -9.438 13.993 1.00 33.33 C ATOM 338 CD ARG A 22 1.917 -10.498 14.865 1.00 72.53 C ATOM 339 NE ARG A 22 1.120 -10.819 16.056 1.00 74.34 N ATOM 340 CZ ARG A 22 1.445 -11.775 16.931 1.00 33.00 C ATOM 341 NH1 ARG A 22 2.531 -12.517 16.733 1.00 12.53 N ATOM 342 NH2 ARG A 22 0.685 -11.993 17.997 1.00 54.21 N ATOM 0 H ARG A 22 1.110 -10.265 11.442 1.00 20.22 H new ATOM 0 HA ARG A 22 0.275 -11.965 13.432 1.00 4.44 H new ATOM 0 HB2 ARG A 22 -0.539 -9.079 12.907 1.00 73.40 H new ATOM 0 HB3 ARG A 22 -0.771 -9.912 14.431 1.00 73.40 H new ATOM 0 HG2 ARG A 22 1.886 -9.257 13.115 1.00 33.33 H new ATOM 0 HG3 ARG A 22 1.209 -8.498 14.543 1.00 33.33 H new ATOM 0 HD2 ARG A 22 2.067 -11.404 14.278 1.00 72.53 H new ATOM 0 HD3 ARG A 22 2.903 -10.152 15.175 1.00 72.53 H new ATOM 0 HE ARG A 22 0.270 -10.281 16.225 1.00 74.34 H new ATOM 0 HH11 ARG A 22 3.116 -12.356 15.913 1.00 12.53 H new ATOM 0 HH12 ARG A 22 2.779 -13.247 17.401 1.00 12.53 H new ATOM 0 HH21 ARG A 22 -0.151 -11.430 18.151 1.00 54.21 H new ATOM 0 HH22 ARG A 22 0.937 -12.724 18.662 1.00 54.21 H new ATOM 356 N ARG A 23 -2.232 -11.008 11.539 1.00 23.24 N ATOM 357 CA ARG A 23 -3.596 -11.331 11.192 1.00 63.44 C ATOM 358 C ARG A 23 -3.639 -12.079 9.862 1.00 25.12 C ATOM 359 O ARG A 23 -3.603 -11.469 8.797 1.00 12.24 O ATOM 360 CB ARG A 23 -4.453 -10.060 11.120 1.00 42.44 C ATOM 361 CG ARG A 23 -5.948 -10.322 10.960 1.00 1.31 C ATOM 362 CD ARG A 23 -6.503 -11.117 12.135 1.00 4.13 C ATOM 363 NE ARG A 23 -6.248 -10.451 13.414 1.00 54.12 N ATOM 364 CZ ARG A 23 -5.727 -11.053 14.488 1.00 11.21 C ATOM 365 NH1 ARG A 23 -5.450 -12.355 14.459 1.00 1.21 N ATOM 366 NH2 ARG A 23 -5.500 -10.357 15.595 1.00 23.03 N ATOM 0 H ARG A 23 -1.791 -10.315 10.934 1.00 23.24 H new ATOM 0 HA ARG A 23 -4.007 -11.975 11.969 1.00 63.44 H new ATOM 0 HB2 ARG A 23 -4.293 -9.475 12.026 1.00 42.44 H new ATOM 0 HB3 ARG A 23 -4.111 -9.451 10.283 1.00 42.44 H new ATOM 0 HG2 ARG A 23 -6.478 -9.373 10.878 1.00 1.31 H new ATOM 0 HG3 ARG A 23 -6.126 -10.868 10.033 1.00 1.31 H new ATOM 0 HD2 ARG A 23 -7.576 -11.255 12.005 1.00 4.13 H new ATOM 0 HD3 ARG A 23 -6.053 -12.110 12.147 1.00 4.13 H new ATOM 0 HE ARG A 23 -6.484 -9.462 13.491 1.00 54.12 H new ATOM 0 HH11 ARG A 23 -5.635 -12.897 13.615 1.00 1.21 H new ATOM 0 HH12 ARG A 23 -5.053 -12.810 15.281 1.00 1.21 H new ATOM 0 HH21 ARG A 23 -5.723 -9.362 15.627 1.00 23.03 H new ATOM 0 HH22 ARG A 23 -5.103 -10.817 16.414 1.00 23.03 H new ATOM 380 N PRO A 24 -3.692 -13.416 9.913 1.00 21.31 N ATOM 381 CA PRO A 24 -3.746 -14.255 8.717 1.00 4.25 C ATOM 382 C PRO A 24 -5.178 -14.416 8.205 1.00 23.42 C ATOM 383 O PRO A 24 -5.574 -15.492 7.755 1.00 70.54 O ATOM 384 CB PRO A 24 -3.207 -15.588 9.226 1.00 42.54 C ATOM 385 CG PRO A 24 -3.651 -15.651 10.648 1.00 43.41 C ATOM 386 CD PRO A 24 -3.690 -14.227 11.149 1.00 11.31 C ATOM 0 HA PRO A 24 -3.186 -13.839 7.879 1.00 4.25 H new ATOM 0 HB2 PRO A 24 -3.604 -16.423 8.649 1.00 42.54 H new ATOM 0 HB3 PRO A 24 -2.121 -15.633 9.147 1.00 42.54 H new ATOM 0 HG2 PRO A 24 -4.633 -16.117 10.727 1.00 43.41 H new ATOM 0 HG3 PRO A 24 -2.964 -16.253 11.243 1.00 43.41 H new ATOM 0 HD2 PRO A 24 -4.579 -14.040 11.751 1.00 11.31 H new ATOM 0 HD3 PRO A 24 -2.827 -14.000 11.775 1.00 11.31 H new ATOM 394 N SER A 25 -5.932 -13.335 8.252 1.00 2.45 N ATOM 395 CA SER A 25 -7.316 -13.332 7.824 1.00 70.32 C ATOM 396 C SER A 25 -7.652 -11.983 7.195 1.00 23.43 C ATOM 397 O SER A 25 -7.201 -10.939 7.679 1.00 22.43 O ATOM 398 CB SER A 25 -8.231 -13.604 9.027 1.00 24.33 C ATOM 399 OG SER A 25 -9.583 -13.748 8.630 1.00 73.11 O ATOM 0 H SER A 25 -5.600 -12.431 8.589 1.00 2.45 H new ATOM 0 HA SER A 25 -7.471 -14.116 7.083 1.00 70.32 H new ATOM 0 HB2 SER A 25 -7.903 -14.509 9.538 1.00 24.33 H new ATOM 0 HB3 SER A 25 -8.146 -12.786 9.742 1.00 24.33 H new ATOM 0 HG SER A 25 -9.755 -14.682 8.387 1.00 73.11 H new ATOM 405 N SER A 26 -8.427 -12.001 6.124 1.00 41.11 N ATOM 406 CA SER A 26 -8.804 -10.779 5.443 1.00 65.03 C ATOM 407 C SER A 26 -10.311 -10.606 5.474 1.00 33.21 C ATOM 408 O SER A 26 -11.022 -11.358 6.147 1.00 42.30 O ATOM 409 CB SER A 26 -8.338 -10.822 3.989 1.00 43.35 C ATOM 410 OG SER A 26 -9.033 -11.830 3.263 1.00 1.41 O ATOM 0 H SER A 26 -8.807 -12.851 5.708 1.00 41.11 H new ATOM 0 HA SER A 26 -8.330 -9.941 5.954 1.00 65.03 H new ATOM 0 HB2 SER A 26 -8.503 -9.852 3.521 1.00 43.35 H new ATOM 0 HB3 SER A 26 -7.266 -11.015 3.952 1.00 43.35 H new ATOM 0 HG SER A 26 -8.614 -11.949 2.385 1.00 1.41 H new ATOM 415 N TRP A 27 -10.796 -9.615 4.751 1.00 64.41 N ATOM 416 CA TRP A 27 -12.218 -9.393 4.625 1.00 11.42 C ATOM 417 C TRP A 27 -12.709 -10.066 3.342 1.00 34.42 C ATOM 418 O TRP A 27 -13.902 -10.083 3.046 1.00 22.14 O ATOM 419 CB TRP A 27 -12.526 -7.885 4.595 1.00 33.21 C ATOM 420 CG TRP A 27 -12.115 -7.204 3.320 1.00 31.42 C ATOM 421 CD1 TRP A 27 -10.844 -7.020 2.854 1.00 22.33 C ATOM 422 CD2 TRP A 27 -12.986 -6.607 2.354 1.00 10.13 C ATOM 423 NE1 TRP A 27 -10.875 -6.364 1.654 1.00 43.42 N ATOM 424 CE2 TRP A 27 -12.178 -6.094 1.325 1.00 63.45 C ATOM 425 CE3 TRP A 27 -14.371 -6.462 2.258 1.00 34.41 C ATOM 426 CZ2 TRP A 27 -12.711 -5.447 0.214 1.00 32.13 C ATOM 427 CZ3 TRP A 27 -14.897 -5.818 1.157 1.00 21.11 C ATOM 428 CH2 TRP A 27 -14.068 -5.319 0.148 1.00 51.12 C ATOM 0 H TRP A 27 -10.219 -8.948 4.239 1.00 64.41 H new ATOM 0 HA TRP A 27 -12.734 -9.823 5.484 1.00 11.42 H new ATOM 0 HB2 TRP A 27 -13.596 -7.740 4.744 1.00 33.21 H new ATOM 0 HB3 TRP A 27 -12.019 -7.404 5.432 1.00 33.21 H new ATOM 0 HD1 TRP A 27 -9.946 -7.345 3.359 1.00 22.33 H new ATOM 0 HE1 TRP A 27 -10.059 -6.116 1.094 1.00 43.42 H new ATOM 0 HE3 TRP A 27 -15.019 -6.847 3.031 1.00 34.41 H new ATOM 0 HZ2 TRP A 27 -12.074 -5.060 -0.568 1.00 32.13 H new ATOM 0 HZ3 TRP A 27 -15.967 -5.697 1.073 1.00 21.11 H new ATOM 0 HH2 TRP A 27 -14.511 -4.821 -0.702 1.00 51.12 H new ATOM 439 N ARG A 28 -11.759 -10.628 2.599 1.00 73.42 N ATOM 440 CA ARG A 28 -12.039 -11.297 1.341 1.00 61.25 C ATOM 441 C ARG A 28 -12.095 -12.799 1.547 1.00 21.21 C ATOM 442 O ARG A 28 -12.918 -13.493 0.946 1.00 43.14 O ATOM 443 CB ARG A 28 -10.953 -10.962 0.313 1.00 53.50 C ATOM 444 CG ARG A 28 -10.909 -9.499 -0.093 1.00 11.44 C ATOM 445 CD ARG A 28 -12.111 -9.121 -0.943 1.00 33.53 C ATOM 446 NE ARG A 28 -12.148 -9.871 -2.202 1.00 73.52 N ATOM 447 CZ ARG A 28 -13.118 -9.774 -3.113 1.00 42.15 C ATOM 448 NH1 ARG A 28 -14.143 -8.954 -2.915 1.00 72.02 N ATOM 449 NH2 ARG A 28 -13.061 -10.501 -4.222 1.00 31.42 N ATOM 0 H ARG A 28 -10.772 -10.630 2.857 1.00 73.42 H new ATOM 0 HA ARG A 28 -13.004 -10.950 0.971 1.00 61.25 H new ATOM 0 HB2 ARG A 28 -9.983 -11.243 0.722 1.00 53.50 H new ATOM 0 HB3 ARG A 28 -11.112 -11.570 -0.578 1.00 53.50 H new ATOM 0 HG2 ARG A 28 -10.882 -8.873 0.799 1.00 11.44 H new ATOM 0 HG3 ARG A 28 -9.992 -9.302 -0.649 1.00 11.44 H new ATOM 0 HD2 ARG A 28 -13.026 -9.309 -0.382 1.00 33.53 H new ATOM 0 HD3 ARG A 28 -12.082 -8.053 -1.158 1.00 33.53 H new ATOM 0 HE ARG A 28 -11.378 -10.512 -2.395 1.00 73.52 H new ATOM 0 HH11 ARG A 28 -14.191 -8.395 -2.063 1.00 72.02 H new ATOM 0 HH12 ARG A 28 -14.882 -8.883 -3.614 1.00 72.02 H new ATOM 0 HH21 ARG A 28 -12.276 -11.133 -4.377 1.00 31.42 H new ATOM 0 HH22 ARG A 28 -13.802 -10.427 -4.919 1.00 31.42 H new ATOM 463 N GLN A 29 -11.212 -13.298 2.385 1.00 12.00 N ATOM 464 CA GLN A 29 -11.157 -14.705 2.680 1.00 43.34 C ATOM 465 C GLN A 29 -10.949 -14.914 4.179 1.00 63.31 C ATOM 466 O GLN A 29 -10.295 -14.106 4.842 1.00 75.33 O ATOM 467 CB GLN A 29 -10.033 -15.360 1.868 1.00 5.33 C ATOM 468 CG GLN A 29 -10.005 -16.878 1.935 1.00 21.50 C ATOM 469 CD GLN A 29 -11.317 -17.519 1.516 1.00 22.21 C ATOM 470 OE1 GLN A 29 -12.068 -16.973 0.703 1.00 40.14 O ATOM 471 NE2 GLN A 29 -11.592 -18.686 2.057 1.00 13.33 N ATOM 0 H GLN A 29 -10.516 -12.738 2.877 1.00 12.00 H new ATOM 0 HA GLN A 29 -12.100 -15.175 2.400 1.00 43.34 H new ATOM 0 HB2 GLN A 29 -10.132 -15.057 0.826 1.00 5.33 H new ATOM 0 HB3 GLN A 29 -9.076 -14.976 2.222 1.00 5.33 H new ATOM 0 HG2 GLN A 29 -9.206 -17.249 1.294 1.00 21.50 H new ATOM 0 HG3 GLN A 29 -9.766 -17.186 2.953 1.00 21.50 H new ATOM 0 HE21 GLN A 29 -10.944 -19.104 2.725 1.00 13.33 H new ATOM 0 HE22 GLN A 29 -12.453 -19.173 1.808 1.00 13.33 H new ATOM 480 N GLU A 30 -11.519 -15.993 4.705 1.00 11.44 N ATOM 481 CA GLU A 30 -11.437 -16.303 6.134 1.00 13.11 C ATOM 482 C GLU A 30 -9.991 -16.476 6.605 1.00 11.50 C ATOM 483 O GLU A 30 -9.687 -16.287 7.785 1.00 24.13 O ATOM 484 CB GLU A 30 -12.252 -17.558 6.458 1.00 22.33 C ATOM 485 CG GLU A 30 -11.810 -18.798 5.697 1.00 11.11 C ATOM 486 CD GLU A 30 -12.573 -20.030 6.111 1.00 14.41 C ATOM 487 OE1 GLU A 30 -12.195 -20.654 7.122 1.00 33.51 O ATOM 488 OE2 GLU A 30 -13.558 -20.386 5.426 1.00 44.33 O ATOM 0 H GLU A 30 -12.048 -16.675 4.161 1.00 11.44 H new ATOM 0 HA GLU A 30 -11.857 -15.453 6.672 1.00 13.11 H new ATOM 0 HB2 GLU A 30 -12.183 -17.757 7.527 1.00 22.33 H new ATOM 0 HB3 GLU A 30 -13.302 -17.364 6.237 1.00 22.33 H new ATOM 0 HG2 GLU A 30 -11.946 -18.632 4.628 1.00 11.11 H new ATOM 0 HG3 GLU A 30 -10.745 -18.961 5.862 1.00 11.11 H new ATOM 495 N LYS A 31 -9.104 -16.832 5.693 1.00 42.54 N ATOM 496 CA LYS A 31 -7.711 -17.012 6.036 1.00 44.24 C ATOM 497 C LYS A 31 -6.812 -16.742 4.845 1.00 42.21 C ATOM 498 O LYS A 31 -7.217 -16.912 3.694 1.00 23.22 O ATOM 499 CB LYS A 31 -7.455 -18.422 6.584 1.00 41.04 C ATOM 500 CG LYS A 31 -7.707 -19.546 5.584 1.00 13.43 C ATOM 501 CD LYS A 31 -7.535 -20.913 6.231 1.00 3.20 C ATOM 502 CE LYS A 31 -6.118 -21.122 6.748 1.00 45.50 C ATOM 503 NZ LYS A 31 -5.995 -22.368 7.538 1.00 73.14 N ATOM 0 H LYS A 31 -9.326 -17.001 4.712 1.00 42.54 H new ATOM 0 HA LYS A 31 -7.472 -16.289 6.816 1.00 44.24 H new ATOM 0 HB2 LYS A 31 -6.422 -18.483 6.927 1.00 41.04 H new ATOM 0 HB3 LYS A 31 -8.090 -18.580 7.456 1.00 41.04 H new ATOM 0 HG2 LYS A 31 -8.716 -19.457 5.181 1.00 13.43 H new ATOM 0 HG3 LYS A 31 -7.018 -19.450 4.745 1.00 13.43 H new ATOM 0 HD2 LYS A 31 -8.241 -21.016 7.055 1.00 3.20 H new ATOM 0 HD3 LYS A 31 -7.775 -21.691 5.506 1.00 3.20 H new ATOM 0 HE2 LYS A 31 -5.426 -21.156 5.906 1.00 45.50 H new ATOM 0 HE3 LYS A 31 -5.828 -20.271 7.365 1.00 45.50 H new ATOM 0 HZ1 LYS A 31 -5.015 -22.473 7.871 1.00 73.14 H new ATOM 0 HZ2 LYS A 31 -6.636 -22.325 8.356 1.00 73.14 H new ATOM 0 HZ3 LYS A 31 -6.247 -23.183 6.943 1.00 73.14 H new ATOM 517 N ILE A 32 -5.610 -16.304 5.129 1.00 22.05 N ATOM 518 CA ILE A 32 -4.627 -16.046 4.104 1.00 53.23 C ATOM 519 C ILE A 32 -3.796 -17.296 3.880 1.00 24.03 C ATOM 520 O ILE A 32 -3.209 -17.832 4.819 1.00 22.12 O ATOM 521 CB ILE A 32 -3.691 -14.877 4.500 1.00 50.24 C ATOM 522 CG1 ILE A 32 -4.500 -13.615 4.810 1.00 34.13 C ATOM 523 CG2 ILE A 32 -2.685 -14.603 3.394 1.00 43.01 C ATOM 524 CD1 ILE A 32 -5.356 -13.137 3.658 1.00 30.24 C ATOM 0 H ILE A 32 -5.285 -16.116 6.077 1.00 22.05 H new ATOM 0 HA ILE A 32 -5.153 -15.769 3.190 1.00 53.23 H new ATOM 0 HB ILE A 32 -3.148 -15.165 5.400 1.00 50.24 H new ATOM 0 HG12 ILE A 32 -5.141 -13.808 5.670 1.00 34.13 H new ATOM 0 HG13 ILE A 32 -3.815 -12.817 5.096 1.00 34.13 H new ATOM 0 HG21 ILE A 32 -2.035 -13.779 3.689 1.00 43.01 H new ATOM 0 HG22 ILE A 32 -2.083 -15.495 3.220 1.00 43.01 H new ATOM 0 HG23 ILE A 32 -3.214 -14.338 2.478 1.00 43.01 H new ATOM 0 HD11 ILE A 32 -5.898 -12.239 3.955 1.00 30.24 H new ATOM 0 HD12 ILE A 32 -4.720 -12.910 2.802 1.00 30.24 H new ATOM 0 HD13 ILE A 32 -6.067 -13.917 3.385 1.00 30.24 H new ATOM 536 N THR A 33 -3.766 -17.771 2.654 1.00 74.45 N ATOM 537 CA THR A 33 -3.019 -18.963 2.327 1.00 60.14 C ATOM 538 C THR A 33 -1.720 -18.629 1.603 1.00 1.04 C ATOM 539 O THR A 33 -0.857 -19.493 1.424 1.00 51.21 O ATOM 540 CB THR A 33 -3.859 -19.922 1.469 1.00 63.30 C ATOM 541 OG1 THR A 33 -4.462 -19.200 0.381 1.00 12.00 O ATOM 542 CG2 THR A 33 -4.945 -20.581 2.308 1.00 71.23 C ATOM 0 H THR A 33 -4.253 -17.347 1.865 1.00 74.45 H new ATOM 0 HA THR A 33 -2.772 -19.454 3.269 1.00 60.14 H new ATOM 0 HB THR A 33 -3.203 -20.698 1.074 1.00 63.30 H new ATOM 0 HG1 THR A 33 -4.995 -19.815 -0.164 1.00 12.00 H new ATOM 0 HG21 THR A 33 -5.529 -21.256 1.682 1.00 71.23 H new ATOM 0 HG22 THR A 33 -4.486 -21.145 3.120 1.00 71.23 H new ATOM 0 HG23 THR A 33 -5.599 -19.815 2.723 1.00 71.23 H new ATOM 550 N ARG A 34 -1.581 -17.381 1.187 1.00 64.24 N ATOM 551 CA ARG A 34 -0.388 -16.950 0.483 1.00 15.51 C ATOM 552 C ARG A 34 0.770 -16.755 1.463 1.00 22.42 C ATOM 553 O ARG A 34 0.623 -16.100 2.508 1.00 72.00 O ATOM 554 CB ARG A 34 -0.660 -15.652 -0.311 1.00 12.22 C ATOM 555 CG ARG A 34 -0.711 -14.391 0.539 1.00 51.42 C ATOM 556 CD ARG A 34 -1.250 -13.204 -0.235 1.00 53.32 C ATOM 557 NE ARG A 34 -2.717 -13.192 -0.282 1.00 0.31 N ATOM 558 CZ ARG A 34 -3.476 -12.310 0.386 1.00 13.45 C ATOM 559 NH1 ARG A 34 -2.908 -11.428 1.188 1.00 60.42 N ATOM 560 NH2 ARG A 34 -4.798 -12.328 0.270 1.00 71.43 N ATOM 0 H ARG A 34 -2.279 -16.651 1.325 1.00 64.24 H new ATOM 0 HA ARG A 34 -0.108 -17.728 -0.228 1.00 15.51 H new ATOM 0 HB2 ARG A 34 0.116 -15.534 -1.067 1.00 12.22 H new ATOM 0 HB3 ARG A 34 -1.607 -15.757 -0.840 1.00 12.22 H new ATOM 0 HG2 ARG A 34 -1.338 -14.568 1.413 1.00 51.42 H new ATOM 0 HG3 ARG A 34 0.289 -14.160 0.906 1.00 51.42 H new ATOM 0 HD2 ARG A 34 -0.895 -12.281 0.225 1.00 53.32 H new ATOM 0 HD3 ARG A 34 -0.856 -13.226 -1.251 1.00 53.32 H new ATOM 0 HE ARG A 34 -3.186 -13.894 -0.855 1.00 0.31 H new ATOM 0 HH11 ARG A 34 -1.894 -11.418 1.299 1.00 60.42 H new ATOM 0 HH12 ARG A 34 -3.483 -10.757 1.697 1.00 60.42 H new ATOM 0 HH21 ARG A 34 -5.248 -13.018 -0.332 1.00 71.43 H new ATOM 0 HH22 ARG A 34 -5.364 -11.652 0.783 1.00 71.43 H new ATOM 574 N THR A 35 1.904 -17.338 1.151 1.00 40.54 N ATOM 575 CA THR A 35 3.068 -17.198 1.995 1.00 31.24 C ATOM 576 C THR A 35 3.778 -15.859 1.705 1.00 21.13 C ATOM 577 O THR A 35 3.270 -15.030 0.934 1.00 51.30 O ATOM 578 CB THR A 35 4.047 -18.401 1.828 1.00 54.23 C ATOM 579 OG1 THR A 35 5.108 -18.329 2.790 1.00 13.41 O ATOM 580 CG2 THR A 35 4.632 -18.445 0.430 1.00 71.25 C ATOM 0 H THR A 35 2.046 -17.913 0.320 1.00 40.54 H new ATOM 0 HA THR A 35 2.735 -17.198 3.033 1.00 31.24 H new ATOM 0 HB THR A 35 3.474 -19.313 1.994 1.00 54.23 H new ATOM 0 HG1 THR A 35 5.710 -19.093 2.670 1.00 13.41 H new ATOM 0 HG21 THR A 35 5.310 -19.294 0.346 1.00 71.25 H new ATOM 0 HG22 THR A 35 3.827 -18.549 -0.298 1.00 71.25 H new ATOM 0 HG23 THR A 35 5.180 -17.523 0.236 1.00 71.25 H new ATOM 588 N LYS A 36 4.924 -15.652 2.333 1.00 3.24 N ATOM 589 CA LYS A 36 5.687 -14.414 2.197 1.00 54.44 C ATOM 590 C LYS A 36 5.987 -14.076 0.731 1.00 0.24 C ATOM 591 O LYS A 36 5.530 -13.050 0.217 1.00 10.30 O ATOM 592 CB LYS A 36 6.994 -14.525 2.980 1.00 3.13 C ATOM 593 CG LYS A 36 7.796 -13.236 3.037 1.00 15.43 C ATOM 594 CD LYS A 36 9.154 -13.451 3.685 1.00 63.13 C ATOM 595 CE LYS A 36 9.026 -13.999 5.095 1.00 2.24 C ATOM 596 NZ LYS A 36 10.346 -14.173 5.739 1.00 33.31 N ATOM 0 H LYS A 36 5.355 -16.337 2.954 1.00 3.24 H new ATOM 0 HA LYS A 36 5.077 -13.606 2.601 1.00 54.44 H new ATOM 0 HB2 LYS A 36 6.769 -14.845 3.997 1.00 3.13 H new ATOM 0 HB3 LYS A 36 7.610 -15.303 2.529 1.00 3.13 H new ATOM 0 HG2 LYS A 36 7.931 -12.846 2.028 1.00 15.43 H new ATOM 0 HG3 LYS A 36 7.239 -12.485 3.597 1.00 15.43 H new ATOM 0 HD2 LYS A 36 9.741 -14.141 3.079 1.00 63.13 H new ATOM 0 HD3 LYS A 36 9.698 -12.507 3.710 1.00 63.13 H new ATOM 0 HE2 LYS A 36 8.416 -13.323 5.694 1.00 2.24 H new ATOM 0 HE3 LYS A 36 8.506 -14.957 5.067 1.00 2.24 H new ATOM 0 HZ1 LYS A 36 10.217 -14.549 6.700 1.00 33.31 H new ATOM 0 HZ2 LYS A 36 10.919 -14.838 5.182 1.00 33.31 H new ATOM 0 HZ3 LYS A 36 10.832 -13.255 5.789 1.00 33.31 H new ATOM 610 N GLU A 37 6.726 -14.949 0.069 1.00 61.41 N ATOM 611 CA GLU A 37 7.162 -14.720 -1.312 1.00 2.45 C ATOM 612 C GLU A 37 5.986 -14.585 -2.280 1.00 63.42 C ATOM 613 O GLU A 37 6.068 -13.853 -3.268 1.00 2.05 O ATOM 614 CB GLU A 37 8.091 -15.845 -1.759 1.00 12.12 C ATOM 615 CG GLU A 37 9.303 -16.021 -0.858 1.00 70.14 C ATOM 616 CD GLU A 37 10.193 -14.800 -0.824 1.00 53.22 C ATOM 617 OE1 GLU A 37 9.903 -13.861 -0.054 1.00 42.41 O ATOM 618 OE2 GLU A 37 11.196 -14.769 -1.568 1.00 72.45 O ATOM 0 H GLU A 37 7.043 -15.834 0.464 1.00 61.41 H new ATOM 0 HA GLU A 37 7.701 -13.773 -1.331 1.00 2.45 H new ATOM 0 HB2 GLU A 37 7.530 -16.779 -1.788 1.00 12.12 H new ATOM 0 HB3 GLU A 37 8.429 -15.645 -2.776 1.00 12.12 H new ATOM 0 HG2 GLU A 37 8.967 -16.248 0.154 1.00 70.14 H new ATOM 0 HG3 GLU A 37 9.883 -16.878 -1.201 1.00 70.14 H new ATOM 625 N GLU A 38 4.895 -15.277 -1.988 1.00 23.52 N ATOM 626 CA GLU A 38 3.709 -15.231 -2.837 1.00 44.24 C ATOM 627 C GLU A 38 3.149 -13.823 -2.930 1.00 53.53 C ATOM 628 O GLU A 38 2.922 -13.307 -4.022 1.00 22.33 O ATOM 629 CB GLU A 38 2.644 -16.178 -2.311 1.00 34.22 C ATOM 630 CG GLU A 38 3.008 -17.636 -2.457 1.00 42.43 C ATOM 631 CD GLU A 38 3.136 -18.053 -3.896 1.00 0.33 C ATOM 632 OE1 GLU A 38 2.093 -18.269 -4.542 1.00 1.13 O ATOM 633 OE2 GLU A 38 4.277 -18.179 -4.386 1.00 15.40 O ATOM 0 H GLU A 38 4.804 -15.878 -1.169 1.00 23.52 H new ATOM 0 HA GLU A 38 4.006 -15.546 -3.837 1.00 44.24 H new ATOM 0 HB2 GLU A 38 2.464 -15.961 -1.258 1.00 34.22 H new ATOM 0 HB3 GLU A 38 1.709 -15.990 -2.840 1.00 34.22 H new ATOM 0 HG2 GLU A 38 3.949 -17.826 -1.941 1.00 42.43 H new ATOM 0 HG3 GLU A 38 2.249 -18.248 -1.970 1.00 42.43 H new ATOM 640 N ALA A 39 2.948 -13.198 -1.778 1.00 31.00 N ATOM 641 CA ALA A 39 2.401 -11.852 -1.731 1.00 52.24 C ATOM 642 C ALA A 39 3.328 -10.859 -2.413 1.00 53.42 C ATOM 643 O ALA A 39 2.874 -9.900 -3.023 1.00 54.02 O ATOM 644 CB ALA A 39 2.131 -11.431 -0.300 1.00 10.42 C ATOM 0 H ALA A 39 3.156 -13.602 -0.865 1.00 31.00 H new ATOM 0 HA ALA A 39 1.455 -11.858 -2.273 1.00 52.24 H new ATOM 0 HB1 ALA A 39 1.722 -10.421 -0.289 1.00 10.42 H new ATOM 0 HB2 ALA A 39 1.415 -12.117 0.152 1.00 10.42 H new ATOM 0 HB3 ALA A 39 3.062 -11.452 0.267 1.00 10.42 H new ATOM 650 N LEU A 40 4.628 -11.106 -2.318 1.00 73.03 N ATOM 651 CA LEU A 40 5.616 -10.235 -2.940 1.00 22.23 C ATOM 652 C LEU A 40 5.446 -10.260 -4.458 1.00 40.52 C ATOM 653 O LEU A 40 5.413 -9.213 -5.108 1.00 71.14 O ATOM 654 CB LEU A 40 7.042 -10.664 -2.521 1.00 11.43 C ATOM 655 CG LEU A 40 8.213 -9.753 -2.958 1.00 53.20 C ATOM 656 CD1 LEU A 40 8.623 -10.026 -4.395 1.00 61.25 C ATOM 657 CD2 LEU A 40 7.859 -8.282 -2.771 1.00 45.52 C ATOM 0 H LEU A 40 5.022 -11.902 -1.816 1.00 73.03 H new ATOM 0 HA LEU A 40 5.464 -9.211 -2.600 1.00 22.23 H new ATOM 0 HB2 LEU A 40 7.065 -10.745 -1.434 1.00 11.43 H new ATOM 0 HB3 LEU A 40 7.225 -11.662 -2.919 1.00 11.43 H new ATOM 0 HG LEU A 40 9.064 -9.985 -2.318 1.00 53.20 H new ATOM 0 HD11 LEU A 40 9.448 -9.369 -4.669 1.00 61.25 H new ATOM 0 HD12 LEU A 40 8.939 -11.065 -4.492 1.00 61.25 H new ATOM 0 HD13 LEU A 40 7.777 -9.841 -5.056 1.00 61.25 H new ATOM 0 HD21 LEU A 40 8.699 -7.663 -3.086 1.00 45.52 H new ATOM 0 HD22 LEU A 40 6.984 -8.039 -3.373 1.00 45.52 H new ATOM 0 HD23 LEU A 40 7.641 -8.091 -1.720 1.00 45.52 H new ATOM 669 N GLU A 41 5.310 -11.456 -5.009 1.00 10.35 N ATOM 670 CA GLU A 41 5.109 -11.616 -6.441 1.00 43.12 C ATOM 671 C GLU A 41 3.767 -11.040 -6.862 1.00 33.24 C ATOM 672 O GLU A 41 3.615 -10.555 -7.985 1.00 24.43 O ATOM 673 CB GLU A 41 5.222 -13.081 -6.837 1.00 41.20 C ATOM 674 CG GLU A 41 6.646 -13.602 -6.804 1.00 22.33 C ATOM 675 CD GLU A 41 7.493 -13.045 -7.934 1.00 63.54 C ATOM 676 OE1 GLU A 41 7.855 -11.847 -7.892 1.00 73.54 O ATOM 677 OE2 GLU A 41 7.800 -13.808 -8.877 1.00 74.03 O ATOM 0 H GLU A 41 5.335 -12.331 -4.486 1.00 10.35 H new ATOM 0 HA GLU A 41 5.891 -11.064 -6.962 1.00 43.12 H new ATOM 0 HB2 GLU A 41 4.607 -13.680 -6.165 1.00 41.20 H new ATOM 0 HB3 GLU A 41 4.818 -13.211 -7.841 1.00 41.20 H new ATOM 0 HG2 GLU A 41 7.103 -13.342 -5.849 1.00 22.33 H new ATOM 0 HG3 GLU A 41 6.633 -14.690 -6.866 1.00 22.33 H new ATOM 684 N LEU A 42 2.793 -11.097 -5.964 1.00 43.23 N ATOM 685 CA LEU A 42 1.492 -10.505 -6.228 1.00 4.12 C ATOM 686 C LEU A 42 1.622 -8.997 -6.313 1.00 73.14 C ATOM 687 O LEU A 42 1.059 -8.371 -7.200 1.00 23.25 O ATOM 688 CB LEU A 42 0.474 -10.890 -5.148 1.00 12.33 C ATOM 689 CG LEU A 42 0.089 -12.371 -5.088 1.00 64.31 C ATOM 690 CD1 LEU A 42 -0.916 -12.613 -3.975 1.00 1.53 C ATOM 691 CD2 LEU A 42 -0.477 -12.832 -6.424 1.00 4.44 C ATOM 0 H LEU A 42 2.879 -11.545 -5.052 1.00 43.23 H new ATOM 0 HA LEU A 42 1.128 -10.891 -7.180 1.00 4.12 H new ATOM 0 HB2 LEU A 42 0.876 -10.600 -4.177 1.00 12.33 H new ATOM 0 HB3 LEU A 42 -0.432 -10.305 -5.306 1.00 12.33 H new ATOM 0 HG LEU A 42 0.987 -12.951 -4.877 1.00 64.31 H new ATOM 0 HD11 LEU A 42 -1.179 -13.670 -3.946 1.00 1.53 H new ATOM 0 HD12 LEU A 42 -0.479 -12.322 -3.020 1.00 1.53 H new ATOM 0 HD13 LEU A 42 -1.812 -12.021 -4.159 1.00 1.53 H new ATOM 0 HD21 LEU A 42 -0.745 -13.887 -6.361 1.00 4.44 H new ATOM 0 HD22 LEU A 42 -1.364 -12.246 -6.665 1.00 4.44 H new ATOM 0 HD23 LEU A 42 0.272 -12.693 -7.204 1.00 4.44 H new ATOM 703 N ILE A 43 2.392 -8.423 -5.389 1.00 31.20 N ATOM 704 CA ILE A 43 2.646 -6.987 -5.381 1.00 43.24 C ATOM 705 C ILE A 43 3.293 -6.565 -6.686 1.00 23.10 C ATOM 706 O ILE A 43 2.854 -5.606 -7.324 1.00 73.43 O ATOM 707 CB ILE A 43 3.549 -6.572 -4.190 1.00 54.43 C ATOM 708 CG1 ILE A 43 2.828 -6.818 -2.863 1.00 25.43 C ATOM 709 CG2 ILE A 43 3.974 -5.110 -4.308 1.00 12.40 C ATOM 710 CD1 ILE A 43 1.575 -5.985 -2.681 1.00 63.52 C ATOM 0 H ILE A 43 2.851 -8.934 -4.635 1.00 31.20 H new ATOM 0 HA ILE A 43 1.686 -6.482 -5.268 1.00 43.24 H new ATOM 0 HB ILE A 43 4.449 -7.186 -4.216 1.00 54.43 H new ATOM 0 HG12 ILE A 43 2.564 -7.873 -2.794 1.00 25.43 H new ATOM 0 HG13 ILE A 43 3.515 -6.607 -2.043 1.00 25.43 H new ATOM 0 HG21 ILE A 43 4.606 -4.845 -3.460 1.00 12.40 H new ATOM 0 HG22 ILE A 43 4.530 -4.966 -5.234 1.00 12.40 H new ATOM 0 HG23 ILE A 43 3.089 -4.473 -4.314 1.00 12.40 H new ATOM 0 HD11 ILE A 43 1.121 -6.216 -1.717 1.00 63.52 H new ATOM 0 HD12 ILE A 43 1.833 -4.927 -2.716 1.00 63.52 H new ATOM 0 HD13 ILE A 43 0.868 -6.212 -3.479 1.00 63.52 H new ATOM 722 N ASN A 44 4.335 -7.294 -7.083 1.00 41.41 N ATOM 723 CA ASN A 44 5.005 -7.038 -8.353 1.00 54.50 C ATOM 724 C ASN A 44 4.006 -7.103 -9.492 1.00 50.14 C ATOM 725 O ASN A 44 4.006 -6.255 -10.383 1.00 53.43 O ATOM 726 CB ASN A 44 6.128 -8.048 -8.595 1.00 62.41 C ATOM 727 CG ASN A 44 7.290 -7.875 -7.643 1.00 1.24 C ATOM 728 OD1 ASN A 44 7.560 -6.774 -7.167 1.00 43.12 O ATOM 729 ND2 ASN A 44 7.991 -8.956 -7.364 1.00 33.14 N ATOM 0 H ASN A 44 4.731 -8.064 -6.544 1.00 41.41 H new ATOM 0 HA ASN A 44 5.441 -6.040 -8.309 1.00 54.50 H new ATOM 0 HB2 ASN A 44 5.730 -9.058 -8.494 1.00 62.41 H new ATOM 0 HB3 ASN A 44 6.486 -7.947 -9.620 1.00 62.41 H new ATOM 0 HD21 ASN A 44 8.790 -8.897 -6.732 1.00 33.14 H new ATOM 0 HD22 ASN A 44 7.735 -9.851 -7.780 1.00 33.14 H new ATOM 736 N GLY A 45 3.141 -8.114 -9.444 1.00 40.02 N ATOM 737 CA GLY A 45 2.114 -8.275 -10.449 1.00 14.13 C ATOM 738 C GLY A 45 1.196 -7.073 -10.522 1.00 31.34 C ATOM 739 O GLY A 45 0.946 -6.548 -11.608 1.00 31.44 O ATOM 0 H GLY A 45 3.138 -8.829 -8.717 1.00 40.02 H new ATOM 0 HA2 GLY A 45 2.580 -8.434 -11.421 1.00 14.13 H new ATOM 0 HA3 GLY A 45 1.527 -9.166 -10.227 1.00 14.13 H new ATOM 743 N TYR A 46 0.706 -6.627 -9.359 1.00 44.23 N ATOM 744 CA TYR A 46 -0.167 -5.456 -9.291 1.00 32.11 C ATOM 745 C TYR A 46 0.517 -4.265 -9.938 1.00 11.41 C ATOM 746 O TYR A 46 -0.046 -3.617 -10.818 1.00 23.23 O ATOM 747 CB TYR A 46 -0.521 -5.093 -7.836 1.00 22.15 C ATOM 748 CG TYR A 46 -1.156 -6.206 -7.023 1.00 0.23 C ATOM 749 CD1 TYR A 46 -2.039 -7.114 -7.596 1.00 45.20 C ATOM 750 CD2 TYR A 46 -0.857 -6.348 -5.673 1.00 45.40 C ATOM 751 CE1 TYR A 46 -2.605 -8.129 -6.845 1.00 24.33 C ATOM 752 CE2 TYR A 46 -1.417 -7.358 -4.917 1.00 61.22 C ATOM 753 CZ TYR A 46 -2.288 -8.244 -5.505 1.00 45.34 C ATOM 754 OH TYR A 46 -2.846 -9.253 -4.752 1.00 10.22 O ATOM 0 H TYR A 46 0.900 -7.060 -8.456 1.00 44.23 H new ATOM 0 HA TYR A 46 -1.087 -5.703 -9.821 1.00 32.11 H new ATOM 0 HB2 TYR A 46 0.388 -4.769 -7.329 1.00 22.15 H new ATOM 0 HB3 TYR A 46 -1.201 -4.241 -7.847 1.00 22.15 H new ATOM 0 HD1 TYR A 46 -2.287 -7.026 -8.643 1.00 45.20 H new ATOM 0 HD2 TYR A 46 -0.173 -5.654 -5.206 1.00 45.40 H new ATOM 0 HE1 TYR A 46 -3.290 -8.827 -7.303 1.00 24.33 H new ATOM 0 HE2 TYR A 46 -1.172 -7.452 -3.869 1.00 61.22 H new ATOM 0 HH TYR A 46 -3.679 -9.553 -5.173 1.00 10.22 H new ATOM 764 N ILE A 47 1.751 -4.004 -9.510 1.00 31.42 N ATOM 765 CA ILE A 47 2.535 -2.891 -10.029 1.00 62.35 C ATOM 766 C ILE A 47 2.690 -2.990 -11.544 1.00 34.51 C ATOM 767 O ILE A 47 2.468 -2.014 -12.262 1.00 52.45 O ATOM 768 CB ILE A 47 3.935 -2.824 -9.371 1.00 30.54 C ATOM 769 CG1 ILE A 47 3.802 -2.627 -7.857 1.00 34.24 C ATOM 770 CG2 ILE A 47 4.769 -1.703 -9.988 1.00 71.45 C ATOM 771 CD1 ILE A 47 5.123 -2.656 -7.117 1.00 12.02 C ATOM 0 H ILE A 47 2.231 -4.555 -8.798 1.00 31.42 H new ATOM 0 HA ILE A 47 1.992 -1.979 -9.783 1.00 62.35 H new ATOM 0 HB ILE A 47 4.448 -3.768 -9.554 1.00 30.54 H new ATOM 0 HG12 ILE A 47 3.311 -1.673 -7.666 1.00 34.24 H new ATOM 0 HG13 ILE A 47 3.154 -3.406 -7.455 1.00 34.24 H new ATOM 0 HG21 ILE A 47 5.749 -1.674 -9.511 1.00 71.45 H new ATOM 0 HG22 ILE A 47 4.890 -1.885 -11.056 1.00 71.45 H new ATOM 0 HG23 ILE A 47 4.264 -0.749 -9.838 1.00 71.45 H new ATOM 0 HD11 ILE A 47 4.946 -2.510 -6.051 1.00 12.02 H new ATOM 0 HD12 ILE A 47 5.608 -3.619 -7.276 1.00 12.02 H new ATOM 0 HD13 ILE A 47 5.767 -1.860 -7.491 1.00 12.02 H new ATOM 783 N GLN A 48 3.055 -4.176 -12.025 1.00 21.44 N ATOM 784 CA GLN A 48 3.229 -4.395 -13.457 1.00 35.41 C ATOM 785 C GLN A 48 1.934 -4.116 -14.207 1.00 12.42 C ATOM 786 O GLN A 48 1.939 -3.441 -15.234 1.00 73.01 O ATOM 787 CB GLN A 48 3.712 -5.821 -13.748 1.00 44.22 C ATOM 788 CG GLN A 48 5.112 -6.130 -13.226 1.00 33.34 C ATOM 789 CD GLN A 48 6.155 -5.145 -13.724 1.00 64.23 C ATOM 790 OE1 GLN A 48 6.737 -5.328 -14.794 1.00 34.32 O ATOM 791 NE2 GLN A 48 6.423 -4.112 -12.939 1.00 52.44 N ATOM 0 H GLN A 48 3.235 -4.996 -11.446 1.00 21.44 H new ATOM 0 HA GLN A 48 3.993 -3.700 -13.806 1.00 35.41 H new ATOM 0 HB2 GLN A 48 3.009 -6.527 -13.307 1.00 44.22 H new ATOM 0 HB3 GLN A 48 3.695 -5.985 -14.825 1.00 44.22 H new ATOM 0 HG2 GLN A 48 5.099 -6.119 -12.136 1.00 33.34 H new ATOM 0 HG3 GLN A 48 5.395 -7.137 -13.531 1.00 33.34 H new ATOM 0 HE21 GLN A 48 5.919 -3.995 -12.060 1.00 52.44 H new ATOM 0 HE22 GLN A 48 7.133 -3.434 -13.214 1.00 52.44 H new ATOM 800 N LYS A 49 0.821 -4.604 -13.674 1.00 11.31 N ATOM 801 CA LYS A 49 -0.474 -4.403 -14.301 1.00 5.51 C ATOM 802 C LYS A 49 -0.868 -2.929 -14.294 1.00 32.01 C ATOM 803 O LYS A 49 -1.395 -2.422 -15.279 1.00 50.31 O ATOM 804 CB LYS A 49 -1.548 -5.258 -13.625 1.00 13.40 C ATOM 805 CG LYS A 49 -1.322 -6.752 -13.790 1.00 13.25 C ATOM 806 CD LYS A 49 -2.448 -7.563 -13.174 1.00 32.01 C ATOM 807 CE LYS A 49 -2.187 -9.059 -13.301 1.00 60.05 C ATOM 808 NZ LYS A 49 -2.023 -9.483 -14.716 1.00 71.01 N ATOM 0 H LYS A 49 0.792 -5.142 -12.808 1.00 11.31 H new ATOM 0 HA LYS A 49 -0.393 -4.721 -15.340 1.00 5.51 H new ATOM 0 HB2 LYS A 49 -1.578 -5.018 -12.562 1.00 13.40 H new ATOM 0 HB3 LYS A 49 -2.523 -4.998 -14.038 1.00 13.40 H new ATOM 0 HG2 LYS A 49 -1.238 -6.992 -14.850 1.00 13.25 H new ATOM 0 HG3 LYS A 49 -0.377 -7.030 -13.325 1.00 13.25 H new ATOM 0 HD2 LYS A 49 -2.556 -7.299 -12.122 1.00 32.01 H new ATOM 0 HD3 LYS A 49 -3.389 -7.313 -13.664 1.00 32.01 H new ATOM 0 HE2 LYS A 49 -1.289 -9.318 -12.740 1.00 60.05 H new ATOM 0 HE3 LYS A 49 -3.014 -9.610 -12.852 1.00 60.05 H new ATOM 0 HZ1 LYS A 49 -2.051 -10.521 -14.773 1.00 71.01 H new ATOM 0 HZ2 LYS A 49 -2.793 -9.084 -15.290 1.00 71.01 H new ATOM 0 HZ3 LYS A 49 -1.110 -9.141 -15.077 1.00 71.01 H new ATOM 822 N ILE A 50 -0.600 -2.248 -13.188 1.00 14.13 N ATOM 823 CA ILE A 50 -0.903 -0.821 -13.070 1.00 40.21 C ATOM 824 C ILE A 50 -0.070 -0.006 -14.064 1.00 34.11 C ATOM 825 O ILE A 50 -0.599 0.841 -14.787 1.00 53.42 O ATOM 826 CB ILE A 50 -0.646 -0.301 -11.629 1.00 54.42 C ATOM 827 CG1 ILE A 50 -1.584 -0.995 -10.636 1.00 51.23 C ATOM 828 CG2 ILE A 50 -0.822 1.214 -11.558 1.00 74.00 C ATOM 829 CD1 ILE A 50 -1.306 -0.645 -9.190 1.00 23.33 C ATOM 0 H ILE A 50 -0.173 -2.658 -12.357 1.00 14.13 H new ATOM 0 HA ILE A 50 -1.961 -0.696 -13.299 1.00 40.21 H new ATOM 0 HB ILE A 50 0.384 -0.537 -11.360 1.00 54.42 H new ATOM 0 HG12 ILE A 50 -2.613 -0.727 -10.874 1.00 51.23 H new ATOM 0 HG13 ILE A 50 -1.498 -2.074 -10.762 1.00 51.23 H new ATOM 0 HG21 ILE A 50 -0.637 1.554 -10.539 1.00 74.00 H new ATOM 0 HG22 ILE A 50 -0.116 1.694 -12.235 1.00 74.00 H new ATOM 0 HG23 ILE A 50 -1.839 1.476 -11.849 1.00 74.00 H new ATOM 0 HD11 ILE A 50 -2.009 -1.173 -8.546 1.00 23.33 H new ATOM 0 HD12 ILE A 50 -0.288 -0.939 -8.934 1.00 23.33 H new ATOM 0 HD13 ILE A 50 -1.420 0.430 -9.047 1.00 23.33 H new ATOM 841 N LYS A 51 1.228 -0.289 -14.111 1.00 62.44 N ATOM 842 CA LYS A 51 2.142 0.414 -15.010 1.00 73.34 C ATOM 843 C LYS A 51 1.836 0.091 -16.475 1.00 13.40 C ATOM 844 O LYS A 51 1.977 0.946 -17.352 1.00 13.15 O ATOM 845 CB LYS A 51 3.597 0.053 -14.689 1.00 14.42 C ATOM 846 CG LYS A 51 4.081 0.529 -13.319 1.00 42.53 C ATOM 847 CD LYS A 51 4.142 2.053 -13.227 1.00 32.54 C ATOM 848 CE LYS A 51 5.143 2.638 -14.217 1.00 2.15 C ATOM 849 NZ LYS A 51 5.232 4.112 -14.105 1.00 61.24 N ATOM 0 H LYS A 51 1.674 -1.003 -13.535 1.00 62.44 H new ATOM 0 HA LYS A 51 1.999 1.484 -14.857 1.00 73.34 H new ATOM 0 HB2 LYS A 51 3.710 -1.030 -14.744 1.00 14.42 H new ATOM 0 HB3 LYS A 51 4.242 0.480 -15.457 1.00 14.42 H new ATOM 0 HG2 LYS A 51 3.414 0.146 -12.547 1.00 42.53 H new ATOM 0 HG3 LYS A 51 5.069 0.115 -13.120 1.00 42.53 H new ATOM 0 HD2 LYS A 51 3.153 2.469 -13.420 1.00 32.54 H new ATOM 0 HD3 LYS A 51 4.418 2.346 -12.214 1.00 32.54 H new ATOM 0 HE2 LYS A 51 6.126 2.200 -14.041 1.00 2.15 H new ATOM 0 HE3 LYS A 51 4.851 2.368 -15.232 1.00 2.15 H new ATOM 0 HZ1 LYS A 51 5.923 4.471 -14.794 1.00 61.24 H new ATOM 0 HZ2 LYS A 51 4.300 4.532 -14.298 1.00 61.24 H new ATOM 0 HZ3 LYS A 51 5.536 4.369 -13.144 1.00 61.24 H new ATOM 863 N SER A 52 1.426 -1.142 -16.732 1.00 71.55 N ATOM 864 CA SER A 52 1.092 -1.571 -18.080 1.00 35.24 C ATOM 865 C SER A 52 -0.253 -0.989 -18.517 1.00 43.51 C ATOM 866 O SER A 52 -0.526 -0.859 -19.706 1.00 51.55 O ATOM 867 CB SER A 52 1.060 -3.103 -18.154 1.00 2.10 C ATOM 868 OG SER A 52 0.830 -3.562 -19.479 1.00 63.11 O ATOM 0 H SER A 52 1.317 -1.865 -16.021 1.00 71.55 H new ATOM 0 HA SER A 52 1.860 -1.201 -18.760 1.00 35.24 H new ATOM 0 HB2 SER A 52 2.005 -3.504 -17.789 1.00 2.10 H new ATOM 0 HB3 SER A 52 0.278 -3.483 -17.497 1.00 2.10 H new ATOM 0 HG SER A 52 0.818 -4.542 -19.488 1.00 63.11 H new ATOM 874 N GLY A 53 -1.081 -0.635 -17.548 1.00 0.41 N ATOM 875 CA GLY A 53 -2.376 -0.071 -17.852 1.00 51.25 C ATOM 876 C GLY A 53 -3.469 -1.119 -17.887 1.00 1.10 C ATOM 877 O GLY A 53 -4.527 -0.902 -18.480 1.00 34.41 O ATOM 0 H GLY A 53 -0.878 -0.729 -16.553 1.00 0.41 H new ATOM 0 HA2 GLY A 53 -2.624 0.684 -17.106 1.00 51.25 H new ATOM 0 HA3 GLY A 53 -2.331 0.436 -18.816 1.00 51.25 H new ATOM 881 N GLU A 54 -3.215 -2.251 -17.253 1.00 32.32 N ATOM 882 CA GLU A 54 -4.182 -3.339 -17.199 1.00 1.32 C ATOM 883 C GLU A 54 -5.176 -3.110 -16.078 1.00 14.23 C ATOM 884 O GLU A 54 -6.379 -2.982 -16.311 1.00 61.43 O ATOM 885 CB GLU A 54 -3.483 -4.676 -16.962 1.00 41.52 C ATOM 886 CG GLU A 54 -2.536 -5.104 -18.058 1.00 72.51 C ATOM 887 CD GLU A 54 -2.007 -6.499 -17.825 1.00 12.20 C ATOM 888 OE1 GLU A 54 -2.786 -7.460 -17.965 1.00 73.45 O ATOM 889 OE2 GLU A 54 -0.815 -6.640 -17.485 1.00 63.42 O ATOM 0 H GLU A 54 -2.341 -2.443 -16.764 1.00 32.32 H new ATOM 0 HA GLU A 54 -4.702 -3.364 -18.157 1.00 1.32 H new ATOM 0 HB2 GLU A 54 -2.928 -4.618 -16.025 1.00 41.52 H new ATOM 0 HB3 GLU A 54 -4.242 -5.448 -16.836 1.00 41.52 H new ATOM 0 HG2 GLU A 54 -3.050 -5.065 -19.019 1.00 72.51 H new ATOM 0 HG3 GLU A 54 -1.703 -4.403 -18.113 1.00 72.51 H new ATOM 896 N GLU A 55 -4.665 -3.056 -14.864 1.00 12.11 N ATOM 897 CA GLU A 55 -5.498 -2.894 -13.692 1.00 10.02 C ATOM 898 C GLU A 55 -5.357 -1.501 -13.109 1.00 60.34 C ATOM 899 O GLU A 55 -4.467 -0.737 -13.493 1.00 3.30 O ATOM 900 CB GLU A 55 -5.138 -3.938 -12.635 1.00 12.23 C ATOM 901 CG GLU A 55 -5.417 -5.369 -13.061 1.00 11.44 C ATOM 902 CD GLU A 55 -6.874 -5.601 -13.380 1.00 15.22 C ATOM 903 OE1 GLU A 55 -7.706 -5.591 -12.444 1.00 54.13 O ATOM 904 OE2 GLU A 55 -7.204 -5.782 -14.562 1.00 52.10 O ATOM 0 H GLU A 55 -3.667 -3.123 -14.664 1.00 12.11 H new ATOM 0 HA GLU A 55 -6.535 -3.036 -13.997 1.00 10.02 H new ATOM 0 HB2 GLU A 55 -4.080 -3.842 -12.390 1.00 12.23 H new ATOM 0 HB3 GLU A 55 -5.697 -3.725 -11.724 1.00 12.23 H new ATOM 0 HG2 GLU A 55 -4.814 -5.609 -13.937 1.00 11.44 H new ATOM 0 HG3 GLU A 55 -5.109 -6.048 -12.266 1.00 11.44 H new ATOM 911 N ASP A 56 -6.235 -1.184 -12.180 1.00 70.43 N ATOM 912 CA ASP A 56 -6.236 0.108 -11.514 1.00 10.54 C ATOM 913 C ASP A 56 -5.861 -0.061 -10.047 1.00 65.01 C ATOM 914 O ASP A 56 -6.255 -1.038 -9.417 1.00 43.22 O ATOM 915 CB ASP A 56 -7.615 0.752 -11.636 1.00 21.44 C ATOM 916 CG ASP A 56 -7.713 2.070 -10.915 1.00 60.25 C ATOM 917 OD1 ASP A 56 -7.311 3.101 -11.496 1.00 11.24 O ATOM 918 OD2 ASP A 56 -8.193 2.086 -9.771 1.00 53.25 O ATOM 0 H ASP A 56 -6.971 -1.815 -11.863 1.00 70.43 H new ATOM 0 HA ASP A 56 -5.500 0.756 -11.990 1.00 10.54 H new ATOM 0 HB2 ASP A 56 -7.848 0.902 -12.690 1.00 21.44 H new ATOM 0 HB3 ASP A 56 -8.366 0.069 -11.238 1.00 21.44 H new ATOM 923 N PHE A 57 -5.102 0.895 -9.509 1.00 22.13 N ATOM 924 CA PHE A 57 -4.636 0.826 -8.121 1.00 61.04 C ATOM 925 C PHE A 57 -5.801 0.716 -7.137 1.00 72.22 C ATOM 926 O PHE A 57 -5.797 -0.146 -6.258 1.00 13.44 O ATOM 927 CB PHE A 57 -3.774 2.049 -7.781 1.00 71.44 C ATOM 928 CG PHE A 57 -3.195 2.018 -6.387 1.00 51.43 C ATOM 929 CD1 PHE A 57 -2.041 1.302 -6.116 1.00 75.22 C ATOM 930 CD2 PHE A 57 -3.810 2.703 -5.347 1.00 10.13 C ATOM 931 CE1 PHE A 57 -1.509 1.269 -4.843 1.00 22.32 C ATOM 932 CE2 PHE A 57 -3.283 2.673 -4.071 1.00 13.44 C ATOM 933 CZ PHE A 57 -2.132 1.955 -3.818 1.00 23.02 C ATOM 0 H PHE A 57 -4.796 1.727 -10.013 1.00 22.13 H new ATOM 0 HA PHE A 57 -4.031 -0.076 -8.026 1.00 61.04 H new ATOM 0 HB2 PHE A 57 -2.959 2.119 -8.501 1.00 71.44 H new ATOM 0 HB3 PHE A 57 -4.377 2.950 -7.894 1.00 71.44 H new ATOM 0 HD1 PHE A 57 -1.550 0.762 -6.912 1.00 75.22 H new ATOM 0 HD2 PHE A 57 -4.711 3.266 -5.539 1.00 10.13 H new ATOM 0 HE1 PHE A 57 -0.607 0.708 -4.648 1.00 22.32 H new ATOM 0 HE2 PHE A 57 -3.771 3.211 -3.272 1.00 13.44 H new ATOM 0 HZ PHE A 57 -1.719 1.929 -2.820 1.00 23.02 H new ATOM 943 N GLU A 58 -6.798 1.573 -7.301 1.00 72.00 N ATOM 944 CA GLU A 58 -7.953 1.584 -6.408 1.00 12.04 C ATOM 945 C GLU A 58 -8.759 0.307 -6.571 1.00 15.11 C ATOM 946 O GLU A 58 -9.211 -0.287 -5.588 1.00 74.32 O ATOM 947 CB GLU A 58 -8.834 2.798 -6.693 1.00 51.22 C ATOM 948 CG GLU A 58 -8.116 4.127 -6.562 1.00 0.34 C ATOM 949 CD GLU A 58 -8.973 5.289 -7.004 1.00 14.54 C ATOM 950 OE1 GLU A 58 -9.039 5.552 -8.221 1.00 64.52 O ATOM 951 OE2 GLU A 58 -9.585 5.951 -6.140 1.00 24.20 O ATOM 0 H GLU A 58 -6.833 2.271 -8.044 1.00 72.00 H new ATOM 0 HA GLU A 58 -7.594 1.644 -5.381 1.00 12.04 H new ATOM 0 HB2 GLU A 58 -9.237 2.713 -7.702 1.00 51.22 H new ATOM 0 HB3 GLU A 58 -9.683 2.786 -6.009 1.00 51.22 H new ATOM 0 HG2 GLU A 58 -7.816 4.274 -5.525 1.00 0.34 H new ATOM 0 HG3 GLU A 58 -7.204 4.104 -7.158 1.00 0.34 H new ATOM 958 N SER A 59 -8.919 -0.119 -7.817 1.00 60.00 N ATOM 959 CA SER A 59 -9.661 -1.329 -8.128 1.00 61.33 C ATOM 960 C SER A 59 -8.985 -2.552 -7.495 1.00 73.33 C ATOM 961 O SER A 59 -9.652 -3.490 -7.064 1.00 13.24 O ATOM 962 CB SER A 59 -9.779 -1.502 -9.647 1.00 65.45 C ATOM 963 OG SER A 59 -10.687 -2.544 -9.986 1.00 72.45 O ATOM 0 H SER A 59 -8.541 0.362 -8.633 1.00 60.00 H new ATOM 0 HA SER A 59 -10.664 -1.240 -7.710 1.00 61.33 H new ATOM 0 HB2 SER A 59 -10.114 -0.567 -10.096 1.00 65.45 H new ATOM 0 HB3 SER A 59 -8.797 -1.723 -10.066 1.00 65.45 H new ATOM 0 HG SER A 59 -10.740 -2.627 -10.961 1.00 72.45 H new ATOM 969 N LEU A 60 -7.661 -2.529 -7.438 1.00 61.44 N ATOM 970 CA LEU A 60 -6.912 -3.613 -6.831 1.00 20.03 C ATOM 971 C LEU A 60 -6.959 -3.511 -5.313 1.00 65.00 C ATOM 972 O LEU A 60 -7.061 -4.517 -4.624 1.00 54.53 O ATOM 973 CB LEU A 60 -5.460 -3.614 -7.314 1.00 41.34 C ATOM 974 CG LEU A 60 -5.252 -3.890 -8.806 1.00 12.11 C ATOM 975 CD1 LEU A 60 -3.779 -3.807 -9.160 1.00 4.21 C ATOM 976 CD2 LEU A 60 -5.814 -5.252 -9.184 1.00 74.13 C ATOM 0 H LEU A 60 -7.086 -1.771 -7.805 1.00 61.44 H new ATOM 0 HA LEU A 60 -7.375 -4.552 -7.135 1.00 20.03 H new ATOM 0 HB2 LEU A 60 -5.018 -2.646 -7.078 1.00 41.34 H new ATOM 0 HB3 LEU A 60 -4.909 -4.363 -6.745 1.00 41.34 H new ATOM 0 HG LEU A 60 -5.788 -3.129 -9.373 1.00 12.11 H new ATOM 0 HD11 LEU A 60 -3.649 -4.006 -10.224 1.00 4.21 H new ATOM 0 HD12 LEU A 60 -3.405 -2.810 -8.929 1.00 4.21 H new ATOM 0 HD13 LEU A 60 -3.224 -4.546 -8.582 1.00 4.21 H new ATOM 0 HD21 LEU A 60 -5.656 -5.428 -10.248 1.00 74.13 H new ATOM 0 HD22 LEU A 60 -5.308 -6.027 -8.609 1.00 74.13 H new ATOM 0 HD23 LEU A 60 -6.882 -5.278 -8.967 1.00 74.13 H new ATOM 988 N ALA A 61 -6.897 -2.293 -4.802 1.00 72.12 N ATOM 989 CA ALA A 61 -6.925 -2.061 -3.363 1.00 63.44 C ATOM 990 C ALA A 61 -8.245 -2.517 -2.756 1.00 61.12 C ATOM 991 O ALA A 61 -8.272 -3.107 -1.687 1.00 61.22 O ATOM 992 CB ALA A 61 -6.680 -0.590 -3.055 1.00 2.10 C ATOM 0 H ALA A 61 -6.827 -1.444 -5.363 1.00 72.12 H new ATOM 0 HA ALA A 61 -6.126 -2.651 -2.914 1.00 63.44 H new ATOM 0 HB1 ALA A 61 -6.704 -0.435 -1.976 1.00 2.10 H new ATOM 0 HB2 ALA A 61 -5.705 -0.295 -3.442 1.00 2.10 H new ATOM 0 HB3 ALA A 61 -7.455 0.014 -3.526 1.00 2.10 H new ATOM 998 N SER A 62 -9.328 -2.264 -3.455 1.00 13.42 N ATOM 999 CA SER A 62 -10.656 -2.616 -2.979 1.00 25.21 C ATOM 1000 C SER A 62 -10.960 -4.121 -3.118 1.00 3.41 C ATOM 1001 O SER A 62 -12.078 -4.558 -2.841 1.00 30.55 O ATOM 1002 CB SER A 62 -11.708 -1.781 -3.717 1.00 64.41 C ATOM 1003 OG SER A 62 -11.474 -1.785 -5.118 1.00 41.54 O ATOM 0 H SER A 62 -9.319 -1.810 -4.368 1.00 13.42 H new ATOM 0 HA SER A 62 -10.691 -2.392 -1.913 1.00 25.21 H new ATOM 0 HB2 SER A 62 -12.702 -2.178 -3.510 1.00 64.41 H new ATOM 0 HB3 SER A 62 -11.690 -0.757 -3.345 1.00 64.41 H new ATOM 0 HG SER A 62 -10.764 -1.145 -5.333 1.00 41.54 H new ATOM 1009 N GLN A 63 -9.969 -4.911 -3.530 1.00 51.11 N ATOM 1010 CA GLN A 63 -10.176 -6.350 -3.702 1.00 53.52 C ATOM 1011 C GLN A 63 -9.004 -7.172 -3.166 1.00 54.04 C ATOM 1012 O GLN A 63 -9.194 -8.112 -2.405 1.00 63.24 O ATOM 1013 CB GLN A 63 -10.394 -6.693 -5.179 1.00 21.41 C ATOM 1014 CG GLN A 63 -11.600 -6.024 -5.815 1.00 11.03 C ATOM 1015 CD GLN A 63 -11.783 -6.425 -7.261 1.00 72.21 C ATOM 1016 OE1 GLN A 63 -11.434 -7.538 -7.655 1.00 54.03 O ATOM 1017 NE2 GLN A 63 -12.319 -5.530 -8.060 1.00 64.35 N ATOM 0 H GLN A 63 -9.027 -4.586 -3.748 1.00 51.11 H new ATOM 0 HA GLN A 63 -11.065 -6.607 -3.126 1.00 53.52 H new ATOM 0 HB2 GLN A 63 -9.502 -6.411 -5.739 1.00 21.41 H new ATOM 0 HB3 GLN A 63 -10.502 -7.773 -5.275 1.00 21.41 H new ATOM 0 HG2 GLN A 63 -12.496 -6.285 -5.252 1.00 11.03 H new ATOM 0 HG3 GLN A 63 -11.487 -4.942 -5.752 1.00 11.03 H new ATOM 0 HE21 GLN A 63 -12.595 -4.619 -7.693 1.00 64.35 H new ATOM 0 HE22 GLN A 63 -12.459 -5.746 -9.047 1.00 64.35 H new ATOM 1026 N PHE A 64 -7.798 -6.804 -3.562 1.00 1.31 N ATOM 1027 CA PHE A 64 -6.608 -7.568 -3.208 1.00 14.34 C ATOM 1028 C PHE A 64 -5.885 -6.996 -1.991 1.00 24.14 C ATOM 1029 O PHE A 64 -4.728 -7.326 -1.739 1.00 24.43 O ATOM 1030 CB PHE A 64 -5.654 -7.635 -4.399 1.00 71.03 C ATOM 1031 CG PHE A 64 -6.217 -8.363 -5.586 1.00 23.55 C ATOM 1032 CD1 PHE A 64 -6.202 -9.746 -5.638 1.00 55.43 C ATOM 1033 CD2 PHE A 64 -6.760 -7.664 -6.649 1.00 54.34 C ATOM 1034 CE1 PHE A 64 -6.718 -10.419 -6.729 1.00 45.54 C ATOM 1035 CE2 PHE A 64 -7.277 -8.329 -7.744 1.00 21.01 C ATOM 1036 CZ PHE A 64 -7.255 -9.709 -7.783 1.00 73.42 C ATOM 0 H PHE A 64 -7.614 -5.978 -4.131 1.00 1.31 H new ATOM 0 HA PHE A 64 -6.939 -8.572 -2.943 1.00 14.34 H new ATOM 0 HB2 PHE A 64 -5.390 -6.621 -4.698 1.00 71.03 H new ATOM 0 HB3 PHE A 64 -4.732 -8.126 -4.087 1.00 71.03 H new ATOM 0 HD1 PHE A 64 -5.782 -10.306 -4.816 1.00 55.43 H new ATOM 0 HD2 PHE A 64 -6.780 -6.585 -6.623 1.00 54.34 H new ATOM 0 HE1 PHE A 64 -6.701 -11.499 -6.757 1.00 45.54 H new ATOM 0 HE2 PHE A 64 -7.697 -7.771 -8.567 1.00 21.01 H new ATOM 0 HZ PHE A 64 -7.658 -10.232 -8.638 1.00 73.42 H new ATOM 1046 N SER A 65 -6.554 -6.146 -1.247 1.00 42.24 N ATOM 1047 CA SER A 65 -5.976 -5.606 -0.037 1.00 5.24 C ATOM 1048 C SER A 65 -6.713 -6.181 1.159 1.00 12.51 C ATOM 1049 O SER A 65 -7.937 -6.064 1.263 1.00 71.44 O ATOM 1050 CB SER A 65 -6.037 -4.074 -0.034 1.00 64.01 C ATOM 1051 OG SER A 65 -5.274 -3.526 1.035 1.00 20.30 O ATOM 0 H SER A 65 -7.495 -5.814 -1.457 1.00 42.24 H new ATOM 0 HA SER A 65 -4.924 -5.887 0.017 1.00 5.24 H new ATOM 0 HB2 SER A 65 -5.663 -3.692 -0.984 1.00 64.01 H new ATOM 0 HB3 SER A 65 -7.074 -3.750 0.054 1.00 64.01 H new ATOM 0 HG SER A 65 -4.609 -4.182 1.332 1.00 20.30 H new ATOM 1057 N ASP A 66 -5.968 -6.807 2.055 1.00 52.44 N ATOM 1058 CA ASP A 66 -6.551 -7.464 3.224 1.00 4.14 C ATOM 1059 C ASP A 66 -6.746 -6.476 4.366 1.00 24.24 C ATOM 1060 O ASP A 66 -7.037 -6.868 5.499 1.00 15.25 O ATOM 1061 CB ASP A 66 -5.647 -8.606 3.705 1.00 52.11 C ATOM 1062 CG ASP A 66 -5.071 -9.441 2.579 1.00 45.10 C ATOM 1063 OD1 ASP A 66 -5.791 -10.289 2.015 1.00 41.42 O ATOM 1064 OD2 ASP A 66 -3.880 -9.260 2.268 1.00 35.41 O ATOM 0 H ASP A 66 -4.952 -6.877 1.999 1.00 52.44 H new ATOM 0 HA ASP A 66 -7.521 -7.863 2.926 1.00 4.14 H new ATOM 0 HB2 ASP A 66 -4.829 -8.188 4.291 1.00 52.11 H new ATOM 0 HB3 ASP A 66 -6.217 -9.254 4.371 1.00 52.11 H new ATOM 1069 N ALA A 67 -6.585 -5.199 4.075 1.00 54.55 N ATOM 1070 CA ALA A 67 -6.704 -4.170 5.088 1.00 74.32 C ATOM 1071 C ALA A 67 -7.921 -3.285 4.844 1.00 2.01 C ATOM 1072 O ALA A 67 -8.679 -3.497 3.897 1.00 13.02 O ATOM 1073 CB ALA A 67 -5.440 -3.333 5.133 1.00 5.51 C ATOM 0 H ALA A 67 -6.371 -4.849 3.141 1.00 54.55 H new ATOM 0 HA ALA A 67 -6.840 -4.661 6.052 1.00 74.32 H new ATOM 0 HB1 ALA A 67 -5.541 -2.563 5.898 1.00 5.51 H new ATOM 0 HB2 ALA A 67 -4.589 -3.971 5.371 1.00 5.51 H new ATOM 0 HB3 ALA A 67 -5.281 -2.862 4.163 1.00 5.51 H new ATOM 1079 N SER A 68 -8.084 -2.282 5.697 1.00 23.21 N ATOM 1080 CA SER A 68 -9.198 -1.352 5.607 1.00 71.43 C ATOM 1081 C SER A 68 -9.021 -0.413 4.406 1.00 42.11 C ATOM 1082 O SER A 68 -9.925 0.343 4.048 1.00 61.55 O ATOM 1083 CB SER A 68 -9.299 -0.543 6.910 1.00 21.11 C ATOM 1084 OG SER A 68 -10.527 0.162 6.994 1.00 5.13 O ATOM 0 H SER A 68 -7.447 -2.092 6.470 1.00 23.21 H new ATOM 0 HA SER A 68 -10.120 -1.915 5.463 1.00 71.43 H new ATOM 0 HB2 SER A 68 -9.205 -1.214 7.764 1.00 21.11 H new ATOM 0 HB3 SER A 68 -8.470 0.162 6.966 1.00 21.11 H new ATOM 0 HG SER A 68 -10.785 0.477 6.103 1.00 5.13 H new ATOM 1090 N SER A 69 -7.856 -0.490 3.776 1.00 63.30 N ATOM 1091 CA SER A 69 -7.539 0.324 2.622 1.00 72.04 C ATOM 1092 C SER A 69 -8.519 0.072 1.475 1.00 1.25 C ATOM 1093 O SER A 69 -8.780 0.955 0.670 1.00 54.51 O ATOM 1094 CB SER A 69 -6.109 0.036 2.182 1.00 62.21 C ATOM 1095 OG SER A 69 -5.737 -1.291 2.536 1.00 1.43 O ATOM 0 H SER A 69 -7.106 -1.122 4.056 1.00 63.30 H new ATOM 0 HA SER A 69 -7.629 1.374 2.899 1.00 72.04 H new ATOM 0 HB2 SER A 69 -6.020 0.170 1.104 1.00 62.21 H new ATOM 0 HB3 SER A 69 -5.428 0.748 2.649 1.00 62.21 H new ATOM 0 HG SER A 69 -5.645 -1.832 1.724 1.00 1.43 H new ATOM 1101 N ALA A 70 -9.062 -1.136 1.430 1.00 62.30 N ATOM 1102 CA ALA A 70 -10.022 -1.523 0.412 1.00 34.53 C ATOM 1103 C ALA A 70 -11.262 -0.631 0.441 1.00 52.23 C ATOM 1104 O ALA A 70 -11.686 -0.102 -0.591 1.00 44.10 O ATOM 1105 CB ALA A 70 -10.417 -2.971 0.613 1.00 5.33 C ATOM 0 H ALA A 70 -8.848 -1.875 2.100 1.00 62.30 H new ATOM 0 HA ALA A 70 -9.552 -1.402 -0.564 1.00 34.53 H new ATOM 0 HB1 ALA A 70 -11.138 -3.261 -0.152 1.00 5.33 H new ATOM 0 HB2 ALA A 70 -9.533 -3.603 0.536 1.00 5.33 H new ATOM 0 HB3 ALA A 70 -10.865 -3.092 1.599 1.00 5.33 H new ATOM 1111 N LYS A 71 -11.827 -0.447 1.625 1.00 61.52 N ATOM 1112 CA LYS A 71 -13.041 0.352 1.780 1.00 44.43 C ATOM 1113 C LYS A 71 -12.720 1.842 1.836 1.00 4.35 C ATOM 1114 O LYS A 71 -13.611 2.689 1.755 1.00 52.42 O ATOM 1115 CB LYS A 71 -13.819 -0.077 3.029 1.00 33.22 C ATOM 1116 CG LYS A 71 -13.029 0.037 4.325 1.00 71.44 C ATOM 1117 CD LYS A 71 -13.865 -0.372 5.531 1.00 60.22 C ATOM 1118 CE LYS A 71 -15.082 0.521 5.691 1.00 24.44 C ATOM 1119 NZ LYS A 71 -15.840 0.211 6.925 1.00 62.32 N ATOM 0 H LYS A 71 -11.467 -0.839 2.495 1.00 61.52 H new ATOM 0 HA LYS A 71 -13.667 0.176 0.905 1.00 44.43 H new ATOM 0 HB2 LYS A 71 -14.719 0.533 3.110 1.00 33.22 H new ATOM 0 HB3 LYS A 71 -14.144 -1.110 2.904 1.00 33.22 H new ATOM 0 HG2 LYS A 71 -12.141 -0.593 4.267 1.00 71.44 H new ATOM 0 HG3 LYS A 71 -12.684 1.063 4.452 1.00 71.44 H new ATOM 0 HD2 LYS A 71 -14.184 -1.408 5.419 1.00 60.22 H new ATOM 0 HD3 LYS A 71 -13.254 -0.322 6.433 1.00 60.22 H new ATOM 0 HE2 LYS A 71 -14.766 1.564 5.712 1.00 24.44 H new ATOM 0 HE3 LYS A 71 -15.734 0.403 4.826 1.00 24.44 H new ATOM 0 HZ1 LYS A 71 -16.663 0.843 6.995 1.00 62.32 H new ATOM 0 HZ2 LYS A 71 -16.164 -0.777 6.894 1.00 62.32 H new ATOM 0 HZ3 LYS A 71 -15.226 0.348 7.753 1.00 62.32 H new ATOM 1133 N ALA A 72 -11.448 2.159 1.973 1.00 52.31 N ATOM 1134 CA ALA A 72 -11.012 3.538 2.018 1.00 72.02 C ATOM 1135 C ALA A 72 -10.455 3.964 0.669 1.00 1.41 C ATOM 1136 O ALA A 72 -9.989 5.091 0.506 1.00 2.03 O ATOM 1137 CB ALA A 72 -9.972 3.726 3.106 1.00 23.22 C ATOM 0 H ALA A 72 -10.696 1.475 2.055 1.00 52.31 H new ATOM 0 HA ALA A 72 -11.872 4.167 2.248 1.00 72.02 H new ATOM 0 HB1 ALA A 72 -9.653 4.768 3.128 1.00 23.22 H new ATOM 0 HB2 ALA A 72 -10.402 3.457 4.071 1.00 23.22 H new ATOM 0 HB3 ALA A 72 -9.112 3.088 2.902 1.00 23.22 H new ATOM 1143 N ARG A 73 -10.497 3.038 -0.298 1.00 10.10 N ATOM 1144 CA ARG A 73 -10.001 3.283 -1.659 1.00 64.32 C ATOM 1145 C ARG A 73 -8.508 3.621 -1.661 1.00 70.12 C ATOM 1146 O ARG A 73 -7.990 4.192 -2.620 1.00 2.34 O ATOM 1147 CB ARG A 73 -10.799 4.400 -2.339 1.00 10.03 C ATOM 1148 CG ARG A 73 -12.246 4.036 -2.632 1.00 44.12 C ATOM 1149 CD ARG A 73 -12.980 5.196 -3.282 1.00 53.33 C ATOM 1150 NE ARG A 73 -12.282 5.685 -4.474 1.00 10.22 N ATOM 1151 CZ ARG A 73 -12.780 6.570 -5.334 1.00 73.52 C ATOM 1152 NH1 ARG A 73 -13.999 7.069 -5.155 1.00 22.53 N ATOM 1153 NH2 ARG A 73 -12.053 6.955 -6.371 1.00 34.24 N ATOM 0 H ARG A 73 -10.875 2.101 -0.160 1.00 10.10 H new ATOM 0 HA ARG A 73 -10.138 2.362 -2.225 1.00 64.32 H new ATOM 0 HB2 ARG A 73 -10.779 5.285 -1.703 1.00 10.03 H new ATOM 0 HB3 ARG A 73 -10.306 4.668 -3.274 1.00 10.03 H new ATOM 0 HG2 ARG A 73 -12.280 3.166 -3.288 1.00 44.12 H new ATOM 0 HG3 ARG A 73 -12.749 3.756 -1.706 1.00 44.12 H new ATOM 0 HD2 ARG A 73 -13.987 4.881 -3.555 1.00 53.33 H new ATOM 0 HD3 ARG A 73 -13.084 6.009 -2.563 1.00 53.33 H new ATOM 0 HE ARG A 73 -11.347 5.321 -4.658 1.00 10.22 H new ATOM 0 HH11 ARG A 73 -14.558 6.774 -4.355 1.00 22.53 H new ATOM 0 HH12 ARG A 73 -14.375 7.747 -5.818 1.00 22.53 H new ATOM 0 HH21 ARG A 73 -11.117 6.574 -6.507 1.00 34.24 H new ATOM 0 HH22 ARG A 73 -12.429 7.633 -7.034 1.00 34.24 H new ATOM 1167 N GLY A 74 -7.831 3.263 -0.580 1.00 61.33 N ATOM 1168 CA GLY A 74 -6.412 3.513 -0.467 1.00 32.43 C ATOM 1169 C GLY A 74 -6.083 4.927 -0.010 1.00 74.41 C ATOM 1170 O GLY A 74 -5.132 5.127 0.741 1.00 75.53 O ATOM 0 H GLY A 74 -8.246 2.799 0.228 1.00 61.33 H new ATOM 0 HA2 GLY A 74 -5.980 2.802 0.237 1.00 32.43 H new ATOM 0 HA3 GLY A 74 -5.940 3.332 -1.433 1.00 32.43 H new ATOM 1174 N ASP A 75 -6.869 5.892 -0.454 1.00 63.33 N ATOM 1175 CA ASP A 75 -6.624 7.306 -0.153 1.00 43.14 C ATOM 1176 C ASP A 75 -6.671 7.608 1.343 1.00 45.40 C ATOM 1177 O ASP A 75 -7.607 7.219 2.046 1.00 75.23 O ATOM 1178 CB ASP A 75 -7.624 8.194 -0.897 1.00 21.05 C ATOM 1179 CG ASP A 75 -7.499 9.661 -0.524 1.00 3.30 C ATOM 1180 OD1 ASP A 75 -6.397 10.218 -0.652 1.00 43.32 O ATOM 1181 OD2 ASP A 75 -8.516 10.267 -0.118 1.00 21.54 O ATOM 0 H ASP A 75 -7.693 5.727 -1.031 1.00 63.33 H new ATOM 0 HA ASP A 75 -5.613 7.527 -0.495 1.00 43.14 H new ATOM 0 HB2 ASP A 75 -7.473 8.083 -1.971 1.00 21.05 H new ATOM 0 HB3 ASP A 75 -8.637 7.854 -0.680 1.00 21.05 H new ATOM 1186 N LEU A 76 -5.638 8.288 1.819 1.00 30.13 N ATOM 1187 CA LEU A 76 -5.560 8.716 3.208 1.00 33.32 C ATOM 1188 C LEU A 76 -5.763 10.218 3.304 1.00 64.52 C ATOM 1189 O LEU A 76 -5.785 10.791 4.401 1.00 22.21 O ATOM 1190 CB LEU A 76 -4.200 8.349 3.811 1.00 63.14 C ATOM 1191 CG LEU A 76 -3.929 6.861 4.003 1.00 32.10 C ATOM 1192 CD1 LEU A 76 -2.506 6.639 4.487 1.00 52.13 C ATOM 1193 CD2 LEU A 76 -4.920 6.268 4.990 1.00 24.20 C ATOM 0 H LEU A 76 -4.832 8.558 1.255 1.00 30.13 H new ATOM 0 HA LEU A 76 -6.345 8.205 3.766 1.00 33.32 H new ATOM 0 HB2 LEU A 76 -3.419 8.760 3.171 1.00 63.14 H new ATOM 0 HB3 LEU A 76 -4.110 8.841 4.779 1.00 63.14 H new ATOM 0 HG LEU A 76 -4.050 6.360 3.043 1.00 32.10 H new ATOM 0 HD11 LEU A 76 -2.329 5.572 4.619 1.00 52.13 H new ATOM 0 HD12 LEU A 76 -1.806 7.035 3.752 1.00 52.13 H new ATOM 0 HD13 LEU A 76 -2.361 7.151 5.438 1.00 52.13 H new ATOM 0 HD21 LEU A 76 -4.715 5.205 5.117 1.00 24.20 H new ATOM 0 HD22 LEU A 76 -4.824 6.774 5.951 1.00 24.20 H new ATOM 0 HD23 LEU A 76 -5.934 6.399 4.611 1.00 24.20 H new ATOM 1205 N GLY A 77 -5.912 10.855 2.153 1.00 21.45 N ATOM 1206 CA GLY A 77 -6.064 12.284 2.119 1.00 54.30 C ATOM 1207 C GLY A 77 -4.746 12.980 2.346 1.00 15.23 C ATOM 1208 O GLY A 77 -3.699 12.333 2.396 1.00 75.24 O ATOM 0 H GLY A 77 -5.930 10.400 1.240 1.00 21.45 H new ATOM 0 HA2 GLY A 77 -6.476 12.585 1.156 1.00 54.30 H new ATOM 0 HA3 GLY A 77 -6.778 12.594 2.882 1.00 54.30 H new ATOM 1212 N ALA A 78 -4.783 14.285 2.476 1.00 74.23 N ATOM 1213 CA ALA A 78 -3.578 15.047 2.720 1.00 3.44 C ATOM 1214 C ALA A 78 -3.196 14.970 4.192 1.00 12.31 C ATOM 1215 O ALA A 78 -3.862 15.559 5.047 1.00 33.22 O ATOM 1216 CB ALA A 78 -3.771 16.493 2.287 1.00 1.32 C ATOM 0 H ALA A 78 -5.635 14.843 2.417 1.00 74.23 H new ATOM 0 HA ALA A 78 -2.766 14.620 2.132 1.00 3.44 H new ATOM 0 HB1 ALA A 78 -2.856 17.055 2.476 1.00 1.32 H new ATOM 0 HB2 ALA A 78 -4.003 16.526 1.223 1.00 1.32 H new ATOM 0 HB3 ALA A 78 -4.592 16.935 2.851 1.00 1.32 H new ATOM 1222 N PHE A 79 -2.147 14.229 4.488 1.00 1.40 N ATOM 1223 CA PHE A 79 -1.691 14.073 5.860 1.00 5.10 C ATOM 1224 C PHE A 79 -0.296 14.653 6.029 1.00 4.25 C ATOM 1225 O PHE A 79 0.434 14.824 5.051 1.00 42.10 O ATOM 1226 CB PHE A 79 -1.726 12.594 6.296 1.00 23.13 C ATOM 1227 CG PHE A 79 -0.890 11.664 5.450 1.00 21.40 C ATOM 1228 CD1 PHE A 79 0.441 11.425 5.762 1.00 63.23 C ATOM 1229 CD2 PHE A 79 -1.440 11.025 4.350 1.00 44.30 C ATOM 1230 CE1 PHE A 79 1.204 10.569 4.993 1.00 25.24 C ATOM 1231 CE2 PHE A 79 -0.680 10.170 3.578 1.00 33.11 C ATOM 1232 CZ PHE A 79 0.643 9.942 3.899 1.00 35.24 C ATOM 0 H PHE A 79 -1.592 13.724 3.798 1.00 1.40 H new ATOM 0 HA PHE A 79 -2.374 14.625 6.506 1.00 5.10 H new ATOM 0 HB2 PHE A 79 -1.386 12.526 7.329 1.00 23.13 H new ATOM 0 HB3 PHE A 79 -2.760 12.249 6.277 1.00 23.13 H new ATOM 0 HD1 PHE A 79 0.885 11.914 6.616 1.00 63.23 H new ATOM 0 HD2 PHE A 79 -2.475 11.198 4.094 1.00 44.30 H new ATOM 0 HE1 PHE A 79 2.238 10.390 5.247 1.00 25.24 H new ATOM 0 HE2 PHE A 79 -1.120 9.679 2.723 1.00 33.11 H new ATOM 0 HZ PHE A 79 1.238 9.274 3.295 1.00 35.24 H new ATOM 1242 N SER A 80 0.063 14.961 7.261 1.00 12.43 N ATOM 1243 CA SER A 80 1.355 15.538 7.545 1.00 41.41 C ATOM 1244 C SER A 80 2.279 14.502 8.182 1.00 32.31 C ATOM 1245 O SER A 80 1.845 13.406 8.547 1.00 4.22 O ATOM 1246 CB SER A 80 1.206 16.761 8.457 1.00 72.33 C ATOM 1247 OG SER A 80 2.393 17.544 8.462 1.00 65.44 O ATOM 0 H SER A 80 -0.527 14.819 8.081 1.00 12.43 H new ATOM 0 HA SER A 80 1.802 15.861 6.605 1.00 41.41 H new ATOM 0 HB2 SER A 80 0.367 17.370 8.120 1.00 72.33 H new ATOM 0 HB3 SER A 80 0.977 16.436 9.472 1.00 72.33 H new ATOM 0 HG SER A 80 2.710 17.663 7.542 1.00 65.44 H new ATOM 1253 N ARG A 81 3.545 14.862 8.318 1.00 13.41 N ATOM 1254 CA ARG A 81 4.547 13.970 8.873 1.00 3.54 C ATOM 1255 C ARG A 81 4.489 13.965 10.397 1.00 4.03 C ATOM 1256 O ARG A 81 4.140 14.971 11.023 1.00 60.52 O ATOM 1257 CB ARG A 81 5.945 14.382 8.398 1.00 51.00 C ATOM 1258 CG ARG A 81 6.379 15.760 8.875 1.00 72.32 C ATOM 1259 CD ARG A 81 7.762 16.118 8.363 1.00 51.53 C ATOM 1260 NE ARG A 81 8.228 17.398 8.901 1.00 44.44 N ATOM 1261 CZ ARG A 81 9.184 18.147 8.347 1.00 24.15 C ATOM 1262 NH1 ARG A 81 9.769 17.756 7.222 1.00 35.23 N ATOM 1263 NH2 ARG A 81 9.549 19.288 8.922 1.00 32.24 N ATOM 0 H ARG A 81 3.905 15.777 8.048 1.00 13.41 H new ATOM 0 HA ARG A 81 4.336 12.960 8.521 1.00 3.54 H new ATOM 0 HB2 ARG A 81 6.668 13.644 8.746 1.00 51.00 H new ATOM 0 HB3 ARG A 81 5.968 14.362 7.308 1.00 51.00 H new ATOM 0 HG2 ARG A 81 5.660 16.506 8.536 1.00 72.32 H new ATOM 0 HG3 ARG A 81 6.376 15.786 9.965 1.00 72.32 H new ATOM 0 HD2 ARG A 81 8.465 15.331 8.636 1.00 51.53 H new ATOM 0 HD3 ARG A 81 7.745 16.166 7.274 1.00 51.53 H new ATOM 0 HE ARG A 81 7.792 17.740 9.757 1.00 44.44 H new ATOM 0 HH11 ARG A 81 9.488 16.881 6.779 1.00 35.23 H new ATOM 0 HH12 ARG A 81 10.499 18.330 6.801 1.00 35.23 H new ATOM 0 HH21 ARG A 81 9.099 19.591 9.786 1.00 32.24 H new ATOM 0 HH22 ARG A 81 10.279 19.861 8.500 1.00 32.24 H new ATOM 1277 N GLY A 82 4.823 12.832 10.981 1.00 32.12 N ATOM 1278 CA GLY A 82 4.818 12.699 12.414 1.00 73.14 C ATOM 1279 C GLY A 82 3.582 11.986 12.898 1.00 31.51 C ATOM 1280 O GLY A 82 3.057 12.296 13.969 1.00 15.22 O ATOM 0 H GLY A 82 5.102 11.990 10.478 1.00 32.12 H new ATOM 0 HA2 GLY A 82 5.704 12.150 12.733 1.00 73.14 H new ATOM 0 HA3 GLY A 82 4.873 13.686 12.872 1.00 73.14 H new ATOM 1284 N GLN A 83 3.109 11.023 12.112 1.00 41.34 N ATOM 1285 CA GLN A 83 1.894 10.290 12.450 1.00 0.24 C ATOM 1286 C GLN A 83 1.998 8.808 12.097 1.00 30.35 C ATOM 1287 O GLN A 83 1.635 7.938 12.899 1.00 43.31 O ATOM 1288 CB GLN A 83 0.678 10.902 11.741 1.00 54.23 C ATOM 1289 CG GLN A 83 0.320 12.302 12.212 1.00 61.41 C ATOM 1290 CD GLN A 83 -0.925 12.852 11.542 1.00 23.13 C ATOM 1291 OE1 GLN A 83 -1.681 13.616 12.147 1.00 4.14 O ATOM 1292 NE2 GLN A 83 -1.142 12.485 10.292 1.00 40.20 N ATOM 0 H GLN A 83 3.548 10.733 11.238 1.00 41.34 H new ATOM 0 HA GLN A 83 1.767 10.371 13.530 1.00 0.24 H new ATOM 0 HB2 GLN A 83 0.873 10.931 10.669 1.00 54.23 H new ATOM 0 HB3 GLN A 83 -0.182 10.250 11.891 1.00 54.23 H new ATOM 0 HG2 GLN A 83 0.169 12.289 13.291 1.00 61.41 H new ATOM 0 HG3 GLN A 83 1.158 12.971 12.015 1.00 61.41 H new ATOM 0 HE21 GLN A 83 -0.493 11.851 9.827 1.00 40.20 H new ATOM 0 HE22 GLN A 83 -1.959 12.836 9.792 1.00 40.20 H new ATOM 1301 N MET A 84 2.493 8.516 10.910 1.00 65.44 N ATOM 1302 CA MET A 84 2.573 7.140 10.441 1.00 41.12 C ATOM 1303 C MET A 84 3.919 6.513 10.770 1.00 34.14 C ATOM 1304 O MET A 84 4.800 7.162 11.344 1.00 23.14 O ATOM 1305 CB MET A 84 2.311 7.059 8.926 1.00 31.44 C ATOM 1306 CG MET A 84 0.855 7.273 8.515 1.00 24.40 C ATOM 1307 SD MET A 84 0.252 8.944 8.839 1.00 33.10 S ATOM 1308 CE MET A 84 -1.423 8.821 8.217 1.00 41.44 C ATOM 0 H MET A 84 2.846 9.210 10.251 1.00 65.44 H new ATOM 0 HA MET A 84 1.799 6.577 10.963 1.00 41.12 H new ATOM 0 HB2 MET A 84 2.929 7.804 8.424 1.00 31.44 H new ATOM 0 HB3 MET A 84 2.635 6.082 8.567 1.00 31.44 H new ATOM 0 HG2 MET A 84 0.751 7.058 7.452 1.00 24.40 H new ATOM 0 HG3 MET A 84 0.227 6.559 9.048 1.00 24.40 H new ATOM 0 HE1 MET A 84 -1.930 9.777 8.346 1.00 41.44 H new ATOM 0 HE2 MET A 84 -1.400 8.562 7.158 1.00 41.44 H new ATOM 0 HE3 MET A 84 -1.960 8.048 8.768 1.00 41.44 H new ATOM 1318 N GLN A 85 4.065 5.239 10.420 1.00 62.41 N ATOM 1319 CA GLN A 85 5.309 4.520 10.635 1.00 11.41 C ATOM 1320 C GLN A 85 6.362 5.056 9.683 1.00 21.01 C ATOM 1321 O GLN A 85 6.060 5.336 8.534 1.00 2.33 O ATOM 1322 CB GLN A 85 5.101 3.019 10.405 1.00 71.24 C ATOM 1323 CG GLN A 85 4.010 2.413 11.280 1.00 2.13 C ATOM 1324 CD GLN A 85 4.331 2.470 12.769 1.00 22.43 C ATOM 1325 OE1 GLN A 85 3.437 2.615 13.600 1.00 71.12 O ATOM 1326 NE2 GLN A 85 5.593 2.330 13.113 1.00 62.30 N ATOM 0 H GLN A 85 3.330 4.683 9.983 1.00 62.41 H new ATOM 0 HA GLN A 85 5.640 4.666 11.663 1.00 11.41 H new ATOM 0 HB2 GLN A 85 4.850 2.852 9.358 1.00 71.24 H new ATOM 0 HB3 GLN A 85 6.039 2.497 10.595 1.00 71.24 H new ATOM 0 HG2 GLN A 85 3.073 2.939 11.097 1.00 2.13 H new ATOM 0 HG3 GLN A 85 3.855 1.374 10.988 1.00 2.13 H new ATOM 0 HE21 GLN A 85 6.307 2.212 12.395 1.00 62.30 H new ATOM 0 HE22 GLN A 85 5.857 2.340 14.098 1.00 62.30 H new ATOM 1335 N LYS A 86 7.587 5.183 10.162 1.00 32.50 N ATOM 1336 CA LYS A 86 8.681 5.773 9.377 1.00 31.30 C ATOM 1337 C LYS A 86 8.863 5.166 7.968 1.00 31.13 C ATOM 1338 O LYS A 86 8.923 5.914 6.999 1.00 14.54 O ATOM 1339 CB LYS A 86 9.994 5.770 10.159 1.00 4.51 C ATOM 1340 CG LYS A 86 10.321 7.116 10.795 1.00 75.13 C ATOM 1341 CD LYS A 86 9.206 7.598 11.712 1.00 54.04 C ATOM 1342 CE LYS A 86 9.452 9.027 12.179 1.00 13.23 C ATOM 1343 NZ LYS A 86 9.390 9.998 11.052 1.00 72.22 N ATOM 0 H LYS A 86 7.860 4.885 11.099 1.00 32.50 H new ATOM 0 HA LYS A 86 8.379 6.806 9.204 1.00 31.30 H new ATOM 0 HB2 LYS A 86 9.942 5.011 10.939 1.00 4.51 H new ATOM 0 HB3 LYS A 86 10.806 5.485 9.490 1.00 4.51 H new ATOM 0 HG2 LYS A 86 11.248 7.033 11.363 1.00 75.13 H new ATOM 0 HG3 LYS A 86 10.492 7.855 10.012 1.00 75.13 H new ATOM 0 HD2 LYS A 86 8.252 7.544 11.188 1.00 54.04 H new ATOM 0 HD3 LYS A 86 9.133 6.938 12.577 1.00 54.04 H new ATOM 0 HE2 LYS A 86 8.710 9.296 12.931 1.00 13.23 H new ATOM 0 HE3 LYS A 86 10.429 9.089 12.658 1.00 13.23 H new ATOM 0 HZ1 LYS A 86 9.495 10.965 11.421 1.00 72.22 H new ATOM 0 HZ2 LYS A 86 10.158 9.799 10.379 1.00 72.22 H new ATOM 0 HZ3 LYS A 86 8.474 9.910 10.568 1.00 72.22 H new ATOM 1357 N PRO A 87 8.944 3.813 7.819 1.00 73.31 N ATOM 1358 CA PRO A 87 9.109 3.180 6.494 1.00 1.34 C ATOM 1359 C PRO A 87 7.992 3.570 5.517 1.00 50.32 C ATOM 1360 O PRO A 87 8.184 3.570 4.307 1.00 42.24 O ATOM 1361 CB PRO A 87 9.054 1.671 6.798 1.00 65.32 C ATOM 1362 CG PRO A 87 8.474 1.570 8.168 1.00 55.30 C ATOM 1363 CD PRO A 87 8.901 2.810 8.891 1.00 2.51 C ATOM 0 HA PRO A 87 10.034 3.494 6.011 1.00 1.34 H new ATOM 0 HB2 PRO A 87 8.437 1.145 6.069 1.00 65.32 H new ATOM 0 HB3 PRO A 87 10.047 1.224 6.757 1.00 65.32 H new ATOM 0 HG2 PRO A 87 7.387 1.497 8.127 1.00 55.30 H new ATOM 0 HG3 PRO A 87 8.834 0.677 8.679 1.00 55.30 H new ATOM 0 HD2 PRO A 87 8.195 3.085 9.674 1.00 2.51 H new ATOM 0 HD3 PRO A 87 9.873 2.686 9.368 1.00 2.51 H new ATOM 1371 N PHE A 88 6.840 3.916 6.063 1.00 62.14 N ATOM 1372 CA PHE A 88 5.694 4.317 5.266 1.00 22.43 C ATOM 1373 C PHE A 88 5.686 5.837 5.085 1.00 54.33 C ATOM 1374 O PHE A 88 5.602 6.347 3.968 1.00 42.12 O ATOM 1375 CB PHE A 88 4.399 3.856 5.961 1.00 15.21 C ATOM 1376 CG PHE A 88 3.130 4.236 5.245 1.00 41.14 C ATOM 1377 CD1 PHE A 88 2.513 5.453 5.496 1.00 44.45 C ATOM 1378 CD2 PHE A 88 2.554 3.377 4.326 1.00 23.55 C ATOM 1379 CE1 PHE A 88 1.350 5.805 4.845 1.00 3.12 C ATOM 1380 CE2 PHE A 88 1.388 3.724 3.671 1.00 20.11 C ATOM 1381 CZ PHE A 88 0.786 4.939 3.932 1.00 52.31 C ATOM 0 H PHE A 88 6.672 3.927 7.069 1.00 62.14 H new ATOM 0 HA PHE A 88 5.757 3.851 4.283 1.00 22.43 H new ATOM 0 HB2 PHE A 88 4.428 2.772 6.070 1.00 15.21 H new ATOM 0 HB3 PHE A 88 4.373 4.277 6.966 1.00 15.21 H new ATOM 0 HD1 PHE A 88 2.950 6.134 6.211 1.00 44.45 H new ATOM 0 HD2 PHE A 88 3.021 2.425 4.118 1.00 23.55 H new ATOM 0 HE1 PHE A 88 0.882 6.757 5.049 1.00 3.12 H new ATOM 0 HE2 PHE A 88 0.948 3.045 2.955 1.00 20.11 H new ATOM 0 HZ PHE A 88 -0.126 5.211 3.421 1.00 52.31 H new ATOM 1391 N GLU A 89 5.800 6.536 6.199 1.00 42.42 N ATOM 1392 CA GLU A 89 5.768 7.991 6.244 1.00 41.11 C ATOM 1393 C GLU A 89 6.882 8.603 5.399 1.00 3.52 C ATOM 1394 O GLU A 89 6.625 9.417 4.510 1.00 45.21 O ATOM 1395 CB GLU A 89 5.887 8.447 7.698 1.00 0.12 C ATOM 1396 CG GLU A 89 5.809 9.944 7.906 1.00 0.11 C ATOM 1397 CD GLU A 89 5.799 10.307 9.368 1.00 45.23 C ATOM 1398 OE1 GLU A 89 4.708 10.333 9.970 1.00 44.45 O ATOM 1399 OE2 GLU A 89 6.888 10.567 9.940 1.00 33.55 O ATOM 0 H GLU A 89 5.920 6.104 7.115 1.00 42.42 H new ATOM 0 HA GLU A 89 4.821 8.333 5.826 1.00 41.11 H new ATOM 0 HB2 GLU A 89 5.095 7.973 8.278 1.00 0.12 H new ATOM 0 HB3 GLU A 89 6.835 8.088 8.099 1.00 0.12 H new ATOM 0 HG2 GLU A 89 6.658 10.423 7.419 1.00 0.11 H new ATOM 0 HG3 GLU A 89 4.908 10.331 7.430 1.00 0.11 H new ATOM 1406 N ASP A 90 8.111 8.189 5.659 1.00 24.02 N ATOM 1407 CA ASP A 90 9.264 8.715 4.936 1.00 2.22 C ATOM 1408 C ASP A 90 9.127 8.460 3.448 1.00 71.05 C ATOM 1409 O ASP A 90 9.408 9.334 2.633 1.00 63.14 O ATOM 1410 CB ASP A 90 10.559 8.092 5.450 1.00 53.10 C ATOM 1411 CG ASP A 90 11.778 8.575 4.692 1.00 13.03 C ATOM 1412 OD1 ASP A 90 12.274 9.677 4.993 1.00 51.23 O ATOM 1413 OD2 ASP A 90 12.248 7.856 3.793 1.00 23.34 O ATOM 0 H ASP A 90 8.339 7.490 6.366 1.00 24.02 H new ATOM 0 HA ASP A 90 9.301 9.791 5.107 1.00 2.22 H new ATOM 0 HB2 ASP A 90 10.676 8.328 6.508 1.00 53.10 H new ATOM 0 HB3 ASP A 90 10.493 7.007 5.371 1.00 53.10 H new ATOM 1418 N ALA A 91 8.668 7.266 3.106 1.00 55.24 N ATOM 1419 CA ALA A 91 8.501 6.878 1.716 1.00 52.42 C ATOM 1420 C ALA A 91 7.414 7.705 1.036 1.00 11.33 C ATOM 1421 O ALA A 91 7.595 8.163 -0.085 1.00 25.34 O ATOM 1422 CB ALA A 91 8.187 5.396 1.609 1.00 23.33 C ATOM 0 H ALA A 91 8.403 6.546 3.778 1.00 55.24 H new ATOM 0 HA ALA A 91 9.441 7.073 1.201 1.00 52.42 H new ATOM 0 HB1 ALA A 91 8.065 5.125 0.560 1.00 23.33 H new ATOM 0 HB2 ALA A 91 9.005 4.819 2.041 1.00 23.33 H new ATOM 0 HB3 ALA A 91 7.265 5.179 2.149 1.00 23.33 H new ATOM 1428 N SER A 92 6.293 7.904 1.726 1.00 74.25 N ATOM 1429 CA SER A 92 5.185 8.667 1.164 1.00 3.44 C ATOM 1430 C SER A 92 5.587 10.118 0.874 1.00 20.40 C ATOM 1431 O SER A 92 5.166 10.702 -0.124 1.00 33.32 O ATOM 1432 CB SER A 92 3.948 8.603 2.080 1.00 14.21 C ATOM 1433 OG SER A 92 4.226 9.088 3.385 1.00 42.41 O ATOM 0 H SER A 92 6.130 7.550 2.668 1.00 74.25 H new ATOM 0 HA SER A 92 4.921 8.208 0.211 1.00 3.44 H new ATOM 0 HB2 SER A 92 3.141 9.189 1.640 1.00 14.21 H new ATOM 0 HB3 SER A 92 3.597 7.573 2.143 1.00 14.21 H new ATOM 0 HG SER A 92 5.190 9.238 3.480 1.00 42.41 H new ATOM 1439 N PHE A 93 6.426 10.685 1.737 1.00 55.33 N ATOM 1440 CA PHE A 93 6.897 12.051 1.549 1.00 14.40 C ATOM 1441 C PHE A 93 8.068 12.103 0.574 1.00 3.30 C ATOM 1442 O PHE A 93 8.390 13.160 0.036 1.00 30.44 O ATOM 1443 CB PHE A 93 7.286 12.687 2.887 1.00 20.34 C ATOM 1444 CG PHE A 93 6.106 13.122 3.710 1.00 43.22 C ATOM 1445 CD1 PHE A 93 5.471 12.237 4.563 1.00 13.02 C ATOM 1446 CD2 PHE A 93 5.631 14.419 3.624 1.00 11.24 C ATOM 1447 CE1 PHE A 93 4.385 12.637 5.314 1.00 53.24 C ATOM 1448 CE2 PHE A 93 4.544 14.826 4.371 1.00 70.32 C ATOM 1449 CZ PHE A 93 3.922 13.933 5.217 1.00 62.14 C ATOM 0 H PHE A 93 6.791 10.221 2.569 1.00 55.33 H new ATOM 0 HA PHE A 93 6.075 12.625 1.122 1.00 14.40 H new ATOM 0 HB2 PHE A 93 7.876 11.973 3.462 1.00 20.34 H new ATOM 0 HB3 PHE A 93 7.925 13.550 2.698 1.00 20.34 H new ATOM 0 HD1 PHE A 93 5.830 11.221 4.642 1.00 13.02 H new ATOM 0 HD2 PHE A 93 6.117 15.122 2.964 1.00 11.24 H new ATOM 0 HE1 PHE A 93 3.898 11.937 5.977 1.00 53.24 H new ATOM 0 HE2 PHE A 93 4.182 15.841 4.293 1.00 70.32 H new ATOM 0 HZ PHE A 93 3.072 14.248 5.804 1.00 62.14 H new ATOM 1459 N ALA A 94 8.700 10.958 0.348 1.00 23.05 N ATOM 1460 CA ALA A 94 9.820 10.876 -0.582 1.00 52.42 C ATOM 1461 C ALA A 94 9.316 10.791 -2.014 1.00 1.13 C ATOM 1462 O ALA A 94 10.047 11.084 -2.966 1.00 45.23 O ATOM 1463 CB ALA A 94 10.698 9.676 -0.257 1.00 34.22 C ATOM 0 H ALA A 94 8.457 10.074 0.795 1.00 23.05 H new ATOM 0 HA ALA A 94 10.420 11.780 -0.478 1.00 52.42 H new ATOM 0 HB1 ALA A 94 11.528 9.631 -0.962 1.00 34.22 H new ATOM 0 HB2 ALA A 94 11.087 9.774 0.757 1.00 34.22 H new ATOM 0 HB3 ALA A 94 10.108 8.762 -0.333 1.00 34.22 H new ATOM 1469 N LEU A 95 8.062 10.392 -2.160 1.00 74.40 N ATOM 1470 CA LEU A 95 7.437 10.276 -3.465 1.00 52.41 C ATOM 1471 C LEU A 95 7.009 11.644 -3.971 1.00 34.44 C ATOM 1472 O LEU A 95 6.914 12.595 -3.201 1.00 1.33 O ATOM 1473 CB LEU A 95 6.219 9.353 -3.399 1.00 70.41 C ATOM 1474 CG LEU A 95 6.477 7.927 -2.912 1.00 5.31 C ATOM 1475 CD1 LEU A 95 5.187 7.131 -2.914 1.00 75.30 C ATOM 1476 CD2 LEU A 95 7.533 7.244 -3.770 1.00 73.33 C ATOM 0 H LEU A 95 7.453 10.141 -1.381 1.00 74.40 H new ATOM 0 HA LEU A 95 8.168 9.851 -4.153 1.00 52.41 H new ATOM 0 HB2 LEU A 95 5.478 9.810 -2.743 1.00 70.41 H new ATOM 0 HB3 LEU A 95 5.775 9.300 -4.393 1.00 70.41 H new ATOM 0 HG LEU A 95 6.854 7.974 -1.890 1.00 5.31 H new ATOM 0 HD11 LEU A 95 5.384 6.117 -2.565 1.00 75.30 H new ATOM 0 HD12 LEU A 95 4.464 7.608 -2.252 1.00 75.30 H new ATOM 0 HD13 LEU A 95 4.784 7.094 -3.926 1.00 75.30 H new ATOM 0 HD21 LEU A 95 7.699 6.231 -3.404 1.00 73.33 H new ATOM 0 HD22 LEU A 95 7.192 7.205 -4.804 1.00 73.33 H new ATOM 0 HD23 LEU A 95 8.465 7.807 -3.716 1.00 73.33 H new ATOM 1488 N ARG A 96 6.741 11.736 -5.257 1.00 51.24 N ATOM 1489 CA ARG A 96 6.324 12.990 -5.865 1.00 52.14 C ATOM 1490 C ARG A 96 4.839 12.930 -6.188 1.00 12.03 C ATOM 1491 O ARG A 96 4.203 11.892 -6.001 1.00 31.54 O ATOM 1492 CB ARG A 96 7.123 13.278 -7.155 1.00 41.15 C ATOM 1493 CG ARG A 96 8.636 13.181 -7.000 1.00 53.21 C ATOM 1494 CD ARG A 96 9.118 11.749 -7.169 1.00 22.40 C ATOM 1495 NE ARG A 96 10.489 11.570 -6.713 1.00 74.43 N ATOM 1496 CZ ARG A 96 11.105 10.393 -6.629 1.00 44.30 C ATOM 1497 NH1 ARG A 96 10.514 9.288 -7.085 1.00 52.55 N ATOM 1498 NH2 ARG A 96 12.322 10.326 -6.119 1.00 62.52 N ATOM 0 H ARG A 96 6.804 10.954 -5.908 1.00 51.24 H new ATOM 0 HA ARG A 96 6.518 13.795 -5.156 1.00 52.14 H new ATOM 0 HB2 ARG A 96 6.805 12.578 -7.928 1.00 41.15 H new ATOM 0 HB3 ARG A 96 6.871 14.278 -7.507 1.00 41.15 H new ATOM 0 HG2 ARG A 96 9.121 13.820 -7.738 1.00 53.21 H new ATOM 0 HG3 ARG A 96 8.928 13.552 -6.017 1.00 53.21 H new ATOM 0 HD2 ARG A 96 8.462 11.079 -6.613 1.00 22.40 H new ATOM 0 HD3 ARG A 96 9.047 11.466 -8.219 1.00 22.40 H new ATOM 0 HE ARG A 96 11.012 12.402 -6.440 1.00 74.43 H new ATOM 0 HH11 ARG A 96 9.584 9.342 -7.501 1.00 52.55 H new ATOM 0 HH12 ARG A 96 10.992 8.389 -7.018 1.00 52.55 H new ATOM 0 HH21 ARG A 96 12.785 11.174 -5.792 1.00 62.52 H new ATOM 0 HH22 ARG A 96 12.798 9.426 -6.052 1.00 62.52 H new ATOM 1512 N THR A 97 4.295 14.032 -6.660 1.00 4.15 N ATOM 1513 CA THR A 97 2.902 14.086 -7.051 1.00 44.12 C ATOM 1514 C THR A 97 2.652 13.161 -8.252 1.00 12.43 C ATOM 1515 O THR A 97 3.092 13.441 -9.375 1.00 51.20 O ATOM 1516 CB THR A 97 2.498 15.535 -7.393 1.00 71.11 C ATOM 1517 OG1 THR A 97 2.706 16.369 -6.243 1.00 52.13 O ATOM 1518 CG2 THR A 97 1.043 15.615 -7.812 1.00 41.24 C ATOM 0 H THR A 97 4.801 14.909 -6.783 1.00 4.15 H new ATOM 0 HA THR A 97 2.290 13.745 -6.216 1.00 44.12 H new ATOM 0 HB THR A 97 3.114 15.876 -8.225 1.00 71.11 H new ATOM 0 HG1 THR A 97 1.955 16.264 -5.623 1.00 52.13 H new ATOM 0 HG21 THR A 97 0.788 16.649 -8.047 1.00 41.24 H new ATOM 0 HG22 THR A 97 0.883 14.993 -8.693 1.00 41.24 H new ATOM 0 HG23 THR A 97 0.410 15.261 -6.998 1.00 41.24 H new ATOM 1526 N GLY A 98 1.971 12.050 -8.001 1.00 74.51 N ATOM 1527 CA GLY A 98 1.705 11.082 -9.045 1.00 24.21 C ATOM 1528 C GLY A 98 2.788 10.022 -9.109 1.00 61.32 C ATOM 1529 O GLY A 98 3.137 9.543 -10.187 1.00 51.34 O ATOM 0 H GLY A 98 1.596 11.802 -7.085 1.00 74.51 H new ATOM 0 HA2 GLY A 98 0.740 10.608 -8.866 1.00 24.21 H new ATOM 0 HA3 GLY A 98 1.636 11.592 -10.006 1.00 24.21 H new ATOM 1533 N GLU A 99 3.314 9.657 -7.952 1.00 41.34 N ATOM 1534 CA GLU A 99 4.399 8.687 -7.869 1.00 21.14 C ATOM 1535 C GLU A 99 4.008 7.506 -6.978 1.00 71.44 C ATOM 1536 O GLU A 99 3.239 7.662 -6.030 1.00 13.13 O ATOM 1537 CB GLU A 99 5.651 9.369 -7.309 1.00 52.23 C ATOM 1538 CG GLU A 99 6.873 8.475 -7.227 1.00 2.32 C ATOM 1539 CD GLU A 99 7.443 8.151 -8.582 1.00 51.23 C ATOM 1540 OE1 GLU A 99 6.872 7.296 -9.285 1.00 51.44 O ATOM 1541 OE2 GLU A 99 8.463 8.761 -8.953 1.00 13.14 O ATOM 0 H GLU A 99 3.006 10.019 -7.050 1.00 41.34 H new ATOM 0 HA GLU A 99 4.604 8.306 -8.870 1.00 21.14 H new ATOM 0 HB2 GLU A 99 5.889 10.231 -7.932 1.00 52.23 H new ATOM 0 HB3 GLU A 99 5.427 9.748 -6.312 1.00 52.23 H new ATOM 0 HG2 GLU A 99 7.637 8.964 -6.623 1.00 2.32 H new ATOM 0 HG3 GLU A 99 6.608 7.549 -6.717 1.00 2.32 H new ATOM 1548 N MET A 100 4.548 6.337 -7.286 1.00 72.14 N ATOM 1549 CA MET A 100 4.271 5.133 -6.516 1.00 44.21 C ATOM 1550 C MET A 100 5.576 4.501 -6.035 1.00 62.12 C ATOM 1551 O MET A 100 6.543 4.403 -6.792 1.00 62.31 O ATOM 1552 CB MET A 100 3.472 4.133 -7.361 1.00 3.11 C ATOM 1553 CG MET A 100 3.107 2.850 -6.627 1.00 31.21 C ATOM 1554 SD MET A 100 2.076 1.746 -7.615 1.00 43.24 S ATOM 1555 CE MET A 100 3.124 1.485 -9.043 1.00 34.34 C ATOM 0 H MET A 100 5.185 6.196 -8.070 1.00 72.14 H new ATOM 0 HA MET A 100 3.675 5.405 -5.645 1.00 44.21 H new ATOM 0 HB2 MET A 100 2.557 4.615 -7.705 1.00 3.11 H new ATOM 0 HB3 MET A 100 4.052 3.879 -8.248 1.00 3.11 H new ATOM 0 HG2 MET A 100 4.020 2.328 -6.342 1.00 31.21 H new ATOM 0 HG3 MET A 100 2.582 3.101 -5.705 1.00 31.21 H new ATOM 0 HE1 MET A 100 2.688 0.714 -9.678 1.00 34.34 H new ATOM 0 HE2 MET A 100 3.209 2.414 -9.607 1.00 34.34 H new ATOM 0 HE3 MET A 100 4.114 1.168 -8.715 1.00 34.34 H new ATOM 1565 N SER A 101 5.601 4.082 -4.777 1.00 12.21 N ATOM 1566 CA SER A 101 6.794 3.492 -4.184 1.00 31.14 C ATOM 1567 C SER A 101 6.995 2.046 -4.639 1.00 52.12 C ATOM 1568 O SER A 101 7.971 1.722 -5.328 1.00 12.42 O ATOM 1569 CB SER A 101 6.700 3.556 -2.653 1.00 75.42 C ATOM 1570 OG SER A 101 5.493 2.956 -2.188 1.00 1.42 O ATOM 0 H SER A 101 4.803 4.140 -4.144 1.00 12.21 H new ATOM 0 HA SER A 101 7.656 4.067 -4.521 1.00 31.14 H new ATOM 0 HB2 SER A 101 7.557 3.047 -2.211 1.00 75.42 H new ATOM 0 HB3 SER A 101 6.743 4.595 -2.326 1.00 75.42 H new ATOM 0 HG SER A 101 5.522 2.878 -1.212 1.00 1.42 H new ATOM 1576 N GLY A 102 6.075 1.194 -4.255 1.00 70.44 N ATOM 1577 CA GLY A 102 6.166 -0.204 -4.580 1.00 32.00 C ATOM 1578 C GLY A 102 5.978 -1.058 -3.348 1.00 51.20 C ATOM 1579 O GLY A 102 5.173 -0.714 -2.487 1.00 11.12 O ATOM 0 H GLY A 102 5.250 1.450 -3.713 1.00 70.44 H new ATOM 0 HA2 GLY A 102 5.410 -0.459 -5.323 1.00 32.00 H new ATOM 0 HA3 GLY A 102 7.137 -0.415 -5.029 1.00 32.00 H new ATOM 1583 N PRO A 103 6.711 -2.172 -3.226 1.00 30.22 N ATOM 1584 CA PRO A 103 6.614 -3.058 -2.070 1.00 3.12 C ATOM 1585 C PRO A 103 7.348 -2.504 -0.842 1.00 61.32 C ATOM 1586 O PRO A 103 8.571 -2.604 -0.742 1.00 75.03 O ATOM 1587 CB PRO A 103 7.287 -4.366 -2.546 1.00 35.41 C ATOM 1588 CG PRO A 103 7.625 -4.150 -3.991 1.00 54.44 C ATOM 1589 CD PRO A 103 7.679 -2.666 -4.202 1.00 53.15 C ATOM 0 HA PRO A 103 5.579 -3.187 -1.754 1.00 3.12 H new ATOM 0 HB2 PRO A 103 8.183 -4.579 -1.963 1.00 35.41 H new ATOM 0 HB3 PRO A 103 6.617 -5.217 -2.424 1.00 35.41 H new ATOM 0 HG2 PRO A 103 8.581 -4.611 -4.238 1.00 54.44 H new ATOM 0 HG3 PRO A 103 6.874 -4.606 -4.637 1.00 54.44 H new ATOM 0 HD2 PRO A 103 8.677 -2.267 -4.022 1.00 53.15 H new ATOM 0 HD3 PRO A 103 7.405 -2.391 -5.220 1.00 53.15 H new ATOM 1597 N VAL A 104 6.603 -1.899 0.067 1.00 65.12 N ATOM 1598 CA VAL A 104 7.177 -1.370 1.297 1.00 32.45 C ATOM 1599 C VAL A 104 6.831 -2.272 2.481 1.00 51.43 C ATOM 1600 O VAL A 104 5.665 -2.403 2.854 1.00 4.42 O ATOM 1601 CB VAL A 104 6.680 0.070 1.587 1.00 52.54 C ATOM 1602 CG1 VAL A 104 7.311 0.614 2.862 1.00 51.32 C ATOM 1603 CG2 VAL A 104 6.978 0.988 0.410 1.00 23.24 C ATOM 0 H VAL A 104 5.596 -1.761 -0.022 1.00 65.12 H new ATOM 0 HA VAL A 104 8.258 -1.342 1.162 1.00 32.45 H new ATOM 0 HB VAL A 104 5.600 0.033 1.730 1.00 52.54 H new ATOM 0 HG11 VAL A 104 6.948 1.625 3.045 1.00 51.32 H new ATOM 0 HG12 VAL A 104 7.042 -0.026 3.703 1.00 51.32 H new ATOM 0 HG13 VAL A 104 8.395 0.633 2.752 1.00 51.32 H new ATOM 0 HG21 VAL A 104 6.621 1.994 0.633 1.00 23.24 H new ATOM 0 HG22 VAL A 104 8.053 1.015 0.233 1.00 23.24 H new ATOM 0 HG23 VAL A 104 6.473 0.614 -0.480 1.00 23.24 H new ATOM 1613 N PHE A 105 7.834 -2.895 3.055 1.00 55.32 N ATOM 1614 CA PHE A 105 7.637 -3.788 4.190 1.00 52.24 C ATOM 1615 C PHE A 105 7.596 -2.991 5.492 1.00 53.14 C ATOM 1616 O PHE A 105 8.241 -1.943 5.604 1.00 34.24 O ATOM 1617 CB PHE A 105 8.760 -4.825 4.247 1.00 2.04 C ATOM 1618 CG PHE A 105 8.865 -5.687 3.016 1.00 51.22 C ATOM 1619 CD1 PHE A 105 8.165 -6.878 2.926 1.00 41.45 C ATOM 1620 CD2 PHE A 105 9.671 -5.307 1.952 1.00 51.23 C ATOM 1621 CE1 PHE A 105 8.264 -7.673 1.801 1.00 72.20 C ATOM 1622 CE2 PHE A 105 9.774 -6.098 0.825 1.00 44.52 C ATOM 1623 CZ PHE A 105 9.069 -7.282 0.749 1.00 34.35 C ATOM 0 H PHE A 105 8.805 -2.803 2.757 1.00 55.32 H new ATOM 0 HA PHE A 105 6.685 -4.304 4.064 1.00 52.24 H new ATOM 0 HB2 PHE A 105 9.708 -4.310 4.398 1.00 2.04 H new ATOM 0 HB3 PHE A 105 8.604 -5.466 5.114 1.00 2.04 H new ATOM 0 HD1 PHE A 105 7.534 -7.189 3.745 1.00 41.45 H new ATOM 0 HD2 PHE A 105 10.224 -4.381 2.006 1.00 51.23 H new ATOM 0 HE1 PHE A 105 7.712 -8.600 1.744 1.00 72.20 H new ATOM 0 HE2 PHE A 105 10.405 -5.791 0.004 1.00 44.52 H new ATOM 0 HZ PHE A 105 9.147 -7.902 -0.132 1.00 34.35 H new ATOM 1633 N THR A 106 6.832 -3.472 6.472 1.00 14.33 N ATOM 1634 CA THR A 106 6.723 -2.785 7.757 1.00 41.42 C ATOM 1635 C THR A 106 6.380 -3.761 8.901 1.00 53.24 C ATOM 1636 O THR A 106 7.245 -4.112 9.705 1.00 34.44 O ATOM 1637 CB THR A 106 5.670 -1.649 7.711 1.00 40.44 C ATOM 1638 OG1 THR A 106 5.901 -0.815 6.565 1.00 61.23 O ATOM 1639 CG2 THR A 106 5.746 -0.795 8.973 1.00 73.11 C ATOM 0 H THR A 106 6.283 -4.329 6.401 1.00 14.33 H new ATOM 0 HA THR A 106 7.702 -2.348 7.955 1.00 41.42 H new ATOM 0 HB THR A 106 4.681 -2.102 7.646 1.00 40.44 H new ATOM 0 HG1 THR A 106 5.231 -0.100 6.541 1.00 61.23 H new ATOM 0 HG21 THR A 106 4.999 -0.003 8.922 1.00 73.11 H new ATOM 0 HG22 THR A 106 5.555 -1.418 9.846 1.00 73.11 H new ATOM 0 HG23 THR A 106 6.739 -0.353 9.054 1.00 73.11 H new ATOM 1647 N ASP A 107 5.119 -4.199 8.969 1.00 45.44 N ATOM 1648 CA ASP A 107 4.683 -5.116 10.031 1.00 64.44 C ATOM 1649 C ASP A 107 4.139 -6.406 9.444 1.00 12.15 C ATOM 1650 O ASP A 107 2.918 -6.567 9.305 1.00 41.44 O ATOM 1651 CB ASP A 107 3.616 -4.473 10.937 1.00 20.14 C ATOM 1652 CG ASP A 107 4.127 -3.285 11.720 1.00 13.53 C ATOM 1653 OD1 ASP A 107 4.996 -3.472 12.595 1.00 71.44 O ATOM 1654 OD2 ASP A 107 3.649 -2.152 11.475 1.00 72.43 O ATOM 0 H ASP A 107 4.387 -3.937 8.309 1.00 45.44 H new ATOM 0 HA ASP A 107 5.561 -5.339 10.638 1.00 64.44 H new ATOM 0 HB2 ASP A 107 2.772 -4.158 10.324 1.00 20.14 H new ATOM 0 HB3 ASP A 107 3.242 -5.223 11.633 1.00 20.14 H new ATOM 1659 N SER A 108 5.051 -7.306 9.076 1.00 24.15 N ATOM 1660 CA SER A 108 4.725 -8.616 8.478 1.00 13.41 C ATOM 1661 C SER A 108 3.769 -8.487 7.276 1.00 63.33 C ATOM 1662 O SER A 108 3.038 -9.425 6.941 1.00 5.13 O ATOM 1663 CB SER A 108 4.161 -9.591 9.536 1.00 43.12 C ATOM 1664 OG SER A 108 2.968 -9.096 10.141 1.00 63.11 O ATOM 0 H SER A 108 6.053 -7.150 9.183 1.00 24.15 H new ATOM 0 HA SER A 108 5.659 -9.031 8.100 1.00 13.41 H new ATOM 0 HB2 SER A 108 3.957 -10.554 9.068 1.00 43.12 H new ATOM 0 HB3 SER A 108 4.913 -9.764 10.306 1.00 43.12 H new ATOM 0 HG SER A 108 2.653 -8.310 9.648 1.00 63.11 H new ATOM 1670 N GLY A 109 3.816 -7.343 6.612 1.00 24.11 N ATOM 1671 CA GLY A 109 2.941 -7.091 5.490 1.00 23.34 C ATOM 1672 C GLY A 109 3.534 -6.081 4.540 1.00 63.42 C ATOM 1673 O GLY A 109 4.374 -5.267 4.938 1.00 61.54 O ATOM 0 H GLY A 109 4.452 -6.578 6.834 1.00 24.11 H new ATOM 0 HA2 GLY A 109 2.752 -8.024 4.959 1.00 23.34 H new ATOM 0 HA3 GLY A 109 1.979 -6.729 5.852 1.00 23.34 H new ATOM 1677 N ILE A 110 3.101 -6.117 3.292 1.00 53.35 N ATOM 1678 CA ILE A 110 3.629 -5.218 2.282 1.00 53.11 C ATOM 1679 C ILE A 110 2.666 -4.068 2.028 1.00 42.54 C ATOM 1680 O ILE A 110 1.463 -4.277 1.852 1.00 43.11 O ATOM 1681 CB ILE A 110 3.902 -5.951 0.949 1.00 52.23 C ATOM 1682 CG1 ILE A 110 4.787 -7.177 1.180 1.00 74.12 C ATOM 1683 CG2 ILE A 110 4.557 -5.004 -0.048 1.00 23.31 C ATOM 1684 CD1 ILE A 110 5.025 -7.993 -0.071 1.00 55.41 C ATOM 0 H ILE A 110 2.385 -6.760 2.954 1.00 53.35 H new ATOM 0 HA ILE A 110 4.572 -4.830 2.666 1.00 53.11 H new ATOM 0 HB ILE A 110 2.950 -6.288 0.538 1.00 52.23 H new ATOM 0 HG12 ILE A 110 5.747 -6.852 1.580 1.00 74.12 H new ATOM 0 HG13 ILE A 110 4.325 -7.812 1.936 1.00 74.12 H new ATOM 0 HG21 ILE A 110 4.744 -5.532 -0.983 1.00 23.31 H new ATOM 0 HG22 ILE A 110 3.895 -4.158 -0.235 1.00 23.31 H new ATOM 0 HG23 ILE A 110 5.501 -4.643 0.360 1.00 23.31 H new ATOM 0 HD11 ILE A 110 5.660 -8.846 0.167 1.00 55.41 H new ATOM 0 HD12 ILE A 110 4.071 -8.348 -0.461 1.00 55.41 H new ATOM 0 HD13 ILE A 110 5.516 -7.373 -0.822 1.00 55.41 H new ATOM 1696 N HIS A 111 3.199 -2.865 2.023 1.00 72.44 N ATOM 1697 CA HIS A 111 2.414 -1.669 1.790 1.00 45.45 C ATOM 1698 C HIS A 111 2.823 -1.034 0.477 1.00 70.51 C ATOM 1699 O HIS A 111 4.006 -0.876 0.208 1.00 14.54 O ATOM 1700 CB HIS A 111 2.641 -0.638 2.913 1.00 52.11 C ATOM 1701 CG HIS A 111 2.375 -1.136 4.301 1.00 63.32 C ATOM 1702 ND1 HIS A 111 1.316 -0.704 5.067 1.00 13.01 N ATOM 1703 CD2 HIS A 111 3.060 -2.008 5.075 1.00 55.33 C ATOM 1704 CE1 HIS A 111 1.364 -1.286 6.245 1.00 52.22 C ATOM 1705 NE2 HIS A 111 2.407 -2.078 6.273 1.00 42.34 N ATOM 0 H HIS A 111 4.191 -2.687 2.181 1.00 72.44 H new ATOM 0 HA HIS A 111 1.363 -1.957 1.765 1.00 45.45 H new ATOM 0 HB2 HIS A 111 3.672 -0.289 2.861 1.00 52.11 H new ATOM 0 HB3 HIS A 111 2.003 0.226 2.726 1.00 52.11 H new ATOM 0 HD1 HIS A 111 0.605 -0.037 4.768 1.00 13.01 H new ATOM 0 HD2 HIS A 111 3.954 -2.547 4.798 1.00 55.33 H new ATOM 0 HE1 HIS A 111 0.663 -1.136 7.052 1.00 52.22 H new ATOM 1714 N ILE A 112 1.857 -0.688 -0.336 1.00 24.22 N ATOM 1715 CA ILE A 112 2.131 0.039 -1.558 1.00 65.13 C ATOM 1716 C ILE A 112 1.672 1.465 -1.366 1.00 62.12 C ATOM 1717 O ILE A 112 0.547 1.703 -0.915 1.00 74.25 O ATOM 1718 CB ILE A 112 1.393 -0.545 -2.783 1.00 31.52 C ATOM 1719 CG1 ILE A 112 1.580 -2.062 -2.872 1.00 31.41 C ATOM 1720 CG2 ILE A 112 1.887 0.128 -4.063 1.00 65.21 C ATOM 1721 CD1 ILE A 112 0.845 -2.692 -4.040 1.00 32.05 C ATOM 0 H ILE A 112 0.871 -0.897 -0.177 1.00 24.22 H new ATOM 0 HA ILE A 112 3.201 -0.032 -1.754 1.00 65.13 H new ATOM 0 HB ILE A 112 0.328 -0.346 -2.664 1.00 31.52 H new ATOM 0 HG12 ILE A 112 2.643 -2.285 -2.959 1.00 31.41 H new ATOM 0 HG13 ILE A 112 1.233 -2.518 -1.945 1.00 31.41 H new ATOM 0 HG21 ILE A 112 1.361 -0.291 -4.921 1.00 65.21 H new ATOM 0 HG22 ILE A 112 1.696 1.200 -4.008 1.00 65.21 H new ATOM 0 HG23 ILE A 112 2.957 -0.044 -4.175 1.00 65.21 H new ATOM 0 HD11 ILE A 112 1.021 -3.768 -4.043 1.00 32.05 H new ATOM 0 HD12 ILE A 112 -0.224 -2.499 -3.944 1.00 32.05 H new ATOM 0 HD13 ILE A 112 1.209 -2.262 -4.973 1.00 32.05 H new ATOM 1733 N ILE A 113 2.531 2.403 -1.674 1.00 72.30 N ATOM 1734 CA ILE A 113 2.210 3.796 -1.496 1.00 14.55 C ATOM 1735 C ILE A 113 2.158 4.509 -2.834 1.00 34.34 C ATOM 1736 O ILE A 113 3.133 4.509 -3.585 1.00 61.33 O ATOM 1737 CB ILE A 113 3.257 4.493 -0.606 1.00 5.40 C ATOM 1738 CG1 ILE A 113 3.462 3.711 0.692 1.00 3.23 C ATOM 1739 CG2 ILE A 113 2.832 5.926 -0.308 1.00 61.54 C ATOM 1740 CD1 ILE A 113 4.604 4.229 1.540 1.00 61.24 C ATOM 0 H ILE A 113 3.462 2.226 -2.051 1.00 72.30 H new ATOM 0 HA ILE A 113 1.233 3.846 -1.015 1.00 14.55 H new ATOM 0 HB ILE A 113 4.205 4.520 -1.143 1.00 5.40 H new ATOM 0 HG12 ILE A 113 2.542 3.746 1.276 1.00 3.23 H new ATOM 0 HG13 ILE A 113 3.646 2.664 0.450 1.00 3.23 H new ATOM 0 HG21 ILE A 113 3.582 6.405 0.322 1.00 61.54 H new ATOM 0 HG22 ILE A 113 2.736 6.479 -1.242 1.00 61.54 H new ATOM 0 HG23 ILE A 113 1.873 5.921 0.210 1.00 61.54 H new ATOM 0 HD11 ILE A 113 4.689 3.626 2.444 1.00 61.24 H new ATOM 0 HD12 ILE A 113 5.534 4.168 0.974 1.00 61.24 H new ATOM 0 HD13 ILE A 113 4.413 5.267 1.813 1.00 61.24 H new ATOM 1752 N LEU A 114 1.024 5.090 -3.135 1.00 31.43 N ATOM 1753 CA LEU A 114 0.864 5.853 -4.353 1.00 41.23 C ATOM 1754 C LEU A 114 0.417 7.259 -3.997 1.00 21.14 C ATOM 1755 O LEU A 114 -0.708 7.467 -3.541 1.00 33.12 O ATOM 1756 CB LEU A 114 -0.146 5.163 -5.297 1.00 1.11 C ATOM 1757 CG LEU A 114 -0.152 5.639 -6.767 1.00 31.20 C ATOM 1758 CD1 LEU A 114 -0.848 4.616 -7.648 1.00 41.33 C ATOM 1759 CD2 LEU A 114 -0.837 6.992 -6.911 1.00 3.14 C ATOM 0 H LEU A 114 0.190 5.050 -2.549 1.00 31.43 H new ATOM 0 HA LEU A 114 1.815 5.907 -4.882 1.00 41.23 H new ATOM 0 HB2 LEU A 114 0.054 4.092 -5.286 1.00 1.11 H new ATOM 0 HB3 LEU A 114 -1.147 5.305 -4.888 1.00 1.11 H new ATOM 0 HG LEU A 114 0.885 5.746 -7.085 1.00 31.20 H new ATOM 0 HD11 LEU A 114 -0.845 4.964 -8.681 1.00 41.33 H new ATOM 0 HD12 LEU A 114 -0.322 3.663 -7.584 1.00 41.33 H new ATOM 0 HD13 LEU A 114 -1.877 4.486 -7.312 1.00 41.33 H new ATOM 0 HD21 LEU A 114 -0.824 7.297 -7.957 1.00 3.14 H new ATOM 0 HD22 LEU A 114 -1.869 6.916 -6.568 1.00 3.14 H new ATOM 0 HD23 LEU A 114 -0.309 7.733 -6.310 1.00 3.14 H new ATOM 1771 N ARG A 115 1.302 8.214 -4.177 1.00 3.01 N ATOM 1772 CA ARG A 115 1.000 9.590 -3.864 1.00 60.54 C ATOM 1773 C ARG A 115 0.308 10.258 -5.034 1.00 73.24 C ATOM 1774 O ARG A 115 0.876 10.367 -6.117 1.00 54.32 O ATOM 1775 CB ARG A 115 2.266 10.362 -3.490 1.00 41.32 C ATOM 1776 CG ARG A 115 1.998 11.825 -3.193 1.00 23.33 C ATOM 1777 CD ARG A 115 3.264 12.583 -2.853 1.00 30.23 C ATOM 1778 NE ARG A 115 3.005 14.017 -2.789 1.00 61.05 N ATOM 1779 CZ ARG A 115 3.936 14.964 -2.835 1.00 41.45 C ATOM 1780 NH1 ARG A 115 5.224 14.649 -2.873 1.00 41.13 N ATOM 1781 NH2 ARG A 115 3.575 16.231 -2.833 1.00 5.10 N ATOM 0 H ARG A 115 2.242 8.060 -4.541 1.00 3.01 H new ATOM 0 HA ARG A 115 0.330 9.599 -3.004 1.00 60.54 H new ATOM 0 HB2 ARG A 115 2.725 9.897 -2.617 1.00 41.32 H new ATOM 0 HB3 ARG A 115 2.985 10.288 -4.306 1.00 41.32 H new ATOM 0 HG2 ARG A 115 1.521 12.288 -4.057 1.00 23.33 H new ATOM 0 HG3 ARG A 115 1.297 11.902 -2.362 1.00 23.33 H new ATOM 0 HD2 ARG A 115 3.656 12.236 -1.897 1.00 30.23 H new ATOM 0 HD3 ARG A 115 4.028 12.380 -3.603 1.00 30.23 H new ATOM 0 HE ARG A 115 2.034 14.316 -2.702 1.00 61.05 H new ATOM 0 HH11 ARG A 115 5.510 13.670 -2.867 1.00 41.13 H new ATOM 0 HH12 ARG A 115 5.928 15.386 -2.908 1.00 41.13 H new ATOM 0 HH21 ARG A 115 2.586 16.480 -2.796 1.00 5.10 H new ATOM 0 HH22 ARG A 115 4.284 16.963 -2.868 1.00 5.10 H new ATOM 1795 N THR A 116 -0.909 10.699 -4.813 1.00 32.23 N ATOM 1796 CA THR A 116 -1.677 11.346 -5.845 1.00 13.52 C ATOM 1797 C THR A 116 -1.407 12.848 -5.868 1.00 13.01 C ATOM 1798 O THR A 116 -1.206 13.433 -6.931 1.00 44.33 O ATOM 1799 CB THR A 116 -3.182 11.084 -5.655 1.00 53.45 C ATOM 1800 OG1 THR A 116 -3.530 11.240 -4.272 1.00 70.22 O ATOM 1801 CG2 THR A 116 -3.549 9.681 -6.115 1.00 13.02 C ATOM 0 H THR A 116 -1.390 10.619 -3.917 1.00 32.23 H new ATOM 0 HA THR A 116 -1.367 10.924 -6.801 1.00 13.52 H new ATOM 0 HB THR A 116 -3.735 11.804 -6.258 1.00 53.45 H new ATOM 0 HG1 THR A 116 -4.489 11.074 -4.155 1.00 70.22 H new ATOM 0 HG21 THR A 116 -4.617 9.519 -5.971 1.00 13.02 H new ATOM 0 HG22 THR A 116 -3.304 9.569 -7.171 1.00 13.02 H new ATOM 0 HG23 THR A 116 -2.989 8.949 -5.533 1.00 13.02 H new ATOM 1809 N GLU A 117 -1.377 13.457 -4.687 1.00 2.32 N ATOM 1810 CA GLU A 117 -1.143 14.888 -4.565 1.00 54.23 C ATOM 1811 C GLU A 117 0.090 15.163 -3.719 1.00 53.43 C ATOM 1812 O GLU A 117 0.062 14.881 -2.497 1.00 0.00 O ATOM 1813 CB GLU A 117 -2.362 15.592 -3.963 1.00 71.31 C ATOM 1814 CG GLU A 117 -3.612 15.522 -4.826 1.00 31.21 C ATOM 1815 CD GLU A 117 -3.489 16.334 -6.097 1.00 44.44 C ATOM 1816 OE1 GLU A 117 -3.346 17.571 -6.003 1.00 35.13 O ATOM 1817 OE2 GLU A 117 -3.538 15.746 -7.197 1.00 64.25 O ATOM 1818 OXT GLU A 117 1.085 15.670 -4.270 1.00 0.00 O ATOM 0 H GLU A 117 -1.513 12.977 -3.797 1.00 2.32 H new ATOM 0 HA GLU A 117 -0.974 15.284 -5.566 1.00 54.23 H new ATOM 0 HB2 GLU A 117 -2.580 15.149 -2.991 1.00 71.31 H new ATOM 0 HB3 GLU A 117 -2.113 16.639 -3.788 1.00 71.31 H new ATOM 0 HG2 GLU A 117 -3.814 14.482 -5.082 1.00 31.21 H new ATOM 0 HG3 GLU A 117 -4.466 15.881 -4.251 1.00 31.21 H new