USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 907 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 147:sc= 0.675 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -2.33! C(o=-1.7!,f=-3.3!) USER MOD Set 2.1: A 80 SER OG : rot -70:sc= -0.342 USER MOD Set 2.2: A 83 GLN : amide:sc= -1.16 K(o=-1.5,f=-2.4!) USER MOD Set 3.1: A 13 HIS :FLIP no HE2:sc= -0.207 F(o=-4,f=0.43) USER MOD Set 3.2: A 67 CYS SG : rot -173:sc= 0.634 USER MOD Set 4.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 63 GLN :FLIP amide:sc=-0.00943 F(o=-1.2,f=-0.0094) USER MOD Set 5.1: A 20 GLN : amide:sc= -0.358 X(o=-0.038,f=-0.12) USER MOD Set 5.2: A 35 THR OG1 : rot 96:sc= 0.32 USER MOD Set 6.1: A 12 SER OG : rot 66:sc= 0.481 USER MOD Set 6.2: A 116 THR OG1 : rot 171:sc= 0.509 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0424 K(o=-0.042,f=-6.2!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -160:sc= -0.831 USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= 0.479 (180deg=0.0101) USER MOD Single : A 18 HIS : +bothHN:sc= -1.68! C(o=-1.7!,f=-6.2!) USER MOD Single : A 19 SER OG : rot 78:sc= 0.016 USER MOD Single : A 21 SER OG : rot -101:sc= 0.745 USER MOD Single : A 25 SER OG : rot -70:sc= 1.22 USER MOD Single : A 26 SER OG : rot -170:sc= 1.42 USER MOD Single : A 29 GLN : amide:sc= 0.149 K(o=0.15,f=-0.69) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0916 K(o=-0.092,f=-0.73!) USER MOD Single : A 46 TYR OH : rot 134:sc= 0.0364 USER MOD Single : A 48 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.96) USER MOD Single : A 49 LYS NZ :NH3+ 160:sc= -0.0773 (180deg=-0.508) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -20:sc= 0.0757 USER MOD Single : A 62 SER OG : rot -41:sc= -0.162 USER MOD Single : A 65 SER OG : rot 21:sc= -2.45 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0397 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.0307 (180deg=-0.21) USER MOD Single : A 84 MET CE :methyl 170:sc= -0.629 (180deg=-0.937) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.691 F(o=-1.8,f=-0.69) USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= 1.14 (180deg=1.03) USER MOD Single : A 97 THR OG1 : rot -62:sc= 1.31 USER MOD Single : A 100 MET CE :methyl -177:sc= -1.23 (180deg=-1.26) USER MOD Single : A 101 SER OG : rot -100:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.493 11.666 7.388 1.00 34.12 N ATOM 2 CA GLY A 1 27.553 12.739 6.379 1.00 33.50 C ATOM 3 C GLY A 1 26.189 13.308 6.082 1.00 65.24 C ATOM 4 O GLY A 1 25.809 14.342 6.630 1.00 4.51 O ATOM 0 H1 GLY A 1 28.451 11.301 7.564 1.00 34.12 H new ATOM 0 H2 GLY A 1 27.098 12.043 8.273 1.00 34.12 H new ATOM 0 H3 GLY A 1 26.888 10.895 7.040 1.00 34.12 H new ATOM 0 HA2 GLY A 1 28.209 13.534 6.733 1.00 33.50 H new ATOM 0 HA3 GLY A 1 27.992 12.349 5.460 1.00 33.50 H new ATOM 10 N SER A 2 25.447 12.633 5.218 1.00 30.14 N ATOM 11 CA SER A 2 24.113 13.063 4.845 1.00 24.34 C ATOM 12 C SER A 2 23.176 11.861 4.729 1.00 41.52 C ATOM 13 O SER A 2 23.286 11.062 3.798 1.00 35.34 O ATOM 14 CB SER A 2 24.156 13.827 3.517 1.00 54.14 C ATOM 15 OG SER A 2 25.030 14.946 3.602 1.00 23.54 O ATOM 0 H SER A 2 25.753 11.775 4.758 1.00 30.14 H new ATOM 0 HA SER A 2 23.733 13.726 5.622 1.00 24.34 H new ATOM 0 HB2 SER A 2 24.488 13.161 2.721 1.00 54.14 H new ATOM 0 HB3 SER A 2 23.153 14.163 3.254 1.00 54.14 H new ATOM 0 HG SER A 2 25.043 15.417 2.743 1.00 23.54 H new ATOM 21 N HIS A 3 22.273 11.728 5.685 1.00 54.43 N ATOM 22 CA HIS A 3 21.309 10.637 5.678 1.00 23.42 C ATOM 23 C HIS A 3 20.156 10.978 4.732 1.00 54.21 C ATOM 24 O HIS A 3 19.225 11.694 5.105 1.00 40.34 O ATOM 25 CB HIS A 3 20.795 10.378 7.112 1.00 11.34 C ATOM 26 CG HIS A 3 19.975 9.123 7.293 1.00 3.02 C ATOM 27 ND1 HIS A 3 18.883 9.057 8.130 1.00 60.34 N ATOM 28 CD2 HIS A 3 20.114 7.879 6.771 1.00 51.23 C ATOM 29 CE1 HIS A 3 18.388 7.834 8.119 1.00 74.52 C ATOM 30 NE2 HIS A 3 19.113 7.099 7.302 1.00 44.41 N ATOM 0 H HIS A 3 22.186 12.363 6.479 1.00 54.43 H new ATOM 0 HA HIS A 3 21.789 9.726 5.322 1.00 23.42 H new ATOM 0 HB2 HIS A 3 21.652 10.331 7.783 1.00 11.34 H new ATOM 0 HB3 HIS A 3 20.193 11.232 7.423 1.00 11.34 H new ATOM 0 HD2 HIS A 3 20.870 7.560 6.069 1.00 51.23 H new ATOM 0 HE1 HIS A 3 17.533 7.494 8.684 1.00 74.52 H new ATOM 0 HE2 HIS A 3 18.958 6.112 7.096 1.00 44.41 H new ATOM 39 N MET A 4 20.252 10.494 3.493 1.00 75.34 N ATOM 40 CA MET A 4 19.227 10.745 2.468 1.00 13.32 C ATOM 41 C MET A 4 17.902 10.159 2.901 1.00 13.41 C ATOM 42 O MET A 4 16.841 10.744 2.681 1.00 15.35 O ATOM 43 CB MET A 4 19.639 10.128 1.131 1.00 64.33 C ATOM 44 CG MET A 4 20.946 10.654 0.574 1.00 30.31 C ATOM 45 SD MET A 4 21.379 9.887 -0.999 1.00 74.14 S ATOM 46 CE MET A 4 22.941 10.689 -1.338 1.00 31.33 C ATOM 0 H MET A 4 21.032 9.922 3.170 1.00 75.34 H new ATOM 0 HA MET A 4 19.126 11.823 2.346 1.00 13.32 H new ATOM 0 HB2 MET A 4 19.719 9.048 1.253 1.00 64.33 H new ATOM 0 HB3 MET A 4 18.849 10.309 0.402 1.00 64.33 H new ATOM 0 HG2 MET A 4 20.873 11.733 0.441 1.00 30.31 H new ATOM 0 HG3 MET A 4 21.744 10.474 1.295 1.00 30.31 H new ATOM 0 HE1 MET A 4 23.342 10.321 -2.283 1.00 31.33 H new ATOM 0 HE2 MET A 4 22.790 11.767 -1.403 1.00 31.33 H new ATOM 0 HE3 MET A 4 23.645 10.469 -0.535 1.00 31.33 H new ATOM 56 N GLU A 5 17.983 9.000 3.511 1.00 73.50 N ATOM 57 CA GLU A 5 16.830 8.306 4.028 1.00 71.20 C ATOM 58 C GLU A 5 16.267 9.062 5.228 1.00 63.34 C ATOM 59 O GLU A 5 17.022 9.553 6.058 1.00 51.13 O ATOM 60 CB GLU A 5 17.251 6.897 4.454 1.00 3.44 C ATOM 61 CG GLU A 5 16.179 6.105 5.175 1.00 64.15 C ATOM 62 CD GLU A 5 16.721 4.843 5.795 1.00 54.31 C ATOM 63 OE1 GLU A 5 16.060 3.793 5.693 1.00 43.33 O ATOM 64 OE2 GLU A 5 17.825 4.896 6.392 1.00 0.34 O ATOM 0 H GLU A 5 18.863 8.507 3.663 1.00 73.50 H new ATOM 0 HA GLU A 5 16.061 8.244 3.258 1.00 71.20 H new ATOM 0 HB2 GLU A 5 17.560 6.342 3.568 1.00 3.44 H new ATOM 0 HB3 GLU A 5 18.124 6.974 5.102 1.00 3.44 H new ATOM 0 HG2 GLU A 5 15.732 6.726 5.951 1.00 64.15 H new ATOM 0 HG3 GLU A 5 15.385 5.851 4.473 1.00 64.15 H new ATOM 71 N PRO A 6 14.948 9.210 5.310 1.00 55.54 N ATOM 72 CA PRO A 6 14.317 9.831 6.459 1.00 0.22 C ATOM 73 C PRO A 6 14.226 8.857 7.637 1.00 75.30 C ATOM 74 O PRO A 6 14.194 7.642 7.449 1.00 73.22 O ATOM 75 CB PRO A 6 12.920 10.193 5.948 1.00 34.21 C ATOM 76 CG PRO A 6 12.638 9.211 4.860 1.00 43.42 C ATOM 77 CD PRO A 6 13.971 8.813 4.276 1.00 52.40 C ATOM 0 HA PRO A 6 14.875 10.691 6.829 1.00 0.22 H new ATOM 0 HB2 PRO A 6 12.179 10.123 6.744 1.00 34.21 H new ATOM 0 HB3 PRO A 6 12.890 11.216 5.573 1.00 34.21 H new ATOM 0 HG2 PRO A 6 12.112 8.340 5.252 1.00 43.42 H new ATOM 0 HG3 PRO A 6 11.998 9.653 4.097 1.00 43.42 H new ATOM 0 HD2 PRO A 6 14.015 7.743 4.075 1.00 52.40 H new ATOM 0 HD3 PRO A 6 14.161 9.322 3.331 1.00 52.40 H new ATOM 85 N ALA A 7 14.219 9.389 8.842 1.00 14.14 N ATOM 86 CA ALA A 7 14.082 8.568 10.034 1.00 33.32 C ATOM 87 C ALA A 7 12.613 8.438 10.393 1.00 33.53 C ATOM 88 O ALA A 7 12.148 7.383 10.824 1.00 61.33 O ATOM 89 CB ALA A 7 14.866 9.172 11.191 1.00 55.01 C ATOM 0 H ALA A 7 14.307 10.389 9.025 1.00 14.14 H new ATOM 0 HA ALA A 7 14.488 7.576 9.834 1.00 33.32 H new ATOM 0 HB1 ALA A 7 14.752 8.544 12.075 1.00 55.01 H new ATOM 0 HB2 ALA A 7 15.921 9.233 10.923 1.00 55.01 H new ATOM 0 HB3 ALA A 7 14.487 10.172 11.405 1.00 55.01 H new ATOM 95 N ARG A 8 11.891 9.528 10.201 1.00 2.15 N ATOM 96 CA ARG A 8 10.464 9.581 10.441 1.00 74.31 C ATOM 97 C ARG A 8 9.777 10.097 9.193 1.00 40.43 C ATOM 98 O ARG A 8 10.286 11.012 8.534 1.00 74.25 O ATOM 99 CB ARG A 8 10.151 10.500 11.622 1.00 15.53 C ATOM 100 CG ARG A 8 10.676 10.004 12.957 1.00 50.45 C ATOM 101 CD ARG A 8 10.429 11.024 14.053 1.00 54.52 C ATOM 102 NE ARG A 8 10.702 10.484 15.383 1.00 55.21 N ATOM 103 CZ ARG A 8 10.362 11.091 16.522 1.00 43.43 C ATOM 104 NH1 ARG A 8 9.819 12.303 16.497 1.00 75.42 N ATOM 105 NH2 ARG A 8 10.587 10.495 17.686 1.00 51.31 N ATOM 0 H ARG A 8 12.285 10.409 9.871 1.00 2.15 H new ATOM 0 HA ARG A 8 10.102 8.581 10.681 1.00 74.31 H new ATOM 0 HB2 ARG A 8 10.573 11.485 11.422 1.00 15.53 H new ATOM 0 HB3 ARG A 8 9.071 10.625 11.694 1.00 15.53 H new ATOM 0 HG2 ARG A 8 10.191 9.063 13.215 1.00 50.45 H new ATOM 0 HG3 ARG A 8 11.744 9.801 12.879 1.00 50.45 H new ATOM 0 HD2 ARG A 8 11.058 11.898 13.882 1.00 54.52 H new ATOM 0 HD3 ARG A 8 9.394 11.362 14.006 1.00 54.52 H new ATOM 0 HE ARG A 8 11.183 9.587 15.445 1.00 55.21 H new ATOM 0 HH11 ARG A 8 9.661 12.773 15.605 1.00 75.42 H new ATOM 0 HH12 ARG A 8 9.560 12.764 17.369 1.00 75.42 H new ATOM 0 HH21 ARG A 8 11.020 9.572 17.711 1.00 51.31 H new ATOM 0 HH22 ARG A 8 10.327 10.960 18.556 1.00 51.31 H new ATOM 119 N VAL A 9 8.643 9.519 8.855 1.00 42.12 N ATOM 120 CA VAL A 9 7.929 9.926 7.662 1.00 62.50 C ATOM 121 C VAL A 9 6.448 9.556 7.754 1.00 32.14 C ATOM 122 O VAL A 9 6.069 8.643 8.495 1.00 50.02 O ATOM 123 CB VAL A 9 8.554 9.269 6.399 1.00 2.11 C ATOM 124 CG1 VAL A 9 8.292 7.771 6.366 1.00 55.41 C ATOM 125 CG2 VAL A 9 8.051 9.929 5.136 1.00 72.35 C ATOM 0 H VAL A 9 8.198 8.770 9.386 1.00 42.12 H new ATOM 0 HA VAL A 9 8.013 11.010 7.580 1.00 62.50 H new ATOM 0 HB VAL A 9 9.632 9.418 6.453 1.00 2.11 H new ATOM 0 HG11 VAL A 9 8.742 7.343 5.471 1.00 55.41 H new ATOM 0 HG12 VAL A 9 8.729 7.306 7.250 1.00 55.41 H new ATOM 0 HG13 VAL A 9 7.217 7.590 6.354 1.00 55.41 H new ATOM 0 HG21 VAL A 9 8.505 9.449 4.269 1.00 72.35 H new ATOM 0 HG22 VAL A 9 6.967 9.829 5.080 1.00 72.35 H new ATOM 0 HG23 VAL A 9 8.318 10.986 5.147 1.00 72.35 H new ATOM 135 N ARG A 10 5.617 10.287 7.029 1.00 53.33 N ATOM 136 CA ARG A 10 4.202 9.994 6.955 1.00 62.32 C ATOM 137 C ARG A 10 3.870 9.482 5.568 1.00 50.10 C ATOM 138 O ARG A 10 4.086 10.182 4.576 1.00 74.01 O ATOM 139 CB ARG A 10 3.368 11.238 7.252 1.00 72.30 C ATOM 140 CG ARG A 10 1.877 10.966 7.255 1.00 41.04 C ATOM 141 CD ARG A 10 1.070 12.216 7.529 1.00 61.21 C ATOM 142 NE ARG A 10 -0.339 11.895 7.725 1.00 2.42 N ATOM 143 CZ ARG A 10 -1.315 12.792 7.855 1.00 51.31 C ATOM 144 NH1 ARG A 10 -1.067 14.092 7.711 1.00 21.15 N ATOM 145 NH2 ARG A 10 -2.546 12.379 8.114 1.00 1.43 N ATOM 0 H ARG A 10 5.906 11.096 6.479 1.00 53.33 H new ATOM 0 HA ARG A 10 3.965 9.236 7.702 1.00 62.32 H new ATOM 0 HB2 ARG A 10 3.660 11.641 8.222 1.00 72.30 H new ATOM 0 HB3 ARG A 10 3.590 12.004 6.509 1.00 72.30 H new ATOM 0 HG2 ARG A 10 1.583 10.550 6.292 1.00 41.04 H new ATOM 0 HG3 ARG A 10 1.648 10.214 8.010 1.00 41.04 H new ATOM 0 HD2 ARG A 10 1.459 12.718 8.415 1.00 61.21 H new ATOM 0 HD3 ARG A 10 1.176 12.912 6.696 1.00 61.21 H new ATOM 0 HE ARG A 10 -0.597 10.909 7.766 1.00 2.42 H new ATOM 0 HH11 ARG A 10 -0.121 14.410 7.499 1.00 21.15 H new ATOM 0 HH12 ARG A 10 -1.823 14.770 7.813 1.00 21.15 H new ATOM 0 HH21 ARG A 10 -2.740 11.382 8.212 1.00 1.43 H new ATOM 0 HH22 ARG A 10 -3.301 13.058 8.215 1.00 1.43 H new ATOM 159 N CYS A 11 3.363 8.273 5.485 1.00 23.41 N ATOM 160 CA CYS A 11 3.039 7.688 4.199 1.00 35.14 C ATOM 161 C CYS A 11 1.701 6.968 4.229 1.00 31.23 C ATOM 162 O CYS A 11 1.349 6.318 5.218 1.00 21.22 O ATOM 163 CB CYS A 11 4.140 6.719 3.762 1.00 14.35 C ATOM 164 SG CYS A 11 5.773 7.474 3.603 1.00 20.31 S ATOM 0 H CYS A 11 3.166 7.676 6.288 1.00 23.41 H new ATOM 0 HA CYS A 11 2.967 8.503 3.479 1.00 35.14 H new ATOM 0 HB2 CYS A 11 4.198 5.904 4.483 1.00 14.35 H new ATOM 0 HB3 CYS A 11 3.861 6.278 2.805 1.00 14.35 H new ATOM 0 HG CYS A 11 6.525 6.727 2.850 1.00 20.31 H new ATOM 170 N SER A 12 0.959 7.103 3.151 1.00 35.11 N ATOM 171 CA SER A 12 -0.297 6.418 2.989 1.00 74.33 C ATOM 172 C SER A 12 -0.037 5.092 2.269 1.00 2.33 C ATOM 173 O SER A 12 0.978 4.950 1.578 1.00 13.10 O ATOM 174 CB SER A 12 -1.258 7.293 2.188 1.00 3.21 C ATOM 175 OG SER A 12 -1.318 8.603 2.734 1.00 33.41 O ATOM 0 H SER A 12 1.215 7.695 2.361 1.00 35.11 H new ATOM 0 HA SER A 12 -0.751 6.217 3.959 1.00 74.33 H new ATOM 0 HB2 SER A 12 -0.933 7.341 1.149 1.00 3.21 H new ATOM 0 HB3 SER A 12 -2.252 6.847 2.191 1.00 3.21 H new ATOM 0 HG SER A 12 -0.450 9.044 2.622 1.00 33.41 H new ATOM 181 N HIS A 13 -0.933 4.130 2.414 1.00 3.11 N ATOM 182 CA HIS A 13 -0.700 2.815 1.823 1.00 52.20 C ATOM 183 C HIS A 13 -1.957 2.210 1.207 1.00 63.44 C ATOM 184 O HIS A 13 -3.047 2.292 1.773 1.00 45.34 O ATOM 185 CB HIS A 13 -0.095 1.846 2.862 1.00 73.12 C ATOM 186 CG HIS A 13 -1.004 1.522 4.021 1.00 51.14 C ATOM 187 ND1 HIS A 13 -1.719 2.328 4.840 1.00 35.24 N flip ATOM 188 CD2 HIS A 13 -1.240 0.239 4.457 1.00 64.43 C flip ATOM 189 CE1 HIS A 13 -2.366 1.525 5.742 1.00 34.34 C flip ATOM 190 NE2 HIS A 13 -2.060 0.269 5.486 1.00 1.42 N flip ATOM 0 H HIS A 13 -1.811 4.226 2.924 1.00 3.11 H new ATOM 0 HA HIS A 13 0.013 2.964 1.012 1.00 52.20 H new ATOM 0 HB2 HIS A 13 0.176 0.918 2.359 1.00 73.12 H new ATOM 0 HB3 HIS A 13 0.827 2.279 3.250 1.00 73.12 H new ATOM 0 HD1 HIS A 13 -1.767 3.346 4.794 1.00 35.24 H new ATOM 0 HD2 HIS A 13 -0.818 -0.655 4.022 1.00 64.43 H new ATOM 0 HE1 HIS A 13 -3.019 1.865 6.532 1.00 34.34 H new ATOM 199 N LEU A 14 -1.779 1.601 0.049 1.00 34.31 N ATOM 200 CA LEU A 14 -2.843 0.906 -0.658 1.00 32.34 C ATOM 201 C LEU A 14 -2.552 -0.592 -0.550 1.00 14.13 C ATOM 202 O LEU A 14 -1.416 -1.014 -0.776 1.00 14.14 O ATOM 203 CB LEU A 14 -2.840 1.346 -2.142 1.00 3.20 C ATOM 204 CG LEU A 14 -4.171 1.255 -2.926 1.00 24.13 C ATOM 205 CD1 LEU A 14 -4.697 -0.168 -2.995 1.00 30.45 C ATOM 206 CD2 LEU A 14 -5.206 2.192 -2.332 1.00 13.00 C ATOM 0 H LEU A 14 -0.881 1.574 -0.434 1.00 34.31 H new ATOM 0 HA LEU A 14 -3.820 1.136 -0.233 1.00 32.34 H new ATOM 0 HB2 LEU A 14 -2.497 2.380 -2.184 1.00 3.20 H new ATOM 0 HB3 LEU A 14 -2.100 0.743 -2.668 1.00 3.20 H new ATOM 0 HG LEU A 14 -3.969 1.568 -3.950 1.00 24.13 H new ATOM 0 HD11 LEU A 14 -5.632 -0.183 -3.554 1.00 30.45 H new ATOM 0 HD12 LEU A 14 -3.965 -0.803 -3.494 1.00 30.45 H new ATOM 0 HD13 LEU A 14 -4.872 -0.541 -1.986 1.00 30.45 H new ATOM 0 HD21 LEU A 14 -6.135 2.113 -2.897 1.00 13.00 H new ATOM 0 HD22 LEU A 14 -5.389 1.920 -1.293 1.00 13.00 H new ATOM 0 HD23 LEU A 14 -4.838 3.217 -2.379 1.00 13.00 H new ATOM 218 N LEU A 15 -3.546 -1.385 -0.186 1.00 70.25 N ATOM 219 CA LEU A 15 -3.329 -2.819 -0.015 1.00 63.54 C ATOM 220 C LEU A 15 -4.337 -3.661 -0.774 1.00 35.22 C ATOM 221 O LEU A 15 -5.535 -3.626 -0.493 1.00 1.20 O ATOM 222 CB LEU A 15 -3.338 -3.209 1.476 1.00 22.53 C ATOM 223 CG LEU A 15 -3.354 -4.727 1.779 1.00 31.31 C ATOM 224 CD1 LEU A 15 -2.190 -5.438 1.114 1.00 24.41 C ATOM 225 CD2 LEU A 15 -3.331 -4.983 3.277 1.00 55.02 C ATOM 0 H LEU A 15 -4.499 -1.070 -0.005 1.00 70.25 H new ATOM 0 HA LEU A 15 -2.345 -3.028 -0.435 1.00 63.54 H new ATOM 0 HB2 LEU A 15 -2.459 -2.773 1.951 1.00 22.53 H new ATOM 0 HB3 LEU A 15 -4.211 -2.756 1.945 1.00 22.53 H new ATOM 0 HG LEU A 15 -4.280 -5.129 1.368 1.00 31.31 H new ATOM 0 HD11 LEU A 15 -2.232 -6.502 1.348 1.00 24.41 H new ATOM 0 HD12 LEU A 15 -2.249 -5.301 0.034 1.00 24.41 H new ATOM 0 HD13 LEU A 15 -1.252 -5.023 1.482 1.00 24.41 H new ATOM 0 HD21 LEU A 15 -3.343 -6.057 3.463 1.00 55.02 H new ATOM 0 HD22 LEU A 15 -2.427 -4.550 3.706 1.00 55.02 H new ATOM 0 HD23 LEU A 15 -4.206 -4.525 3.738 1.00 55.02 H new ATOM 237 N VAL A 16 -3.837 -4.415 -1.727 1.00 4.14 N ATOM 238 CA VAL A 16 -4.638 -5.367 -2.462 1.00 72.32 C ATOM 239 C VAL A 16 -4.151 -6.772 -2.116 1.00 12.05 C ATOM 240 O VAL A 16 -3.054 -7.179 -2.518 1.00 34.24 O ATOM 241 CB VAL A 16 -4.550 -5.133 -3.994 1.00 42.44 C ATOM 242 CG1 VAL A 16 -5.317 -6.203 -4.753 1.00 42.21 C ATOM 243 CG2 VAL A 16 -5.082 -3.752 -4.351 1.00 4.21 C ATOM 0 H VAL A 16 -2.859 -4.385 -2.015 1.00 4.14 H new ATOM 0 HA VAL A 16 -5.683 -5.243 -2.179 1.00 72.32 H new ATOM 0 HB VAL A 16 -3.501 -5.193 -4.285 1.00 42.44 H new ATOM 0 HG11 VAL A 16 -5.239 -6.016 -5.824 1.00 42.21 H new ATOM 0 HG12 VAL A 16 -4.897 -7.183 -4.525 1.00 42.21 H new ATOM 0 HG13 VAL A 16 -6.365 -6.179 -4.456 1.00 42.21 H new ATOM 0 HG21 VAL A 16 -5.014 -3.603 -5.429 1.00 4.21 H new ATOM 0 HG22 VAL A 16 -6.123 -3.671 -4.039 1.00 4.21 H new ATOM 0 HG23 VAL A 16 -4.491 -2.991 -3.841 1.00 4.21 H new ATOM 253 N LYS A 17 -4.945 -7.493 -1.337 1.00 33.22 N ATOM 254 CA LYS A 17 -4.553 -8.818 -0.871 1.00 11.23 C ATOM 255 C LYS A 17 -4.722 -9.874 -1.949 1.00 3.34 C ATOM 256 O LYS A 17 -5.519 -9.715 -2.876 1.00 73.41 O ATOM 257 CB LYS A 17 -5.331 -9.206 0.392 1.00 44.21 C ATOM 258 CG LYS A 17 -5.008 -8.338 1.600 1.00 22.04 C ATOM 259 CD LYS A 17 -5.790 -8.771 2.833 1.00 34.22 C ATOM 260 CE LYS A 17 -5.451 -7.900 4.034 1.00 34.13 C ATOM 261 NZ LYS A 17 -6.221 -8.279 5.240 1.00 61.31 N ATOM 0 H LYS A 17 -5.862 -7.185 -1.014 1.00 33.22 H new ATOM 0 HA LYS A 17 -3.492 -8.770 -0.625 1.00 11.23 H new ATOM 0 HB2 LYS A 17 -6.399 -9.141 0.184 1.00 44.21 H new ATOM 0 HB3 LYS A 17 -5.116 -10.247 0.635 1.00 44.21 H new ATOM 0 HG2 LYS A 17 -3.940 -8.391 1.810 1.00 22.04 H new ATOM 0 HG3 LYS A 17 -5.237 -7.297 1.371 1.00 22.04 H new ATOM 0 HD2 LYS A 17 -6.859 -8.712 2.628 1.00 34.22 H new ATOM 0 HD3 LYS A 17 -5.566 -9.813 3.061 1.00 34.22 H new ATOM 0 HE2 LYS A 17 -4.385 -7.978 4.247 1.00 34.13 H new ATOM 0 HE3 LYS A 17 -5.652 -6.857 3.791 1.00 34.13 H new ATOM 0 HZ1 LYS A 17 -6.559 -7.421 5.720 1.00 61.31 H new ATOM 0 HZ2 LYS A 17 -7.035 -8.864 4.963 1.00 61.31 H new ATOM 0 HZ3 LYS A 17 -5.611 -8.820 5.886 1.00 61.31 H new ATOM 275 N HIS A 18 -3.961 -10.950 -1.823 1.00 12.23 N ATOM 276 CA HIS A 18 -4.014 -12.050 -2.775 1.00 52.14 C ATOM 277 C HIS A 18 -4.511 -13.324 -2.108 1.00 72.43 C ATOM 278 O HIS A 18 -4.168 -13.607 -0.956 1.00 54.42 O ATOM 279 CB HIS A 18 -2.646 -12.282 -3.474 1.00 2.02 C ATOM 280 CG HIS A 18 -1.432 -12.134 -2.586 1.00 21.31 C ATOM 281 ND1 HIS A 18 -0.922 -13.149 -1.805 1.00 14.24 N ATOM 282 CD2 HIS A 18 -0.626 -11.068 -2.375 1.00 32.55 C ATOM 283 CE1 HIS A 18 0.138 -12.710 -1.152 1.00 33.14 C ATOM 284 NE2 HIS A 18 0.339 -11.453 -1.481 1.00 71.05 N ATOM 0 H HIS A 18 -3.293 -11.086 -1.064 1.00 12.23 H new ATOM 0 HA HIS A 18 -4.727 -11.771 -3.551 1.00 52.14 H new ATOM 0 HB2 HIS A 18 -2.642 -13.284 -3.903 1.00 2.02 H new ATOM 0 HB3 HIS A 18 -2.557 -11.580 -4.303 1.00 2.02 H new ATOM 0 HD1 HIS A 18 -1.304 -14.093 -1.742 1.00 14.24 H new ATOM 0 HD2 HIS A 18 -0.725 -10.093 -2.828 1.00 32.55 H new ATOM 0 HE1 HIS A 18 0.739 -13.286 -0.464 1.00 33.14 H new ATOM 0 HE2 HIS A 18 1.091 -10.861 -1.128 1.00 71.05 H new ATOM 293 N SER A 19 -5.325 -14.078 -2.846 1.00 62.51 N ATOM 294 CA SER A 19 -5.919 -15.321 -2.363 1.00 74.31 C ATOM 295 C SER A 19 -4.851 -16.278 -1.868 1.00 22.24 C ATOM 296 O SER A 19 -5.012 -16.930 -0.832 1.00 71.25 O ATOM 297 CB SER A 19 -6.737 -15.980 -3.476 1.00 10.33 C ATOM 298 OG SER A 19 -7.466 -17.090 -2.986 1.00 1.21 O ATOM 0 H SER A 19 -5.592 -13.841 -3.802 1.00 62.51 H new ATOM 0 HA SER A 19 -6.577 -15.081 -1.528 1.00 74.31 H new ATOM 0 HB2 SER A 19 -7.424 -15.251 -3.906 1.00 10.33 H new ATOM 0 HB3 SER A 19 -6.072 -16.303 -4.277 1.00 10.33 H new ATOM 0 HG SER A 19 -8.256 -16.774 -2.501 1.00 1.21 H new ATOM 304 N GLN A 20 -3.767 -16.364 -2.609 1.00 43.21 N ATOM 305 CA GLN A 20 -2.667 -17.209 -2.228 1.00 23.21 C ATOM 306 C GLN A 20 -1.885 -16.571 -1.090 1.00 34.33 C ATOM 307 O GLN A 20 -0.965 -15.795 -1.316 1.00 71.41 O ATOM 308 CB GLN A 20 -1.758 -17.485 -3.427 1.00 21.21 C ATOM 309 CG GLN A 20 -2.435 -18.274 -4.541 1.00 55.42 C ATOM 310 CD GLN A 20 -1.552 -18.452 -5.767 1.00 32.54 C ATOM 311 OE1 GLN A 20 -2.048 -18.554 -6.892 1.00 61.45 O ATOM 312 NE2 GLN A 20 -0.247 -18.491 -5.567 1.00 42.01 N ATOM 0 H GLN A 20 -3.628 -15.855 -3.482 1.00 43.21 H new ATOM 0 HA GLN A 20 -3.064 -18.163 -1.881 1.00 23.21 H new ATOM 0 HB2 GLN A 20 -1.404 -16.536 -3.830 1.00 21.21 H new ATOM 0 HB3 GLN A 20 -0.880 -18.034 -3.087 1.00 21.21 H new ATOM 0 HG2 GLN A 20 -2.721 -19.255 -4.161 1.00 55.42 H new ATOM 0 HG3 GLN A 20 -3.353 -17.765 -4.833 1.00 55.42 H new ATOM 0 HE21 GLN A 20 0.127 -18.403 -4.622 1.00 42.01 H new ATOM 0 HE22 GLN A 20 0.387 -18.609 -6.357 1.00 42.01 H new ATOM 321 N SER A 21 -2.310 -16.856 0.122 1.00 15.14 N ATOM 322 CA SER A 21 -1.672 -16.360 1.321 1.00 4.41 C ATOM 323 C SER A 21 -2.140 -17.196 2.503 1.00 54.22 C ATOM 324 O SER A 21 -2.865 -18.175 2.318 1.00 23.51 O ATOM 325 CB SER A 21 -2.008 -14.873 1.540 1.00 23.44 C ATOM 326 OG SER A 21 -3.410 -14.665 1.635 1.00 25.23 O ATOM 0 H SER A 21 -3.121 -17.448 0.304 1.00 15.14 H new ATOM 0 HA SER A 21 -0.590 -16.442 1.220 1.00 4.41 H new ATOM 0 HB2 SER A 21 -1.524 -14.520 2.451 1.00 23.44 H new ATOM 0 HB3 SER A 21 -1.606 -14.283 0.716 1.00 23.44 H new ATOM 0 HG SER A 21 -3.748 -14.318 0.783 1.00 25.23 H new ATOM 332 N ARG A 22 -1.732 -16.824 3.708 1.00 53.02 N ATOM 333 CA ARG A 22 -2.138 -17.557 4.908 1.00 51.31 C ATOM 334 C ARG A 22 -3.658 -17.473 5.132 1.00 44.54 C ATOM 335 O ARG A 22 -4.254 -18.380 5.706 1.00 0.22 O ATOM 336 CB ARG A 22 -1.366 -17.073 6.158 1.00 61.23 C ATOM 337 CG ARG A 22 -1.821 -15.730 6.735 1.00 13.03 C ATOM 338 CD ARG A 22 -1.587 -14.574 5.775 1.00 40.13 C ATOM 339 NE ARG A 22 -1.970 -13.303 6.370 1.00 51.04 N ATOM 340 CZ ARG A 22 -2.688 -12.364 5.763 1.00 4.15 C ATOM 341 NH1 ARG A 22 -3.088 -12.526 4.499 1.00 3.54 N ATOM 342 NH2 ARG A 22 -3.000 -11.260 6.418 1.00 14.33 N ATOM 0 H ARG A 22 -1.124 -16.024 3.885 1.00 53.02 H new ATOM 0 HA ARG A 22 -1.883 -18.604 4.747 1.00 51.31 H new ATOM 0 HB2 ARG A 22 -1.456 -17.832 6.935 1.00 61.23 H new ATOM 0 HB3 ARG A 22 -0.308 -17.000 5.905 1.00 61.23 H new ATOM 0 HG2 ARG A 22 -2.881 -15.785 6.981 1.00 13.03 H new ATOM 0 HG3 ARG A 22 -1.287 -15.539 7.666 1.00 13.03 H new ATOM 0 HD2 ARG A 22 -0.535 -14.542 5.491 1.00 40.13 H new ATOM 0 HD3 ARG A 22 -2.159 -14.737 4.861 1.00 40.13 H new ATOM 0 HE ARG A 22 -1.664 -13.119 7.325 1.00 51.04 H new ATOM 0 HH11 ARG A 22 -2.843 -13.376 3.991 1.00 3.54 H new ATOM 0 HH12 ARG A 22 -3.639 -11.800 4.041 1.00 3.54 H new ATOM 0 HH21 ARG A 22 -2.690 -11.134 7.382 1.00 14.33 H new ATOM 0 HH22 ARG A 22 -3.551 -10.534 5.960 1.00 14.33 H new ATOM 356 N ARG A 23 -4.269 -16.381 4.661 1.00 60.53 N ATOM 357 CA ARG A 23 -5.716 -16.172 4.773 1.00 65.12 C ATOM 358 C ARG A 23 -6.122 -14.895 4.047 1.00 30.13 C ATOM 359 O ARG A 23 -5.825 -13.792 4.506 1.00 73.04 O ATOM 360 CB ARG A 23 -6.172 -16.092 6.236 1.00 64.32 C ATOM 361 CG ARG A 23 -7.686 -15.991 6.381 1.00 63.11 C ATOM 362 CD ARG A 23 -8.112 -15.859 7.830 1.00 10.41 C ATOM 363 NE ARG A 23 -7.689 -14.591 8.414 1.00 72.45 N ATOM 364 CZ ARG A 23 -8.115 -14.126 9.589 1.00 41.41 C ATOM 365 NH1 ARG A 23 -8.970 -14.835 10.320 1.00 72.03 N ATOM 366 NH2 ARG A 23 -7.684 -12.952 10.033 1.00 31.30 N ATOM 0 H ARG A 23 -3.777 -15.620 4.193 1.00 60.53 H new ATOM 0 HA ARG A 23 -6.203 -17.032 4.312 1.00 65.12 H new ATOM 0 HB2 ARG A 23 -5.819 -16.974 6.770 1.00 64.32 H new ATOM 0 HB3 ARG A 23 -5.708 -15.226 6.709 1.00 64.32 H new ATOM 0 HG2 ARG A 23 -8.047 -15.131 5.817 1.00 63.11 H new ATOM 0 HG3 ARG A 23 -8.151 -16.875 5.946 1.00 63.11 H new ATOM 0 HD2 ARG A 23 -9.197 -15.945 7.898 1.00 10.41 H new ATOM 0 HD3 ARG A 23 -7.691 -16.682 8.407 1.00 10.41 H new ATOM 0 HE ARG A 23 -7.024 -14.023 7.889 1.00 72.45 H new ATOM 0 HH11 ARG A 23 -9.303 -15.738 9.983 1.00 72.03 H new ATOM 0 HH12 ARG A 23 -9.293 -14.476 11.218 1.00 72.03 H new ATOM 0 HH21 ARG A 23 -7.027 -12.406 9.476 1.00 31.30 H new ATOM 0 HH22 ARG A 23 -8.010 -12.596 10.932 1.00 31.30 H new ATOM 380 N PRO A 24 -6.787 -15.026 2.902 1.00 41.03 N ATOM 381 CA PRO A 24 -7.228 -13.890 2.116 1.00 33.20 C ATOM 382 C PRO A 24 -8.632 -13.401 2.511 1.00 14.23 C ATOM 383 O PRO A 24 -9.644 -13.873 1.977 1.00 35.41 O ATOM 384 CB PRO A 24 -7.232 -14.453 0.704 1.00 70.54 C ATOM 385 CG PRO A 24 -7.562 -15.908 0.866 1.00 73.10 C ATOM 386 CD PRO A 24 -7.145 -16.305 2.265 1.00 64.43 C ATOM 0 HA PRO A 24 -6.590 -13.017 2.252 1.00 33.20 H new ATOM 0 HB2 PRO A 24 -7.970 -13.948 0.080 1.00 70.54 H new ATOM 0 HB3 PRO A 24 -6.263 -14.319 0.223 1.00 70.54 H new ATOM 0 HG2 PRO A 24 -8.628 -16.080 0.718 1.00 73.10 H new ATOM 0 HG3 PRO A 24 -7.036 -16.507 0.123 1.00 73.10 H new ATOM 0 HD2 PRO A 24 -7.955 -16.804 2.797 1.00 64.43 H new ATOM 0 HD3 PRO A 24 -6.301 -16.994 2.250 1.00 64.43 H new ATOM 394 N SER A 25 -8.683 -12.467 3.451 1.00 73.11 N ATOM 395 CA SER A 25 -9.945 -11.912 3.920 1.00 11.31 C ATOM 396 C SER A 25 -9.787 -10.438 4.287 1.00 43.31 C ATOM 397 O SER A 25 -8.681 -9.980 4.601 1.00 73.04 O ATOM 398 CB SER A 25 -10.459 -12.699 5.131 1.00 31.11 C ATOM 399 OG SER A 25 -10.797 -14.030 4.771 1.00 33.55 O ATOM 0 H SER A 25 -7.859 -12.076 3.906 1.00 73.11 H new ATOM 0 HA SER A 25 -10.671 -11.993 3.111 1.00 11.31 H new ATOM 0 HB2 SER A 25 -9.697 -12.712 5.910 1.00 31.11 H new ATOM 0 HB3 SER A 25 -11.333 -12.199 5.549 1.00 31.11 H new ATOM 0 HG SER A 25 -11.598 -14.023 4.207 1.00 33.55 H new ATOM 405 N SER A 26 -10.880 -9.699 4.222 1.00 1.22 N ATOM 406 CA SER A 26 -10.878 -8.299 4.577 1.00 53.41 C ATOM 407 C SER A 26 -12.261 -7.862 5.052 1.00 52.41 C ATOM 408 O SER A 26 -13.197 -8.670 5.104 1.00 62.10 O ATOM 409 CB SER A 26 -10.435 -7.454 3.386 1.00 54.51 C ATOM 410 OG SER A 26 -11.302 -7.632 2.277 1.00 33.44 O ATOM 0 H SER A 26 -11.788 -10.054 3.923 1.00 1.22 H new ATOM 0 HA SER A 26 -10.172 -8.151 5.394 1.00 53.41 H new ATOM 0 HB2 SER A 26 -10.416 -6.402 3.671 1.00 54.51 H new ATOM 0 HB3 SER A 26 -9.418 -7.726 3.103 1.00 54.51 H new ATOM 0 HG SER A 26 -10.913 -7.204 1.486 1.00 33.44 H new ATOM 416 N TRP A 27 -12.383 -6.593 5.402 1.00 73.34 N ATOM 417 CA TRP A 27 -13.647 -6.030 5.856 1.00 22.24 C ATOM 418 C TRP A 27 -14.595 -5.817 4.679 1.00 71.02 C ATOM 419 O TRP A 27 -15.816 -5.772 4.844 1.00 22.33 O ATOM 420 CB TRP A 27 -13.402 -4.699 6.586 1.00 43.34 C ATOM 421 CG TRP A 27 -12.615 -3.697 5.780 1.00 20.43 C ATOM 422 CD1 TRP A 27 -11.256 -3.573 5.733 1.00 43.23 C ATOM 423 CD2 TRP A 27 -13.140 -2.681 4.912 1.00 40.42 C ATOM 424 NE1 TRP A 27 -10.905 -2.551 4.886 1.00 11.33 N ATOM 425 CE2 TRP A 27 -12.041 -1.988 4.370 1.00 3.24 C ATOM 426 CE3 TRP A 27 -14.431 -2.293 4.537 1.00 72.42 C ATOM 427 CZ2 TRP A 27 -12.192 -0.930 3.476 1.00 11.03 C ATOM 428 CZ3 TRP A 27 -14.580 -1.243 3.651 1.00 71.50 C ATOM 429 CH2 TRP A 27 -13.466 -0.573 3.128 1.00 22.00 C ATOM 0 H TRP A 27 -11.613 -5.925 5.380 1.00 73.34 H new ATOM 0 HA TRP A 27 -14.109 -6.734 6.548 1.00 22.24 H new ATOM 0 HB2 TRP A 27 -14.363 -4.261 6.854 1.00 43.34 H new ATOM 0 HB3 TRP A 27 -12.872 -4.899 7.517 1.00 43.34 H new ATOM 0 HD1 TRP A 27 -10.559 -4.189 6.282 1.00 43.23 H new ATOM 0 HE1 TRP A 27 -9.951 -2.258 4.675 1.00 11.33 H new ATOM 0 HE3 TRP A 27 -15.296 -2.805 4.933 1.00 72.42 H new ATOM 0 HZ2 TRP A 27 -11.335 -0.411 3.073 1.00 11.03 H new ATOM 0 HZ3 TRP A 27 -15.572 -0.934 3.357 1.00 71.50 H new ATOM 0 HH2 TRP A 27 -13.616 0.242 2.436 1.00 22.00 H new ATOM 440 N ARG A 28 -14.022 -5.697 3.498 1.00 63.42 N ATOM 441 CA ARG A 28 -14.789 -5.451 2.292 1.00 23.23 C ATOM 442 C ARG A 28 -15.061 -6.746 1.536 1.00 24.44 C ATOM 443 O ARG A 28 -16.010 -6.830 0.765 1.00 20.35 O ATOM 444 CB ARG A 28 -14.043 -4.467 1.387 1.00 44.11 C ATOM 445 CG ARG A 28 -12.610 -4.881 1.091 1.00 33.34 C ATOM 446 CD ARG A 28 -11.981 -4.014 0.015 1.00 60.42 C ATOM 447 NE ARG A 28 -12.723 -4.087 -1.244 1.00 11.24 N ATOM 448 CZ ARG A 28 -12.601 -5.073 -2.145 1.00 2.32 C ATOM 449 NH1 ARG A 28 -11.774 -6.099 -1.925 1.00 14.24 N ATOM 450 NH2 ARG A 28 -13.311 -5.033 -3.262 1.00 30.22 N ATOM 0 H ARG A 28 -13.016 -5.767 3.347 1.00 63.42 H new ATOM 0 HA ARG A 28 -15.747 -5.020 2.584 1.00 23.23 H new ATOM 0 HB2 ARG A 28 -14.586 -4.368 0.447 1.00 44.11 H new ATOM 0 HB3 ARG A 28 -14.039 -3.484 1.858 1.00 44.11 H new ATOM 0 HG2 ARG A 28 -12.017 -4.815 2.003 1.00 33.34 H new ATOM 0 HG3 ARG A 28 -12.591 -5.924 0.774 1.00 33.34 H new ATOM 0 HD2 ARG A 28 -11.945 -2.979 0.356 1.00 60.42 H new ATOM 0 HD3 ARG A 28 -10.951 -4.331 -0.151 1.00 60.42 H new ATOM 0 HE ARG A 28 -13.380 -3.335 -1.451 1.00 11.24 H new ATOM 0 HH11 ARG A 28 -11.227 -6.138 -1.065 1.00 14.24 H new ATOM 0 HH12 ARG A 28 -11.689 -6.843 -2.617 1.00 14.24 H new ATOM 0 HH21 ARG A 28 -13.947 -4.255 -3.434 1.00 30.22 H new ATOM 0 HH22 ARG A 28 -13.222 -5.781 -3.950 1.00 30.22 H new ATOM 464 N GLN A 29 -14.229 -7.748 1.762 1.00 42.41 N ATOM 465 CA GLN A 29 -14.363 -9.014 1.071 1.00 2.03 C ATOM 466 C GLN A 29 -14.115 -10.170 2.039 1.00 3.41 C ATOM 467 O GLN A 29 -13.023 -10.303 2.588 1.00 63.23 O ATOM 468 CB GLN A 29 -13.363 -9.065 -0.093 1.00 32.13 C ATOM 469 CG GLN A 29 -13.551 -10.237 -1.039 1.00 34.20 C ATOM 470 CD GLN A 29 -14.887 -10.209 -1.756 1.00 24.50 C ATOM 471 OE1 GLN A 29 -15.459 -9.146 -2.000 1.00 41.42 O ATOM 472 NE2 GLN A 29 -15.382 -11.370 -2.110 1.00 34.30 N ATOM 0 H GLN A 29 -13.452 -7.707 2.421 1.00 42.41 H new ATOM 0 HA GLN A 29 -15.375 -9.108 0.677 1.00 2.03 H new ATOM 0 HB2 GLN A 29 -13.442 -8.139 -0.663 1.00 32.13 H new ATOM 0 HB3 GLN A 29 -12.353 -9.103 0.315 1.00 32.13 H new ATOM 0 HG2 GLN A 29 -12.749 -10.234 -1.777 1.00 34.20 H new ATOM 0 HG3 GLN A 29 -13.465 -11.168 -0.478 1.00 34.20 H new ATOM 0 HE21 GLN A 29 -14.877 -12.228 -1.889 1.00 34.30 H new ATOM 0 HE22 GLN A 29 -16.272 -11.415 -2.606 1.00 34.30 H new ATOM 481 N GLU A 30 -15.136 -10.992 2.258 1.00 3.43 N ATOM 482 CA GLU A 30 -15.024 -12.135 3.167 1.00 22.11 C ATOM 483 C GLU A 30 -13.970 -13.132 2.675 1.00 44.13 C ATOM 484 O GLU A 30 -13.184 -13.661 3.463 1.00 50.25 O ATOM 485 CB GLU A 30 -16.388 -12.819 3.352 1.00 22.13 C ATOM 486 CG GLU A 30 -17.049 -13.254 2.056 1.00 13.20 C ATOM 487 CD GLU A 30 -18.400 -13.891 2.273 1.00 3.03 C ATOM 488 OE1 GLU A 30 -18.465 -15.132 2.379 1.00 63.11 O ATOM 489 OE2 GLU A 30 -19.408 -13.160 2.344 1.00 24.42 O ATOM 0 H GLU A 30 -16.052 -10.891 1.820 1.00 3.43 H new ATOM 0 HA GLU A 30 -14.698 -11.762 4.138 1.00 22.11 H new ATOM 0 HB2 GLU A 30 -16.260 -13.692 3.992 1.00 22.13 H new ATOM 0 HB3 GLU A 30 -17.056 -12.135 3.876 1.00 22.13 H new ATOM 0 HG2 GLU A 30 -17.161 -12.389 1.403 1.00 13.20 H new ATOM 0 HG3 GLU A 30 -16.398 -13.960 1.541 1.00 13.20 H new ATOM 496 N LYS A 31 -13.955 -13.376 1.375 1.00 5.42 N ATOM 497 CA LYS A 31 -12.974 -14.256 0.779 1.00 21.00 C ATOM 498 C LYS A 31 -12.416 -13.634 -0.485 1.00 20.51 C ATOM 499 O LYS A 31 -13.140 -13.432 -1.461 1.00 53.52 O ATOM 500 CB LYS A 31 -13.576 -15.624 0.450 1.00 52.51 C ATOM 501 CG LYS A 31 -12.572 -16.589 -0.175 1.00 75.22 C ATOM 502 CD LYS A 31 -13.251 -17.797 -0.804 1.00 71.55 C ATOM 503 CE LYS A 31 -13.980 -18.638 0.226 1.00 54.43 C ATOM 504 NZ LYS A 31 -14.609 -19.828 -0.389 1.00 64.54 N ATOM 0 H LYS A 31 -14.617 -12.972 0.712 1.00 5.42 H new ATOM 0 HA LYS A 31 -12.173 -14.398 1.504 1.00 21.00 H new ATOM 0 HB2 LYS A 31 -13.976 -16.067 1.362 1.00 52.51 H new ATOM 0 HB3 LYS A 31 -14.415 -15.490 -0.233 1.00 52.51 H new ATOM 0 HG2 LYS A 31 -11.991 -16.065 -0.934 1.00 75.22 H new ATOM 0 HG3 LYS A 31 -11.870 -16.925 0.588 1.00 75.22 H new ATOM 0 HD2 LYS A 31 -13.957 -17.462 -1.564 1.00 71.55 H new ATOM 0 HD3 LYS A 31 -12.505 -18.410 -1.310 1.00 71.55 H new ATOM 0 HE2 LYS A 31 -13.280 -18.954 0.999 1.00 54.43 H new ATOM 0 HE3 LYS A 31 -14.744 -18.034 0.715 1.00 54.43 H new ATOM 0 HZ1 LYS A 31 -15.098 -20.380 0.344 1.00 64.54 H new ATOM 0 HZ2 LYS A 31 -15.295 -19.525 -1.110 1.00 64.54 H new ATOM 0 HZ3 LYS A 31 -13.876 -20.417 -0.834 1.00 64.54 H new ATOM 518 N ILE A 32 -11.145 -13.319 -0.461 1.00 32.04 N ATOM 519 CA ILE A 32 -10.484 -12.752 -1.615 1.00 21.45 C ATOM 520 C ILE A 32 -9.945 -13.880 -2.484 1.00 53.13 C ATOM 521 O ILE A 32 -9.062 -14.622 -2.067 1.00 4.21 O ATOM 522 CB ILE A 32 -9.339 -11.814 -1.190 1.00 14.03 C ATOM 523 CG1 ILE A 32 -9.868 -10.759 -0.215 1.00 24.24 C ATOM 524 CG2 ILE A 32 -8.712 -11.154 -2.410 1.00 21.12 C ATOM 525 CD1 ILE A 32 -8.792 -9.897 0.394 1.00 52.34 C ATOM 0 H ILE A 32 -10.541 -13.446 0.351 1.00 32.04 H new ATOM 0 HA ILE A 32 -11.205 -12.162 -2.182 1.00 21.45 H new ATOM 0 HB ILE A 32 -8.568 -12.399 -0.688 1.00 14.03 H new ATOM 0 HG12 ILE A 32 -10.580 -10.120 -0.737 1.00 24.24 H new ATOM 0 HG13 ILE A 32 -10.415 -11.259 0.584 1.00 24.24 H new ATOM 0 HG21 ILE A 32 -7.905 -10.494 -2.092 1.00 21.12 H new ATOM 0 HG22 ILE A 32 -8.314 -11.921 -3.074 1.00 21.12 H new ATOM 0 HG23 ILE A 32 -9.468 -10.573 -2.938 1.00 21.12 H new ATOM 0 HD11 ILE A 32 -9.245 -9.175 1.073 1.00 52.34 H new ATOM 0 HD12 ILE A 32 -8.092 -10.524 0.946 1.00 52.34 H new ATOM 0 HD13 ILE A 32 -8.259 -9.368 -0.396 1.00 52.34 H new ATOM 537 N THR A 33 -10.487 -14.011 -3.678 1.00 42.23 N ATOM 538 CA THR A 33 -10.138 -15.113 -4.560 1.00 43.30 C ATOM 539 C THR A 33 -9.187 -14.706 -5.692 1.00 20.05 C ATOM 540 O THR A 33 -8.863 -15.519 -6.556 1.00 13.55 O ATOM 541 CB THR A 33 -11.409 -15.736 -5.154 1.00 53.04 C ATOM 542 OG1 THR A 33 -12.293 -14.693 -5.602 1.00 43.41 O ATOM 543 CG2 THR A 33 -12.122 -16.590 -4.119 1.00 74.24 C ATOM 0 H THR A 33 -11.175 -13.365 -4.064 1.00 42.23 H new ATOM 0 HA THR A 33 -9.609 -15.843 -3.947 1.00 43.30 H new ATOM 0 HB THR A 33 -11.125 -16.368 -5.995 1.00 53.04 H new ATOM 0 HG1 THR A 33 -13.103 -15.092 -5.983 1.00 43.41 H new ATOM 0 HG21 THR A 33 -13.020 -17.022 -4.560 1.00 74.24 H new ATOM 0 HG22 THR A 33 -11.459 -17.390 -3.788 1.00 74.24 H new ATOM 0 HG23 THR A 33 -12.399 -15.972 -3.265 1.00 74.24 H new ATOM 551 N ARG A 34 -8.732 -13.463 -5.681 1.00 3.22 N ATOM 552 CA ARG A 34 -7.825 -12.989 -6.725 1.00 42.13 C ATOM 553 C ARG A 34 -6.401 -13.513 -6.484 1.00 64.44 C ATOM 554 O ARG A 34 -5.894 -13.472 -5.360 1.00 24.42 O ATOM 555 CB ARG A 34 -7.812 -11.453 -6.780 1.00 54.51 C ATOM 556 CG ARG A 34 -7.102 -10.805 -5.603 1.00 62.11 C ATOM 557 CD ARG A 34 -7.009 -9.303 -5.749 1.00 40.34 C ATOM 558 NE ARG A 34 -8.302 -8.649 -5.595 1.00 24.34 N ATOM 559 CZ ARG A 34 -8.654 -7.928 -4.529 1.00 31.24 C ATOM 560 NH1 ARG A 34 -7.862 -7.890 -3.453 1.00 34.12 N ATOM 561 NH2 ARG A 34 -9.806 -7.277 -4.524 1.00 60.33 N ATOM 0 H ARG A 34 -8.969 -12.769 -4.972 1.00 3.22 H new ATOM 0 HA ARG A 34 -8.185 -13.371 -7.680 1.00 42.13 H new ATOM 0 HB2 ARG A 34 -7.329 -11.136 -7.704 1.00 54.51 H new ATOM 0 HB3 ARG A 34 -8.839 -11.091 -6.817 1.00 54.51 H new ATOM 0 HG2 ARG A 34 -7.633 -11.047 -4.682 1.00 62.11 H new ATOM 0 HG3 ARG A 34 -6.099 -11.222 -5.511 1.00 62.11 H new ATOM 0 HD2 ARG A 34 -6.316 -8.911 -5.005 1.00 40.34 H new ATOM 0 HD3 ARG A 34 -6.597 -9.061 -6.728 1.00 40.34 H new ATOM 0 HE ARG A 34 -8.981 -8.749 -6.350 1.00 24.34 H new ATOM 0 HH11 ARG A 34 -6.986 -8.413 -3.446 1.00 34.12 H new ATOM 0 HH12 ARG A 34 -8.133 -7.338 -2.639 1.00 34.12 H new ATOM 0 HH21 ARG A 34 -10.423 -7.327 -5.334 1.00 60.33 H new ATOM 0 HH22 ARG A 34 -10.077 -6.725 -3.710 1.00 60.33 H new ATOM 575 N THR A 35 -5.768 -14.015 -7.524 1.00 23.24 N ATOM 576 CA THR A 35 -4.402 -14.491 -7.412 1.00 73.51 C ATOM 577 C THR A 35 -3.416 -13.309 -7.481 1.00 21.30 C ATOM 578 O THR A 35 -3.828 -12.155 -7.659 1.00 24.54 O ATOM 579 CB THR A 35 -4.064 -15.556 -8.501 1.00 64.55 C ATOM 580 OG1 THR A 35 -2.728 -16.042 -8.328 1.00 74.22 O ATOM 581 CG2 THR A 35 -4.214 -14.985 -9.901 1.00 42.55 C ATOM 0 H THR A 35 -6.175 -14.105 -8.455 1.00 23.24 H new ATOM 0 HA THR A 35 -4.302 -14.979 -6.442 1.00 73.51 H new ATOM 0 HB THR A 35 -4.770 -16.378 -8.384 1.00 64.55 H new ATOM 0 HG1 THR A 35 -2.747 -16.874 -7.810 1.00 74.22 H new ATOM 0 HG21 THR A 35 -3.971 -15.753 -10.635 1.00 42.55 H new ATOM 0 HG22 THR A 35 -5.241 -14.652 -10.050 1.00 42.55 H new ATOM 0 HG23 THR A 35 -3.537 -14.139 -10.023 1.00 42.55 H new ATOM 589 N LYS A 36 -2.129 -13.600 -7.340 1.00 62.02 N ATOM 590 CA LYS A 36 -1.090 -12.574 -7.349 1.00 22.23 C ATOM 591 C LYS A 36 -1.102 -11.794 -8.662 1.00 34.55 C ATOM 592 O LYS A 36 -0.969 -10.569 -8.669 1.00 1.01 O ATOM 593 CB LYS A 36 0.289 -13.219 -7.095 1.00 21.55 C ATOM 594 CG LYS A 36 1.470 -12.248 -7.109 1.00 12.01 C ATOM 595 CD LYS A 36 2.085 -12.122 -8.497 1.00 61.32 C ATOM 596 CE LYS A 36 3.249 -11.147 -8.501 1.00 52.35 C ATOM 597 NZ LYS A 36 3.939 -11.112 -9.813 1.00 2.33 N ATOM 0 H LYS A 36 -1.775 -14.549 -7.217 1.00 62.02 H new ATOM 0 HA LYS A 36 -1.293 -11.864 -6.547 1.00 22.23 H new ATOM 0 HB2 LYS A 36 0.265 -13.724 -6.129 1.00 21.55 H new ATOM 0 HB3 LYS A 36 0.459 -13.985 -7.851 1.00 21.55 H new ATOM 0 HG2 LYS A 36 1.138 -11.267 -6.769 1.00 12.01 H new ATOM 0 HG3 LYS A 36 2.229 -12.589 -6.405 1.00 12.01 H new ATOM 0 HD2 LYS A 36 2.427 -13.100 -8.835 1.00 61.32 H new ATOM 0 HD3 LYS A 36 1.326 -11.787 -9.204 1.00 61.32 H new ATOM 0 HE2 LYS A 36 2.887 -10.149 -8.255 1.00 52.35 H new ATOM 0 HE3 LYS A 36 3.960 -11.428 -7.725 1.00 52.35 H new ATOM 0 HZ1 LYS A 36 4.727 -10.434 -9.773 1.00 2.33 H new ATOM 0 HZ2 LYS A 36 4.307 -12.058 -10.037 1.00 2.33 H new ATOM 0 HZ3 LYS A 36 3.267 -10.819 -10.551 1.00 2.33 H new ATOM 611 N GLU A 37 -1.285 -12.505 -9.763 1.00 3.44 N ATOM 612 CA GLU A 37 -1.307 -11.885 -11.080 1.00 14.02 C ATOM 613 C GLU A 37 -2.472 -10.908 -11.220 1.00 4.42 C ATOM 614 O GLU A 37 -2.336 -9.851 -11.831 1.00 24.23 O ATOM 615 CB GLU A 37 -1.376 -12.947 -12.167 1.00 42.14 C ATOM 616 CG GLU A 37 -0.158 -13.846 -12.224 1.00 74.22 C ATOM 617 CD GLU A 37 -0.238 -14.838 -13.353 1.00 22.42 C ATOM 618 OE1 GLU A 37 -0.003 -14.444 -14.513 1.00 4.43 O ATOM 619 OE2 GLU A 37 -0.545 -16.022 -13.091 1.00 24.41 O ATOM 0 H GLU A 37 -1.421 -13.516 -9.771 1.00 3.44 H new ATOM 0 HA GLU A 37 -0.382 -11.320 -11.195 1.00 14.02 H new ATOM 0 HB2 GLU A 37 -2.262 -13.561 -12.006 1.00 42.14 H new ATOM 0 HB3 GLU A 37 -1.500 -12.457 -13.133 1.00 42.14 H new ATOM 0 HG2 GLU A 37 0.737 -13.235 -12.341 1.00 74.22 H new ATOM 0 HG3 GLU A 37 -0.058 -14.380 -11.279 1.00 74.22 H new ATOM 626 N GLU A 38 -3.611 -11.262 -10.642 1.00 74.02 N ATOM 627 CA GLU A 38 -4.785 -10.404 -10.698 1.00 51.33 C ATOM 628 C GLU A 38 -4.542 -9.130 -9.908 1.00 61.13 C ATOM 629 O GLU A 38 -4.882 -8.035 -10.355 1.00 42.14 O ATOM 630 CB GLU A 38 -6.010 -11.130 -10.146 1.00 65.11 C ATOM 631 CG GLU A 38 -6.387 -12.380 -10.917 1.00 1.11 C ATOM 632 CD GLU A 38 -6.673 -12.104 -12.371 1.00 40.34 C ATOM 633 OE1 GLU A 38 -6.023 -12.723 -13.236 1.00 54.53 O ATOM 634 OE2 GLU A 38 -7.541 -11.257 -12.658 1.00 21.43 O ATOM 0 H GLU A 38 -3.747 -12.134 -10.131 1.00 74.02 H new ATOM 0 HA GLU A 38 -4.972 -10.148 -11.741 1.00 51.33 H new ATOM 0 HB2 GLU A 38 -5.822 -11.400 -9.107 1.00 65.11 H new ATOM 0 HB3 GLU A 38 -6.857 -10.445 -10.149 1.00 65.11 H new ATOM 0 HG2 GLU A 38 -5.577 -13.106 -10.842 1.00 1.11 H new ATOM 0 HG3 GLU A 38 -7.266 -12.834 -10.458 1.00 1.11 H new ATOM 641 N ALA A 39 -3.937 -9.286 -8.740 1.00 23.22 N ATOM 642 CA ALA A 39 -3.637 -8.163 -7.872 1.00 2.41 C ATOM 643 C ALA A 39 -2.636 -7.220 -8.525 1.00 73.14 C ATOM 644 O ALA A 39 -2.781 -6.004 -8.446 1.00 73.31 O ATOM 645 CB ALA A 39 -3.107 -8.659 -6.534 1.00 55.51 C ATOM 0 H ALA A 39 -3.643 -10.190 -8.371 1.00 23.22 H new ATOM 0 HA ALA A 39 -4.559 -7.608 -7.701 1.00 2.41 H new ATOM 0 HB1 ALA A 39 -2.886 -7.807 -5.892 1.00 55.51 H new ATOM 0 HB2 ALA A 39 -3.858 -9.288 -6.056 1.00 55.51 H new ATOM 0 HB3 ALA A 39 -2.198 -9.238 -6.695 1.00 55.51 H new ATOM 651 N LEU A 40 -1.635 -7.793 -9.186 1.00 61.14 N ATOM 652 CA LEU A 40 -0.592 -7.013 -9.847 1.00 31.44 C ATOM 653 C LEU A 40 -1.202 -6.085 -10.901 1.00 22.31 C ATOM 654 O LEU A 40 -0.890 -4.890 -10.943 1.00 52.12 O ATOM 655 CB LEU A 40 0.457 -7.962 -10.475 1.00 11.24 C ATOM 656 CG LEU A 40 1.815 -7.345 -10.890 1.00 41.44 C ATOM 657 CD1 LEU A 40 1.695 -6.516 -12.158 1.00 0.41 C ATOM 658 CD2 LEU A 40 2.394 -6.504 -9.759 1.00 63.23 C ATOM 0 H LEU A 40 -1.523 -8.803 -9.279 1.00 61.14 H new ATOM 0 HA LEU A 40 -0.091 -6.389 -9.107 1.00 31.44 H new ATOM 0 HB2 LEU A 40 0.654 -8.764 -9.764 1.00 11.24 H new ATOM 0 HB3 LEU A 40 0.011 -8.421 -11.358 1.00 11.24 H new ATOM 0 HG LEU A 40 2.496 -8.171 -11.098 1.00 41.44 H new ATOM 0 HD11 LEU A 40 2.670 -6.101 -12.415 1.00 0.41 H new ATOM 0 HD12 LEU A 40 1.343 -7.148 -12.974 1.00 0.41 H new ATOM 0 HD13 LEU A 40 0.986 -5.704 -11.996 1.00 0.41 H new ATOM 0 HD21 LEU A 40 3.348 -6.080 -10.072 1.00 63.23 H new ATOM 0 HD22 LEU A 40 1.702 -5.698 -9.514 1.00 63.23 H new ATOM 0 HD23 LEU A 40 2.547 -7.131 -8.881 1.00 63.23 H new ATOM 670 N GLU A 41 -2.083 -6.635 -11.733 1.00 53.41 N ATOM 671 CA GLU A 41 -2.738 -5.853 -12.777 1.00 64.33 C ATOM 672 C GLU A 41 -3.591 -4.742 -12.167 1.00 42.14 C ATOM 673 O GLU A 41 -3.673 -3.631 -12.707 1.00 33.13 O ATOM 674 CB GLU A 41 -3.598 -6.750 -13.669 1.00 13.42 C ATOM 675 CG GLU A 41 -2.825 -7.869 -14.347 1.00 55.52 C ATOM 676 CD GLU A 41 -1.635 -7.368 -15.137 1.00 24.13 C ATOM 677 OE1 GLU A 41 -0.491 -7.526 -14.663 1.00 1.11 O ATOM 678 OE2 GLU A 41 -1.833 -6.813 -16.236 1.00 4.24 O ATOM 0 H GLU A 41 -2.359 -7.617 -11.704 1.00 53.41 H new ATOM 0 HA GLU A 41 -1.962 -5.397 -13.391 1.00 64.33 H new ATOM 0 HB2 GLU A 41 -4.396 -7.186 -13.068 1.00 13.42 H new ATOM 0 HB3 GLU A 41 -4.074 -6.136 -14.433 1.00 13.42 H new ATOM 0 HG2 GLU A 41 -2.482 -8.576 -13.592 1.00 55.52 H new ATOM 0 HG3 GLU A 41 -3.494 -8.414 -15.013 1.00 55.52 H new ATOM 685 N LEU A 42 -4.222 -5.040 -11.037 1.00 55.31 N ATOM 686 CA LEU A 42 -5.029 -4.054 -10.340 1.00 64.33 C ATOM 687 C LEU A 42 -4.142 -2.943 -9.799 1.00 4.34 C ATOM 688 O LEU A 42 -4.430 -1.760 -9.988 1.00 54.10 O ATOM 689 CB LEU A 42 -5.822 -4.700 -9.199 1.00 34.24 C ATOM 690 CG LEU A 42 -6.826 -5.779 -9.611 1.00 33.10 C ATOM 691 CD1 LEU A 42 -7.539 -6.336 -8.392 1.00 53.05 C ATOM 692 CD2 LEU A 42 -7.832 -5.228 -10.614 1.00 63.32 C ATOM 0 H LEU A 42 -4.189 -5.955 -10.587 1.00 55.31 H new ATOM 0 HA LEU A 42 -5.740 -3.631 -11.050 1.00 64.33 H new ATOM 0 HB2 LEU A 42 -5.116 -5.138 -8.494 1.00 34.24 H new ATOM 0 HB3 LEU A 42 -6.359 -3.916 -8.666 1.00 34.24 H new ATOM 0 HG LEU A 42 -6.277 -6.590 -10.090 1.00 33.10 H new ATOM 0 HD11 LEU A 42 -8.249 -7.102 -8.704 1.00 53.05 H new ATOM 0 HD12 LEU A 42 -6.809 -6.774 -7.712 1.00 53.05 H new ATOM 0 HD13 LEU A 42 -8.072 -5.533 -7.884 1.00 53.05 H new ATOM 0 HD21 LEU A 42 -8.535 -6.013 -10.892 1.00 63.32 H new ATOM 0 HD22 LEU A 42 -8.375 -4.396 -10.165 1.00 63.32 H new ATOM 0 HD23 LEU A 42 -7.306 -4.880 -11.503 1.00 63.32 H new ATOM 704 N ILE A 43 -3.054 -3.337 -9.146 1.00 71.03 N ATOM 705 CA ILE A 43 -2.087 -2.397 -8.586 1.00 24.04 C ATOM 706 C ILE A 43 -1.570 -1.453 -9.660 1.00 1.01 C ATOM 707 O ILE A 43 -1.613 -0.233 -9.496 1.00 54.01 O ATOM 708 CB ILE A 43 -0.890 -3.147 -7.937 1.00 3.15 C ATOM 709 CG1 ILE A 43 -1.342 -3.911 -6.688 1.00 23.20 C ATOM 710 CG2 ILE A 43 0.250 -2.189 -7.598 1.00 33.45 C ATOM 711 CD1 ILE A 43 -1.839 -3.024 -5.565 1.00 50.42 C ATOM 0 H ILE A 43 -2.817 -4.317 -8.990 1.00 71.03 H new ATOM 0 HA ILE A 43 -2.599 -1.819 -7.817 1.00 24.04 H new ATOM 0 HB ILE A 43 -0.515 -3.866 -8.666 1.00 3.15 H new ATOM 0 HG12 ILE A 43 -2.135 -4.604 -6.967 1.00 23.20 H new ATOM 0 HG13 ILE A 43 -0.509 -4.511 -6.321 1.00 23.20 H new ATOM 0 HG21 ILE A 43 1.071 -2.746 -7.146 1.00 33.45 H new ATOM 0 HG22 ILE A 43 0.600 -1.703 -8.509 1.00 33.45 H new ATOM 0 HG23 ILE A 43 -0.106 -1.434 -6.897 1.00 33.45 H new ATOM 0 HD11 ILE A 43 -2.139 -3.642 -4.719 1.00 50.42 H new ATOM 0 HD12 ILE A 43 -1.042 -2.348 -5.256 1.00 50.42 H new ATOM 0 HD13 ILE A 43 -2.694 -2.443 -5.911 1.00 50.42 H new ATOM 723 N ASN A 44 -1.105 -2.025 -10.768 1.00 60.02 N ATOM 724 CA ASN A 44 -0.567 -1.240 -11.880 1.00 65.33 C ATOM 725 C ASN A 44 -1.611 -0.239 -12.377 1.00 61.30 C ATOM 726 O ASN A 44 -1.295 0.923 -12.656 1.00 51.21 O ATOM 727 CB ASN A 44 -0.134 -2.168 -13.023 1.00 52.41 C ATOM 728 CG ASN A 44 0.794 -1.491 -14.023 1.00 41.22 C ATOM 729 OD1 ASN A 44 0.739 -0.280 -14.229 1.00 72.31 O ATOM 730 ND2 ASN A 44 1.649 -2.273 -14.649 1.00 11.23 N ATOM 0 H ASN A 44 -1.089 -3.033 -10.921 1.00 60.02 H new ATOM 0 HA ASN A 44 0.305 -0.688 -11.528 1.00 65.33 H new ATOM 0 HB2 ASN A 44 0.367 -3.041 -12.604 1.00 52.41 H new ATOM 0 HB3 ASN A 44 -1.020 -2.529 -13.545 1.00 52.41 H new ATOM 0 HD21 ASN A 44 2.296 -1.878 -15.332 1.00 11.23 H new ATOM 0 HD22 ASN A 44 1.664 -3.273 -14.451 1.00 11.23 H new ATOM 737 N GLY A 45 -2.857 -0.697 -12.464 1.00 51.42 N ATOM 738 CA GLY A 45 -3.940 0.164 -12.893 1.00 63.01 C ATOM 739 C GLY A 45 -4.119 1.358 -11.975 1.00 32.12 C ATOM 740 O GLY A 45 -4.239 2.491 -12.441 1.00 2.43 O ATOM 0 H GLY A 45 -3.134 -1.654 -12.244 1.00 51.42 H new ATOM 0 HA2 GLY A 45 -3.745 0.513 -13.907 1.00 63.01 H new ATOM 0 HA3 GLY A 45 -4.867 -0.409 -12.926 1.00 63.01 H new ATOM 744 N TYR A 46 -4.116 1.105 -10.663 1.00 42.54 N ATOM 745 CA TYR A 46 -4.268 2.174 -9.676 1.00 63.34 C ATOM 746 C TYR A 46 -3.117 3.163 -9.770 1.00 74.03 C ATOM 747 O TYR A 46 -3.330 4.371 -9.756 1.00 2.02 O ATOM 748 CB TYR A 46 -4.355 1.611 -8.248 1.00 25.11 C ATOM 749 CG TYR A 46 -5.638 0.864 -7.948 1.00 11.33 C ATOM 750 CD1 TYR A 46 -5.616 -0.475 -7.577 1.00 5.41 C ATOM 751 CD2 TYR A 46 -6.869 1.499 -8.031 1.00 53.21 C ATOM 752 CE1 TYR A 46 -6.784 -1.159 -7.302 1.00 64.24 C ATOM 753 CE2 TYR A 46 -8.041 0.822 -7.757 1.00 31.51 C ATOM 754 CZ TYR A 46 -7.993 -0.507 -7.394 1.00 40.32 C ATOM 755 OH TYR A 46 -9.162 -1.186 -7.121 1.00 13.42 O ATOM 0 H TYR A 46 -4.010 0.173 -10.263 1.00 42.54 H new ATOM 0 HA TYR A 46 -5.201 2.692 -9.899 1.00 63.34 H new ATOM 0 HB2 TYR A 46 -3.511 0.941 -8.082 1.00 25.11 H new ATOM 0 HB3 TYR A 46 -4.253 2.433 -7.539 1.00 25.11 H new ATOM 0 HD1 TYR A 46 -4.669 -0.990 -7.502 1.00 5.41 H new ATOM 0 HD2 TYR A 46 -6.911 2.540 -8.315 1.00 53.21 H new ATOM 0 HE1 TYR A 46 -6.749 -2.200 -7.016 1.00 64.24 H new ATOM 0 HE2 TYR A 46 -8.991 1.331 -7.827 1.00 31.51 H new ATOM 0 HH TYR A 46 -9.733 -0.636 -6.545 1.00 13.42 H new ATOM 765 N ILE A 47 -1.898 2.636 -9.883 1.00 40.32 N ATOM 766 CA ILE A 47 -0.692 3.462 -9.977 1.00 53.41 C ATOM 767 C ILE A 47 -0.825 4.519 -11.079 1.00 40.12 C ATOM 768 O ILE A 47 -0.557 5.706 -10.856 1.00 1.01 O ATOM 769 CB ILE A 47 0.565 2.588 -10.239 1.00 33.01 C ATOM 770 CG1 ILE A 47 0.843 1.677 -9.038 1.00 51.41 C ATOM 771 CG2 ILE A 47 1.781 3.455 -10.546 1.00 24.24 C ATOM 772 CD1 ILE A 47 2.022 0.746 -9.234 1.00 61.33 C ATOM 0 H ILE A 47 -1.718 1.632 -9.912 1.00 40.32 H new ATOM 0 HA ILE A 47 -0.575 3.970 -9.020 1.00 53.41 H new ATOM 0 HB ILE A 47 0.368 1.964 -11.111 1.00 33.01 H new ATOM 0 HG12 ILE A 47 1.023 2.296 -8.159 1.00 51.41 H new ATOM 0 HG13 ILE A 47 -0.047 1.082 -8.832 1.00 51.41 H new ATOM 0 HG21 ILE A 47 2.647 2.817 -10.725 1.00 24.24 H new ATOM 0 HG22 ILE A 47 1.584 4.057 -11.433 1.00 24.24 H new ATOM 0 HG23 ILE A 47 1.983 4.111 -9.699 1.00 24.24 H new ATOM 0 HD11 ILE A 47 2.155 0.134 -8.342 1.00 61.33 H new ATOM 0 HD12 ILE A 47 1.837 0.100 -10.092 1.00 61.33 H new ATOM 0 HD13 ILE A 47 2.924 1.333 -9.409 1.00 61.33 H new ATOM 784 N GLN A 48 -1.261 4.090 -12.248 1.00 41.12 N ATOM 785 CA GLN A 48 -1.420 4.993 -13.375 1.00 24.40 C ATOM 786 C GLN A 48 -2.633 5.900 -13.196 1.00 35.41 C ATOM 787 O GLN A 48 -2.561 7.103 -13.443 1.00 25.23 O ATOM 788 CB GLN A 48 -1.538 4.208 -14.681 1.00 1.24 C ATOM 789 CG GLN A 48 -0.274 3.455 -15.062 1.00 73.05 C ATOM 790 CD GLN A 48 0.923 4.373 -15.205 1.00 52.12 C ATOM 791 OE1 GLN A 48 0.783 5.544 -15.558 1.00 33.43 O ATOM 792 NE2 GLN A 48 2.101 3.854 -14.943 1.00 32.43 N ATOM 0 H GLN A 48 -1.512 3.121 -12.443 1.00 41.12 H new ATOM 0 HA GLN A 48 -0.531 5.622 -13.420 1.00 24.40 H new ATOM 0 HB2 GLN A 48 -2.360 3.498 -14.594 1.00 1.24 H new ATOM 0 HB3 GLN A 48 -1.796 4.897 -15.486 1.00 1.24 H new ATOM 0 HG2 GLN A 48 -0.062 2.700 -14.305 1.00 73.05 H new ATOM 0 HG3 GLN A 48 -0.438 2.927 -16.001 1.00 73.05 H new ATOM 0 HE21 GLN A 48 2.176 2.879 -14.653 1.00 32.43 H new ATOM 0 HE22 GLN A 48 2.941 4.426 -15.030 1.00 32.43 H new ATOM 801 N LYS A 49 -3.732 5.318 -12.737 1.00 13.31 N ATOM 802 CA LYS A 49 -4.989 6.040 -12.556 1.00 35.32 C ATOM 803 C LYS A 49 -4.829 7.199 -11.565 1.00 3.10 C ATOM 804 O LYS A 49 -5.370 8.290 -11.768 1.00 62.22 O ATOM 805 CB LYS A 49 -6.069 5.071 -12.069 1.00 41.01 C ATOM 806 CG LYS A 49 -7.490 5.552 -12.288 1.00 22.44 C ATOM 807 CD LYS A 49 -8.491 4.471 -11.915 1.00 62.20 C ATOM 808 CE LYS A 49 -9.867 4.753 -12.501 1.00 11.52 C ATOM 809 NZ LYS A 49 -9.853 4.730 -13.987 1.00 34.13 N ATOM 0 H LYS A 49 -3.780 4.332 -12.479 1.00 13.31 H new ATOM 0 HA LYS A 49 -5.285 6.464 -13.516 1.00 35.32 H new ATOM 0 HB2 LYS A 49 -5.939 4.116 -12.579 1.00 41.01 H new ATOM 0 HB3 LYS A 49 -5.921 4.887 -11.005 1.00 41.01 H new ATOM 0 HG2 LYS A 49 -7.673 6.445 -11.690 1.00 22.44 H new ATOM 0 HG3 LYS A 49 -7.626 5.835 -13.332 1.00 22.44 H new ATOM 0 HD2 LYS A 49 -8.134 3.505 -12.273 1.00 62.20 H new ATOM 0 HD3 LYS A 49 -8.565 4.402 -10.830 1.00 62.20 H new ATOM 0 HE2 LYS A 49 -10.577 4.012 -12.133 1.00 11.52 H new ATOM 0 HE3 LYS A 49 -10.216 5.727 -12.156 1.00 11.52 H new ATOM 0 HZ1 LYS A 49 -10.820 4.586 -14.341 1.00 34.13 H new ATOM 0 HZ2 LYS A 49 -9.484 5.634 -14.345 1.00 34.13 H new ATOM 0 HZ3 LYS A 49 -9.245 3.953 -14.316 1.00 34.13 H new ATOM 823 N ILE A 50 -4.079 6.960 -10.504 1.00 71.43 N ATOM 824 CA ILE A 50 -3.852 7.974 -9.491 1.00 11.44 C ATOM 825 C ILE A 50 -2.940 9.087 -10.016 1.00 32.23 C ATOM 826 O ILE A 50 -3.271 10.268 -9.910 1.00 4.52 O ATOM 827 CB ILE A 50 -3.247 7.359 -8.206 1.00 21.45 C ATOM 828 CG1 ILE A 50 -4.219 6.337 -7.607 1.00 41.11 C ATOM 829 CG2 ILE A 50 -2.918 8.448 -7.188 1.00 71.12 C ATOM 830 CD1 ILE A 50 -3.668 5.595 -6.411 1.00 72.24 C ATOM 0 H ILE A 50 -3.616 6.070 -10.322 1.00 71.43 H new ATOM 0 HA ILE A 50 -4.822 8.406 -9.245 1.00 11.44 H new ATOM 0 HB ILE A 50 -2.319 6.850 -8.467 1.00 21.45 H new ATOM 0 HG12 ILE A 50 -5.135 6.850 -7.313 1.00 41.11 H new ATOM 0 HG13 ILE A 50 -4.491 5.615 -8.377 1.00 41.11 H new ATOM 0 HG21 ILE A 50 -2.494 7.993 -6.293 1.00 71.12 H new ATOM 0 HG22 ILE A 50 -2.197 9.143 -7.619 1.00 71.12 H new ATOM 0 HG23 ILE A 50 -3.828 8.987 -6.925 1.00 71.12 H new ATOM 0 HD11 ILE A 50 -4.415 4.890 -6.044 1.00 72.24 H new ATOM 0 HD12 ILE A 50 -2.769 5.052 -6.702 1.00 72.24 H new ATOM 0 HD13 ILE A 50 -3.423 6.307 -5.623 1.00 72.24 H new ATOM 842 N LYS A 51 -1.814 8.705 -10.616 1.00 44.54 N ATOM 843 CA LYS A 51 -0.844 9.686 -11.120 1.00 72.21 C ATOM 844 C LYS A 51 -1.377 10.458 -12.324 1.00 43.12 C ATOM 845 O LYS A 51 -0.860 11.522 -12.665 1.00 34.44 O ATOM 846 CB LYS A 51 0.493 9.021 -11.458 1.00 10.51 C ATOM 847 CG LYS A 51 1.235 8.501 -10.237 1.00 11.44 C ATOM 848 CD LYS A 51 2.648 8.042 -10.578 1.00 64.34 C ATOM 849 CE LYS A 51 2.652 6.847 -11.517 1.00 45.33 C ATOM 850 NZ LYS A 51 4.030 6.365 -11.793 1.00 50.34 N ATOM 0 H LYS A 51 -1.548 7.732 -10.766 1.00 44.54 H new ATOM 0 HA LYS A 51 -0.680 10.405 -10.317 1.00 72.21 H new ATOM 0 HB2 LYS A 51 0.315 8.194 -12.145 1.00 10.51 H new ATOM 0 HB3 LYS A 51 1.126 9.739 -11.980 1.00 10.51 H new ATOM 0 HG2 LYS A 51 1.281 9.284 -9.480 1.00 11.44 H new ATOM 0 HG3 LYS A 51 0.679 7.670 -9.802 1.00 11.44 H new ATOM 0 HD2 LYS A 51 3.195 8.865 -11.038 1.00 64.34 H new ATOM 0 HD3 LYS A 51 3.175 7.783 -9.660 1.00 64.34 H new ATOM 0 HE2 LYS A 51 2.066 6.039 -11.079 1.00 45.33 H new ATOM 0 HE3 LYS A 51 2.168 7.120 -12.455 1.00 45.33 H new ATOM 0 HZ1 LYS A 51 3.990 5.549 -12.437 1.00 50.34 H new ATOM 0 HZ2 LYS A 51 4.583 7.128 -12.234 1.00 50.34 H new ATOM 0 HZ3 LYS A 51 4.483 6.080 -10.901 1.00 50.34 H new ATOM 864 N SER A 52 -2.402 9.924 -12.965 1.00 31.24 N ATOM 865 CA SER A 52 -3.019 10.593 -14.097 1.00 53.43 C ATOM 866 C SER A 52 -3.934 11.719 -13.612 1.00 33.23 C ATOM 867 O SER A 52 -4.346 12.583 -14.389 1.00 21.44 O ATOM 868 CB SER A 52 -3.811 9.588 -14.944 1.00 43.42 C ATOM 869 OG SER A 52 -4.322 10.190 -16.124 1.00 15.25 O ATOM 0 H SER A 52 -2.825 9.028 -12.721 1.00 31.24 H new ATOM 0 HA SER A 52 -2.234 11.025 -14.717 1.00 53.43 H new ATOM 0 HB2 SER A 52 -3.168 8.750 -15.211 1.00 43.42 H new ATOM 0 HB3 SER A 52 -4.634 9.183 -14.355 1.00 43.42 H new ATOM 0 HG SER A 52 -4.346 11.163 -16.011 1.00 15.25 H new ATOM 875 N GLY A 53 -4.234 11.710 -12.318 1.00 41.12 N ATOM 876 CA GLY A 53 -5.098 12.718 -11.754 1.00 72.34 C ATOM 877 C GLY A 53 -6.555 12.341 -11.866 1.00 62.34 C ATOM 878 O GLY A 53 -7.422 13.207 -11.985 1.00 24.32 O ATOM 0 H GLY A 53 -3.891 11.018 -11.652 1.00 41.12 H new ATOM 0 HA2 GLY A 53 -4.842 12.869 -10.705 1.00 72.34 H new ATOM 0 HA3 GLY A 53 -4.929 13.667 -12.263 1.00 72.34 H new ATOM 882 N GLU A 54 -6.826 11.047 -11.838 1.00 35.51 N ATOM 883 CA GLU A 54 -8.187 10.551 -11.945 1.00 72.54 C ATOM 884 C GLU A 54 -8.775 10.287 -10.564 1.00 44.51 C ATOM 885 O GLU A 54 -9.680 10.992 -10.116 1.00 30.32 O ATOM 886 CB GLU A 54 -8.219 9.270 -12.779 1.00 45.32 C ATOM 887 CG GLU A 54 -7.707 9.441 -14.199 1.00 22.00 C ATOM 888 CD GLU A 54 -8.570 10.375 -15.014 1.00 5.42 C ATOM 889 OE1 GLU A 54 -8.223 11.556 -15.134 1.00 22.55 O ATOM 890 OE2 GLU A 54 -9.610 9.919 -15.538 1.00 33.43 O ATOM 0 H GLU A 54 -6.118 10.319 -11.742 1.00 35.51 H new ATOM 0 HA GLU A 54 -8.790 11.313 -12.439 1.00 72.54 H new ATOM 0 HB2 GLU A 54 -7.622 8.508 -12.278 1.00 45.32 H new ATOM 0 HB3 GLU A 54 -9.243 8.899 -12.816 1.00 45.32 H new ATOM 0 HG2 GLU A 54 -6.687 9.825 -14.171 1.00 22.00 H new ATOM 0 HG3 GLU A 54 -7.668 8.468 -14.688 1.00 22.00 H new ATOM 897 N GLU A 55 -8.244 9.283 -9.890 1.00 52.32 N ATOM 898 CA GLU A 55 -8.734 8.895 -8.574 1.00 52.52 C ATOM 899 C GLU A 55 -7.845 9.453 -7.468 1.00 13.02 C ATOM 900 O GLU A 55 -6.802 10.057 -7.741 1.00 65.04 O ATOM 901 CB GLU A 55 -8.798 7.373 -8.466 1.00 24.32 C ATOM 902 CG GLU A 55 -9.791 6.724 -9.415 1.00 11.23 C ATOM 903 CD GLU A 55 -11.220 7.122 -9.129 1.00 11.30 C ATOM 904 OE1 GLU A 55 -11.774 6.659 -8.111 1.00 10.42 O ATOM 905 OE2 GLU A 55 -11.802 7.889 -9.924 1.00 14.30 O ATOM 0 H GLU A 55 -7.468 8.716 -10.233 1.00 52.32 H new ATOM 0 HA GLU A 55 -9.734 9.310 -8.452 1.00 52.52 H new ATOM 0 HB2 GLU A 55 -7.806 6.964 -8.660 1.00 24.32 H new ATOM 0 HB3 GLU A 55 -9.060 7.103 -7.443 1.00 24.32 H new ATOM 0 HG2 GLU A 55 -9.540 6.999 -10.440 1.00 11.23 H new ATOM 0 HG3 GLU A 55 -9.699 5.640 -9.344 1.00 11.23 H new ATOM 912 N ASP A 56 -8.262 9.245 -6.229 1.00 53.33 N ATOM 913 CA ASP A 56 -7.510 9.698 -5.067 1.00 62.54 C ATOM 914 C ASP A 56 -6.995 8.503 -4.285 1.00 62.11 C ATOM 915 O ASP A 56 -7.763 7.607 -3.930 1.00 24.43 O ATOM 916 CB ASP A 56 -8.384 10.583 -4.172 1.00 14.42 C ATOM 917 CG ASP A 56 -7.709 10.951 -2.863 1.00 74.32 C ATOM 918 OD1 ASP A 56 -6.767 11.769 -2.878 1.00 25.54 O ATOM 919 OD2 ASP A 56 -8.130 10.441 -1.813 1.00 64.55 O ATOM 0 H ASP A 56 -9.129 8.759 -6.000 1.00 53.33 H new ATOM 0 HA ASP A 56 -6.661 10.289 -5.409 1.00 62.54 H new ATOM 0 HB2 ASP A 56 -8.641 11.495 -4.711 1.00 14.42 H new ATOM 0 HB3 ASP A 56 -9.319 10.065 -3.959 1.00 14.42 H new ATOM 924 N PHE A 57 -5.696 8.497 -4.022 1.00 72.21 N ATOM 925 CA PHE A 57 -5.034 7.394 -3.321 1.00 54.12 C ATOM 926 C PHE A 57 -5.712 7.082 -1.985 1.00 41.32 C ATOM 927 O PHE A 57 -6.112 5.942 -1.733 1.00 31.03 O ATOM 928 CB PHE A 57 -3.556 7.738 -3.095 1.00 5.20 C ATOM 929 CG PHE A 57 -2.736 6.619 -2.510 1.00 4.12 C ATOM 930 CD1 PHE A 57 -2.718 6.394 -1.146 1.00 45.23 C ATOM 931 CD2 PHE A 57 -1.980 5.801 -3.328 1.00 42.11 C ATOM 932 CE1 PHE A 57 -1.964 5.373 -0.612 1.00 22.51 C ATOM 933 CE2 PHE A 57 -1.227 4.780 -2.799 1.00 34.14 C ATOM 934 CZ PHE A 57 -1.218 4.566 -1.441 1.00 22.01 C ATOM 0 H PHE A 57 -5.067 9.255 -4.287 1.00 72.21 H new ATOM 0 HA PHE A 57 -5.113 6.504 -3.945 1.00 54.12 H new ATOM 0 HB2 PHE A 57 -3.116 8.035 -4.047 1.00 5.20 H new ATOM 0 HB3 PHE A 57 -3.494 8.601 -2.432 1.00 5.20 H new ATOM 0 HD1 PHE A 57 -3.301 7.026 -0.492 1.00 45.23 H new ATOM 0 HD2 PHE A 57 -1.981 5.966 -4.395 1.00 42.11 H new ATOM 0 HE1 PHE A 57 -1.958 5.206 0.455 1.00 22.51 H new ATOM 0 HE2 PHE A 57 -0.643 4.146 -3.450 1.00 34.14 H new ATOM 0 HZ PHE A 57 -0.626 3.765 -1.025 1.00 22.01 H new ATOM 944 N GLU A 58 -5.847 8.099 -1.144 1.00 41.01 N ATOM 945 CA GLU A 58 -6.436 7.936 0.184 1.00 4.22 C ATOM 946 C GLU A 58 -7.877 7.436 0.103 1.00 52.40 C ATOM 947 O GLU A 58 -8.306 6.608 0.913 1.00 61.02 O ATOM 948 CB GLU A 58 -6.378 9.249 0.951 1.00 74.20 C ATOM 949 CG GLU A 58 -4.972 9.796 1.128 1.00 12.20 C ATOM 950 CD GLU A 58 -4.954 11.095 1.893 1.00 30.13 C ATOM 951 OE1 GLU A 58 -5.226 12.155 1.285 1.00 2.54 O ATOM 952 OE2 GLU A 58 -4.681 11.071 3.101 1.00 23.53 O ATOM 0 H GLU A 58 -5.555 9.053 -1.358 1.00 41.01 H new ATOM 0 HA GLU A 58 -5.852 7.184 0.715 1.00 4.22 H new ATOM 0 HB2 GLU A 58 -6.983 9.991 0.429 1.00 74.20 H new ATOM 0 HB3 GLU A 58 -6.828 9.105 1.933 1.00 74.20 H new ATOM 0 HG2 GLU A 58 -4.362 9.060 1.652 1.00 12.20 H new ATOM 0 HG3 GLU A 58 -4.518 9.948 0.149 1.00 12.20 H new ATOM 959 N SER A 59 -8.625 7.941 -0.865 1.00 0.20 N ATOM 960 CA SER A 59 -9.996 7.518 -1.051 1.00 13.00 C ATOM 961 C SER A 59 -10.049 6.049 -1.463 1.00 23.35 C ATOM 962 O SER A 59 -10.851 5.274 -0.937 1.00 42.43 O ATOM 963 CB SER A 59 -10.704 8.400 -2.087 1.00 3.44 C ATOM 964 OG SER A 59 -12.105 8.173 -2.077 1.00 3.10 O ATOM 0 H SER A 59 -8.303 8.643 -1.531 1.00 0.20 H new ATOM 0 HA SER A 59 -10.520 7.628 -0.102 1.00 13.00 H new ATOM 0 HB2 SER A 59 -10.501 9.450 -1.876 1.00 3.44 H new ATOM 0 HB3 SER A 59 -10.305 8.192 -3.080 1.00 3.44 H new ATOM 0 HG SER A 59 -12.534 8.748 -2.745 1.00 3.10 H new ATOM 970 N LEU A 60 -9.173 5.663 -2.383 1.00 70.33 N ATOM 971 CA LEU A 60 -9.110 4.283 -2.843 1.00 3.23 C ATOM 972 C LEU A 60 -8.694 3.355 -1.707 1.00 74.35 C ATOM 973 O LEU A 60 -9.099 2.194 -1.663 1.00 3.41 O ATOM 974 CB LEU A 60 -8.135 4.144 -4.016 1.00 32.23 C ATOM 975 CG LEU A 60 -8.486 4.933 -5.279 1.00 45.31 C ATOM 976 CD1 LEU A 60 -7.423 4.731 -6.340 1.00 71.44 C ATOM 977 CD2 LEU A 60 -9.853 4.529 -5.810 1.00 33.41 C ATOM 0 H LEU A 60 -8.497 6.287 -2.824 1.00 70.33 H new ATOM 0 HA LEU A 60 -10.106 3.997 -3.182 1.00 3.23 H new ATOM 0 HB2 LEU A 60 -7.146 4.457 -3.680 1.00 32.23 H new ATOM 0 HB3 LEU A 60 -8.063 3.089 -4.279 1.00 32.23 H new ATOM 0 HG LEU A 60 -8.523 5.991 -5.020 1.00 45.31 H new ATOM 0 HD11 LEU A 60 -7.687 5.299 -7.232 1.00 71.44 H new ATOM 0 HD12 LEU A 60 -6.461 5.077 -5.962 1.00 71.44 H new ATOM 0 HD13 LEU A 60 -7.355 3.672 -6.590 1.00 71.44 H new ATOM 0 HD21 LEU A 60 -10.079 5.104 -6.708 1.00 33.41 H new ATOM 0 HD22 LEU A 60 -9.850 3.466 -6.051 1.00 33.41 H new ATOM 0 HD23 LEU A 60 -10.611 4.727 -5.052 1.00 33.41 H new ATOM 989 N ALA A 61 -7.896 3.872 -0.791 1.00 20.12 N ATOM 990 CA ALA A 61 -7.434 3.095 0.345 1.00 21.53 C ATOM 991 C ALA A 61 -8.586 2.737 1.280 1.00 41.52 C ATOM 992 O ALA A 61 -8.728 1.593 1.689 1.00 11.51 O ATOM 993 CB ALA A 61 -6.350 3.849 1.097 1.00 3.24 C ATOM 0 H ALA A 61 -7.553 4.832 -0.812 1.00 20.12 H new ATOM 0 HA ALA A 61 -7.014 2.164 -0.035 1.00 21.53 H new ATOM 0 HB1 ALA A 61 -6.014 3.253 1.946 1.00 3.24 H new ATOM 0 HB2 ALA A 61 -5.508 4.037 0.430 1.00 3.24 H new ATOM 0 HB3 ALA A 61 -6.749 4.798 1.455 1.00 3.24 H new ATOM 999 N SER A 62 -9.422 3.704 1.580 1.00 20.12 N ATOM 1000 CA SER A 62 -10.532 3.488 2.495 1.00 24.22 C ATOM 1001 C SER A 62 -11.741 2.841 1.800 1.00 34.03 C ATOM 1002 O SER A 62 -12.806 2.708 2.400 1.00 3.51 O ATOM 1003 CB SER A 62 -10.945 4.816 3.121 1.00 14.32 C ATOM 1004 OG SER A 62 -9.831 5.453 3.726 1.00 41.40 O ATOM 0 H SER A 62 -9.359 4.651 1.206 1.00 20.12 H new ATOM 0 HA SER A 62 -10.193 2.798 3.268 1.00 24.22 H new ATOM 0 HB2 SER A 62 -11.372 5.466 2.358 1.00 14.32 H new ATOM 0 HB3 SER A 62 -11.722 4.646 3.866 1.00 14.32 H new ATOM 0 HG SER A 62 -9.290 4.787 4.199 1.00 41.40 H new ATOM 1010 N GLN A 63 -11.571 2.430 0.551 1.00 20.51 N ATOM 1011 CA GLN A 63 -12.678 1.842 -0.201 1.00 43.13 C ATOM 1012 C GLN A 63 -12.295 0.523 -0.870 1.00 31.42 C ATOM 1013 O GLN A 63 -13.010 -0.475 -0.751 1.00 54.32 O ATOM 1014 CB GLN A 63 -13.185 2.827 -1.260 1.00 24.45 C ATOM 1015 CG GLN A 63 -13.804 4.092 -0.684 1.00 60.32 C ATOM 1016 CD GLN A 63 -14.197 5.101 -1.750 1.00 5.24 C ATOM 1017 OE1 GLN A 63 -13.462 5.129 -2.846 1.00 22.52 O flip ATOM 1018 NE2 GLN A 63 -15.153 5.857 -1.580 1.00 10.23 N flip ATOM 0 H GLN A 63 -10.690 2.490 0.040 1.00 20.51 H new ATOM 0 HA GLN A 63 -13.470 1.630 0.517 1.00 43.13 H new ATOM 0 HB2 GLN A 63 -12.355 3.105 -1.910 1.00 24.45 H new ATOM 0 HB3 GLN A 63 -13.924 2.325 -1.884 1.00 24.45 H new ATOM 0 HG2 GLN A 63 -14.686 3.825 -0.102 1.00 60.32 H new ATOM 0 HG3 GLN A 63 -13.096 4.555 0.003 1.00 60.32 H new ATOM 0 HE21 GLN A 63 -15.697 5.805 -0.719 1.00 10.23 H new ATOM 0 HE22 GLN A 63 -15.401 6.535 -2.300 1.00 10.23 H new ATOM 1027 N PHE A 64 -11.174 0.519 -1.570 1.00 14.43 N ATOM 1028 CA PHE A 64 -10.756 -0.654 -2.323 1.00 63.24 C ATOM 1029 C PHE A 64 -9.682 -1.464 -1.608 1.00 42.30 C ATOM 1030 O PHE A 64 -9.543 -2.651 -1.858 1.00 62.43 O ATOM 1031 CB PHE A 64 -10.281 -0.256 -3.722 1.00 23.43 C ATOM 1032 CG PHE A 64 -11.375 0.295 -4.596 1.00 4.23 C ATOM 1033 CD1 PHE A 64 -11.652 1.651 -4.612 1.00 53.31 C ATOM 1034 CD2 PHE A 64 -12.127 -0.547 -5.400 1.00 23.42 C ATOM 1035 CE1 PHE A 64 -12.657 2.159 -5.413 1.00 14.53 C ATOM 1036 CE2 PHE A 64 -13.134 -0.045 -6.203 1.00 60.35 C ATOM 1037 CZ PHE A 64 -13.399 1.310 -6.209 1.00 65.54 C ATOM 0 H PHE A 64 -10.537 1.313 -1.634 1.00 14.43 H new ATOM 0 HA PHE A 64 -11.632 -1.297 -2.410 1.00 63.24 H new ATOM 0 HB2 PHE A 64 -9.491 0.489 -3.630 1.00 23.43 H new ATOM 0 HB3 PHE A 64 -9.842 -1.127 -4.209 1.00 23.43 H new ATOM 0 HD1 PHE A 64 -11.076 2.320 -3.991 1.00 53.31 H new ATOM 0 HD2 PHE A 64 -11.924 -1.608 -5.399 1.00 23.42 H new ATOM 0 HE1 PHE A 64 -12.862 3.219 -5.416 1.00 14.53 H new ATOM 0 HE2 PHE A 64 -13.713 -0.712 -6.825 1.00 60.35 H new ATOM 0 HZ PHE A 64 -14.185 1.705 -6.835 1.00 65.54 H new ATOM 1047 N SER A 65 -8.916 -0.830 -0.733 1.00 52.42 N ATOM 1048 CA SER A 65 -7.880 -1.555 -0.005 1.00 3.41 C ATOM 1049 C SER A 65 -8.482 -2.572 0.955 1.00 41.23 C ATOM 1050 O SER A 65 -9.439 -2.285 1.673 1.00 4.24 O ATOM 1051 CB SER A 65 -6.957 -0.605 0.747 1.00 71.15 C ATOM 1052 OG SER A 65 -6.186 0.168 -0.148 1.00 21.01 O ATOM 0 H SER A 65 -8.987 0.163 -0.511 1.00 52.42 H new ATOM 0 HA SER A 65 -7.288 -2.092 -0.746 1.00 3.41 H new ATOM 0 HB2 SER A 65 -7.548 0.053 1.385 1.00 71.15 H new ATOM 0 HB3 SER A 65 -6.298 -1.175 1.401 1.00 71.15 H new ATOM 0 HG SER A 65 -6.621 0.183 -1.026 1.00 21.01 H new ATOM 1058 N ASP A 66 -7.900 -3.754 0.965 1.00 4.15 N ATOM 1059 CA ASP A 66 -8.351 -4.844 1.821 1.00 65.13 C ATOM 1060 C ASP A 66 -7.707 -4.751 3.198 1.00 65.43 C ATOM 1061 O ASP A 66 -7.680 -5.721 3.953 1.00 5.14 O ATOM 1062 CB ASP A 66 -8.011 -6.193 1.182 1.00 60.02 C ATOM 1063 CG ASP A 66 -8.828 -6.483 -0.056 1.00 22.23 C ATOM 1064 OD1 ASP A 66 -10.060 -6.671 0.070 1.00 3.43 O ATOM 1065 OD2 ASP A 66 -8.241 -6.542 -1.161 1.00 51.13 O ATOM 0 H ASP A 66 -7.099 -3.991 0.380 1.00 4.15 H new ATOM 0 HA ASP A 66 -9.432 -4.762 1.935 1.00 65.13 H new ATOM 0 HB2 ASP A 66 -6.952 -6.210 0.924 1.00 60.02 H new ATOM 0 HB3 ASP A 66 -8.174 -6.986 1.912 1.00 60.02 H new ATOM 1070 N CYS A 67 -7.207 -3.577 3.521 1.00 10.02 N ATOM 1071 CA CYS A 67 -6.535 -3.347 4.780 1.00 3.42 C ATOM 1072 C CYS A 67 -7.488 -2.734 5.794 1.00 71.11 C ATOM 1073 O CYS A 67 -8.236 -1.811 5.471 1.00 23.54 O ATOM 1074 CB CYS A 67 -5.341 -2.415 4.569 1.00 73.51 C ATOM 1075 SG CYS A 67 -4.378 -2.072 6.057 1.00 34.01 S ATOM 0 H CYS A 67 -7.256 -2.756 2.918 1.00 10.02 H new ATOM 0 HA CYS A 67 -6.186 -4.305 5.164 1.00 3.42 H new ATOM 0 HB2 CYS A 67 -4.682 -2.855 3.820 1.00 73.51 H new ATOM 0 HB3 CYS A 67 -5.702 -1.471 4.161 1.00 73.51 H new ATOM 0 HG CYS A 67 -3.488 -1.161 5.797 1.00 34.01 H new ATOM 1081 N SER A 68 -7.458 -3.246 7.008 1.00 2.54 N ATOM 1082 CA SER A 68 -8.282 -2.727 8.080 1.00 13.11 C ATOM 1083 C SER A 68 -7.749 -1.374 8.559 1.00 31.02 C ATOM 1084 O SER A 68 -8.508 -0.505 8.980 1.00 31.23 O ATOM 1085 CB SER A 68 -8.308 -3.730 9.226 1.00 41.21 C ATOM 1086 OG SER A 68 -6.998 -4.199 9.500 1.00 63.04 O ATOM 0 H SER A 68 -6.864 -4.030 7.278 1.00 2.54 H new ATOM 0 HA SER A 68 -9.297 -2.577 7.713 1.00 13.11 H new ATOM 0 HB2 SER A 68 -8.728 -3.263 10.117 1.00 41.21 H new ATOM 0 HB3 SER A 68 -8.956 -4.569 8.970 1.00 41.21 H new ATOM 0 HG SER A 68 -7.029 -4.841 10.239 1.00 63.04 H new ATOM 1092 N SER A 69 -6.437 -1.208 8.483 1.00 24.34 N ATOM 1093 CA SER A 69 -5.787 0.032 8.879 1.00 21.24 C ATOM 1094 C SER A 69 -6.075 1.141 7.859 1.00 14.55 C ATOM 1095 O SER A 69 -5.985 2.328 8.165 1.00 13.11 O ATOM 1096 CB SER A 69 -4.279 -0.193 9.006 1.00 2.14 C ATOM 1097 OG SER A 69 -4.005 -1.403 9.703 1.00 73.15 O ATOM 0 H SER A 69 -5.795 -1.926 8.147 1.00 24.34 H new ATOM 0 HA SER A 69 -6.184 0.345 9.845 1.00 21.24 H new ATOM 0 HB2 SER A 69 -3.827 -0.229 8.015 1.00 2.14 H new ATOM 0 HB3 SER A 69 -3.825 0.646 9.533 1.00 2.14 H new ATOM 0 HG SER A 69 -3.036 -1.529 9.772 1.00 73.15 H new ATOM 1103 N ALA A 70 -6.422 0.732 6.642 1.00 52.22 N ATOM 1104 CA ALA A 70 -6.716 1.663 5.554 1.00 2.25 C ATOM 1105 C ALA A 70 -7.977 2.478 5.832 1.00 13.24 C ATOM 1106 O ALA A 70 -8.220 3.497 5.182 1.00 32.11 O ATOM 1107 CB ALA A 70 -6.840 0.923 4.236 1.00 71.33 C ATOM 0 H ALA A 70 -6.507 -0.250 6.382 1.00 52.22 H new ATOM 0 HA ALA A 70 -5.882 2.361 5.486 1.00 2.25 H new ATOM 0 HB1 ALA A 70 -7.059 1.634 3.439 1.00 71.33 H new ATOM 0 HB2 ALA A 70 -5.904 0.410 4.017 1.00 71.33 H new ATOM 0 HB3 ALA A 70 -7.647 0.193 4.303 1.00 71.33 H new ATOM 1113 N LYS A 71 -8.786 2.011 6.781 1.00 54.51 N ATOM 1114 CA LYS A 71 -10.017 2.700 7.156 1.00 54.10 C ATOM 1115 C LYS A 71 -9.746 4.153 7.548 1.00 13.13 C ATOM 1116 O LYS A 71 -10.562 5.035 7.288 1.00 53.43 O ATOM 1117 CB LYS A 71 -10.716 1.971 8.303 1.00 75.32 C ATOM 1118 CG LYS A 71 -11.212 0.576 7.948 1.00 50.24 C ATOM 1119 CD LYS A 71 -12.264 0.609 6.846 1.00 3.51 C ATOM 1120 CE LYS A 71 -13.523 1.344 7.288 1.00 1.44 C ATOM 1121 NZ LYS A 71 -14.177 0.684 8.449 1.00 10.41 N ATOM 0 H LYS A 71 -8.609 1.154 7.306 1.00 54.51 H new ATOM 0 HA LYS A 71 -10.672 2.699 6.284 1.00 54.10 H new ATOM 0 HB2 LYS A 71 -10.027 1.896 9.144 1.00 75.32 H new ATOM 0 HB3 LYS A 71 -11.562 2.571 8.637 1.00 75.32 H new ATOM 0 HG2 LYS A 71 -10.370 -0.038 7.628 1.00 50.24 H new ATOM 0 HG3 LYS A 71 -11.631 0.103 8.836 1.00 50.24 H new ATOM 0 HD2 LYS A 71 -11.850 1.096 5.963 1.00 3.51 H new ATOM 0 HD3 LYS A 71 -12.520 -0.410 6.558 1.00 3.51 H new ATOM 0 HE2 LYS A 71 -13.269 2.371 7.551 1.00 1.44 H new ATOM 0 HE3 LYS A 71 -14.225 1.392 6.456 1.00 1.44 H new ATOM 0 HZ1 LYS A 71 -15.125 1.088 8.589 1.00 10.41 H new ATOM 0 HZ2 LYS A 71 -14.259 -0.337 8.267 1.00 10.41 H new ATOM 0 HZ3 LYS A 71 -13.605 0.839 9.304 1.00 10.41 H new ATOM 1135 N ALA A 72 -8.594 4.394 8.157 1.00 55.21 N ATOM 1136 CA ALA A 72 -8.210 5.737 8.554 1.00 44.33 C ATOM 1137 C ALA A 72 -7.564 6.477 7.384 1.00 43.11 C ATOM 1138 O ALA A 72 -6.356 6.716 7.378 1.00 50.10 O ATOM 1139 CB ALA A 72 -7.270 5.691 9.749 1.00 12.42 C ATOM 0 H ALA A 72 -7.909 3.674 8.387 1.00 55.21 H new ATOM 0 HA ALA A 72 -9.108 6.281 8.847 1.00 44.33 H new ATOM 0 HB1 ALA A 72 -6.992 6.706 10.033 1.00 12.42 H new ATOM 0 HB2 ALA A 72 -7.770 5.204 10.586 1.00 12.42 H new ATOM 0 HB3 ALA A 72 -6.373 5.130 9.485 1.00 12.42 H new ATOM 1145 N ARG A 73 -8.392 6.781 6.370 1.00 61.12 N ATOM 1146 CA ARG A 73 -7.990 7.495 5.126 1.00 73.13 C ATOM 1147 C ARG A 73 -6.742 6.897 4.450 1.00 43.02 C ATOM 1148 O ARG A 73 -6.122 7.536 3.609 1.00 24.45 O ATOM 1149 CB ARG A 73 -7.826 9.019 5.357 1.00 51.24 C ATOM 1150 CG ARG A 73 -6.623 9.426 6.199 1.00 72.14 C ATOM 1151 CD ARG A 73 -6.537 10.937 6.344 1.00 61.43 C ATOM 1152 NE ARG A 73 -6.378 11.604 5.049 1.00 62.24 N ATOM 1153 CZ ARG A 73 -7.023 12.711 4.676 1.00 55.35 C ATOM 1154 NH1 ARG A 73 -7.880 13.301 5.504 1.00 32.54 N ATOM 1155 NH2 ARG A 73 -6.803 13.230 3.472 1.00 53.12 N ATOM 0 H ARG A 73 -9.382 6.536 6.384 1.00 61.12 H new ATOM 0 HA ARG A 73 -8.815 7.347 4.430 1.00 73.13 H new ATOM 0 HB2 ARG A 73 -7.752 9.511 4.387 1.00 51.24 H new ATOM 0 HB3 ARG A 73 -8.729 9.396 5.838 1.00 51.24 H new ATOM 0 HG2 ARG A 73 -6.695 8.967 7.185 1.00 72.14 H new ATOM 0 HG3 ARG A 73 -5.710 9.050 5.738 1.00 72.14 H new ATOM 0 HD2 ARG A 73 -7.438 11.306 6.834 1.00 61.43 H new ATOM 0 HD3 ARG A 73 -5.696 11.192 6.989 1.00 61.43 H new ATOM 0 HE ARG A 73 -5.725 11.191 4.383 1.00 62.24 H new ATOM 0 HH11 ARG A 73 -8.047 12.908 6.430 1.00 32.54 H new ATOM 0 HH12 ARG A 73 -8.370 14.147 5.213 1.00 32.54 H new ATOM 0 HH21 ARG A 73 -6.143 12.782 2.836 1.00 53.12 H new ATOM 0 HH22 ARG A 73 -7.294 14.076 3.184 1.00 53.12 H new ATOM 1169 N GLY A 74 -6.403 5.660 4.803 1.00 72.32 N ATOM 1170 CA GLY A 74 -5.242 5.006 4.219 1.00 64.54 C ATOM 1171 C GLY A 74 -3.931 5.543 4.761 1.00 30.13 C ATOM 1172 O GLY A 74 -2.852 5.127 4.326 1.00 43.44 O ATOM 0 H GLY A 74 -6.912 5.097 5.484 1.00 72.32 H new ATOM 0 HA2 GLY A 74 -5.298 3.935 4.412 1.00 64.54 H new ATOM 0 HA3 GLY A 74 -5.263 5.136 3.137 1.00 64.54 H new ATOM 1176 N ASP A 75 -4.026 6.441 5.719 1.00 43.52 N ATOM 1177 CA ASP A 75 -2.861 7.086 6.302 1.00 42.44 C ATOM 1178 C ASP A 75 -2.393 6.364 7.559 1.00 34.13 C ATOM 1179 O ASP A 75 -3.199 5.801 8.305 1.00 42.14 O ATOM 1180 CB ASP A 75 -3.181 8.551 6.615 1.00 25.13 C ATOM 1181 CG ASP A 75 -2.139 9.212 7.486 1.00 2.33 C ATOM 1182 OD1 ASP A 75 -0.955 9.227 7.103 1.00 5.55 O ATOM 1183 OD2 ASP A 75 -2.502 9.728 8.558 1.00 43.40 O ATOM 0 H ASP A 75 -4.913 6.747 6.118 1.00 43.52 H new ATOM 0 HA ASP A 75 -2.049 7.041 5.576 1.00 42.44 H new ATOM 0 HB2 ASP A 75 -3.269 9.105 5.680 1.00 25.13 H new ATOM 0 HB3 ASP A 75 -4.150 8.607 7.112 1.00 25.13 H new ATOM 1188 N LEU A 76 -1.091 6.372 7.779 1.00 32.45 N ATOM 1189 CA LEU A 76 -0.504 5.735 8.943 1.00 21.05 C ATOM 1190 C LEU A 76 0.109 6.774 9.875 1.00 64.11 C ATOM 1191 O LEU A 76 0.582 6.441 10.969 1.00 72.43 O ATOM 1192 CB LEU A 76 0.559 4.720 8.513 1.00 54.20 C ATOM 1193 CG LEU A 76 0.047 3.524 7.708 1.00 42.44 C ATOM 1194 CD1 LEU A 76 1.208 2.690 7.191 1.00 22.03 C ATOM 1195 CD2 LEU A 76 -0.884 2.669 8.556 1.00 23.00 C ATOM 0 H LEU A 76 -0.414 6.818 7.160 1.00 32.45 H new ATOM 0 HA LEU A 76 -1.294 5.212 9.482 1.00 21.05 H new ATOM 0 HB2 LEU A 76 1.311 5.239 7.919 1.00 54.20 H new ATOM 0 HB3 LEU A 76 1.060 4.346 9.406 1.00 54.20 H new ATOM 0 HG LEU A 76 -0.513 3.902 6.853 1.00 42.44 H new ATOM 0 HD11 LEU A 76 0.823 1.844 6.621 1.00 22.03 H new ATOM 0 HD12 LEU A 76 1.839 3.304 6.548 1.00 22.03 H new ATOM 0 HD13 LEU A 76 1.796 2.323 8.033 1.00 22.03 H new ATOM 0 HD21 LEU A 76 -1.238 1.823 7.967 1.00 23.00 H new ATOM 0 HD22 LEU A 76 -0.346 2.303 9.430 1.00 23.00 H new ATOM 0 HD23 LEU A 76 -1.735 3.268 8.879 1.00 23.00 H new ATOM 1207 N GLY A 77 0.086 8.029 9.454 1.00 42.35 N ATOM 1208 CA GLY A 77 0.668 9.088 10.247 1.00 30.15 C ATOM 1209 C GLY A 77 2.175 9.099 10.136 1.00 31.02 C ATOM 1210 O GLY A 77 2.738 8.452 9.254 1.00 65.13 O ATOM 0 H GLY A 77 -0.328 8.333 8.573 1.00 42.35 H new ATOM 0 HA2 GLY A 77 0.271 10.049 9.920 1.00 30.15 H new ATOM 0 HA3 GLY A 77 0.380 8.963 11.291 1.00 30.15 H new ATOM 1214 N ALA A 78 2.828 9.835 11.010 1.00 2.55 N ATOM 1215 CA ALA A 78 4.276 9.892 11.011 1.00 72.40 C ATOM 1216 C ALA A 78 4.835 8.750 11.833 1.00 52.40 C ATOM 1217 O ALA A 78 4.513 8.605 13.021 1.00 11.13 O ATOM 1218 CB ALA A 78 4.765 11.229 11.543 1.00 21.05 C ATOM 0 H ALA A 78 2.380 10.403 11.729 1.00 2.55 H new ATOM 0 HA ALA A 78 4.630 9.793 9.985 1.00 72.40 H new ATOM 0 HB1 ALA A 78 5.855 11.248 11.534 1.00 21.05 H new ATOM 0 HB2 ALA A 78 4.383 12.033 10.913 1.00 21.05 H new ATOM 0 HB3 ALA A 78 4.408 11.367 12.564 1.00 21.05 H new ATOM 1224 N PHE A 79 5.647 7.936 11.207 1.00 53.35 N ATOM 1225 CA PHE A 79 6.231 6.785 11.859 1.00 75.40 C ATOM 1226 C PHE A 79 7.712 6.684 11.540 1.00 24.25 C ATOM 1227 O PHE A 79 8.188 7.287 10.575 1.00 63.23 O ATOM 1228 CB PHE A 79 5.504 5.503 11.415 1.00 1.34 C ATOM 1229 CG PHE A 79 5.423 5.325 9.916 1.00 61.10 C ATOM 1230 CD1 PHE A 79 6.452 4.716 9.216 1.00 44.32 C ATOM 1231 CD2 PHE A 79 4.315 5.771 9.212 1.00 33.42 C ATOM 1232 CE1 PHE A 79 6.376 4.556 7.845 1.00 3.55 C ATOM 1233 CE2 PHE A 79 4.235 5.613 7.843 1.00 74.05 C ATOM 1234 CZ PHE A 79 5.267 5.006 7.159 1.00 54.12 C ATOM 0 H PHE A 79 5.923 8.050 10.232 1.00 53.35 H new ATOM 0 HA PHE A 79 6.118 6.902 12.937 1.00 75.40 H new ATOM 0 HB2 PHE A 79 6.015 4.641 11.845 1.00 1.34 H new ATOM 0 HB3 PHE A 79 4.494 5.511 11.824 1.00 1.34 H new ATOM 0 HD1 PHE A 79 7.323 4.362 9.747 1.00 44.32 H new ATOM 0 HD2 PHE A 79 3.504 6.248 9.742 1.00 33.42 H new ATOM 0 HE1 PHE A 79 7.185 4.079 7.311 1.00 3.55 H new ATOM 0 HE2 PHE A 79 3.365 5.964 7.308 1.00 74.05 H new ATOM 0 HZ PHE A 79 5.207 4.883 6.088 1.00 54.12 H new ATOM 1244 N SER A 80 8.436 5.943 12.353 1.00 33.12 N ATOM 1245 CA SER A 80 9.838 5.722 12.114 1.00 4.14 C ATOM 1246 C SER A 80 10.039 4.412 11.358 1.00 64.01 C ATOM 1247 O SER A 80 9.085 3.649 11.155 1.00 12.23 O ATOM 1248 CB SER A 80 10.625 5.726 13.431 1.00 74.32 C ATOM 1249 OG SER A 80 10.112 4.774 14.347 1.00 71.43 O ATOM 0 H SER A 80 8.070 5.484 13.187 1.00 33.12 H new ATOM 0 HA SER A 80 10.220 6.537 11.500 1.00 4.14 H new ATOM 0 HB2 SER A 80 11.674 5.510 13.229 1.00 74.32 H new ATOM 0 HB3 SER A 80 10.584 6.720 13.877 1.00 74.32 H new ATOM 0 HG SER A 80 9.236 5.071 14.671 1.00 71.43 H new ATOM 1255 N ARG A 81 11.272 4.157 10.954 1.00 10.22 N ATOM 1256 CA ARG A 81 11.618 2.974 10.158 1.00 65.12 C ATOM 1257 C ARG A 81 11.154 1.675 10.823 1.00 72.53 C ATOM 1258 O ARG A 81 10.421 0.881 10.224 1.00 64.12 O ATOM 1259 CB ARG A 81 13.128 2.929 9.935 1.00 52.45 C ATOM 1260 CG ARG A 81 13.703 4.195 9.323 1.00 64.40 C ATOM 1261 CD ARG A 81 15.221 4.152 9.282 1.00 23.14 C ATOM 1262 NE ARG A 81 15.732 3.179 8.311 1.00 31.03 N ATOM 1263 CZ ARG A 81 16.421 2.079 8.623 1.00 4.22 C ATOM 1264 NH1 ARG A 81 16.604 1.737 9.896 1.00 20.02 N ATOM 1265 NH2 ARG A 81 16.914 1.314 7.659 1.00 74.20 N ATOM 0 H ARG A 81 12.067 4.760 11.165 1.00 10.22 H new ATOM 0 HA ARG A 81 11.100 3.056 9.202 1.00 65.12 H new ATOM 0 HB2 ARG A 81 13.620 2.744 10.890 1.00 52.45 H new ATOM 0 HB3 ARG A 81 13.364 2.085 9.286 1.00 52.45 H new ATOM 0 HG2 ARG A 81 13.314 4.322 8.313 1.00 64.40 H new ATOM 0 HG3 ARG A 81 13.378 5.060 9.901 1.00 64.40 H new ATOM 0 HD2 ARG A 81 15.602 5.142 9.033 1.00 23.14 H new ATOM 0 HD3 ARG A 81 15.601 3.904 10.273 1.00 23.14 H new ATOM 0 HE ARG A 81 15.547 3.356 7.324 1.00 31.03 H new ATOM 0 HH11 ARG A 81 16.217 2.317 10.641 1.00 20.02 H new ATOM 0 HH12 ARG A 81 17.131 0.895 10.127 1.00 20.02 H new ATOM 0 HH21 ARG A 81 16.766 1.566 6.682 1.00 74.20 H new ATOM 0 HH22 ARG A 81 17.441 0.473 7.895 1.00 74.20 H new ATOM 1279 N GLY A 82 11.546 1.486 12.073 1.00 33.41 N ATOM 1280 CA GLY A 82 11.242 0.254 12.780 1.00 31.52 C ATOM 1281 C GLY A 82 9.806 0.152 13.282 1.00 74.40 C ATOM 1282 O GLY A 82 9.535 -0.588 14.228 1.00 50.44 O ATOM 0 H GLY A 82 12.074 2.168 12.617 1.00 33.41 H new ATOM 0 HA2 GLY A 82 11.443 -0.589 12.119 1.00 31.52 H new ATOM 0 HA3 GLY A 82 11.918 0.161 13.630 1.00 31.52 H new ATOM 1286 N GLN A 83 8.888 0.888 12.673 1.00 14.15 N ATOM 1287 CA GLN A 83 7.484 0.811 13.066 1.00 45.44 C ATOM 1288 C GLN A 83 6.670 0.039 12.038 1.00 14.42 C ATOM 1289 O GLN A 83 5.530 -0.334 12.294 1.00 65.15 O ATOM 1290 CB GLN A 83 6.874 2.203 13.264 1.00 72.22 C ATOM 1291 CG GLN A 83 7.489 2.999 14.403 1.00 11.33 C ATOM 1292 CD GLN A 83 6.760 4.307 14.675 1.00 11.23 C ATOM 1293 OE1 GLN A 83 7.370 5.302 15.062 1.00 44.22 O ATOM 1294 NE2 GLN A 83 5.454 4.312 14.497 1.00 15.42 N ATOM 0 H GLN A 83 9.084 1.539 11.913 1.00 14.15 H new ATOM 0 HA GLN A 83 7.451 0.281 14.018 1.00 45.44 H new ATOM 0 HB2 GLN A 83 6.984 2.770 12.339 1.00 72.22 H new ATOM 0 HB3 GLN A 83 5.805 2.096 13.447 1.00 72.22 H new ATOM 0 HG2 GLN A 83 7.484 2.391 15.308 1.00 11.33 H new ATOM 0 HG3 GLN A 83 8.532 3.212 14.168 1.00 11.33 H new ATOM 0 HE21 GLN A 83 4.980 3.468 14.175 1.00 15.42 H new ATOM 0 HE22 GLN A 83 4.917 5.160 14.681 1.00 15.42 H new ATOM 1303 N MET A 84 7.258 -0.201 10.876 1.00 60.44 N ATOM 1304 CA MET A 84 6.559 -0.903 9.803 1.00 41.12 C ATOM 1305 C MET A 84 7.375 -2.087 9.316 1.00 51.13 C ATOM 1306 O MET A 84 8.476 -2.330 9.810 1.00 43.01 O ATOM 1307 CB MET A 84 6.265 0.051 8.639 1.00 35.33 C ATOM 1308 CG MET A 84 5.413 1.248 9.029 1.00 23.53 C ATOM 1309 SD MET A 84 3.803 0.771 9.684 1.00 2.44 S ATOM 1310 CE MET A 84 3.191 2.352 10.255 1.00 64.14 C ATOM 0 H MET A 84 8.213 0.077 10.649 1.00 60.44 H new ATOM 0 HA MET A 84 5.613 -1.273 10.199 1.00 41.12 H new ATOM 0 HB2 MET A 84 7.209 0.407 8.226 1.00 35.33 H new ATOM 0 HB3 MET A 84 5.759 -0.501 7.847 1.00 35.33 H new ATOM 0 HG2 MET A 84 5.944 1.839 9.775 1.00 23.53 H new ATOM 0 HG3 MET A 84 5.271 1.887 8.158 1.00 23.53 H new ATOM 0 HE1 MET A 84 2.139 2.259 10.524 1.00 64.14 H new ATOM 0 HE2 MET A 84 3.762 2.670 11.128 1.00 64.14 H new ATOM 0 HE3 MET A 84 3.299 3.092 9.462 1.00 64.14 H new ATOM 1320 N GLN A 85 6.829 -2.826 8.352 1.00 72.34 N ATOM 1321 CA GLN A 85 7.513 -3.987 7.786 1.00 63.23 C ATOM 1322 C GLN A 85 8.776 -3.550 7.054 1.00 22.02 C ATOM 1323 O GLN A 85 8.848 -2.428 6.562 1.00 1.42 O ATOM 1324 CB GLN A 85 6.603 -4.747 6.805 1.00 54.21 C ATOM 1325 CG GLN A 85 5.281 -5.256 7.384 1.00 4.51 C ATOM 1326 CD GLN A 85 4.191 -4.200 7.402 1.00 51.13 C ATOM 1327 OE1 GLN A 85 4.030 -3.522 8.522 1.00 25.32 O flip ATOM 1328 NE2 GLN A 85 3.478 -4.021 6.419 1.00 23.33 N flip ATOM 0 H GLN A 85 5.912 -2.640 7.946 1.00 72.34 H new ATOM 0 HA GLN A 85 7.773 -4.650 8.611 1.00 63.23 H new ATOM 0 HB2 GLN A 85 6.381 -4.092 5.962 1.00 54.21 H new ATOM 0 HB3 GLN A 85 7.157 -5.598 6.410 1.00 54.21 H new ATOM 0 HG2 GLN A 85 4.941 -6.111 6.799 1.00 4.51 H new ATOM 0 HG3 GLN A 85 5.450 -5.612 8.400 1.00 4.51 H new ATOM 0 HE21 GLN A 85 3.633 -4.565 5.570 1.00 23.33 H new ATOM 0 HE22 GLN A 85 2.730 -3.328 6.451 1.00 23.33 H new ATOM 1337 N LYS A 86 9.759 -4.439 6.969 1.00 74.35 N ATOM 1338 CA LYS A 86 11.021 -4.124 6.294 1.00 14.14 C ATOM 1339 C LYS A 86 10.812 -3.744 4.807 1.00 1.32 C ATOM 1340 O LYS A 86 11.308 -2.707 4.369 1.00 11.42 O ATOM 1341 CB LYS A 86 12.037 -5.273 6.432 1.00 73.22 C ATOM 1342 CG LYS A 86 13.370 -4.999 5.739 1.00 22.25 C ATOM 1343 CD LYS A 86 14.068 -3.778 6.326 1.00 53.42 C ATOM 1344 CE LYS A 86 15.270 -3.373 5.490 1.00 21.31 C ATOM 1345 NZ LYS A 86 15.957 -2.181 6.044 1.00 5.01 N ATOM 0 H LYS A 86 9.711 -5.381 7.356 1.00 74.35 H new ATOM 0 HA LYS A 86 11.433 -3.248 6.795 1.00 14.14 H new ATOM 0 HB2 LYS A 86 12.219 -5.460 7.490 1.00 73.22 H new ATOM 0 HB3 LYS A 86 11.602 -6.183 6.018 1.00 73.22 H new ATOM 0 HG2 LYS A 86 14.017 -5.871 5.837 1.00 22.25 H new ATOM 0 HG3 LYS A 86 13.202 -4.845 4.673 1.00 22.25 H new ATOM 0 HD2 LYS A 86 13.365 -2.947 6.382 1.00 53.42 H new ATOM 0 HD3 LYS A 86 14.388 -3.995 7.345 1.00 53.42 H new ATOM 0 HE2 LYS A 86 15.972 -4.205 5.439 1.00 21.31 H new ATOM 0 HE3 LYS A 86 14.948 -3.164 4.470 1.00 21.31 H new ATOM 0 HZ1 LYS A 86 16.673 -1.847 5.368 1.00 5.01 H new ATOM 0 HZ2 LYS A 86 15.261 -1.426 6.212 1.00 5.01 H new ATOM 0 HZ3 LYS A 86 16.419 -2.432 6.941 1.00 5.01 H new ATOM 1359 N PRO A 87 10.081 -4.574 4.000 1.00 23.44 N ATOM 1360 CA PRO A 87 9.810 -4.248 2.589 1.00 14.13 C ATOM 1361 C PRO A 87 9.098 -2.901 2.449 1.00 34.31 C ATOM 1362 O PRO A 87 9.323 -2.157 1.493 1.00 3.11 O ATOM 1363 CB PRO A 87 8.895 -5.394 2.111 1.00 53.54 C ATOM 1364 CG PRO A 87 8.408 -6.055 3.360 1.00 54.42 C ATOM 1365 CD PRO A 87 9.497 -5.877 4.372 1.00 43.22 C ATOM 0 HA PRO A 87 10.727 -4.160 2.006 1.00 14.13 H new ATOM 0 HB2 PRO A 87 8.064 -5.013 1.518 1.00 53.54 H new ATOM 0 HB3 PRO A 87 9.441 -6.096 1.481 1.00 53.54 H new ATOM 0 HG2 PRO A 87 7.478 -5.602 3.704 1.00 54.42 H new ATOM 0 HG3 PRO A 87 8.204 -7.112 3.188 1.00 54.42 H new ATOM 0 HD2 PRO A 87 9.106 -5.869 5.389 1.00 43.22 H new ATOM 0 HD3 PRO A 87 10.233 -6.680 4.320 1.00 43.22 H new ATOM 1373 N PHE A 88 8.252 -2.592 3.423 1.00 51.51 N ATOM 1374 CA PHE A 88 7.518 -1.338 3.440 1.00 55.02 C ATOM 1375 C PHE A 88 8.474 -0.194 3.778 1.00 55.42 C ATOM 1376 O PHE A 88 8.456 0.856 3.141 1.00 34.34 O ATOM 1377 CB PHE A 88 6.383 -1.415 4.474 1.00 73.42 C ATOM 1378 CG PHE A 88 5.406 -0.271 4.420 1.00 22.22 C ATOM 1379 CD1 PHE A 88 4.249 -0.371 3.664 1.00 35.54 C ATOM 1380 CD2 PHE A 88 5.638 0.897 5.129 1.00 14.41 C ATOM 1381 CE1 PHE A 88 3.344 0.672 3.615 1.00 24.51 C ATOM 1382 CE2 PHE A 88 4.738 1.944 5.082 1.00 13.04 C ATOM 1383 CZ PHE A 88 3.589 1.831 4.325 1.00 44.21 C ATOM 0 H PHE A 88 8.057 -3.201 4.218 1.00 51.51 H new ATOM 0 HA PHE A 88 7.081 -1.155 2.458 1.00 55.02 H new ATOM 0 HB2 PHE A 88 5.838 -2.348 4.327 1.00 73.42 H new ATOM 0 HB3 PHE A 88 6.820 -1.455 5.472 1.00 73.42 H new ATOM 0 HD1 PHE A 88 4.052 -1.275 3.107 1.00 35.54 H new ATOM 0 HD2 PHE A 88 6.533 0.990 5.726 1.00 14.41 H new ATOM 0 HE1 PHE A 88 2.446 0.581 3.022 1.00 24.51 H new ATOM 0 HE2 PHE A 88 4.933 2.850 5.637 1.00 13.04 H new ATOM 0 HZ PHE A 88 2.883 2.647 4.288 1.00 44.21 H new ATOM 1393 N GLU A 89 9.314 -0.434 4.779 1.00 61.13 N ATOM 1394 CA GLU A 89 10.315 0.525 5.239 1.00 32.41 C ATOM 1395 C GLU A 89 11.245 0.942 4.103 1.00 34.15 C ATOM 1396 O GLU A 89 11.482 2.129 3.884 1.00 43.54 O ATOM 1397 CB GLU A 89 11.139 -0.103 6.368 1.00 13.04 C ATOM 1398 CG GLU A 89 12.299 0.750 6.852 1.00 43.54 C ATOM 1399 CD GLU A 89 13.263 -0.033 7.712 1.00 52.23 C ATOM 1400 OE1 GLU A 89 14.259 -0.552 7.173 1.00 63.12 O ATOM 1401 OE2 GLU A 89 13.025 -0.151 8.927 1.00 31.34 O ATOM 0 H GLU A 89 9.320 -1.310 5.301 1.00 61.13 H new ATOM 0 HA GLU A 89 9.798 1.414 5.600 1.00 32.41 H new ATOM 0 HB2 GLU A 89 10.479 -0.308 7.211 1.00 13.04 H new ATOM 0 HB3 GLU A 89 11.528 -1.062 6.026 1.00 13.04 H new ATOM 0 HG2 GLU A 89 12.831 1.159 5.993 1.00 43.54 H new ATOM 0 HG3 GLU A 89 11.913 1.597 7.420 1.00 43.54 H new ATOM 1408 N ASP A 90 11.763 -0.043 3.384 1.00 43.31 N ATOM 1409 CA ASP A 90 12.697 0.213 2.294 1.00 42.21 C ATOM 1410 C ASP A 90 12.104 1.146 1.248 1.00 74.33 C ATOM 1411 O ASP A 90 12.773 2.056 0.770 1.00 63.32 O ATOM 1412 CB ASP A 90 13.138 -1.092 1.634 1.00 32.13 C ATOM 1413 CG ASP A 90 14.109 -0.857 0.494 1.00 4.13 C ATOM 1414 OD1 ASP A 90 15.270 -0.479 0.767 1.00 12.43 O ATOM 1415 OD2 ASP A 90 13.718 -1.055 -0.684 1.00 24.02 O ATOM 0 H ASP A 90 11.553 -1.030 3.535 1.00 43.31 H new ATOM 0 HA ASP A 90 13.568 0.702 2.731 1.00 42.21 H new ATOM 0 HB2 ASP A 90 13.605 -1.735 2.380 1.00 32.13 H new ATOM 0 HB3 ASP A 90 12.262 -1.622 1.260 1.00 32.13 H new ATOM 1420 N ALA A 91 10.855 0.916 0.899 1.00 11.24 N ATOM 1421 CA ALA A 91 10.185 1.726 -0.102 1.00 13.33 C ATOM 1422 C ALA A 91 9.759 3.094 0.450 1.00 73.12 C ATOM 1423 O ALA A 91 10.076 4.129 -0.132 1.00 53.51 O ATOM 1424 CB ALA A 91 8.992 0.979 -0.664 1.00 30.40 C ATOM 0 H ALA A 91 10.280 0.172 1.294 1.00 11.24 H new ATOM 0 HA ALA A 91 10.898 1.915 -0.904 1.00 13.33 H new ATOM 0 HB1 ALA A 91 8.497 1.596 -1.414 1.00 30.40 H new ATOM 0 HB2 ALA A 91 9.328 0.049 -1.123 1.00 30.40 H new ATOM 0 HB3 ALA A 91 8.292 0.754 0.140 1.00 30.40 H new ATOM 1430 N ALA A 92 9.065 3.090 1.581 1.00 32.31 N ATOM 1431 CA ALA A 92 8.533 4.325 2.172 1.00 43.41 C ATOM 1432 C ALA A 92 9.634 5.321 2.515 1.00 21.13 C ATOM 1433 O ALA A 92 9.476 6.525 2.323 1.00 61.00 O ATOM 1434 CB ALA A 92 7.704 4.009 3.408 1.00 54.04 C ATOM 0 H ALA A 92 8.854 2.246 2.113 1.00 32.31 H new ATOM 0 HA ALA A 92 7.895 4.792 1.421 1.00 43.41 H new ATOM 0 HB1 ALA A 92 7.317 4.935 3.833 1.00 54.04 H new ATOM 0 HB2 ALA A 92 6.872 3.361 3.132 1.00 54.04 H new ATOM 0 HB3 ALA A 92 8.328 3.504 4.145 1.00 54.04 H new ATOM 1440 N PHE A 93 10.750 4.816 3.003 1.00 12.53 N ATOM 1441 CA PHE A 93 11.858 5.668 3.401 1.00 34.24 C ATOM 1442 C PHE A 93 12.861 5.846 2.259 1.00 35.22 C ATOM 1443 O PHE A 93 14.050 6.088 2.487 1.00 24.32 O ATOM 1444 CB PHE A 93 12.538 5.100 4.651 1.00 23.25 C ATOM 1445 CG PHE A 93 11.644 5.100 5.864 1.00 2.44 C ATOM 1446 CD1 PHE A 93 10.732 4.081 6.071 1.00 13.21 C ATOM 1447 CD2 PHE A 93 11.713 6.125 6.789 1.00 34.44 C ATOM 1448 CE1 PHE A 93 9.907 4.084 7.175 1.00 74.12 C ATOM 1449 CE2 PHE A 93 10.893 6.133 7.896 1.00 64.01 C ATOM 1450 CZ PHE A 93 9.987 5.113 8.088 1.00 45.05 C ATOM 0 H PHE A 93 10.916 3.818 3.134 1.00 12.53 H new ATOM 0 HA PHE A 93 11.463 6.655 3.641 1.00 34.24 H new ATOM 0 HB2 PHE A 93 12.864 4.080 4.448 1.00 23.25 H new ATOM 0 HB3 PHE A 93 13.433 5.684 4.867 1.00 23.25 H new ATOM 0 HD1 PHE A 93 10.665 3.272 5.358 1.00 13.21 H new ATOM 0 HD2 PHE A 93 12.418 6.929 6.642 1.00 34.44 H new ATOM 0 HE1 PHE A 93 9.199 3.282 7.324 1.00 74.12 H new ATOM 0 HE2 PHE A 93 10.960 6.938 8.613 1.00 64.01 H new ATOM 0 HZ PHE A 93 9.340 5.120 8.953 1.00 45.05 H new ATOM 1460 N ALA A 94 12.372 5.737 1.034 1.00 32.11 N ATOM 1461 CA ALA A 94 13.205 5.932 -0.144 1.00 22.32 C ATOM 1462 C ALA A 94 12.592 6.971 -1.077 1.00 14.32 C ATOM 1463 O ALA A 94 13.308 7.738 -1.723 1.00 30.44 O ATOM 1464 CB ALA A 94 13.415 4.620 -0.874 1.00 33.55 C ATOM 0 H ALA A 94 11.398 5.514 0.828 1.00 32.11 H new ATOM 0 HA ALA A 94 14.176 6.302 0.186 1.00 22.32 H new ATOM 0 HB1 ALA A 94 14.040 4.788 -1.751 1.00 33.55 H new ATOM 0 HB2 ALA A 94 13.905 3.908 -0.210 1.00 33.55 H new ATOM 0 HB3 ALA A 94 12.451 4.219 -1.187 1.00 33.55 H new ATOM 1470 N LEU A 95 11.268 6.988 -1.146 1.00 2.22 N ATOM 1471 CA LEU A 95 10.554 7.946 -1.987 1.00 34.44 C ATOM 1472 C LEU A 95 10.495 9.311 -1.311 1.00 22.12 C ATOM 1473 O LEU A 95 10.495 9.401 -0.084 1.00 22.31 O ATOM 1474 CB LEU A 95 9.125 7.450 -2.297 1.00 22.25 C ATOM 1475 CG LEU A 95 8.979 6.372 -3.394 1.00 34.34 C ATOM 1476 CD1 LEU A 95 9.526 6.868 -4.717 1.00 32.11 C ATOM 1477 CD2 LEU A 95 9.659 5.076 -2.994 1.00 35.53 C ATOM 0 H LEU A 95 10.663 6.349 -0.630 1.00 2.22 H new ATOM 0 HA LEU A 95 11.100 8.039 -2.926 1.00 34.44 H new ATOM 0 HB2 LEU A 95 8.696 7.056 -1.376 1.00 22.25 H new ATOM 0 HB3 LEU A 95 8.523 8.311 -2.586 1.00 22.25 H new ATOM 0 HG LEU A 95 7.914 6.171 -3.512 1.00 34.34 H new ATOM 0 HD11 LEU A 95 9.411 6.091 -5.472 1.00 32.11 H new ATOM 0 HD12 LEU A 95 8.978 7.758 -5.026 1.00 32.11 H new ATOM 0 HD13 LEU A 95 10.582 7.112 -4.605 1.00 32.11 H new ATOM 0 HD21 LEU A 95 9.536 4.340 -3.789 1.00 35.53 H new ATOM 0 HD22 LEU A 95 10.721 5.258 -2.829 1.00 35.53 H new ATOM 0 HD23 LEU A 95 9.209 4.697 -2.076 1.00 35.53 H new ATOM 1489 N ARG A 96 10.452 10.365 -2.110 1.00 34.32 N ATOM 1490 CA ARG A 96 10.394 11.729 -1.592 1.00 31.21 C ATOM 1491 C ARG A 96 8.956 12.121 -1.288 1.00 64.14 C ATOM 1492 O ARG A 96 8.018 11.441 -1.713 1.00 55.24 O ATOM 1493 CB ARG A 96 10.979 12.708 -2.608 1.00 4.13 C ATOM 1494 CG ARG A 96 12.391 12.378 -3.042 1.00 24.23 C ATOM 1495 CD ARG A 96 12.826 13.260 -4.192 1.00 73.15 C ATOM 1496 NE ARG A 96 14.095 12.820 -4.768 1.00 41.44 N ATOM 1497 CZ ARG A 96 14.259 12.474 -6.050 1.00 0.30 C ATOM 1498 NH1 ARG A 96 13.234 12.518 -6.894 1.00 31.01 N ATOM 1499 NH2 ARG A 96 15.449 12.086 -6.488 1.00 34.22 N ATOM 0 H ARG A 96 10.456 10.304 -3.128 1.00 34.32 H new ATOM 0 HA ARG A 96 10.979 11.769 -0.673 1.00 31.21 H new ATOM 0 HB2 ARG A 96 10.336 12.730 -3.488 1.00 4.13 H new ATOM 0 HB3 ARG A 96 10.967 13.710 -2.179 1.00 4.13 H new ATOM 0 HG2 ARG A 96 13.073 12.508 -2.202 1.00 24.23 H new ATOM 0 HG3 ARG A 96 12.448 11.331 -3.340 1.00 24.23 H new ATOM 0 HD2 ARG A 96 12.056 13.256 -4.964 1.00 73.15 H new ATOM 0 HD3 ARG A 96 12.923 14.288 -3.844 1.00 73.15 H new ATOM 0 HE ARG A 96 14.908 12.774 -4.153 1.00 41.44 H new ATOM 0 HH11 ARG A 96 12.316 12.817 -6.566 1.00 31.01 H new ATOM 0 HH12 ARG A 96 13.365 12.253 -7.870 1.00 31.01 H new ATOM 0 HH21 ARG A 96 16.242 12.051 -5.847 1.00 34.22 H new ATOM 0 HH22 ARG A 96 15.572 11.823 -7.466 1.00 34.22 H new ATOM 1513 N THR A 97 8.783 13.210 -0.554 1.00 3.30 N ATOM 1514 CA THR A 97 7.457 13.699 -0.216 1.00 23.21 C ATOM 1515 C THR A 97 6.676 14.047 -1.481 1.00 51.44 C ATOM 1516 O THR A 97 7.046 14.958 -2.221 1.00 52.42 O ATOM 1517 CB THR A 97 7.540 14.938 0.699 1.00 52.41 C ATOM 1518 OG1 THR A 97 8.319 14.623 1.864 1.00 31.45 O ATOM 1519 CG2 THR A 97 6.152 15.390 1.128 1.00 70.45 C ATOM 0 H THR A 97 9.548 13.773 -0.181 1.00 3.30 H new ATOM 0 HA THR A 97 6.937 12.905 0.319 1.00 23.21 H new ATOM 0 HB THR A 97 8.012 15.747 0.142 1.00 52.41 H new ATOM 0 HG1 THR A 97 7.876 13.912 2.371 1.00 31.45 H new ATOM 0 HG21 THR A 97 6.237 16.265 1.772 1.00 70.45 H new ATOM 0 HG22 THR A 97 5.564 15.645 0.246 1.00 70.45 H new ATOM 0 HG23 THR A 97 5.659 14.585 1.673 1.00 70.45 H new ATOM 1527 N GLY A 98 5.613 13.304 -1.732 1.00 53.32 N ATOM 1528 CA GLY A 98 4.813 13.538 -2.910 1.00 63.22 C ATOM 1529 C GLY A 98 4.930 12.411 -3.912 1.00 3.42 C ATOM 1530 O GLY A 98 4.072 12.258 -4.783 1.00 23.32 O ATOM 0 H GLY A 98 5.289 12.540 -1.138 1.00 53.32 H new ATOM 0 HA2 GLY A 98 3.769 13.658 -2.620 1.00 63.22 H new ATOM 0 HA3 GLY A 98 5.123 14.472 -3.378 1.00 63.22 H new ATOM 1534 N GLU A 99 5.986 11.614 -3.794 1.00 45.20 N ATOM 1535 CA GLU A 99 6.194 10.501 -4.705 1.00 33.34 C ATOM 1536 C GLU A 99 5.406 9.282 -4.263 1.00 71.13 C ATOM 1537 O GLU A 99 5.023 9.160 -3.090 1.00 62.20 O ATOM 1538 CB GLU A 99 7.674 10.137 -4.822 1.00 3.01 C ATOM 1539 CG GLU A 99 8.551 11.231 -5.399 1.00 64.44 C ATOM 1540 CD GLU A 99 9.947 10.735 -5.723 1.00 71.20 C ATOM 1541 OE1 GLU A 99 10.343 10.792 -6.910 1.00 62.42 O ATOM 1542 OE2 GLU A 99 10.648 10.275 -4.801 1.00 33.14 O ATOM 0 H GLU A 99 6.706 11.719 -3.080 1.00 45.20 H new ATOM 0 HA GLU A 99 5.838 10.822 -5.684 1.00 33.34 H new ATOM 0 HB2 GLU A 99 8.049 9.873 -3.833 1.00 3.01 H new ATOM 0 HB3 GLU A 99 7.767 9.248 -5.446 1.00 3.01 H new ATOM 0 HG2 GLU A 99 8.089 11.626 -6.304 1.00 64.44 H new ATOM 0 HG3 GLU A 99 8.616 12.055 -4.688 1.00 64.44 H new ATOM 1549 N MET A 100 5.170 8.381 -5.196 1.00 61.52 N ATOM 1550 CA MET A 100 4.432 7.172 -4.917 1.00 15.21 C ATOM 1551 C MET A 100 5.215 5.959 -5.387 1.00 71.14 C ATOM 1552 O MET A 100 5.602 5.872 -6.553 1.00 13.21 O ATOM 1553 CB MET A 100 3.066 7.215 -5.600 1.00 14.42 C ATOM 1554 CG MET A 100 2.133 6.084 -5.197 1.00 72.02 C ATOM 1555 SD MET A 100 0.528 6.180 -6.018 1.00 62.15 S ATOM 1556 CE MET A 100 0.998 5.866 -7.714 1.00 1.30 C ATOM 0 H MET A 100 5.484 8.468 -6.163 1.00 61.52 H new ATOM 0 HA MET A 100 4.281 7.096 -3.840 1.00 15.21 H new ATOM 0 HB2 MET A 100 2.587 8.166 -5.369 1.00 14.42 H new ATOM 0 HB3 MET A 100 3.211 7.184 -6.680 1.00 14.42 H new ATOM 0 HG2 MET A 100 2.602 5.129 -5.435 1.00 72.02 H new ATOM 0 HG3 MET A 100 1.986 6.107 -4.117 1.00 72.02 H new ATOM 0 HE1 MET A 100 0.120 5.945 -8.355 1.00 1.30 H new ATOM 0 HE2 MET A 100 1.743 6.598 -8.027 1.00 1.30 H new ATOM 0 HE3 MET A 100 1.418 4.863 -7.796 1.00 1.30 H new ATOM 1566 N SER A 101 5.451 5.038 -4.476 1.00 62.54 N ATOM 1567 CA SER A 101 6.178 3.825 -4.776 1.00 73.42 C ATOM 1568 C SER A 101 5.295 2.873 -5.566 1.00 70.32 C ATOM 1569 O SER A 101 4.065 2.940 -5.478 1.00 64.03 O ATOM 1570 CB SER A 101 6.645 3.156 -3.475 1.00 52.53 C ATOM 1571 OG SER A 101 7.424 1.996 -3.735 1.00 60.10 O ATOM 0 H SER A 101 5.143 5.111 -3.506 1.00 62.54 H new ATOM 0 HA SER A 101 7.053 4.075 -5.376 1.00 73.42 H new ATOM 0 HB2 SER A 101 7.231 3.865 -2.890 1.00 52.53 H new ATOM 0 HB3 SER A 101 5.778 2.885 -2.872 1.00 52.53 H new ATOM 0 HG SER A 101 6.867 1.197 -3.626 1.00 60.10 H new ATOM 1577 N GLY A 102 5.919 1.993 -6.326 1.00 3.35 N ATOM 1578 CA GLY A 102 5.180 1.045 -7.116 1.00 0.10 C ATOM 1579 C GLY A 102 4.742 -0.164 -6.312 1.00 23.13 C ATOM 1580 O GLY A 102 4.474 -0.052 -5.112 1.00 10.12 O ATOM 0 H GLY A 102 6.933 1.920 -6.409 1.00 3.35 H new ATOM 0 HA2 GLY A 102 4.302 1.534 -7.538 1.00 0.10 H new ATOM 0 HA3 GLY A 102 5.795 0.717 -7.954 1.00 0.10 H new ATOM 1584 N PRO A 103 4.680 -1.341 -6.943 1.00 73.20 N ATOM 1585 CA PRO A 103 4.216 -2.562 -6.290 1.00 12.24 C ATOM 1586 C PRO A 103 5.200 -3.118 -5.253 1.00 32.44 C ATOM 1587 O PRO A 103 6.208 -3.746 -5.597 1.00 12.10 O ATOM 1588 CB PRO A 103 4.043 -3.546 -7.452 1.00 54.01 C ATOM 1589 CG PRO A 103 4.989 -3.068 -8.498 1.00 75.14 C ATOM 1590 CD PRO A 103 5.063 -1.573 -8.351 1.00 23.42 C ATOM 0 HA PRO A 103 3.305 -2.381 -5.720 1.00 12.24 H new ATOM 0 HB2 PRO A 103 4.275 -4.566 -7.145 1.00 54.01 H new ATOM 0 HB3 PRO A 103 3.016 -3.549 -7.818 1.00 54.01 H new ATOM 0 HG2 PRO A 103 5.972 -3.520 -8.369 1.00 75.14 H new ATOM 0 HG3 PRO A 103 4.640 -3.344 -9.493 1.00 75.14 H new ATOM 0 HD2 PRO A 103 6.065 -1.199 -8.560 1.00 23.42 H new ATOM 0 HD3 PRO A 103 4.384 -1.069 -9.039 1.00 23.42 H new ATOM 1598 N VAL A 104 4.912 -2.865 -3.990 1.00 65.24 N ATOM 1599 CA VAL A 104 5.700 -3.410 -2.904 1.00 34.35 C ATOM 1600 C VAL A 104 5.021 -4.673 -2.394 1.00 33.53 C ATOM 1601 O VAL A 104 3.991 -4.610 -1.731 1.00 15.50 O ATOM 1602 CB VAL A 104 5.852 -2.398 -1.743 1.00 72.12 C ATOM 1603 CG1 VAL A 104 6.727 -2.971 -0.635 1.00 72.53 C ATOM 1604 CG2 VAL A 104 6.422 -1.083 -2.253 1.00 70.21 C ATOM 0 H VAL A 104 4.131 -2.281 -3.691 1.00 65.24 H new ATOM 0 HA VAL A 104 6.698 -3.634 -3.279 1.00 34.35 H new ATOM 0 HB VAL A 104 4.863 -2.206 -1.327 1.00 72.12 H new ATOM 0 HG11 VAL A 104 6.819 -2.242 0.170 1.00 72.53 H new ATOM 0 HG12 VAL A 104 6.273 -3.883 -0.248 1.00 72.53 H new ATOM 0 HG13 VAL A 104 7.716 -3.199 -1.033 1.00 72.53 H new ATOM 0 HG21 VAL A 104 6.522 -0.384 -1.423 1.00 70.21 H new ATOM 0 HG22 VAL A 104 7.401 -1.259 -2.699 1.00 70.21 H new ATOM 0 HG23 VAL A 104 5.752 -0.663 -3.003 1.00 70.21 H new ATOM 1614 N PHE A 105 5.589 -5.809 -2.720 1.00 73.33 N ATOM 1615 CA PHE A 105 4.988 -7.092 -2.383 1.00 12.32 C ATOM 1616 C PHE A 105 5.121 -7.411 -0.899 1.00 70.32 C ATOM 1617 O PHE A 105 6.151 -7.135 -0.275 1.00 13.34 O ATOM 1618 CB PHE A 105 5.606 -8.200 -3.236 1.00 24.11 C ATOM 1619 CG PHE A 105 5.441 -7.965 -4.711 1.00 25.33 C ATOM 1620 CD1 PHE A 105 6.422 -7.308 -5.437 1.00 14.21 C ATOM 1621 CD2 PHE A 105 4.299 -8.387 -5.367 1.00 72.43 C ATOM 1622 CE1 PHE A 105 6.265 -7.080 -6.790 1.00 32.15 C ATOM 1623 CE2 PHE A 105 4.138 -8.164 -6.719 1.00 43.31 C ATOM 1624 CZ PHE A 105 5.121 -7.508 -7.431 1.00 25.50 C ATOM 0 H PHE A 105 6.474 -5.878 -3.222 1.00 73.33 H new ATOM 0 HA PHE A 105 3.922 -7.029 -2.601 1.00 12.32 H new ATOM 0 HB2 PHE A 105 6.668 -8.281 -3.003 1.00 24.11 H new ATOM 0 HB3 PHE A 105 5.148 -9.153 -2.972 1.00 24.11 H new ATOM 0 HD1 PHE A 105 7.319 -6.971 -4.939 1.00 14.21 H new ATOM 0 HD2 PHE A 105 3.524 -8.897 -4.814 1.00 72.43 H new ATOM 0 HE1 PHE A 105 7.037 -6.567 -7.345 1.00 32.15 H new ATOM 0 HE2 PHE A 105 3.243 -8.503 -7.220 1.00 43.31 H new ATOM 0 HZ PHE A 105 4.995 -7.330 -8.489 1.00 25.50 H new ATOM 1634 N THR A 106 4.064 -7.974 -0.338 1.00 11.13 N ATOM 1635 CA THR A 106 4.021 -8.332 1.066 1.00 2.14 C ATOM 1636 C THR A 106 3.094 -9.554 1.258 1.00 0.41 C ATOM 1637 O THR A 106 2.302 -9.878 0.367 1.00 22.43 O ATOM 1638 CB THR A 106 3.514 -7.133 1.918 1.00 54.14 C ATOM 1639 OG1 THR A 106 4.223 -5.939 1.540 1.00 21.24 O ATOM 1640 CG2 THR A 106 3.734 -7.381 3.403 1.00 51.35 C ATOM 0 H THR A 106 3.209 -8.196 -0.848 1.00 11.13 H new ATOM 0 HA THR A 106 5.027 -8.587 1.399 1.00 2.14 H new ATOM 0 HB THR A 106 2.446 -7.018 1.734 1.00 54.14 H new ATOM 0 HG1 THR A 106 3.631 -5.163 1.635 1.00 21.24 H new ATOM 0 HG21 THR A 106 3.370 -6.526 3.973 1.00 51.35 H new ATOM 0 HG22 THR A 106 3.192 -8.277 3.707 1.00 51.35 H new ATOM 0 HG23 THR A 106 4.798 -7.518 3.595 1.00 51.35 H new ATOM 1648 N ASP A 107 3.210 -10.221 2.410 1.00 43.15 N ATOM 1649 CA ASP A 107 2.425 -11.431 2.721 1.00 44.02 C ATOM 1650 C ASP A 107 0.930 -11.243 2.494 1.00 75.32 C ATOM 1651 O ASP A 107 0.299 -12.047 1.812 1.00 5.34 O ATOM 1652 CB ASP A 107 2.677 -11.882 4.157 1.00 62.40 C ATOM 1653 CG ASP A 107 4.083 -12.379 4.362 1.00 50.12 C ATOM 1654 OD1 ASP A 107 4.931 -11.599 4.829 1.00 73.12 O ATOM 1655 OD2 ASP A 107 4.356 -13.554 4.044 1.00 51.34 O ATOM 0 H ASP A 107 3.848 -9.942 3.155 1.00 43.15 H new ATOM 0 HA ASP A 107 2.763 -12.202 2.029 1.00 44.02 H new ATOM 0 HB2 ASP A 107 2.486 -11.051 4.835 1.00 62.40 H new ATOM 0 HB3 ASP A 107 1.973 -12.673 4.416 1.00 62.40 H new ATOM 1660 N SER A 108 0.360 -10.197 3.078 1.00 72.54 N ATOM 1661 CA SER A 108 -1.059 -9.925 2.903 1.00 24.44 C ATOM 1662 C SER A 108 -1.378 -9.600 1.448 1.00 64.42 C ATOM 1663 O SER A 108 -2.287 -10.184 0.850 1.00 23.14 O ATOM 1664 CB SER A 108 -1.503 -8.774 3.804 1.00 3.01 C ATOM 1665 OG SER A 108 -1.328 -9.098 5.169 1.00 71.05 O ATOM 0 H SER A 108 0.853 -9.530 3.671 1.00 72.54 H new ATOM 0 HA SER A 108 -1.607 -10.824 3.185 1.00 24.44 H new ATOM 0 HB2 SER A 108 -0.930 -7.878 3.564 1.00 3.01 H new ATOM 0 HB3 SER A 108 -2.551 -8.543 3.614 1.00 3.01 H new ATOM 0 HG SER A 108 -1.618 -8.344 5.724 1.00 71.05 H new ATOM 1671 N GLY A 109 -0.623 -8.681 0.879 1.00 40.24 N ATOM 1672 CA GLY A 109 -0.855 -8.287 -0.480 1.00 50.45 C ATOM 1673 C GLY A 109 0.150 -7.282 -0.953 1.00 3.53 C ATOM 1674 O GLY A 109 1.140 -7.018 -0.270 1.00 63.43 O ATOM 0 H GLY A 109 0.150 -8.201 1.340 1.00 40.24 H new ATOM 0 HA2 GLY A 109 -0.819 -9.166 -1.123 1.00 50.45 H new ATOM 0 HA3 GLY A 109 -1.857 -7.867 -0.570 1.00 50.45 H new ATOM 1678 N ILE A 110 -0.107 -6.709 -2.105 1.00 20.43 N ATOM 1679 CA ILE A 110 0.783 -5.728 -2.678 1.00 40.33 C ATOM 1680 C ILE A 110 0.480 -4.353 -2.097 1.00 31.12 C ATOM 1681 O ILE A 110 -0.687 -3.971 -1.954 1.00 42.43 O ATOM 1682 CB ILE A 110 0.657 -5.687 -4.217 1.00 50.15 C ATOM 1683 CG1 ILE A 110 0.808 -7.099 -4.796 1.00 51.44 C ATOM 1684 CG2 ILE A 110 1.706 -4.752 -4.811 1.00 5.54 C ATOM 1685 CD1 ILE A 110 0.602 -7.175 -6.294 1.00 2.03 C ATOM 0 H ILE A 110 -0.934 -6.908 -2.668 1.00 20.43 H new ATOM 0 HA ILE A 110 1.806 -6.012 -2.430 1.00 40.33 H new ATOM 0 HB ILE A 110 -0.330 -5.306 -4.478 1.00 50.15 H new ATOM 0 HG12 ILE A 110 1.803 -7.474 -4.557 1.00 51.44 H new ATOM 0 HG13 ILE A 110 0.092 -7.760 -4.307 1.00 51.44 H new ATOM 0 HG21 ILE A 110 1.604 -4.734 -5.896 1.00 5.54 H new ATOM 0 HG22 ILE A 110 1.562 -3.746 -4.416 1.00 5.54 H new ATOM 0 HG23 ILE A 110 2.702 -5.107 -4.546 1.00 5.54 H new ATOM 0 HD11 ILE A 110 0.725 -8.206 -6.626 1.00 2.03 H new ATOM 0 HD12 ILE A 110 -0.403 -6.832 -6.541 1.00 2.03 H new ATOM 0 HD13 ILE A 110 1.335 -6.542 -6.795 1.00 2.03 H new ATOM 1697 N HIS A 111 1.524 -3.630 -1.742 1.00 42.21 N ATOM 1698 CA HIS A 111 1.383 -2.321 -1.141 1.00 51.11 C ATOM 1699 C HIS A 111 1.829 -1.220 -2.077 1.00 74.21 C ATOM 1700 O HIS A 111 2.900 -1.296 -2.673 1.00 31.51 O ATOM 1701 CB HIS A 111 2.215 -2.221 0.147 1.00 11.15 C ATOM 1702 CG HIS A 111 1.744 -3.085 1.265 1.00 33.44 C ATOM 1703 ND1 HIS A 111 2.581 -3.566 2.245 1.00 1.42 N ATOM 1704 CD2 HIS A 111 0.515 -3.525 1.580 1.00 30.24 C ATOM 1705 CE1 HIS A 111 1.882 -4.261 3.113 1.00 43.45 C ATOM 1706 NE2 HIS A 111 0.624 -4.254 2.737 1.00 20.25 N ATOM 0 H HIS A 111 2.490 -3.933 -1.862 1.00 42.21 H new ATOM 0 HA HIS A 111 0.323 -2.195 -0.919 1.00 51.11 H new ATOM 0 HB2 HIS A 111 3.248 -2.481 -0.084 1.00 11.15 H new ATOM 0 HB3 HIS A 111 2.215 -1.184 0.483 1.00 11.15 H new ATOM 0 HD2 HIS A 111 -0.392 -3.339 1.025 1.00 30.24 H new ATOM 0 HE1 HIS A 111 2.276 -4.755 3.989 1.00 43.45 H new ATOM 0 HE2 HIS A 111 -0.145 -4.714 3.224 1.00 20.25 H new ATOM 1715 N ILE A 112 0.998 -0.214 -2.215 1.00 1.13 N ATOM 1716 CA ILE A 112 1.370 0.992 -2.922 1.00 61.42 C ATOM 1717 C ILE A 112 1.612 2.055 -1.867 1.00 34.53 C ATOM 1718 O ILE A 112 0.789 2.221 -0.963 1.00 42.45 O ATOM 1719 CB ILE A 112 0.266 1.476 -3.894 1.00 55.24 C ATOM 1720 CG1 ILE A 112 -0.227 0.323 -4.771 1.00 14.14 C ATOM 1721 CG2 ILE A 112 0.794 2.611 -4.765 1.00 11.21 C ATOM 1722 CD1 ILE A 112 -1.354 0.708 -5.712 1.00 71.10 C ATOM 0 H ILE A 112 0.048 -0.206 -1.843 1.00 1.13 H new ATOM 0 HA ILE A 112 2.254 0.796 -3.529 1.00 61.42 H new ATOM 0 HB ILE A 112 -0.574 1.843 -3.305 1.00 55.24 H new ATOM 0 HG12 ILE A 112 0.609 -0.058 -5.357 1.00 14.14 H new ATOM 0 HG13 ILE A 112 -0.564 -0.491 -4.129 1.00 14.14 H new ATOM 0 HG21 ILE A 112 0.009 2.943 -5.445 1.00 11.21 H new ATOM 0 HG22 ILE A 112 1.102 3.443 -4.131 1.00 11.21 H new ATOM 0 HG23 ILE A 112 1.649 2.259 -5.342 1.00 11.21 H new ATOM 0 HD11 ILE A 112 -1.650 -0.161 -6.300 1.00 71.10 H new ATOM 0 HD12 ILE A 112 -2.207 1.061 -5.133 1.00 71.10 H new ATOM 0 HD13 ILE A 112 -1.016 1.500 -6.380 1.00 71.10 H new ATOM 1734 N ILE A 113 2.726 2.746 -1.941 1.00 23.11 N ATOM 1735 CA ILE A 113 3.072 3.698 -0.895 1.00 24.03 C ATOM 1736 C ILE A 113 3.156 5.120 -1.419 1.00 43.52 C ATOM 1737 O ILE A 113 3.969 5.425 -2.285 1.00 53.42 O ATOM 1738 CB ILE A 113 4.416 3.326 -0.227 1.00 15.15 C ATOM 1739 CG1 ILE A 113 4.383 1.875 0.263 1.00 71.13 C ATOM 1740 CG2 ILE A 113 4.716 4.275 0.932 1.00 1.22 C ATOM 1741 CD1 ILE A 113 5.700 1.389 0.821 1.00 21.25 C ATOM 0 H ILE A 113 3.403 2.674 -2.700 1.00 23.11 H new ATOM 0 HA ILE A 113 2.270 3.648 -0.158 1.00 24.03 H new ATOM 0 HB ILE A 113 5.211 3.424 -0.967 1.00 15.15 H new ATOM 0 HG12 ILE A 113 3.616 1.778 1.031 1.00 71.13 H new ATOM 0 HG13 ILE A 113 4.089 1.229 -0.564 1.00 71.13 H new ATOM 0 HG21 ILE A 113 5.665 4.000 1.391 1.00 1.22 H new ATOM 0 HG22 ILE A 113 4.777 5.297 0.559 1.00 1.22 H new ATOM 0 HG23 ILE A 113 3.920 4.206 1.674 1.00 1.22 H new ATOM 0 HD11 ILE A 113 5.597 0.354 1.147 1.00 21.25 H new ATOM 0 HD12 ILE A 113 6.467 1.452 0.050 1.00 21.25 H new ATOM 0 HD13 ILE A 113 5.987 2.010 1.670 1.00 21.25 H new ATOM 1753 N LEU A 114 2.317 5.982 -0.885 1.00 23.33 N ATOM 1754 CA LEU A 114 2.331 7.388 -1.238 1.00 53.21 C ATOM 1755 C LEU A 114 2.830 8.191 -0.053 1.00 63.44 C ATOM 1756 O LEU A 114 2.169 8.250 0.984 1.00 12.05 O ATOM 1757 CB LEU A 114 0.929 7.864 -1.640 1.00 3.33 C ATOM 1758 CG LEU A 114 0.799 9.364 -1.952 1.00 52.43 C ATOM 1759 CD1 LEU A 114 1.604 9.736 -3.186 1.00 35.51 C ATOM 1760 CD2 LEU A 114 -0.660 9.749 -2.128 1.00 40.35 C ATOM 0 H LEU A 114 1.608 5.730 -0.196 1.00 23.33 H new ATOM 0 HA LEU A 114 2.995 7.533 -2.090 1.00 53.21 H new ATOM 0 HB2 LEU A 114 0.611 7.300 -2.517 1.00 3.33 H new ATOM 0 HB3 LEU A 114 0.237 7.618 -0.835 1.00 3.33 H new ATOM 0 HG LEU A 114 1.203 9.921 -1.106 1.00 52.43 H new ATOM 0 HD11 LEU A 114 1.494 10.802 -3.384 1.00 35.51 H new ATOM 0 HD12 LEU A 114 2.656 9.504 -3.018 1.00 35.51 H new ATOM 0 HD13 LEU A 114 1.240 9.169 -4.043 1.00 35.51 H new ATOM 0 HD21 LEU A 114 -0.731 10.814 -2.348 1.00 40.35 H new ATOM 0 HD22 LEU A 114 -1.090 9.179 -2.951 1.00 40.35 H new ATOM 0 HD23 LEU A 114 -1.207 9.531 -1.211 1.00 40.35 H new ATOM 1772 N ARG A 115 3.996 8.793 -0.190 1.00 63.44 N ATOM 1773 CA ARG A 115 4.558 9.575 0.893 1.00 13.01 C ATOM 1774 C ARG A 115 3.829 10.903 1.023 1.00 21.32 C ATOM 1775 O ARG A 115 3.984 11.797 0.187 1.00 71.14 O ATOM 1776 CB ARG A 115 6.059 9.792 0.696 1.00 70.35 C ATOM 1777 CG ARG A 115 6.711 10.603 1.807 1.00 2.01 C ATOM 1778 CD ARG A 115 8.218 10.657 1.640 1.00 75.11 C ATOM 1779 NE ARG A 115 8.846 11.606 2.565 1.00 22.01 N ATOM 1780 CZ ARG A 115 10.168 11.796 2.665 1.00 51.55 C ATOM 1781 NH1 ARG A 115 11.004 11.087 1.916 1.00 32.12 N ATOM 1782 NH2 ARG A 115 10.649 12.690 3.516 1.00 71.20 N ATOM 0 H ARG A 115 4.568 8.756 -1.034 1.00 63.44 H new ATOM 0 HA ARG A 115 4.424 9.017 1.820 1.00 13.01 H new ATOM 0 HB2 ARG A 115 6.552 8.822 0.629 1.00 70.35 H new ATOM 0 HB3 ARG A 115 6.222 10.299 -0.255 1.00 70.35 H new ATOM 0 HG2 ARG A 115 6.307 11.615 1.806 1.00 2.01 H new ATOM 0 HG3 ARG A 115 6.466 10.162 2.773 1.00 2.01 H new ATOM 0 HD2 ARG A 115 8.635 9.663 1.803 1.00 75.11 H new ATOM 0 HD3 ARG A 115 8.458 10.939 0.615 1.00 75.11 H new ATOM 0 HE ARG A 115 8.237 12.156 3.171 1.00 22.01 H new ATOM 0 HH11 ARG A 115 10.640 10.395 1.261 1.00 32.12 H new ATOM 0 HH12 ARG A 115 12.010 11.235 1.995 1.00 32.12 H new ATOM 0 HH21 ARG A 115 10.012 13.235 4.097 1.00 71.20 H new ATOM 0 HH22 ARG A 115 11.656 12.833 3.590 1.00 71.20 H new ATOM 1796 N THR A 116 3.027 11.013 2.066 1.00 61.24 N ATOM 1797 CA THR A 116 2.248 12.201 2.325 1.00 21.32 C ATOM 1798 C THR A 116 3.150 13.328 2.817 1.00 62.25 C ATOM 1799 O THR A 116 3.115 14.444 2.296 1.00 31.11 O ATOM 1800 CB THR A 116 1.183 11.912 3.397 1.00 25.23 C ATOM 1801 OG1 THR A 116 0.684 10.574 3.226 1.00 74.13 O ATOM 1802 CG2 THR A 116 0.031 12.901 3.293 1.00 3.32 C ATOM 0 H THR A 116 2.900 10.275 2.758 1.00 61.24 H new ATOM 0 HA THR A 116 1.763 12.501 1.396 1.00 21.32 H new ATOM 0 HB THR A 116 1.641 12.015 4.381 1.00 25.23 H new ATOM 0 HG1 THR A 116 0.116 10.337 3.989 1.00 74.13 H new ATOM 0 HG21 THR A 116 -0.710 12.678 4.060 1.00 3.32 H new ATOM 0 HG22 THR A 116 0.407 13.914 3.435 1.00 3.32 H new ATOM 0 HG23 THR A 116 -0.430 12.820 2.309 1.00 3.32 H new ATOM 1810 N GLU A 117 3.963 13.018 3.814 1.00 24.55 N ATOM 1811 CA GLU A 117 4.876 13.979 4.399 1.00 12.12 C ATOM 1812 C GLU A 117 6.205 13.307 4.692 1.00 74.01 C ATOM 1813 O GLU A 117 6.331 12.685 5.766 1.00 0.00 O ATOM 1814 CB GLU A 117 4.291 14.571 5.690 1.00 42.02 C ATOM 1815 CG GLU A 117 2.997 15.345 5.493 1.00 2.21 C ATOM 1816 CD GLU A 117 2.368 15.767 6.801 1.00 5.20 C ATOM 1817 OE1 GLU A 117 1.165 15.488 7.006 1.00 52.31 O ATOM 1818 OE2 GLU A 117 3.074 16.369 7.638 1.00 15.42 O ATOM 1819 OXT GLU A 117 7.115 13.388 3.839 1.00 0.00 O ATOM 0 H GLU A 117 4.006 12.092 4.239 1.00 24.55 H new ATOM 0 HA GLU A 117 5.029 14.792 3.689 1.00 12.12 H new ATOM 0 HB2 GLU A 117 4.113 13.762 6.399 1.00 42.02 H new ATOM 0 HB3 GLU A 117 5.031 15.232 6.141 1.00 42.02 H new ATOM 0 HG2 GLU A 117 3.195 16.229 4.887 1.00 2.21 H new ATOM 0 HG3 GLU A 117 2.291 14.729 4.936 1.00 2.21 H new TER 1826 GLU A 117