USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 905 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 12 SER OG : rot 180:sc= 0.796 USER MOD Set 1.2: A 116 THR OG1 : rot -108:sc= 0.93 USER MOD Set 2.1: A 106 THR OG1 : rot -170:sc= -0.0324 USER MOD Set 2.2: A 111 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.3) USER MOD Set 3.1: A 13 HIS : no HD1:sc= -5.3! C(o=-5.3!,f=-12!) USER MOD Set 3.2: A 69 SER OG : rot -130:sc= 0 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 HE2:sc= 0.97 K(o=0.97,f=-3!) USER MOD Single : A 4 MET CE :methyl 160:sc= -0.0959 (180deg=-0.586) USER MOD Single : A 11 CYS SG : rot -159:sc= -1.47 USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 1.01 (180deg=0.873) USER MOD Single : A 18 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-4.4!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.747 USER MOD Single : A 20 GLN : amide:sc= -0.0816 X(o=-0.082,f=-0.33) USER MOD Single : A 21 SER OG : rot 126:sc= 0.89 USER MOD Single : A 25 SER OG : rot 39:sc= -0.193 USER MOD Single : A 26 SER OG : rot 135:sc= -0.339 USER MOD Single : A 29 GLN : amide:sc= -2.81! C(o=-2.8!,f=-8.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0863 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.484 K(o=-0.48,f=-3.1) USER MOD Single : A 46 TYR OH : rot -39:sc= 0.192 USER MOD Single : A 48 GLN : amide:sc= -0.0683 X(o=-0.068,f=-0.061) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0462) USER MOD Single : A 51 LYS NZ :NH3+ 135:sc= 1.27 (180deg=0.977) USER MOD Single : A 52 SER OG : rot 63:sc= 1.27 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 23:sc= 1.27 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 65 SER OG : rot -131:sc= 2.2 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 0.881 (180deg=0.859) USER MOD Single : A 80 SER OG : rot 76:sc= 1.04 USER MOD Single : A 83 GLN : amide:sc= -0.0296 X(o=-0.03,f=0.1) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc=-0.00157 X(o=-0.0016,f=-0.0016) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 60:sc= 1.05 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 100 MET CE :methyl -165:sc= -0.416 (180deg=-0.668) USER MOD Single : A 101 SER OG : rot 80:sc= -1.58! USER MOD Single : A 108 SER OG : rot 180:sc= 0.017 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.030 -19.846 17.901 1.00 54.54 N ATOM 2 CA GLY A 1 8.845 -19.192 16.860 1.00 3.54 C ATOM 3 C GLY A 1 9.872 -20.134 16.277 1.00 33.14 C ATOM 4 O GLY A 1 9.530 -21.246 15.864 1.00 21.55 O ATOM 0 H1 GLY A 1 7.337 -19.168 18.277 1.00 54.54 H new ATOM 0 H2 GLY A 1 7.530 -20.660 17.490 1.00 54.54 H new ATOM 0 H3 GLY A 1 8.648 -20.172 18.671 1.00 54.54 H new ATOM 0 HA2 GLY A 1 8.195 -18.827 16.065 1.00 3.54 H new ATOM 0 HA3 GLY A 1 9.348 -18.323 17.285 1.00 3.54 H new ATOM 10 N SER A 2 11.128 -19.691 16.237 1.00 12.14 N ATOM 11 CA SER A 2 12.242 -20.500 15.728 1.00 51.32 C ATOM 12 C SER A 2 12.090 -20.810 14.230 1.00 11.52 C ATOM 13 O SER A 2 12.497 -21.876 13.763 1.00 40.03 O ATOM 14 CB SER A 2 12.366 -21.803 16.532 1.00 54.22 C ATOM 15 OG SER A 2 12.499 -21.539 17.925 1.00 21.11 O ATOM 0 H SER A 2 11.405 -18.762 16.556 1.00 12.14 H new ATOM 0 HA SER A 2 13.154 -19.915 15.850 1.00 51.32 H new ATOM 0 HB2 SER A 2 11.487 -22.425 16.359 1.00 54.22 H new ATOM 0 HB3 SER A 2 13.230 -22.368 16.182 1.00 54.22 H new ATOM 0 HG SER A 2 12.574 -22.386 18.413 1.00 21.11 H new ATOM 21 N HIS A 3 11.532 -19.871 13.477 1.00 64.54 N ATOM 22 CA HIS A 3 11.346 -20.069 12.043 1.00 21.22 C ATOM 23 C HIS A 3 11.685 -18.805 11.271 1.00 31.22 C ATOM 24 O HIS A 3 11.738 -17.717 11.840 1.00 71.43 O ATOM 25 CB HIS A 3 9.906 -20.515 11.722 1.00 44.32 C ATOM 26 CG HIS A 3 8.853 -19.477 11.999 1.00 4.33 C ATOM 27 ND1 HIS A 3 8.421 -18.566 11.058 1.00 2.35 N ATOM 28 CD2 HIS A 3 8.138 -19.222 13.114 1.00 64.24 C ATOM 29 CE1 HIS A 3 7.491 -17.799 11.583 1.00 73.04 C ATOM 30 NE2 HIS A 3 7.298 -18.177 12.830 1.00 44.22 N ATOM 0 H HIS A 3 11.203 -18.972 13.830 1.00 64.54 H new ATOM 0 HA HIS A 3 12.028 -20.861 11.732 1.00 21.22 H new ATOM 0 HB2 HIS A 3 9.853 -20.796 10.670 1.00 44.32 H new ATOM 0 HB3 HIS A 3 9.678 -21.409 12.303 1.00 44.32 H new ATOM 0 HD1 HIS A 3 8.769 -18.498 10.102 1.00 2.35 H new ATOM 0 HD2 HIS A 3 8.213 -19.745 14.056 1.00 64.24 H new ATOM 0 HE1 HIS A 3 6.974 -16.996 11.078 1.00 73.04 H new ATOM 39 N MET A 4 11.902 -18.958 9.978 1.00 73.34 N ATOM 40 CA MET A 4 12.212 -17.835 9.115 1.00 75.05 C ATOM 41 C MET A 4 10.943 -17.336 8.443 1.00 51.41 C ATOM 42 O MET A 4 9.837 -17.796 8.763 1.00 44.42 O ATOM 43 CB MET A 4 13.255 -18.228 8.051 1.00 63.12 C ATOM 44 CG MET A 4 14.658 -18.497 8.598 1.00 0.32 C ATOM 45 SD MET A 4 14.764 -19.985 9.626 1.00 21.45 S ATOM 46 CE MET A 4 14.353 -21.260 8.434 1.00 32.42 C ATOM 0 H MET A 4 11.869 -19.858 9.499 1.00 73.34 H new ATOM 0 HA MET A 4 12.635 -17.037 9.726 1.00 75.05 H new ATOM 0 HB2 MET A 4 12.905 -19.120 7.532 1.00 63.12 H new ATOM 0 HB3 MET A 4 13.316 -17.431 7.310 1.00 63.12 H new ATOM 0 HG2 MET A 4 15.352 -18.592 7.763 1.00 0.32 H new ATOM 0 HG3 MET A 4 14.981 -17.637 9.184 1.00 0.32 H new ATOM 0 HE1 MET A 4 14.711 -22.224 8.795 1.00 32.42 H new ATOM 0 HE2 MET A 4 13.272 -21.300 8.303 1.00 32.42 H new ATOM 0 HE3 MET A 4 14.826 -21.031 7.479 1.00 32.42 H new ATOM 56 N GLU A 5 11.094 -16.413 7.516 1.00 24.25 N ATOM 57 CA GLU A 5 9.960 -15.862 6.807 1.00 11.20 C ATOM 58 C GLU A 5 9.609 -16.755 5.614 1.00 3.41 C ATOM 59 O GLU A 5 10.456 -17.522 5.138 1.00 24.14 O ATOM 60 CB GLU A 5 10.239 -14.407 6.350 1.00 22.34 C ATOM 61 CG GLU A 5 11.352 -14.248 5.312 1.00 71.12 C ATOM 62 CD GLU A 5 12.731 -14.551 5.857 1.00 31.55 C ATOM 63 OE1 GLU A 5 13.361 -13.642 6.436 1.00 24.11 O ATOM 64 OE2 GLU A 5 13.194 -15.696 5.706 1.00 71.53 O ATOM 0 H GLU A 5 11.996 -16.028 7.236 1.00 24.25 H new ATOM 0 HA GLU A 5 9.107 -15.832 7.485 1.00 11.20 H new ATOM 0 HB2 GLU A 5 9.319 -13.991 5.939 1.00 22.34 H new ATOM 0 HB3 GLU A 5 10.495 -13.811 7.226 1.00 22.34 H new ATOM 0 HG2 GLU A 5 11.149 -14.909 4.469 1.00 71.12 H new ATOM 0 HG3 GLU A 5 11.337 -13.228 4.928 1.00 71.12 H new ATOM 71 N PRO A 6 8.355 -16.698 5.135 1.00 32.11 N ATOM 72 CA PRO A 6 7.908 -17.502 3.993 1.00 53.43 C ATOM 73 C PRO A 6 8.708 -17.196 2.736 1.00 65.05 C ATOM 74 O PRO A 6 9.172 -16.068 2.543 1.00 45.45 O ATOM 75 CB PRO A 6 6.444 -17.083 3.800 1.00 41.04 C ATOM 76 CG PRO A 6 6.041 -16.485 5.100 1.00 24.03 C ATOM 77 CD PRO A 6 7.276 -15.854 5.665 1.00 52.00 C ATOM 0 HA PRO A 6 8.036 -18.569 4.174 1.00 53.43 H new ATOM 0 HB2 PRO A 6 6.343 -16.364 2.987 1.00 41.04 H new ATOM 0 HB3 PRO A 6 5.818 -17.939 3.548 1.00 41.04 H new ATOM 0 HG2 PRO A 6 5.253 -15.745 4.961 1.00 24.03 H new ATOM 0 HG3 PRO A 6 5.648 -17.246 5.774 1.00 24.03 H new ATOM 0 HD2 PRO A 6 7.381 -14.817 5.345 1.00 52.00 H new ATOM 0 HD3 PRO A 6 7.265 -15.852 6.755 1.00 52.00 H new ATOM 85 N ALA A 7 8.874 -18.203 1.889 1.00 23.04 N ATOM 86 CA ALA A 7 9.603 -18.041 0.642 1.00 14.30 C ATOM 87 C ALA A 7 8.889 -17.045 -0.264 1.00 21.23 C ATOM 88 O ALA A 7 9.521 -16.291 -1.004 1.00 3.15 O ATOM 89 CB ALA A 7 9.761 -19.382 -0.057 1.00 3.41 C ATOM 0 H ALA A 7 8.511 -19.143 2.045 1.00 23.04 H new ATOM 0 HA ALA A 7 10.596 -17.651 0.867 1.00 14.30 H new ATOM 0 HB1 ALA A 7 10.309 -19.244 -0.989 1.00 3.41 H new ATOM 0 HB2 ALA A 7 10.311 -20.067 0.589 1.00 3.41 H new ATOM 0 HB3 ALA A 7 8.777 -19.798 -0.273 1.00 3.41 H new ATOM 95 N ARG A 8 7.567 -17.052 -0.193 1.00 33.11 N ATOM 96 CA ARG A 8 6.740 -16.136 -0.957 1.00 54.32 C ATOM 97 C ARG A 8 5.681 -15.543 -0.049 1.00 1.42 C ATOM 98 O ARG A 8 5.142 -16.236 0.819 1.00 71.35 O ATOM 99 CB ARG A 8 6.037 -16.856 -2.106 1.00 13.24 C ATOM 100 CG ARG A 8 6.940 -17.667 -3.012 1.00 21.30 C ATOM 101 CD ARG A 8 6.117 -18.409 -4.047 1.00 44.04 C ATOM 102 NE ARG A 8 5.027 -19.166 -3.422 1.00 15.11 N ATOM 103 CZ ARG A 8 3.955 -19.632 -4.065 1.00 43.42 C ATOM 104 NH1 ARG A 8 3.828 -19.454 -5.376 1.00 60.42 N ATOM 105 NH2 ARG A 8 3.009 -20.273 -3.392 1.00 42.54 N ATOM 0 H ARG A 8 7.038 -17.694 0.397 1.00 33.11 H new ATOM 0 HA ARG A 8 7.385 -15.358 -1.365 1.00 54.32 H new ATOM 0 HB2 ARG A 8 5.279 -17.519 -1.688 1.00 13.24 H new ATOM 0 HB3 ARG A 8 5.514 -16.115 -2.711 1.00 13.24 H new ATOM 0 HG2 ARG A 8 7.654 -17.010 -3.508 1.00 21.30 H new ATOM 0 HG3 ARG A 8 7.518 -18.377 -2.420 1.00 21.30 H new ATOM 0 HD2 ARG A 8 5.704 -17.699 -4.763 1.00 44.04 H new ATOM 0 HD3 ARG A 8 6.760 -19.089 -4.606 1.00 44.04 H new ATOM 0 HE ARG A 8 5.094 -19.350 -2.421 1.00 15.11 H new ATOM 0 HH11 ARG A 8 4.552 -18.959 -5.896 1.00 60.42 H new ATOM 0 HH12 ARG A 8 3.006 -19.813 -5.862 1.00 60.42 H new ATOM 0 HH21 ARG A 8 3.102 -20.409 -2.385 1.00 42.54 H new ATOM 0 HH22 ARG A 8 2.188 -20.630 -3.881 1.00 42.54 H new ATOM 119 N VAL A 9 5.386 -14.279 -0.235 1.00 64.30 N ATOM 120 CA VAL A 9 4.362 -13.623 0.548 1.00 52.51 C ATOM 121 C VAL A 9 3.338 -12.960 -0.360 1.00 32.25 C ATOM 122 O VAL A 9 3.695 -12.318 -1.354 1.00 74.23 O ATOM 123 CB VAL A 9 4.955 -12.566 1.528 1.00 41.43 C ATOM 124 CG1 VAL A 9 5.896 -13.224 2.527 1.00 4.43 C ATOM 125 CG2 VAL A 9 5.677 -11.453 0.774 1.00 40.23 C ATOM 0 H VAL A 9 5.841 -13.681 -0.924 1.00 64.30 H new ATOM 0 HA VAL A 9 3.877 -14.396 1.144 1.00 52.51 H new ATOM 0 HB VAL A 9 4.123 -12.120 2.074 1.00 41.43 H new ATOM 0 HG11 VAL A 9 6.298 -12.467 3.201 1.00 4.43 H new ATOM 0 HG12 VAL A 9 5.350 -13.971 3.104 1.00 4.43 H new ATOM 0 HG13 VAL A 9 6.715 -13.706 1.993 1.00 4.43 H new ATOM 0 HG21 VAL A 9 6.079 -10.732 1.486 1.00 40.23 H new ATOM 0 HG22 VAL A 9 6.493 -11.879 0.190 1.00 40.23 H new ATOM 0 HG23 VAL A 9 4.976 -10.951 0.107 1.00 40.23 H new ATOM 135 N ARG A 10 2.070 -13.155 -0.055 1.00 41.45 N ATOM 136 CA ARG A 10 1.018 -12.511 -0.806 1.00 14.24 C ATOM 137 C ARG A 10 0.449 -11.355 -0.007 1.00 62.43 C ATOM 138 O ARG A 10 -0.220 -11.557 1.015 1.00 22.23 O ATOM 139 CB ARG A 10 -0.097 -13.491 -1.175 1.00 74.23 C ATOM 140 CG ARG A 10 -1.224 -12.832 -1.950 1.00 24.53 C ATOM 141 CD ARG A 10 -2.363 -13.788 -2.235 1.00 0.31 C ATOM 142 NE ARG A 10 -3.497 -13.090 -2.845 1.00 52.23 N ATOM 143 CZ ARG A 10 -4.772 -13.460 -2.716 1.00 40.53 C ATOM 144 NH1 ARG A 10 -5.083 -14.560 -2.042 1.00 73.12 N ATOM 145 NH2 ARG A 10 -5.735 -12.724 -3.251 1.00 1.23 N ATOM 0 H ARG A 10 1.747 -13.753 0.706 1.00 41.45 H new ATOM 0 HA ARG A 10 1.451 -12.138 -1.734 1.00 14.24 H new ATOM 0 HB2 ARG A 10 0.321 -14.303 -1.770 1.00 74.23 H new ATOM 0 HB3 ARG A 10 -0.499 -13.937 -0.265 1.00 74.23 H new ATOM 0 HG2 ARG A 10 -1.601 -11.980 -1.384 1.00 24.53 H new ATOM 0 HG3 ARG A 10 -0.835 -12.443 -2.891 1.00 24.53 H new ATOM 0 HD2 ARG A 10 -2.019 -14.580 -2.900 1.00 0.31 H new ATOM 0 HD3 ARG A 10 -2.682 -14.266 -1.308 1.00 0.31 H new ATOM 0 HE ARG A 10 -3.298 -12.263 -3.408 1.00 52.23 H new ATOM 0 HH11 ARG A 10 -4.346 -15.125 -1.621 1.00 73.12 H new ATOM 0 HH12 ARG A 10 -6.059 -14.840 -1.945 1.00 73.12 H new ATOM 0 HH21 ARG A 10 -5.502 -11.873 -3.763 1.00 1.23 H new ATOM 0 HH22 ARG A 10 -6.709 -13.009 -3.151 1.00 1.23 H new ATOM 159 N CYS A 11 0.728 -10.155 -0.456 1.00 51.20 N ATOM 160 CA CYS A 11 0.253 -8.967 0.209 1.00 14.32 C ATOM 161 C CYS A 11 -0.395 -8.025 -0.789 1.00 22.20 C ATOM 162 O CYS A 11 0.111 -7.834 -1.890 1.00 75.31 O ATOM 163 CB CYS A 11 1.412 -8.262 0.919 1.00 4.40 C ATOM 164 SG CYS A 11 2.286 -9.293 2.122 1.00 4.12 S ATOM 0 H CYS A 11 1.288 -9.975 -1.289 1.00 51.20 H new ATOM 0 HA CYS A 11 -0.492 -9.258 0.949 1.00 14.32 H new ATOM 0 HB2 CYS A 11 2.124 -7.915 0.170 1.00 4.40 H new ATOM 0 HB3 CYS A 11 1.027 -7.378 1.427 1.00 4.40 H new ATOM 0 HG CYS A 11 2.923 -8.533 2.963 1.00 4.12 H new ATOM 170 N SER A 12 -1.510 -7.451 -0.405 1.00 72.32 N ATOM 171 CA SER A 12 -2.207 -6.504 -1.245 1.00 64.34 C ATOM 172 C SER A 12 -1.775 -5.091 -0.853 1.00 21.22 C ATOM 173 O SER A 12 -1.266 -4.884 0.258 1.00 34.42 O ATOM 174 CB SER A 12 -3.719 -6.678 -1.082 1.00 64.50 C ATOM 175 OG SER A 12 -4.108 -8.023 -1.346 1.00 22.03 O ATOM 0 H SER A 12 -1.959 -7.625 0.494 1.00 72.32 H new ATOM 0 HA SER A 12 -1.960 -6.676 -2.293 1.00 64.34 H new ATOM 0 HB2 SER A 12 -4.014 -6.402 -0.069 1.00 64.50 H new ATOM 0 HB3 SER A 12 -4.242 -6.004 -1.761 1.00 64.50 H new ATOM 0 HG SER A 12 -5.078 -8.111 -1.234 1.00 22.03 H new ATOM 181 N HIS A 13 -1.966 -4.120 -1.737 1.00 32.02 N ATOM 182 CA HIS A 13 -1.494 -2.775 -1.444 1.00 55.42 C ATOM 183 C HIS A 13 -2.499 -1.689 -1.805 1.00 54.41 C ATOM 184 O HIS A 13 -3.400 -1.894 -2.610 1.00 53.10 O ATOM 185 CB HIS A 13 -0.136 -2.493 -2.144 1.00 41.33 C ATOM 186 CG HIS A 13 -0.177 -2.431 -3.666 1.00 23.13 C ATOM 187 ND1 HIS A 13 0.837 -2.909 -4.462 1.00 40.44 N ATOM 188 CD2 HIS A 13 -1.092 -1.904 -4.521 1.00 4.12 C ATOM 189 CE1 HIS A 13 0.547 -2.677 -5.730 1.00 75.24 C ATOM 190 NE2 HIS A 13 -0.615 -2.068 -5.789 1.00 13.54 N ATOM 0 H HIS A 13 -2.431 -4.233 -2.638 1.00 32.02 H new ATOM 0 HA HIS A 13 -1.360 -2.739 -0.363 1.00 55.42 H new ATOM 0 HB2 HIS A 13 0.254 -1.546 -1.771 1.00 41.33 H new ATOM 0 HB3 HIS A 13 0.571 -3.268 -1.849 1.00 41.33 H new ATOM 0 HD2 HIS A 13 -2.028 -1.439 -4.247 1.00 4.12 H new ATOM 0 HE1 HIS A 13 1.163 -2.944 -6.576 1.00 75.24 H new ATOM 0 HE2 HIS A 13 -1.084 -1.767 -6.643 1.00 13.54 H new ATOM 199 N LEU A 14 -2.308 -0.543 -1.189 1.00 53.13 N ATOM 200 CA LEU A 14 -3.055 0.667 -1.481 1.00 63.44 C ATOM 201 C LEU A 14 -2.024 1.783 -1.635 1.00 64.24 C ATOM 202 O LEU A 14 -1.078 1.851 -0.854 1.00 73.30 O ATOM 203 CB LEU A 14 -4.043 0.971 -0.328 1.00 62.31 C ATOM 204 CG LEU A 14 -5.112 2.053 -0.582 1.00 10.24 C ATOM 205 CD1 LEU A 14 -6.251 1.908 0.413 1.00 22.45 C ATOM 206 CD2 LEU A 14 -4.517 3.452 -0.479 1.00 10.32 C ATOM 0 H LEU A 14 -1.613 -0.421 -0.453 1.00 53.13 H new ATOM 0 HA LEU A 14 -3.648 0.566 -2.390 1.00 63.44 H new ATOM 0 HB2 LEU A 14 -4.555 0.044 -0.069 1.00 62.31 H new ATOM 0 HB3 LEU A 14 -3.462 1.269 0.545 1.00 62.31 H new ATOM 0 HG LEU A 14 -5.493 1.915 -1.594 1.00 10.24 H new ATOM 0 HD11 LEU A 14 -7.000 2.677 0.224 1.00 22.45 H new ATOM 0 HD12 LEU A 14 -6.707 0.924 0.304 1.00 22.45 H new ATOM 0 HD13 LEU A 14 -5.865 2.019 1.426 1.00 22.45 H new ATOM 0 HD21 LEU A 14 -5.295 4.193 -0.663 1.00 10.32 H new ATOM 0 HD22 LEU A 14 -4.104 3.599 0.519 1.00 10.32 H new ATOM 0 HD23 LEU A 14 -3.725 3.566 -1.219 1.00 10.32 H new ATOM 218 N LEU A 15 -2.167 2.616 -2.640 1.00 4.05 N ATOM 219 CA LEU A 15 -1.187 3.655 -2.888 1.00 60.34 C ATOM 220 C LEU A 15 -1.830 5.017 -3.084 1.00 72.12 C ATOM 221 O LEU A 15 -2.758 5.176 -3.871 1.00 70.12 O ATOM 222 CB LEU A 15 -0.342 3.299 -4.116 1.00 31.30 C ATOM 223 CG LEU A 15 0.654 4.368 -4.580 1.00 15.43 C ATOM 224 CD1 LEU A 15 1.652 4.684 -3.489 1.00 62.24 C ATOM 225 CD2 LEU A 15 1.372 3.922 -5.837 1.00 14.22 C ATOM 0 H LEU A 15 -2.947 2.597 -3.297 1.00 4.05 H new ATOM 0 HA LEU A 15 -0.550 3.716 -2.006 1.00 60.34 H new ATOM 0 HB2 LEU A 15 0.211 2.385 -3.899 1.00 31.30 H new ATOM 0 HB3 LEU A 15 -1.016 3.075 -4.943 1.00 31.30 H new ATOM 0 HG LEU A 15 0.093 5.275 -4.805 1.00 15.43 H new ATOM 0 HD11 LEU A 15 2.348 5.445 -3.842 1.00 62.24 H new ATOM 0 HD12 LEU A 15 1.125 5.054 -2.610 1.00 62.24 H new ATOM 0 HD13 LEU A 15 2.204 3.781 -3.228 1.00 62.24 H new ATOM 0 HD21 LEU A 15 2.074 4.695 -6.149 1.00 14.22 H new ATOM 0 HD22 LEU A 15 1.915 2.998 -5.638 1.00 14.22 H new ATOM 0 HD23 LEU A 15 0.644 3.751 -6.630 1.00 14.22 H new ATOM 237 N VAL A 16 -1.328 5.993 -2.360 1.00 60.24 N ATOM 238 CA VAL A 16 -1.782 7.355 -2.503 1.00 1.33 C ATOM 239 C VAL A 16 -0.630 8.231 -2.988 1.00 14.52 C ATOM 240 O VAL A 16 0.406 8.352 -2.316 1.00 33.14 O ATOM 241 CB VAL A 16 -2.354 7.916 -1.180 1.00 31.33 C ATOM 242 CG1 VAL A 16 -2.773 9.371 -1.344 1.00 20.54 C ATOM 243 CG2 VAL A 16 -3.535 7.079 -0.716 1.00 22.53 C ATOM 0 H VAL A 16 -0.598 5.864 -1.660 1.00 60.24 H new ATOM 0 HA VAL A 16 -2.588 7.364 -3.237 1.00 1.33 H new ATOM 0 HB VAL A 16 -1.570 7.868 -0.424 1.00 31.33 H new ATOM 0 HG11 VAL A 16 -3.172 9.743 -0.400 1.00 20.54 H new ATOM 0 HG12 VAL A 16 -1.908 9.968 -1.633 1.00 20.54 H new ATOM 0 HG13 VAL A 16 -3.539 9.444 -2.116 1.00 20.54 H new ATOM 0 HG21 VAL A 16 -3.926 7.487 0.216 1.00 22.53 H new ATOM 0 HG22 VAL A 16 -4.316 7.098 -1.476 1.00 22.53 H new ATOM 0 HG23 VAL A 16 -3.211 6.051 -0.555 1.00 22.53 H new ATOM 253 N LYS A 17 -0.798 8.806 -4.168 1.00 72.15 N ATOM 254 CA LYS A 17 0.213 9.668 -4.760 1.00 3.23 C ATOM 255 C LYS A 17 0.306 10.993 -4.006 1.00 60.24 C ATOM 256 O LYS A 17 -0.684 11.483 -3.464 1.00 21.41 O ATOM 257 CB LYS A 17 -0.123 9.948 -6.229 1.00 45.02 C ATOM 258 CG LYS A 17 0.013 8.756 -7.172 1.00 14.23 C ATOM 259 CD LYS A 17 1.471 8.390 -7.404 1.00 75.13 C ATOM 260 CE LYS A 17 1.650 7.590 -8.691 1.00 24.01 C ATOM 261 NZ LYS A 17 0.959 6.277 -8.649 1.00 2.13 N ATOM 0 H LYS A 17 -1.634 8.689 -4.740 1.00 72.15 H new ATOM 0 HA LYS A 17 1.172 9.154 -4.695 1.00 3.23 H new ATOM 0 HB2 LYS A 17 -1.146 10.319 -6.285 1.00 45.02 H new ATOM 0 HB3 LYS A 17 0.526 10.748 -6.586 1.00 45.02 H new ATOM 0 HG2 LYS A 17 -0.516 7.899 -6.755 1.00 14.23 H new ATOM 0 HG3 LYS A 17 -0.460 8.990 -8.126 1.00 14.23 H new ATOM 0 HD2 LYS A 17 2.072 9.298 -7.453 1.00 75.13 H new ATOM 0 HD3 LYS A 17 1.840 7.809 -6.559 1.00 75.13 H new ATOM 0 HE2 LYS A 17 1.268 8.170 -9.531 1.00 24.01 H new ATOM 0 HE3 LYS A 17 2.713 7.431 -8.870 1.00 24.01 H new ATOM 0 HZ1 LYS A 17 0.982 5.842 -9.593 1.00 2.13 H new ATOM 0 HZ2 LYS A 17 1.439 5.654 -7.969 1.00 2.13 H new ATOM 0 HZ3 LYS A 17 -0.029 6.414 -8.355 1.00 2.13 H new ATOM 275 N HIS A 18 1.495 11.564 -3.977 1.00 55.42 N ATOM 276 CA HIS A 18 1.708 12.854 -3.337 1.00 44.33 C ATOM 277 C HIS A 18 2.492 13.778 -4.254 1.00 35.04 C ATOM 278 O HIS A 18 3.097 13.320 -5.224 1.00 51.12 O ATOM 279 CB HIS A 18 2.382 12.723 -1.951 1.00 55.42 C ATOM 280 CG HIS A 18 3.591 11.831 -1.903 1.00 5.11 C ATOM 281 ND1 HIS A 18 4.828 12.200 -2.371 1.00 71.21 N ATOM 282 CD2 HIS A 18 3.738 10.578 -1.421 1.00 10.11 C ATOM 283 CE1 HIS A 18 5.681 11.213 -2.182 1.00 40.10 C ATOM 284 NE2 HIS A 18 5.048 10.218 -1.606 1.00 14.32 N ATOM 0 H HIS A 18 2.333 11.155 -4.390 1.00 55.42 H new ATOM 0 HA HIS A 18 0.728 13.296 -3.158 1.00 44.33 H new ATOM 0 HB2 HIS A 18 2.672 13.717 -1.611 1.00 55.42 H new ATOM 0 HB3 HIS A 18 1.645 12.346 -1.242 1.00 55.42 H new ATOM 0 HD2 HIS A 18 2.966 9.971 -0.972 1.00 10.11 H new ATOM 0 HE1 HIS A 18 6.726 11.222 -2.455 1.00 40.10 H new ATOM 0 HE2 HIS A 18 5.462 9.325 -1.340 1.00 14.32 H new ATOM 293 N SER A 19 2.468 15.069 -3.934 1.00 61.13 N ATOM 294 CA SER A 19 3.091 16.122 -4.744 1.00 41.53 C ATOM 295 C SER A 19 4.500 15.762 -5.239 1.00 12.43 C ATOM 296 O SER A 19 4.727 15.631 -6.450 1.00 44.31 O ATOM 297 CB SER A 19 3.115 17.421 -3.949 1.00 3.14 C ATOM 298 OG SER A 19 3.534 17.186 -2.612 1.00 74.12 O ATOM 0 H SER A 19 2.010 15.422 -3.094 1.00 61.13 H new ATOM 0 HA SER A 19 2.484 16.240 -5.642 1.00 41.53 H new ATOM 0 HB2 SER A 19 3.789 18.132 -4.426 1.00 3.14 H new ATOM 0 HB3 SER A 19 2.123 17.872 -3.950 1.00 3.14 H new ATOM 0 HG SER A 19 3.544 18.033 -2.119 1.00 74.12 H new ATOM 304 N GLN A 20 5.436 15.607 -4.319 1.00 63.11 N ATOM 305 CA GLN A 20 6.801 15.274 -4.693 1.00 31.44 C ATOM 306 C GLN A 20 6.934 13.775 -4.904 1.00 2.14 C ATOM 307 O GLN A 20 7.228 13.028 -3.973 1.00 34.21 O ATOM 308 CB GLN A 20 7.797 15.754 -3.635 1.00 71.11 C ATOM 309 CG GLN A 20 7.666 17.228 -3.274 1.00 31.33 C ATOM 310 CD GLN A 20 7.703 18.142 -4.484 1.00 51.22 C ATOM 311 OE1 GLN A 20 6.663 18.484 -5.049 1.00 11.10 O ATOM 312 NE2 GLN A 20 8.891 18.534 -4.894 1.00 24.15 N ATOM 0 H GLN A 20 5.279 15.705 -3.316 1.00 63.11 H new ATOM 0 HA GLN A 20 7.032 15.786 -5.627 1.00 31.44 H new ATOM 0 HB2 GLN A 20 7.666 15.158 -2.732 1.00 71.11 H new ATOM 0 HB3 GLN A 20 8.809 15.569 -3.995 1.00 71.11 H new ATOM 0 HG2 GLN A 20 6.730 17.383 -2.738 1.00 31.33 H new ATOM 0 HG3 GLN A 20 8.472 17.503 -2.594 1.00 31.33 H new ATOM 0 HE21 GLN A 20 9.728 18.228 -4.398 1.00 24.15 H new ATOM 0 HE22 GLN A 20 8.974 19.144 -5.708 1.00 24.15 H new ATOM 321 N SER A 21 6.686 13.340 -6.120 1.00 14.31 N ATOM 322 CA SER A 21 6.730 11.932 -6.451 1.00 23.45 C ATOM 323 C SER A 21 7.549 11.698 -7.715 1.00 63.14 C ATOM 324 O SER A 21 7.915 12.647 -8.417 1.00 33.13 O ATOM 325 CB SER A 21 5.295 11.403 -6.640 1.00 72.43 C ATOM 326 OG SER A 21 5.282 10.037 -7.034 1.00 11.44 O ATOM 0 H SER A 21 6.449 13.948 -6.904 1.00 14.31 H new ATOM 0 HA SER A 21 7.210 11.394 -5.634 1.00 23.45 H new ATOM 0 HB2 SER A 21 4.740 11.518 -5.709 1.00 72.43 H new ATOM 0 HB3 SER A 21 4.783 12.003 -7.392 1.00 72.43 H new ATOM 0 HG SER A 21 4.719 9.524 -6.418 1.00 11.44 H new ATOM 332 N ARG A 22 7.845 10.433 -7.989 1.00 75.42 N ATOM 333 CA ARG A 22 8.556 10.043 -9.194 1.00 45.52 C ATOM 334 C ARG A 22 7.625 10.189 -10.389 1.00 1.54 C ATOM 335 O ARG A 22 8.059 10.409 -11.521 1.00 64.31 O ATOM 336 CB ARG A 22 9.035 8.592 -9.069 1.00 45.31 C ATOM 337 CG ARG A 22 9.828 8.088 -10.266 1.00 21.40 C ATOM 338 CD ARG A 22 10.310 6.665 -10.046 1.00 70.01 C ATOM 339 NE ARG A 22 11.136 6.555 -8.842 1.00 70.34 N ATOM 340 CZ ARG A 22 11.840 5.477 -8.502 1.00 15.51 C ATOM 341 NH1 ARG A 22 11.842 4.403 -9.284 1.00 33.24 N ATOM 342 NH2 ARG A 22 12.545 5.476 -7.378 1.00 0.14 N ATOM 0 H ARG A 22 7.598 9.652 -7.381 1.00 75.42 H new ATOM 0 HA ARG A 22 9.426 10.685 -9.333 1.00 45.52 H new ATOM 0 HB2 ARG A 22 9.652 8.501 -8.175 1.00 45.31 H new ATOM 0 HB3 ARG A 22 8.168 7.947 -8.925 1.00 45.31 H new ATOM 0 HG2 ARG A 22 9.207 8.130 -11.161 1.00 21.40 H new ATOM 0 HG3 ARG A 22 10.683 8.741 -10.440 1.00 21.40 H new ATOM 0 HD2 ARG A 22 9.452 5.999 -9.961 1.00 70.01 H new ATOM 0 HD3 ARG A 22 10.884 6.337 -10.913 1.00 70.01 H new ATOM 0 HE ARG A 22 11.175 7.362 -8.219 1.00 70.34 H new ATOM 0 HH11 ARG A 22 11.303 4.401 -10.150 1.00 33.24 H new ATOM 0 HH12 ARG A 22 12.383 3.580 -9.019 1.00 33.24 H new ATOM 0 HH21 ARG A 22 12.547 6.300 -6.776 1.00 0.14 H new ATOM 0 HH22 ARG A 22 13.085 4.651 -7.115 1.00 0.14 H new ATOM 356 N ARG A 23 6.341 10.071 -10.116 1.00 52.32 N ATOM 357 CA ARG A 23 5.315 10.227 -11.120 1.00 2.02 C ATOM 358 C ARG A 23 4.088 10.875 -10.486 1.00 62.00 C ATOM 359 O ARG A 23 3.192 10.189 -9.989 1.00 42.03 O ATOM 360 CB ARG A 23 4.965 8.870 -11.760 1.00 52.50 C ATOM 361 CG ARG A 23 3.879 8.934 -12.834 1.00 2.00 C ATOM 362 CD ARG A 23 4.184 9.991 -13.890 1.00 52.52 C ATOM 363 NE ARG A 23 5.486 9.789 -14.528 1.00 12.14 N ATOM 364 CZ ARG A 23 6.187 10.761 -15.120 1.00 41.51 C ATOM 365 NH1 ARG A 23 5.707 11.999 -15.161 1.00 31.31 N ATOM 366 NH2 ARG A 23 7.363 10.493 -15.672 1.00 73.21 N ATOM 0 H ARG A 23 5.981 9.863 -9.185 1.00 52.32 H new ATOM 0 HA ARG A 23 5.683 10.873 -11.917 1.00 2.02 H new ATOM 0 HB2 ARG A 23 5.868 8.447 -12.200 1.00 52.50 H new ATOM 0 HB3 ARG A 23 4.642 8.186 -10.976 1.00 52.50 H new ATOM 0 HG2 ARG A 23 3.784 7.959 -13.313 1.00 2.00 H new ATOM 0 HG3 ARG A 23 2.919 9.154 -12.367 1.00 2.00 H new ATOM 0 HD2 ARG A 23 3.404 9.975 -14.651 1.00 52.52 H new ATOM 0 HD3 ARG A 23 4.159 10.978 -13.429 1.00 52.52 H new ATOM 0 HE ARG A 23 5.882 8.849 -14.520 1.00 12.14 H new ATOM 0 HH11 ARG A 23 4.802 12.209 -14.740 1.00 31.31 H new ATOM 0 HH12 ARG A 23 6.244 12.739 -15.613 1.00 31.31 H new ATOM 0 HH21 ARG A 23 7.734 9.543 -15.645 1.00 73.21 H new ATOM 0 HH22 ARG A 23 7.896 11.237 -16.123 1.00 73.21 H new ATOM 380 N PRO A 24 4.064 12.216 -10.447 1.00 53.23 N ATOM 381 CA PRO A 24 2.972 12.971 -9.850 1.00 52.24 C ATOM 382 C PRO A 24 1.733 13.001 -10.739 1.00 55.24 C ATOM 383 O PRO A 24 1.436 14.015 -11.382 1.00 33.11 O ATOM 384 CB PRO A 24 3.548 14.393 -9.677 1.00 13.45 C ATOM 385 CG PRO A 24 4.990 14.296 -10.076 1.00 62.14 C ATOM 386 CD PRO A 24 5.100 13.104 -10.974 1.00 34.44 C ATOM 0 HA PRO A 24 2.641 12.522 -8.913 1.00 52.24 H new ATOM 0 HB2 PRO A 24 3.016 15.110 -10.302 1.00 13.45 H new ATOM 0 HB3 PRO A 24 3.449 14.733 -8.646 1.00 13.45 H new ATOM 0 HG2 PRO A 24 5.312 15.201 -10.591 1.00 62.14 H new ATOM 0 HG3 PRO A 24 5.629 14.183 -9.200 1.00 62.14 H new ATOM 0 HD2 PRO A 24 4.920 13.364 -12.017 1.00 34.44 H new ATOM 0 HD3 PRO A 24 6.089 12.648 -10.925 1.00 34.44 H new ATOM 394 N SER A 25 1.026 11.888 -10.781 1.00 13.44 N ATOM 395 CA SER A 25 -0.183 11.782 -11.561 1.00 73.53 C ATOM 396 C SER A 25 -1.127 10.737 -10.966 1.00 2.13 C ATOM 397 O SER A 25 -0.822 9.539 -10.955 1.00 14.51 O ATOM 398 CB SER A 25 0.156 11.435 -13.013 1.00 15.43 C ATOM 399 OG SER A 25 0.996 10.295 -13.083 1.00 51.11 O ATOM 0 H SER A 25 1.276 11.038 -10.276 1.00 13.44 H new ATOM 0 HA SER A 25 -0.692 12.746 -11.540 1.00 73.53 H new ATOM 0 HB2 SER A 25 -0.763 11.248 -13.569 1.00 15.43 H new ATOM 0 HB3 SER A 25 0.649 12.284 -13.487 1.00 15.43 H new ATOM 0 HG SER A 25 0.720 9.644 -12.405 1.00 51.11 H new ATOM 405 N SER A 26 -2.246 11.195 -10.452 1.00 65.52 N ATOM 406 CA SER A 26 -3.256 10.311 -9.907 1.00 40.50 C ATOM 407 C SER A 26 -4.384 10.146 -10.922 1.00 33.34 C ATOM 408 O SER A 26 -4.466 10.911 -11.893 1.00 31.42 O ATOM 409 CB SER A 26 -3.805 10.889 -8.598 1.00 51.32 C ATOM 410 OG SER A 26 -2.776 11.050 -7.626 1.00 4.22 O ATOM 0 H SER A 26 -2.483 12.186 -10.399 1.00 65.52 H new ATOM 0 HA SER A 26 -2.813 9.337 -9.700 1.00 40.50 H new ATOM 0 HB2 SER A 26 -4.276 11.852 -8.794 1.00 51.32 H new ATOM 0 HB3 SER A 26 -4.579 10.230 -8.204 1.00 51.32 H new ATOM 0 HG SER A 26 -2.863 11.928 -7.200 1.00 4.22 H new ATOM 415 N TRP A 27 -5.242 9.154 -10.725 1.00 4.10 N ATOM 416 CA TRP A 27 -6.363 8.967 -11.631 1.00 23.00 C ATOM 417 C TRP A 27 -7.624 9.553 -11.023 1.00 1.43 C ATOM 418 O TRP A 27 -8.590 9.850 -11.728 1.00 60.21 O ATOM 419 CB TRP A 27 -6.559 7.486 -12.028 1.00 4.12 C ATOM 420 CG TRP A 27 -6.984 6.573 -10.918 1.00 0.01 C ATOM 421 CD1 TRP A 27 -6.173 5.894 -10.064 1.00 42.10 C ATOM 422 CD2 TRP A 27 -8.328 6.213 -10.566 1.00 60.44 C ATOM 423 NE1 TRP A 27 -6.926 5.151 -9.193 1.00 13.51 N ATOM 424 CE2 TRP A 27 -8.249 5.327 -9.478 1.00 43.33 C ATOM 425 CE3 TRP A 27 -9.590 6.561 -11.059 1.00 23.45 C ATOM 426 CZ2 TRP A 27 -9.378 4.782 -8.874 1.00 62.43 C ATOM 427 CZ3 TRP A 27 -10.711 6.019 -10.460 1.00 32.42 C ATOM 428 CH2 TRP A 27 -10.597 5.138 -9.377 1.00 2.32 C ATOM 0 H TRP A 27 -5.185 8.480 -9.962 1.00 4.10 H new ATOM 0 HA TRP A 27 -6.139 9.501 -12.555 1.00 23.00 H new ATOM 0 HB2 TRP A 27 -7.304 7.436 -12.822 1.00 4.12 H new ATOM 0 HB3 TRP A 27 -5.624 7.112 -12.445 1.00 4.12 H new ATOM 0 HD1 TRP A 27 -5.094 5.934 -10.071 1.00 42.10 H new ATOM 0 HE1 TRP A 27 -6.556 4.560 -8.449 1.00 13.51 H new ATOM 0 HE3 TRP A 27 -9.686 7.241 -11.893 1.00 23.45 H new ATOM 0 HZ2 TRP A 27 -9.294 4.103 -8.039 1.00 62.43 H new ATOM 0 HZ3 TRP A 27 -11.691 6.279 -10.833 1.00 32.42 H new ATOM 0 HH2 TRP A 27 -11.492 4.731 -8.930 1.00 2.32 H new ATOM 439 N ARG A 28 -7.609 9.715 -9.709 1.00 13.33 N ATOM 440 CA ARG A 28 -8.717 10.338 -9.008 1.00 72.41 C ATOM 441 C ARG A 28 -8.525 11.842 -8.975 1.00 23.50 C ATOM 442 O ARG A 28 -9.460 12.605 -9.207 1.00 54.34 O ATOM 443 CB ARG A 28 -8.825 9.805 -7.589 1.00 41.55 C ATOM 444 CG ARG A 28 -9.190 8.340 -7.507 1.00 10.23 C ATOM 445 CD ARG A 28 -9.177 7.863 -6.074 1.00 42.24 C ATOM 446 NE ARG A 28 -7.847 7.972 -5.482 1.00 5.21 N ATOM 447 CZ ARG A 28 -7.609 8.148 -4.185 1.00 21.22 C ATOM 448 NH1 ARG A 28 -8.610 8.303 -3.330 1.00 60.23 N ATOM 449 NH2 ARG A 28 -6.361 8.192 -3.751 1.00 71.53 N ATOM 0 H ARG A 28 -6.839 9.422 -9.107 1.00 13.33 H new ATOM 0 HA ARG A 28 -9.638 10.100 -9.540 1.00 72.41 H new ATOM 0 HB2 ARG A 28 -7.874 9.961 -7.080 1.00 41.55 H new ATOM 0 HB3 ARG A 28 -9.573 10.386 -7.050 1.00 41.55 H new ATOM 0 HG2 ARG A 28 -10.178 8.182 -7.938 1.00 10.23 H new ATOM 0 HG3 ARG A 28 -8.487 7.752 -8.097 1.00 10.23 H new ATOM 0 HD2 ARG A 28 -9.885 8.449 -5.489 1.00 42.24 H new ATOM 0 HD3 ARG A 28 -9.510 6.826 -6.032 1.00 42.24 H new ATOM 0 HE ARG A 28 -7.043 7.909 -6.107 1.00 5.21 H new ATOM 0 HH11 ARG A 28 -9.573 8.288 -3.665 1.00 60.23 H new ATOM 0 HH12 ARG A 28 -8.417 8.437 -2.338 1.00 60.23 H new ATOM 0 HH21 ARG A 28 -5.588 8.091 -4.409 1.00 71.53 H new ATOM 0 HH22 ARG A 28 -6.171 8.327 -2.758 1.00 71.53 H new ATOM 463 N GLN A 29 -7.306 12.259 -8.688 1.00 14.30 N ATOM 464 CA GLN A 29 -6.970 13.666 -8.638 1.00 71.21 C ATOM 465 C GLN A 29 -6.067 14.018 -9.812 1.00 2.43 C ATOM 466 O GLN A 29 -5.064 13.345 -10.054 1.00 42.12 O ATOM 467 CB GLN A 29 -6.287 14.010 -7.301 1.00 24.10 C ATOM 468 CG GLN A 29 -5.946 15.486 -7.140 1.00 73.02 C ATOM 469 CD GLN A 29 -5.466 15.835 -5.739 1.00 65.35 C ATOM 470 OE1 GLN A 29 -4.272 15.783 -5.439 1.00 32.21 O ATOM 471 NE2 GLN A 29 -6.392 16.202 -4.877 1.00 64.04 N ATOM 0 H GLN A 29 -6.526 11.634 -8.484 1.00 14.30 H new ATOM 0 HA GLN A 29 -7.885 14.254 -8.709 1.00 71.21 H new ATOM 0 HB2 GLN A 29 -6.941 13.707 -6.483 1.00 24.10 H new ATOM 0 HB3 GLN A 29 -5.372 13.425 -7.211 1.00 24.10 H new ATOM 0 HG2 GLN A 29 -5.174 15.756 -7.861 1.00 73.02 H new ATOM 0 HG3 GLN A 29 -6.826 16.085 -7.377 1.00 73.02 H new ATOM 0 HE21 GLN A 29 -7.371 16.233 -5.162 1.00 64.04 H new ATOM 0 HE22 GLN A 29 -6.130 16.455 -3.924 1.00 64.04 H new ATOM 480 N GLU A 30 -6.436 15.051 -10.550 1.00 51.32 N ATOM 481 CA GLU A 30 -5.660 15.474 -11.700 1.00 71.55 C ATOM 482 C GLU A 30 -4.363 16.130 -11.250 1.00 53.44 C ATOM 483 O GLU A 30 -3.276 15.572 -11.427 1.00 3.24 O ATOM 484 CB GLU A 30 -6.467 16.439 -12.569 1.00 24.34 C ATOM 485 CG GLU A 30 -5.756 16.856 -13.844 1.00 33.11 C ATOM 486 CD GLU A 30 -5.465 15.683 -14.749 1.00 3.43 C ATOM 487 OE1 GLU A 30 -4.423 15.027 -14.563 1.00 42.15 O ATOM 488 OE2 GLU A 30 -6.283 15.404 -15.649 1.00 4.24 O ATOM 0 H GLU A 30 -7.269 15.612 -10.372 1.00 51.32 H new ATOM 0 HA GLU A 30 -5.419 14.593 -12.295 1.00 71.55 H new ATOM 0 HB2 GLU A 30 -7.416 15.971 -12.830 1.00 24.34 H new ATOM 0 HB3 GLU A 30 -6.700 17.330 -11.986 1.00 24.34 H new ATOM 0 HG2 GLU A 30 -6.370 17.581 -14.379 1.00 33.11 H new ATOM 0 HG3 GLU A 30 -4.821 17.356 -13.589 1.00 33.11 H new ATOM 495 N LYS A 31 -4.477 17.305 -10.662 1.00 64.11 N ATOM 496 CA LYS A 31 -3.320 18.010 -10.166 1.00 10.25 C ATOM 497 C LYS A 31 -3.109 17.674 -8.700 1.00 10.31 C ATOM 498 O LYS A 31 -3.906 18.056 -7.839 1.00 70.10 O ATOM 499 CB LYS A 31 -3.459 19.531 -10.374 1.00 32.21 C ATOM 500 CG LYS A 31 -4.724 20.143 -9.784 1.00 34.02 C ATOM 501 CD LYS A 31 -4.702 21.656 -9.892 1.00 62.41 C ATOM 502 CE LYS A 31 -5.925 22.282 -9.244 1.00 31.23 C ATOM 503 NZ LYS A 31 -5.867 23.765 -9.272 1.00 23.45 N ATOM 0 H LYS A 31 -5.363 17.789 -10.518 1.00 64.11 H new ATOM 0 HA LYS A 31 -2.445 17.688 -10.731 1.00 10.25 H new ATOM 0 HB2 LYS A 31 -2.593 20.025 -9.933 1.00 32.21 H new ATOM 0 HB3 LYS A 31 -3.435 19.741 -11.443 1.00 32.21 H new ATOM 0 HG2 LYS A 31 -5.598 19.751 -10.304 1.00 34.02 H new ATOM 0 HG3 LYS A 31 -4.819 19.852 -8.738 1.00 34.02 H new ATOM 0 HD2 LYS A 31 -3.800 22.042 -9.417 1.00 62.41 H new ATOM 0 HD3 LYS A 31 -4.658 21.946 -10.942 1.00 62.41 H new ATOM 0 HE2 LYS A 31 -6.823 21.944 -9.761 1.00 31.23 H new ATOM 0 HE3 LYS A 31 -6.004 21.941 -8.212 1.00 31.23 H new ATOM 0 HZ1 LYS A 31 -6.719 24.154 -8.821 1.00 23.45 H new ATOM 0 HZ2 LYS A 31 -5.024 24.089 -8.757 1.00 23.45 H new ATOM 0 HZ3 LYS A 31 -5.818 24.092 -10.258 1.00 23.45 H new ATOM 517 N ILE A 32 -2.053 16.940 -8.421 1.00 53.55 N ATOM 518 CA ILE A 32 -1.774 16.514 -7.070 1.00 13.32 C ATOM 519 C ILE A 32 -1.328 17.676 -6.200 1.00 50.03 C ATOM 520 O ILE A 32 -0.189 18.146 -6.292 1.00 62.43 O ATOM 521 CB ILE A 32 -0.716 15.397 -7.023 1.00 44.21 C ATOM 522 CG1 ILE A 32 -1.156 14.217 -7.887 1.00 15.03 C ATOM 523 CG2 ILE A 32 -0.494 14.945 -5.586 1.00 10.43 C ATOM 524 CD1 ILE A 32 -0.174 13.072 -7.886 1.00 42.24 C ATOM 0 H ILE A 32 -1.374 16.626 -9.114 1.00 53.55 H new ATOM 0 HA ILE A 32 -2.709 16.117 -6.676 1.00 13.32 H new ATOM 0 HB ILE A 32 0.223 15.786 -7.416 1.00 44.21 H new ATOM 0 HG12 ILE A 32 -2.122 13.857 -7.532 1.00 15.03 H new ATOM 0 HG13 ILE A 32 -1.300 14.561 -8.911 1.00 15.03 H new ATOM 0 HG21 ILE A 32 0.256 14.155 -5.565 1.00 10.43 H new ATOM 0 HG22 ILE A 32 -0.149 15.789 -4.988 1.00 10.43 H new ATOM 0 HG23 ILE A 32 -1.430 14.568 -5.175 1.00 10.43 H new ATOM 0 HD11 ILE A 32 -0.551 12.269 -8.520 1.00 42.24 H new ATOM 0 HD12 ILE A 32 0.787 13.416 -8.269 1.00 42.24 H new ATOM 0 HD13 ILE A 32 -0.048 12.702 -6.869 1.00 42.24 H new ATOM 536 N THR A 33 -2.238 18.154 -5.387 1.00 44.03 N ATOM 537 CA THR A 33 -1.954 19.219 -4.458 1.00 62.42 C ATOM 538 C THR A 33 -1.661 18.639 -3.083 1.00 51.34 C ATOM 539 O THR A 33 -1.017 19.272 -2.246 1.00 44.22 O ATOM 540 CB THR A 33 -3.141 20.192 -4.371 1.00 24.13 C ATOM 541 OG1 THR A 33 -4.370 19.444 -4.320 1.00 20.21 O ATOM 542 CG2 THR A 33 -3.163 21.125 -5.575 1.00 34.21 C ATOM 0 H THR A 33 -3.199 17.814 -5.351 1.00 44.03 H new ATOM 0 HA THR A 33 -1.081 19.767 -4.813 1.00 62.42 H new ATOM 0 HB THR A 33 -3.034 20.793 -3.468 1.00 24.13 H new ATOM 0 HG1 THR A 33 -5.128 20.063 -4.263 1.00 20.21 H new ATOM 0 HG21 THR A 33 -4.011 21.805 -5.493 1.00 34.21 H new ATOM 0 HG22 THR A 33 -2.238 21.701 -5.606 1.00 34.21 H new ATOM 0 HG23 THR A 33 -3.256 20.538 -6.489 1.00 34.21 H new ATOM 550 N ARG A 34 -2.131 17.416 -2.872 1.00 10.33 N ATOM 551 CA ARG A 34 -1.942 16.718 -1.614 1.00 65.11 C ATOM 552 C ARG A 34 -0.474 16.331 -1.417 1.00 2.22 C ATOM 553 O ARG A 34 0.094 15.556 -2.194 1.00 75.43 O ATOM 554 CB ARG A 34 -2.852 15.473 -1.551 1.00 54.31 C ATOM 555 CG ARG A 34 -2.702 14.535 -2.744 1.00 60.31 C ATOM 556 CD ARG A 34 -3.681 13.372 -2.688 1.00 55.43 C ATOM 557 NE ARG A 34 -3.536 12.491 -3.853 1.00 44.21 N ATOM 558 CZ ARG A 34 -4.356 11.480 -4.156 1.00 21.21 C ATOM 559 NH1 ARG A 34 -5.404 11.210 -3.380 1.00 23.54 N ATOM 560 NH2 ARG A 34 -4.134 10.749 -5.248 1.00 45.05 N ATOM 0 H ARG A 34 -2.652 16.884 -3.569 1.00 10.33 H new ATOM 0 HA ARG A 34 -2.220 17.391 -0.803 1.00 65.11 H new ATOM 0 HB2 ARG A 34 -2.632 14.921 -0.637 1.00 54.31 H new ATOM 0 HB3 ARG A 34 -3.891 15.797 -1.485 1.00 54.31 H new ATOM 0 HG2 ARG A 34 -2.858 15.095 -3.666 1.00 60.31 H new ATOM 0 HG3 ARG A 34 -1.683 14.149 -2.774 1.00 60.31 H new ATOM 0 HD2 ARG A 34 -3.516 12.800 -1.775 1.00 55.43 H new ATOM 0 HD3 ARG A 34 -4.701 13.755 -2.645 1.00 55.43 H new ATOM 0 HE ARG A 34 -2.749 12.663 -4.479 1.00 44.21 H new ATOM 0 HH11 ARG A 34 -5.584 11.776 -2.551 1.00 23.54 H new ATOM 0 HH12 ARG A 34 -6.027 10.437 -3.615 1.00 23.54 H new ATOM 0 HH21 ARG A 34 -3.339 10.961 -5.851 1.00 45.05 H new ATOM 0 HH22 ARG A 34 -4.759 9.977 -5.481 1.00 45.05 H new ATOM 574 N THR A 35 0.139 16.890 -0.396 1.00 40.15 N ATOM 575 CA THR A 35 1.521 16.587 -0.087 1.00 21.11 C ATOM 576 C THR A 35 1.613 15.278 0.705 1.00 30.33 C ATOM 577 O THR A 35 0.588 14.671 1.035 1.00 14.25 O ATOM 578 CB THR A 35 2.198 17.748 0.705 1.00 61.33 C ATOM 579 OG1 THR A 35 3.578 17.453 0.949 1.00 12.21 O ATOM 580 CG2 THR A 35 1.498 17.991 2.030 1.00 31.34 C ATOM 0 H THR A 35 -0.299 17.559 0.237 1.00 40.15 H new ATOM 0 HA THR A 35 2.056 16.471 -1.030 1.00 21.11 H new ATOM 0 HB THR A 35 2.120 18.648 0.095 1.00 61.33 H new ATOM 0 HG1 THR A 35 3.988 18.192 1.445 1.00 12.21 H new ATOM 0 HG21 THR A 35 1.993 18.806 2.559 1.00 31.34 H new ATOM 0 HG22 THR A 35 0.456 18.256 1.848 1.00 31.34 H new ATOM 0 HG23 THR A 35 1.542 17.086 2.636 1.00 31.34 H new ATOM 588 N LYS A 36 2.836 14.852 1.001 1.00 0.22 N ATOM 589 CA LYS A 36 3.089 13.624 1.751 1.00 22.35 C ATOM 590 C LYS A 36 2.305 13.615 3.060 1.00 53.20 C ATOM 591 O LYS A 36 1.666 12.624 3.412 1.00 2.54 O ATOM 592 CB LYS A 36 4.588 13.505 2.056 1.00 2.43 C ATOM 593 CG LYS A 36 4.962 12.278 2.878 1.00 44.43 C ATOM 594 CD LYS A 36 6.373 12.393 3.448 1.00 11.34 C ATOM 595 CE LYS A 36 7.425 12.493 2.353 1.00 2.33 C ATOM 596 NZ LYS A 36 8.796 12.623 2.911 1.00 3.34 N ATOM 0 H LYS A 36 3.684 15.349 0.727 1.00 0.22 H new ATOM 0 HA LYS A 36 2.765 12.778 1.144 1.00 22.35 H new ATOM 0 HB2 LYS A 36 5.138 13.480 1.115 1.00 2.43 H new ATOM 0 HB3 LYS A 36 4.911 14.399 2.590 1.00 2.43 H new ATOM 0 HG2 LYS A 36 4.249 12.154 3.693 1.00 44.43 H new ATOM 0 HG3 LYS A 36 4.892 11.387 2.255 1.00 44.43 H new ATOM 0 HD2 LYS A 36 6.434 13.272 4.090 1.00 11.34 H new ATOM 0 HD3 LYS A 36 6.583 11.526 4.074 1.00 11.34 H new ATOM 0 HE2 LYS A 36 7.374 11.608 1.719 1.00 2.33 H new ATOM 0 HE3 LYS A 36 7.208 13.353 1.719 1.00 2.33 H new ATOM 0 HZ1 LYS A 36 9.483 12.688 2.133 1.00 3.34 H new ATOM 0 HZ2 LYS A 36 8.853 13.481 3.496 1.00 3.34 H new ATOM 0 HZ3 LYS A 36 9.013 11.791 3.496 1.00 3.34 H new ATOM 610 N GLU A 37 2.345 14.739 3.755 1.00 42.11 N ATOM 611 CA GLU A 37 1.698 14.880 5.050 1.00 72.35 C ATOM 612 C GLU A 37 0.180 14.763 4.931 1.00 51.24 C ATOM 613 O GLU A 37 -0.469 14.139 5.769 1.00 64.23 O ATOM 614 CB GLU A 37 2.083 16.217 5.672 1.00 54.14 C ATOM 615 CG GLU A 37 3.583 16.451 5.701 1.00 63.15 C ATOM 616 CD GLU A 37 3.957 17.796 6.270 1.00 13.52 C ATOM 617 OE1 GLU A 37 3.350 18.808 5.867 1.00 53.24 O ATOM 618 OE2 GLU A 37 4.871 17.853 7.119 1.00 62.34 O ATOM 0 H GLU A 37 2.827 15.580 3.438 1.00 42.11 H new ATOM 0 HA GLU A 37 2.039 14.070 5.695 1.00 72.35 H new ATOM 0 HB2 GLU A 37 1.607 17.022 5.112 1.00 54.14 H new ATOM 0 HB3 GLU A 37 1.694 16.263 6.689 1.00 54.14 H new ATOM 0 HG2 GLU A 37 4.056 15.668 6.293 1.00 63.15 H new ATOM 0 HG3 GLU A 37 3.978 16.368 4.688 1.00 63.15 H new ATOM 625 N GLU A 38 -0.374 15.350 3.882 1.00 63.23 N ATOM 626 CA GLU A 38 -1.812 15.313 3.658 1.00 71.15 C ATOM 627 C GLU A 38 -2.254 13.918 3.248 1.00 2.31 C ATOM 628 O GLU A 38 -3.266 13.416 3.723 1.00 32.40 O ATOM 629 CB GLU A 38 -2.210 16.329 2.593 1.00 74.22 C ATOM 630 CG GLU A 38 -1.882 17.760 2.972 1.00 4.04 C ATOM 631 CD GLU A 38 -2.218 18.743 1.881 1.00 22.24 C ATOM 632 OE1 GLU A 38 -1.464 18.822 0.896 1.00 43.34 O ATOM 633 OE2 GLU A 38 -3.240 19.446 2.007 1.00 45.43 O ATOM 0 H GLU A 38 0.151 15.859 3.171 1.00 63.23 H new ATOM 0 HA GLU A 38 -2.312 15.572 4.591 1.00 71.15 H new ATOM 0 HB2 GLU A 38 -1.703 16.083 1.660 1.00 74.22 H new ATOM 0 HB3 GLU A 38 -3.281 16.247 2.406 1.00 74.22 H new ATOM 0 HG2 GLU A 38 -2.429 18.026 3.876 1.00 4.04 H new ATOM 0 HG3 GLU A 38 -0.821 17.835 3.208 1.00 4.04 H new ATOM 640 N ALA A 39 -1.473 13.292 2.375 1.00 35.24 N ATOM 641 CA ALA A 39 -1.764 11.942 1.912 1.00 73.41 C ATOM 642 C ALA A 39 -1.745 10.962 3.079 1.00 54.00 C ATOM 643 O ALA A 39 -2.519 10.005 3.117 1.00 73.34 O ATOM 644 CB ALA A 39 -0.758 11.522 0.849 1.00 22.13 C ATOM 0 H ALA A 39 -0.630 13.701 1.973 1.00 35.24 H new ATOM 0 HA ALA A 39 -2.761 11.933 1.472 1.00 73.41 H new ATOM 0 HB1 ALA A 39 -0.986 10.511 0.511 1.00 22.13 H new ATOM 0 HB2 ALA A 39 -0.814 12.208 0.004 1.00 22.13 H new ATOM 0 HB3 ALA A 39 0.247 11.545 1.270 1.00 22.13 H new ATOM 650 N LEU A 40 -0.865 11.231 4.036 1.00 70.05 N ATOM 651 CA LEU A 40 -0.719 10.409 5.229 1.00 12.12 C ATOM 652 C LEU A 40 -2.030 10.367 6.021 1.00 0.33 C ATOM 653 O LEU A 40 -2.386 9.336 6.598 1.00 60.02 O ATOM 654 CB LEU A 40 0.444 10.962 6.094 1.00 21.12 C ATOM 655 CG LEU A 40 0.891 10.124 7.313 1.00 23.01 C ATOM 656 CD1 LEU A 40 -0.033 10.329 8.504 1.00 30.51 C ATOM 657 CD2 LEU A 40 0.975 8.651 6.949 1.00 1.43 C ATOM 0 H LEU A 40 -0.230 12.029 4.005 1.00 70.05 H new ATOM 0 HA LEU A 40 -0.483 9.386 4.937 1.00 12.12 H new ATOM 0 HB2 LEU A 40 1.309 11.099 5.445 1.00 21.12 H new ATOM 0 HB3 LEU A 40 0.155 11.950 6.453 1.00 21.12 H new ATOM 0 HG LEU A 40 1.884 10.469 7.603 1.00 23.01 H new ATOM 0 HD11 LEU A 40 0.313 9.724 9.342 1.00 30.51 H new ATOM 0 HD12 LEU A 40 -0.030 11.381 8.790 1.00 30.51 H new ATOM 0 HD13 LEU A 40 -1.046 10.030 8.234 1.00 30.51 H new ATOM 0 HD21 LEU A 40 1.291 8.078 7.821 1.00 1.43 H new ATOM 0 HD22 LEU A 40 -0.004 8.301 6.620 1.00 1.43 H new ATOM 0 HD23 LEU A 40 1.698 8.516 6.144 1.00 1.43 H new ATOM 669 N GLU A 41 -2.755 11.482 6.023 1.00 24.12 N ATOM 670 CA GLU A 41 -4.013 11.572 6.749 1.00 61.22 C ATOM 671 C GLU A 41 -5.034 10.593 6.187 1.00 33.35 C ATOM 672 O GLU A 41 -5.773 9.952 6.937 1.00 13.42 O ATOM 673 CB GLU A 41 -4.562 12.992 6.705 1.00 42.44 C ATOM 674 CG GLU A 41 -3.587 14.037 7.211 1.00 11.13 C ATOM 675 CD GLU A 41 -4.223 15.393 7.358 1.00 11.10 C ATOM 676 OE1 GLU A 41 -4.469 16.058 6.333 1.00 53.33 O ATOM 677 OE2 GLU A 41 -4.483 15.806 8.506 1.00 40.43 O ATOM 0 H GLU A 41 -2.491 12.335 5.529 1.00 24.12 H new ATOM 0 HA GLU A 41 -3.820 11.309 7.789 1.00 61.22 H new ATOM 0 HB2 GLU A 41 -4.840 13.233 5.679 1.00 42.44 H new ATOM 0 HB3 GLU A 41 -5.473 13.039 7.301 1.00 42.44 H new ATOM 0 HG2 GLU A 41 -3.187 13.720 8.174 1.00 11.13 H new ATOM 0 HG3 GLU A 41 -2.744 14.107 6.523 1.00 11.13 H new ATOM 684 N LEU A 42 -5.069 10.471 4.864 1.00 42.41 N ATOM 685 CA LEU A 42 -5.965 9.521 4.221 1.00 62.20 C ATOM 686 C LEU A 42 -5.527 8.104 4.551 1.00 35.44 C ATOM 687 O LEU A 42 -6.352 7.242 4.856 1.00 4.32 O ATOM 688 CB LEU A 42 -6.002 9.712 2.691 1.00 44.35 C ATOM 689 CG LEU A 42 -6.686 10.986 2.170 1.00 22.30 C ATOM 690 CD1 LEU A 42 -5.777 12.196 2.298 1.00 41.21 C ATOM 691 CD2 LEU A 42 -7.128 10.801 0.728 1.00 52.54 C ATOM 0 H LEU A 42 -4.492 11.014 4.222 1.00 42.41 H new ATOM 0 HA LEU A 42 -6.971 9.699 4.602 1.00 62.20 H new ATOM 0 HB2 LEU A 42 -4.976 9.701 2.322 1.00 44.35 H new ATOM 0 HB3 LEU A 42 -6.507 8.851 2.253 1.00 44.35 H new ATOM 0 HG LEU A 42 -7.567 11.166 2.786 1.00 22.30 H new ATOM 0 HD11 LEU A 42 -6.292 13.079 1.920 1.00 41.21 H new ATOM 0 HD12 LEU A 42 -5.518 12.347 3.346 1.00 41.21 H new ATOM 0 HD13 LEU A 42 -4.868 12.031 1.720 1.00 41.21 H new ATOM 0 HD21 LEU A 42 -7.610 11.713 0.375 1.00 52.54 H new ATOM 0 HD22 LEU A 42 -6.259 10.586 0.106 1.00 52.54 H new ATOM 0 HD23 LEU A 42 -7.832 9.971 0.667 1.00 52.54 H new ATOM 703 N ILE A 43 -4.215 7.886 4.509 1.00 22.02 N ATOM 704 CA ILE A 43 -3.618 6.586 4.802 1.00 61.34 C ATOM 705 C ILE A 43 -4.031 6.090 6.186 1.00 22.23 C ATOM 706 O ILE A 43 -4.642 5.025 6.320 1.00 50.01 O ATOM 707 CB ILE A 43 -2.069 6.661 4.730 1.00 74.33 C ATOM 708 CG1 ILE A 43 -1.608 7.033 3.314 1.00 22.11 C ATOM 709 CG2 ILE A 43 -1.434 5.352 5.177 1.00 13.22 C ATOM 710 CD1 ILE A 43 -1.974 6.015 2.255 1.00 25.23 C ATOM 0 H ILE A 43 -3.535 8.607 4.270 1.00 22.02 H new ATOM 0 HA ILE A 43 -3.981 5.886 4.050 1.00 61.34 H new ATOM 0 HB ILE A 43 -1.740 7.443 5.414 1.00 74.33 H new ATOM 0 HG12 ILE A 43 -2.043 7.995 3.043 1.00 22.11 H new ATOM 0 HG13 ILE A 43 -0.526 7.163 3.319 1.00 22.11 H new ATOM 0 HG21 ILE A 43 -0.349 5.434 5.116 1.00 13.22 H new ATOM 0 HG22 ILE A 43 -1.724 5.139 6.206 1.00 13.22 H new ATOM 0 HG23 ILE A 43 -1.773 4.543 4.530 1.00 13.22 H new ATOM 0 HD11 ILE A 43 -1.612 6.354 1.284 1.00 25.23 H new ATOM 0 HD12 ILE A 43 -1.516 5.056 2.498 1.00 25.23 H new ATOM 0 HD13 ILE A 43 -3.057 5.901 2.219 1.00 25.23 H new ATOM 722 N ASN A 44 -3.717 6.880 7.206 1.00 3.13 N ATOM 723 CA ASN A 44 -4.034 6.528 8.592 1.00 25.25 C ATOM 724 C ASN A 44 -5.534 6.399 8.804 1.00 12.33 C ATOM 725 O ASN A 44 -5.990 5.703 9.719 1.00 21.22 O ATOM 726 CB ASN A 44 -3.440 7.556 9.560 1.00 43.22 C ATOM 727 CG ASN A 44 -1.934 7.417 9.707 1.00 65.11 C ATOM 728 OD1 ASN A 44 -1.247 6.968 8.794 1.00 63.11 O ATOM 729 ND2 ASN A 44 -1.413 7.804 10.854 1.00 14.24 N ATOM 0 H ASN A 44 -3.240 7.775 7.102 1.00 3.13 H new ATOM 0 HA ASN A 44 -3.585 5.557 8.798 1.00 25.25 H new ATOM 0 HB2 ASN A 44 -3.676 8.560 9.208 1.00 43.22 H new ATOM 0 HB3 ASN A 44 -3.909 7.443 10.537 1.00 43.22 H new ATOM 0 HD21 ASN A 44 -0.407 7.735 11.006 1.00 14.24 H new ATOM 0 HD22 ASN A 44 -2.016 8.172 11.590 1.00 14.24 H new ATOM 736 N GLY A 45 -6.298 7.066 7.961 1.00 42.44 N ATOM 737 CA GLY A 45 -7.730 6.975 8.040 1.00 14.12 C ATOM 738 C GLY A 45 -8.222 5.597 7.658 1.00 35.31 C ATOM 739 O GLY A 45 -9.031 5.002 8.365 1.00 52.42 O ATOM 0 H GLY A 45 -5.947 7.672 7.220 1.00 42.44 H new ATOM 0 HA2 GLY A 45 -8.055 7.210 9.054 1.00 14.12 H new ATOM 0 HA3 GLY A 45 -8.179 7.718 7.381 1.00 14.12 H new ATOM 743 N TYR A 46 -7.703 5.074 6.552 1.00 12.33 N ATOM 744 CA TYR A 46 -8.118 3.765 6.054 1.00 45.44 C ATOM 745 C TYR A 46 -7.688 2.651 6.995 1.00 21.44 C ATOM 746 O TYR A 46 -8.457 1.731 7.259 1.00 32.34 O ATOM 747 CB TYR A 46 -7.553 3.504 4.653 1.00 63.22 C ATOM 748 CG TYR A 46 -7.892 4.575 3.643 1.00 13.41 C ATOM 749 CD1 TYR A 46 -9.180 5.090 3.547 1.00 74.11 C ATOM 750 CD2 TYR A 46 -6.922 5.075 2.787 1.00 43.23 C ATOM 751 CE1 TYR A 46 -9.487 6.073 2.629 1.00 73.40 C ATOM 752 CE2 TYR A 46 -7.221 6.056 1.867 1.00 31.31 C ATOM 753 CZ TYR A 46 -8.505 6.553 1.792 1.00 73.24 C ATOM 754 OH TYR A 46 -8.805 7.536 0.879 1.00 11.35 O ATOM 0 H TYR A 46 -6.994 5.536 5.982 1.00 12.33 H new ATOM 0 HA TYR A 46 -9.207 3.773 6.000 1.00 45.44 H new ATOM 0 HB2 TYR A 46 -6.469 3.414 4.721 1.00 63.22 H new ATOM 0 HB3 TYR A 46 -7.931 2.547 4.293 1.00 63.22 H new ATOM 0 HD1 TYR A 46 -9.953 4.714 4.202 1.00 74.11 H new ATOM 0 HD2 TYR A 46 -5.915 4.689 2.843 1.00 43.23 H new ATOM 0 HE1 TYR A 46 -10.492 6.464 2.567 1.00 73.40 H new ATOM 0 HE2 TYR A 46 -6.453 6.434 1.208 1.00 31.31 H new ATOM 0 HH TYR A 46 -9.692 7.369 0.498 1.00 11.35 H new ATOM 764 N ILE A 47 -6.461 2.753 7.510 1.00 15.02 N ATOM 765 CA ILE A 47 -5.899 1.739 8.413 1.00 34.42 C ATOM 766 C ILE A 47 -6.867 1.409 9.550 1.00 63.22 C ATOM 767 O ILE A 47 -7.200 0.240 9.783 1.00 11.32 O ATOM 768 CB ILE A 47 -4.551 2.206 9.018 1.00 61.01 C ATOM 769 CG1 ILE A 47 -3.543 2.505 7.906 1.00 24.10 C ATOM 770 CG2 ILE A 47 -3.995 1.152 9.975 1.00 53.02 C ATOM 771 CD1 ILE A 47 -2.224 3.049 8.408 1.00 60.44 C ATOM 0 H ILE A 47 -5.832 3.532 7.317 1.00 15.02 H new ATOM 0 HA ILE A 47 -5.731 0.844 7.814 1.00 34.42 H new ATOM 0 HB ILE A 47 -4.727 3.122 9.583 1.00 61.01 H new ATOM 0 HG12 ILE A 47 -3.357 1.591 7.341 1.00 24.10 H new ATOM 0 HG13 ILE A 47 -3.982 3.224 7.214 1.00 24.10 H new ATOM 0 HG21 ILE A 47 -3.048 1.499 10.389 1.00 53.02 H new ATOM 0 HG22 ILE A 47 -4.705 0.985 10.785 1.00 53.02 H new ATOM 0 HG23 ILE A 47 -3.834 0.219 9.435 1.00 53.02 H new ATOM 0 HD11 ILE A 47 -1.562 3.236 7.562 1.00 60.44 H new ATOM 0 HD12 ILE A 47 -2.396 3.980 8.947 1.00 60.44 H new ATOM 0 HD13 ILE A 47 -1.762 2.323 9.077 1.00 60.44 H new ATOM 783 N GLN A 48 -7.328 2.437 10.238 1.00 21.54 N ATOM 784 CA GLN A 48 -8.251 2.257 11.349 1.00 34.40 C ATOM 785 C GLN A 48 -9.605 1.737 10.877 1.00 33.20 C ATOM 786 O GLN A 48 -10.173 0.846 11.496 1.00 50.31 O ATOM 787 CB GLN A 48 -8.421 3.556 12.140 1.00 72.44 C ATOM 788 CG GLN A 48 -7.411 3.752 13.271 1.00 63.13 C ATOM 789 CD GLN A 48 -5.969 3.643 12.817 1.00 2.23 C ATOM 790 OE1 GLN A 48 -5.370 4.621 12.389 1.00 21.43 O ATOM 791 NE2 GLN A 48 -5.397 2.457 12.932 1.00 22.12 N ATOM 0 H GLN A 48 -7.079 3.408 10.048 1.00 21.54 H new ATOM 0 HA GLN A 48 -7.818 1.506 12.010 1.00 34.40 H new ATOM 0 HB2 GLN A 48 -8.343 4.397 11.452 1.00 72.44 H new ATOM 0 HB3 GLN A 48 -9.426 3.580 12.561 1.00 72.44 H new ATOM 0 HG2 GLN A 48 -7.569 4.731 13.723 1.00 63.13 H new ATOM 0 HG3 GLN A 48 -7.597 3.009 14.047 1.00 63.13 H new ATOM 0 HE21 GLN A 48 -5.931 1.666 13.293 1.00 22.12 H new ATOM 0 HE22 GLN A 48 -4.422 2.332 12.659 1.00 22.12 H new ATOM 800 N LYS A 49 -10.109 2.277 9.767 1.00 31.44 N ATOM 801 CA LYS A 49 -11.417 1.867 9.239 1.00 41.43 C ATOM 802 C LYS A 49 -11.432 0.382 8.877 1.00 3.33 C ATOM 803 O LYS A 49 -12.360 -0.346 9.231 1.00 33.34 O ATOM 804 CB LYS A 49 -11.797 2.699 8.009 1.00 65.24 C ATOM 805 CG LYS A 49 -11.949 4.185 8.283 1.00 61.12 C ATOM 806 CD LYS A 49 -12.310 4.945 7.016 1.00 53.51 C ATOM 807 CE LYS A 49 -12.275 6.452 7.236 1.00 10.45 C ATOM 808 NZ LYS A 49 -13.237 6.896 8.277 1.00 32.52 N ATOM 0 H LYS A 49 -9.637 2.995 9.217 1.00 31.44 H new ATOM 0 HA LYS A 49 -12.150 2.040 10.027 1.00 41.43 H new ATOM 0 HB2 LYS A 49 -11.036 2.559 7.241 1.00 65.24 H new ATOM 0 HB3 LYS A 49 -12.734 2.319 7.603 1.00 65.24 H new ATOM 0 HG2 LYS A 49 -12.721 4.341 9.036 1.00 61.12 H new ATOM 0 HG3 LYS A 49 -11.019 4.579 8.694 1.00 61.12 H new ATOM 0 HD2 LYS A 49 -11.615 4.677 6.220 1.00 53.51 H new ATOM 0 HD3 LYS A 49 -13.305 4.648 6.684 1.00 53.51 H new ATOM 0 HE2 LYS A 49 -11.267 6.751 7.526 1.00 10.45 H new ATOM 0 HE3 LYS A 49 -12.500 6.959 6.298 1.00 10.45 H new ATOM 0 HZ1 LYS A 49 -13.249 7.935 8.318 1.00 32.52 H new ATOM 0 HZ2 LYS A 49 -14.188 6.548 8.042 1.00 32.52 H new ATOM 0 HZ3 LYS A 49 -12.948 6.516 9.201 1.00 32.52 H new ATOM 822 N ILE A 50 -10.399 -0.060 8.190 1.00 71.41 N ATOM 823 CA ILE A 50 -10.308 -1.443 7.749 1.00 23.52 C ATOM 824 C ILE A 50 -10.190 -2.403 8.937 1.00 65.43 C ATOM 825 O ILE A 50 -10.840 -3.450 8.967 1.00 13.40 O ATOM 826 CB ILE A 50 -9.117 -1.644 6.781 1.00 34.30 C ATOM 827 CG1 ILE A 50 -9.266 -0.711 5.574 1.00 21.53 C ATOM 828 CG2 ILE A 50 -9.032 -3.097 6.325 1.00 42.44 C ATOM 829 CD1 ILE A 50 -8.099 -0.755 4.616 1.00 74.41 C ATOM 0 H ILE A 50 -9.604 0.520 7.922 1.00 71.41 H new ATOM 0 HA ILE A 50 -11.231 -1.672 7.215 1.00 23.52 H new ATOM 0 HB ILE A 50 -8.193 -1.400 7.306 1.00 34.30 H new ATOM 0 HG12 ILE A 50 -10.176 -0.974 5.035 1.00 21.53 H new ATOM 0 HG13 ILE A 50 -9.391 0.311 5.931 1.00 21.53 H new ATOM 0 HG21 ILE A 50 -8.188 -3.216 5.645 1.00 42.44 H new ATOM 0 HG22 ILE A 50 -8.894 -3.743 7.192 1.00 42.44 H new ATOM 0 HG23 ILE A 50 -9.953 -3.372 5.811 1.00 42.44 H new ATOM 0 HD11 ILE A 50 -8.281 -0.068 3.790 1.00 74.41 H new ATOM 0 HD12 ILE A 50 -7.188 -0.462 5.138 1.00 74.41 H new ATOM 0 HD13 ILE A 50 -7.985 -1.767 4.228 1.00 74.41 H new ATOM 841 N LYS A 51 -9.386 -2.033 9.926 1.00 10.33 N ATOM 842 CA LYS A 51 -9.200 -2.882 11.101 1.00 34.13 C ATOM 843 C LYS A 51 -10.406 -2.842 12.037 1.00 23.12 C ATOM 844 O LYS A 51 -10.613 -3.755 12.831 1.00 55.30 O ATOM 845 CB LYS A 51 -7.917 -2.525 11.849 1.00 4.33 C ATOM 846 CG LYS A 51 -6.659 -2.977 11.129 1.00 60.04 C ATOM 847 CD LYS A 51 -5.424 -2.792 11.990 1.00 35.13 C ATOM 848 CE LYS A 51 -4.215 -3.460 11.358 1.00 1.03 C ATOM 849 NZ LYS A 51 -3.012 -3.362 12.217 1.00 74.23 N ATOM 0 H LYS A 51 -8.857 -1.161 9.941 1.00 10.33 H new ATOM 0 HA LYS A 51 -9.106 -3.905 10.738 1.00 34.13 H new ATOM 0 HB2 LYS A 51 -7.877 -1.445 11.994 1.00 4.33 H new ATOM 0 HB3 LYS A 51 -7.944 -2.979 12.840 1.00 4.33 H new ATOM 0 HG2 LYS A 51 -6.756 -4.027 10.852 1.00 60.04 H new ATOM 0 HG3 LYS A 51 -6.546 -2.412 10.204 1.00 60.04 H new ATOM 0 HD2 LYS A 51 -5.227 -1.729 12.126 1.00 35.13 H new ATOM 0 HD3 LYS A 51 -5.600 -3.212 12.980 1.00 35.13 H new ATOM 0 HE2 LYS A 51 -4.439 -4.509 11.168 1.00 1.03 H new ATOM 0 HE3 LYS A 51 -4.009 -2.998 10.393 1.00 1.03 H new ATOM 0 HZ1 LYS A 51 -2.533 -4.285 12.250 1.00 74.23 H new ATOM 0 HZ2 LYS A 51 -2.363 -2.649 11.826 1.00 74.23 H new ATOM 0 HZ3 LYS A 51 -3.294 -3.083 13.178 1.00 74.23 H new ATOM 863 N SER A 52 -11.209 -1.796 11.931 1.00 44.31 N ATOM 864 CA SER A 52 -12.406 -1.683 12.752 1.00 14.43 C ATOM 865 C SER A 52 -13.574 -2.414 12.103 1.00 73.11 C ATOM 866 O SER A 52 -14.690 -2.406 12.622 1.00 54.33 O ATOM 867 CB SER A 52 -12.767 -0.218 12.977 1.00 4.23 C ATOM 868 OG SER A 52 -11.701 0.480 13.596 1.00 52.13 O ATOM 0 H SER A 52 -11.057 -1.018 11.290 1.00 44.31 H new ATOM 0 HA SER A 52 -12.198 -2.144 13.717 1.00 14.43 H new ATOM 0 HB2 SER A 52 -13.008 0.251 12.023 1.00 4.23 H new ATOM 0 HB3 SER A 52 -13.659 -0.151 13.599 1.00 4.23 H new ATOM 0 HG SER A 52 -10.919 0.475 13.005 1.00 52.13 H new ATOM 874 N GLY A 53 -13.310 -3.043 10.961 1.00 22.33 N ATOM 875 CA GLY A 53 -14.341 -3.774 10.258 1.00 3.11 C ATOM 876 C GLY A 53 -15.327 -2.855 9.573 1.00 13.41 C ATOM 877 O GLY A 53 -16.477 -3.233 9.330 1.00 61.23 O ATOM 0 H GLY A 53 -12.395 -3.057 10.511 1.00 22.33 H new ATOM 0 HA2 GLY A 53 -13.880 -4.427 9.517 1.00 3.11 H new ATOM 0 HA3 GLY A 53 -14.873 -4.415 10.961 1.00 3.11 H new ATOM 881 N GLU A 54 -14.880 -1.648 9.261 1.00 2.21 N ATOM 882 CA GLU A 54 -15.726 -0.669 8.607 1.00 60.04 C ATOM 883 C GLU A 54 -15.692 -0.856 7.099 1.00 24.53 C ATOM 884 O GLU A 54 -16.656 -1.337 6.501 1.00 25.22 O ATOM 885 CB GLU A 54 -15.283 0.752 8.964 1.00 40.32 C ATOM 886 CG GLU A 54 -15.363 1.080 10.446 1.00 5.11 C ATOM 887 CD GLU A 54 -14.850 2.471 10.754 1.00 5.00 C ATOM 888 OE1 GLU A 54 -15.557 3.449 10.443 1.00 10.21 O ATOM 889 OE2 GLU A 54 -13.730 2.593 11.296 1.00 11.34 O ATOM 0 H GLU A 54 -13.932 -1.325 9.452 1.00 2.21 H new ATOM 0 HA GLU A 54 -16.747 -0.817 8.958 1.00 60.04 H new ATOM 0 HB2 GLU A 54 -14.256 0.895 8.627 1.00 40.32 H new ATOM 0 HB3 GLU A 54 -15.901 1.461 8.413 1.00 40.32 H new ATOM 0 HG2 GLU A 54 -16.397 0.994 10.780 1.00 5.11 H new ATOM 0 HG3 GLU A 54 -14.784 0.348 11.010 1.00 5.11 H new ATOM 896 N GLU A 55 -14.570 -0.505 6.491 1.00 61.01 N ATOM 897 CA GLU A 55 -14.426 -0.606 5.050 1.00 24.32 C ATOM 898 C GLU A 55 -13.514 -1.756 4.657 1.00 1.51 C ATOM 899 O GLU A 55 -12.683 -2.210 5.450 1.00 21.11 O ATOM 900 CB GLU A 55 -13.911 0.707 4.463 1.00 70.02 C ATOM 901 CG GLU A 55 -14.891 1.858 4.598 1.00 21.40 C ATOM 902 CD GLU A 55 -16.259 1.512 4.050 1.00 13.31 C ATOM 903 OE1 GLU A 55 -16.397 1.376 2.817 1.00 64.12 O ATOM 904 OE2 GLU A 55 -17.202 1.361 4.850 1.00 63.34 O ATOM 0 H GLU A 55 -13.746 -0.148 6.975 1.00 61.01 H new ATOM 0 HA GLU A 55 -15.414 -0.809 4.638 1.00 24.32 H new ATOM 0 HB2 GLU A 55 -12.978 0.975 4.958 1.00 70.02 H new ATOM 0 HB3 GLU A 55 -13.681 0.558 3.408 1.00 70.02 H new ATOM 0 HG2 GLU A 55 -14.982 2.134 5.648 1.00 21.40 H new ATOM 0 HG3 GLU A 55 -14.500 2.729 4.072 1.00 21.40 H new ATOM 911 N ASP A 56 -13.677 -2.212 3.431 1.00 42.34 N ATOM 912 CA ASP A 56 -12.916 -3.329 2.896 1.00 30.45 C ATOM 913 C ASP A 56 -11.617 -2.845 2.261 1.00 32.12 C ATOM 914 O ASP A 56 -11.601 -1.823 1.567 1.00 61.02 O ATOM 915 CB ASP A 56 -13.764 -4.072 1.864 1.00 23.33 C ATOM 916 CG ASP A 56 -13.027 -5.201 1.191 1.00 20.01 C ATOM 917 OD1 ASP A 56 -12.938 -6.295 1.783 1.00 12.44 O ATOM 918 OD2 ASP A 56 -12.546 -5.005 0.064 1.00 3.03 O ATOM 0 H ASP A 56 -14.346 -1.816 2.771 1.00 42.34 H new ATOM 0 HA ASP A 56 -12.661 -4.005 3.712 1.00 30.45 H new ATOM 0 HB2 ASP A 56 -14.654 -4.468 2.352 1.00 23.33 H new ATOM 0 HB3 ASP A 56 -14.104 -3.366 1.106 1.00 23.33 H new ATOM 923 N PHE A 57 -10.532 -3.580 2.499 1.00 35.23 N ATOM 924 CA PHE A 57 -9.224 -3.213 1.967 1.00 54.45 C ATOM 925 C PHE A 57 -9.229 -3.213 0.445 1.00 3.23 C ATOM 926 O PHE A 57 -8.851 -2.230 -0.173 1.00 44.22 O ATOM 927 CB PHE A 57 -8.130 -4.156 2.489 1.00 62.31 C ATOM 928 CG PHE A 57 -6.731 -3.756 2.068 1.00 11.15 C ATOM 929 CD1 PHE A 57 -6.191 -4.209 0.873 1.00 12.33 C ATOM 930 CD2 PHE A 57 -5.964 -2.924 2.867 1.00 30.32 C ATOM 931 CE1 PHE A 57 -4.918 -3.837 0.488 1.00 50.51 C ATOM 932 CE2 PHE A 57 -4.690 -2.552 2.486 1.00 73.22 C ATOM 933 CZ PHE A 57 -4.168 -3.007 1.296 1.00 23.33 C ATOM 0 H PHE A 57 -10.535 -4.434 3.057 1.00 35.23 H new ATOM 0 HA PHE A 57 -9.005 -2.202 2.312 1.00 54.45 H new ATOM 0 HB2 PHE A 57 -8.178 -4.187 3.578 1.00 62.31 H new ATOM 0 HB3 PHE A 57 -8.333 -5.166 2.133 1.00 62.31 H new ATOM 0 HD1 PHE A 57 -6.773 -4.860 0.237 1.00 12.33 H new ATOM 0 HD2 PHE A 57 -6.368 -2.561 3.801 1.00 30.32 H new ATOM 0 HE1 PHE A 57 -4.510 -4.196 -0.445 1.00 50.51 H new ATOM 0 HE2 PHE A 57 -4.103 -1.905 3.121 1.00 73.22 H new ATOM 0 HZ PHE A 57 -3.173 -2.715 0.995 1.00 23.33 H new ATOM 943 N GLU A 58 -9.673 -4.316 -0.147 1.00 25.43 N ATOM 944 CA GLU A 58 -9.710 -4.457 -1.606 1.00 2.32 C ATOM 945 C GLU A 58 -10.559 -3.356 -2.242 1.00 70.00 C ATOM 946 O GLU A 58 -10.225 -2.836 -3.305 1.00 30.24 O ATOM 947 CB GLU A 58 -10.249 -5.836 -1.988 1.00 20.21 C ATOM 948 CG GLU A 58 -9.346 -6.982 -1.565 1.00 65.20 C ATOM 949 CD GLU A 58 -10.030 -8.324 -1.665 1.00 51.02 C ATOM 950 OE1 GLU A 58 -10.798 -8.669 -0.744 1.00 21.41 O ATOM 951 OE2 GLU A 58 -9.805 -9.044 -2.656 1.00 65.54 O ATOM 0 H GLU A 58 -10.015 -5.132 0.360 1.00 25.43 H new ATOM 0 HA GLU A 58 -8.693 -4.358 -1.985 1.00 2.32 H new ATOM 0 HB2 GLU A 58 -11.231 -5.972 -1.534 1.00 20.21 H new ATOM 0 HB3 GLU A 58 -10.390 -5.875 -3.068 1.00 20.21 H new ATOM 0 HG2 GLU A 58 -8.453 -6.986 -2.189 1.00 65.20 H new ATOM 0 HG3 GLU A 58 -9.017 -6.821 -0.538 1.00 65.20 H new ATOM 958 N SER A 59 -11.652 -3.011 -1.581 1.00 2.53 N ATOM 959 CA SER A 59 -12.530 -1.948 -2.040 1.00 43.34 C ATOM 960 C SER A 59 -11.781 -0.612 -2.070 1.00 11.51 C ATOM 961 O SER A 59 -11.763 0.090 -3.094 1.00 15.13 O ATOM 962 CB SER A 59 -13.753 -1.848 -1.119 1.00 33.31 C ATOM 963 OG SER A 59 -14.666 -0.857 -1.560 1.00 63.42 O ATOM 0 H SER A 59 -11.954 -3.458 -0.715 1.00 2.53 H new ATOM 0 HA SER A 59 -12.864 -2.180 -3.051 1.00 43.34 H new ATOM 0 HB2 SER A 59 -14.257 -2.814 -1.078 1.00 33.31 H new ATOM 0 HB3 SER A 59 -13.426 -1.616 -0.105 1.00 33.31 H new ATOM 0 HG SER A 59 -15.432 -0.824 -0.950 1.00 63.42 H new ATOM 969 N LEU A 60 -11.143 -0.277 -0.954 1.00 72.24 N ATOM 970 CA LEU A 60 -10.401 0.968 -0.841 1.00 13.00 C ATOM 971 C LEU A 60 -9.171 0.957 -1.740 1.00 53.33 C ATOM 972 O LEU A 60 -8.822 1.963 -2.331 1.00 3.25 O ATOM 973 CB LEU A 60 -9.994 1.228 0.612 1.00 21.31 C ATOM 974 CG LEU A 60 -11.146 1.384 1.610 1.00 53.20 C ATOM 975 CD1 LEU A 60 -10.612 1.636 3.007 1.00 55.44 C ATOM 976 CD2 LEU A 60 -12.079 2.509 1.189 1.00 54.02 C ATOM 0 H LEU A 60 -11.126 -0.854 -0.113 1.00 72.24 H new ATOM 0 HA LEU A 60 -11.056 1.776 -1.168 1.00 13.00 H new ATOM 0 HB2 LEU A 60 -9.359 0.406 0.944 1.00 21.31 H new ATOM 0 HB3 LEU A 60 -9.387 2.133 0.643 1.00 21.31 H new ATOM 0 HG LEU A 60 -11.714 0.454 1.618 1.00 53.20 H new ATOM 0 HD11 LEU A 60 -11.445 1.744 3.701 1.00 55.44 H new ATOM 0 HD12 LEU A 60 -9.989 0.796 3.315 1.00 55.44 H new ATOM 0 HD13 LEU A 60 -10.017 2.549 3.010 1.00 55.44 H new ATOM 0 HD21 LEU A 60 -12.889 2.600 1.913 1.00 54.02 H new ATOM 0 HD22 LEU A 60 -11.523 3.446 1.146 1.00 54.02 H new ATOM 0 HD23 LEU A 60 -12.495 2.288 0.206 1.00 54.02 H new ATOM 988 N ALA A 61 -8.535 -0.188 -1.855 1.00 63.40 N ATOM 989 CA ALA A 61 -7.350 -0.321 -2.690 1.00 14.30 C ATOM 990 C ALA A 61 -7.707 -0.258 -4.172 1.00 14.23 C ATOM 991 O ALA A 61 -6.844 -0.097 -5.023 1.00 30.42 O ATOM 992 CB ALA A 61 -6.621 -1.615 -2.372 1.00 51.25 C ATOM 0 H ALA A 61 -8.816 -1.046 -1.381 1.00 63.40 H new ATOM 0 HA ALA A 61 -6.688 0.517 -2.471 1.00 14.30 H new ATOM 0 HB1 ALA A 61 -5.737 -1.700 -3.005 1.00 51.25 H new ATOM 0 HB2 ALA A 61 -6.319 -1.614 -1.325 1.00 51.25 H new ATOM 0 HB3 ALA A 61 -7.283 -2.461 -2.558 1.00 51.25 H new ATOM 998 N SER A 62 -8.977 -0.407 -4.474 1.00 74.24 N ATOM 999 CA SER A 62 -9.427 -0.345 -5.839 1.00 21.20 C ATOM 1000 C SER A 62 -9.846 1.078 -6.228 1.00 53.14 C ATOM 1001 O SER A 62 -9.399 1.614 -7.240 1.00 22.11 O ATOM 1002 CB SER A 62 -10.591 -1.315 -6.062 1.00 74.35 C ATOM 1003 OG SER A 62 -10.722 -1.641 -7.437 1.00 32.54 O ATOM 0 H SER A 62 -9.715 -0.572 -3.789 1.00 74.24 H new ATOM 0 HA SER A 62 -8.592 -0.636 -6.476 1.00 21.20 H new ATOM 0 HB2 SER A 62 -10.428 -2.224 -5.483 1.00 74.35 H new ATOM 0 HB3 SER A 62 -11.517 -0.868 -5.700 1.00 74.35 H new ATOM 0 HG SER A 62 -9.866 -1.496 -7.891 1.00 32.54 H new ATOM 1009 N GLN A 63 -10.695 1.687 -5.407 1.00 54.43 N ATOM 1010 CA GLN A 63 -11.270 2.994 -5.731 1.00 44.41 C ATOM 1011 C GLN A 63 -10.574 4.156 -5.015 1.00 53.13 C ATOM 1012 O GLN A 63 -10.805 5.316 -5.344 1.00 15.55 O ATOM 1013 CB GLN A 63 -12.761 2.993 -5.401 1.00 0.34 C ATOM 1014 CG GLN A 63 -13.551 1.939 -6.165 1.00 63.51 C ATOM 1015 CD GLN A 63 -15.008 1.868 -5.749 1.00 11.01 C ATOM 1016 OE1 GLN A 63 -15.285 2.144 -4.492 1.00 52.00 O flip ATOM 1017 NE2 GLN A 63 -15.879 1.550 -6.556 1.00 4.34 N flip ATOM 0 H GLN A 63 -11.001 1.301 -4.514 1.00 54.43 H new ATOM 0 HA GLN A 63 -11.117 3.153 -6.798 1.00 44.41 H new ATOM 0 HB2 GLN A 63 -12.888 2.827 -4.331 1.00 0.34 H new ATOM 0 HB3 GLN A 63 -13.175 3.977 -5.622 1.00 0.34 H new ATOM 0 HG2 GLN A 63 -13.494 2.154 -7.232 1.00 63.51 H new ATOM 0 HG3 GLN A 63 -13.088 0.964 -6.011 1.00 63.51 H new ATOM 0 HE21 GLN A 63 -15.628 1.343 -7.523 1.00 4.34 H new ATOM 0 HE22 GLN A 63 -16.853 1.493 -6.259 1.00 4.34 H new ATOM 1026 N PHE A 64 -9.741 3.855 -4.041 1.00 62.20 N ATOM 1027 CA PHE A 64 -9.053 4.902 -3.285 1.00 75.41 C ATOM 1028 C PHE A 64 -7.540 4.753 -3.378 1.00 13.42 C ATOM 1029 O PHE A 64 -6.799 5.278 -2.543 1.00 53.14 O ATOM 1030 CB PHE A 64 -9.505 4.904 -1.816 1.00 52.21 C ATOM 1031 CG PHE A 64 -10.911 5.403 -1.610 1.00 71.23 C ATOM 1032 CD1 PHE A 64 -11.997 4.561 -1.787 1.00 5.11 C ATOM 1033 CD2 PHE A 64 -11.142 6.717 -1.239 1.00 21.10 C ATOM 1034 CE1 PHE A 64 -13.285 5.022 -1.598 1.00 54.45 C ATOM 1035 CE2 PHE A 64 -12.429 7.182 -1.048 1.00 23.11 C ATOM 1036 CZ PHE A 64 -13.501 6.333 -1.228 1.00 41.44 C ATOM 0 H PHE A 64 -9.519 2.903 -3.749 1.00 62.20 H new ATOM 0 HA PHE A 64 -9.323 5.859 -3.731 1.00 75.41 H new ATOM 0 HB2 PHE A 64 -9.428 3.891 -1.421 1.00 52.21 H new ATOM 0 HB3 PHE A 64 -8.821 5.525 -1.237 1.00 52.21 H new ATOM 0 HD1 PHE A 64 -11.835 3.533 -2.076 1.00 5.11 H new ATOM 0 HD2 PHE A 64 -10.306 7.386 -1.097 1.00 21.10 H new ATOM 0 HE1 PHE A 64 -14.123 4.356 -1.740 1.00 54.45 H new ATOM 0 HE2 PHE A 64 -12.595 8.209 -0.758 1.00 23.11 H new ATOM 0 HZ PHE A 64 -14.508 6.694 -1.079 1.00 41.44 H new ATOM 1046 N SER A 65 -7.091 4.059 -4.403 1.00 64.23 N ATOM 1047 CA SER A 65 -5.675 3.865 -4.638 1.00 15.13 C ATOM 1048 C SER A 65 -5.326 4.342 -6.032 1.00 71.00 C ATOM 1049 O SER A 65 -6.020 4.018 -6.989 1.00 33.32 O ATOM 1050 CB SER A 65 -5.305 2.388 -4.485 1.00 13.14 C ATOM 1051 OG SER A 65 -3.908 2.184 -4.618 1.00 12.21 O ATOM 0 H SER A 65 -7.695 3.615 -5.095 1.00 64.23 H new ATOM 0 HA SER A 65 -5.111 4.441 -3.904 1.00 15.13 H new ATOM 0 HB2 SER A 65 -5.635 2.029 -3.510 1.00 13.14 H new ATOM 0 HB3 SER A 65 -5.832 1.800 -5.236 1.00 13.14 H new ATOM 0 HG SER A 65 -3.743 1.449 -5.245 1.00 12.21 H new ATOM 1057 N ASP A 66 -4.270 5.119 -6.147 1.00 51.15 N ATOM 1058 CA ASP A 66 -3.847 5.629 -7.439 1.00 24.30 C ATOM 1059 C ASP A 66 -2.616 4.890 -7.924 1.00 10.41 C ATOM 1060 O ASP A 66 -1.504 5.433 -7.913 1.00 0.12 O ATOM 1061 CB ASP A 66 -3.569 7.141 -7.396 1.00 41.13 C ATOM 1062 CG ASP A 66 -4.811 7.977 -7.151 1.00 13.11 C ATOM 1063 OD1 ASP A 66 -5.539 8.282 -8.122 1.00 71.32 O ATOM 1064 OD2 ASP A 66 -5.054 8.351 -5.988 1.00 10.42 O ATOM 0 H ASP A 66 -3.687 5.413 -5.363 1.00 51.15 H new ATOM 0 HA ASP A 66 -4.667 5.460 -8.137 1.00 24.30 H new ATOM 0 HB2 ASP A 66 -2.841 7.347 -6.611 1.00 41.13 H new ATOM 0 HB3 ASP A 66 -3.115 7.446 -8.339 1.00 41.13 H new ATOM 1069 N ASP A 67 -2.806 3.642 -8.314 1.00 35.55 N ATOM 1070 CA ASP A 67 -1.717 2.826 -8.829 1.00 33.35 C ATOM 1071 C ASP A 67 -2.224 1.908 -9.932 1.00 21.31 C ATOM 1072 O ASP A 67 -3.417 1.898 -10.246 1.00 72.43 O ATOM 1073 CB ASP A 67 -1.051 2.009 -7.710 1.00 1.24 C ATOM 1074 CG ASP A 67 -1.831 0.774 -7.316 1.00 3.33 C ATOM 1075 OD1 ASP A 67 -2.902 0.911 -6.707 1.00 13.22 O ATOM 1076 OD2 ASP A 67 -1.356 -0.343 -7.608 1.00 44.03 O ATOM 0 H ASP A 67 -3.709 3.168 -8.284 1.00 35.55 H new ATOM 0 HA ASP A 67 -0.962 3.494 -9.245 1.00 33.35 H new ATOM 0 HB2 ASP A 67 -0.054 1.711 -8.033 1.00 1.24 H new ATOM 0 HB3 ASP A 67 -0.925 2.644 -6.833 1.00 1.24 H new ATOM 1081 N SER A 68 -1.324 1.138 -10.507 1.00 32.05 N ATOM 1082 CA SER A 68 -1.649 0.263 -11.618 1.00 35.04 C ATOM 1083 C SER A 68 -2.488 -0.947 -11.177 1.00 64.30 C ATOM 1084 O SER A 68 -3.277 -1.482 -11.958 1.00 4.53 O ATOM 1085 CB SER A 68 -0.361 -0.210 -12.272 1.00 13.31 C ATOM 1086 OG SER A 68 0.550 0.869 -12.433 1.00 14.02 O ATOM 0 H SER A 68 -0.346 1.100 -10.219 1.00 32.05 H new ATOM 0 HA SER A 68 -2.250 0.829 -12.330 1.00 35.04 H new ATOM 0 HB2 SER A 68 0.096 -0.990 -11.663 1.00 13.31 H new ATOM 0 HB3 SER A 68 -0.582 -0.653 -13.243 1.00 13.31 H new ATOM 0 HG SER A 68 1.373 0.543 -12.854 1.00 14.02 H new ATOM 1092 N SER A 69 -2.327 -1.361 -9.932 1.00 62.15 N ATOM 1093 CA SER A 69 -3.026 -2.527 -9.419 1.00 13.35 C ATOM 1094 C SER A 69 -4.418 -2.177 -8.899 1.00 75.02 C ATOM 1095 O SER A 69 -5.208 -3.068 -8.601 1.00 14.33 O ATOM 1096 CB SER A 69 -2.203 -3.210 -8.332 1.00 55.45 C ATOM 1097 OG SER A 69 -0.912 -3.555 -8.815 1.00 31.44 O ATOM 0 H SER A 69 -1.716 -0.905 -9.255 1.00 62.15 H new ATOM 0 HA SER A 69 -3.155 -3.220 -10.250 1.00 13.35 H new ATOM 0 HB2 SER A 69 -2.109 -2.548 -7.471 1.00 55.45 H new ATOM 0 HB3 SER A 69 -2.719 -4.107 -7.989 1.00 55.45 H new ATOM 0 HG SER A 69 -0.724 -4.493 -8.603 1.00 31.44 H new ATOM 1103 N ALA A 70 -4.705 -0.882 -8.776 1.00 65.44 N ATOM 1104 CA ALA A 70 -6.007 -0.410 -8.284 1.00 60.13 C ATOM 1105 C ALA A 70 -7.177 -1.059 -9.040 1.00 73.34 C ATOM 1106 O ALA A 70 -8.204 -1.394 -8.443 1.00 20.41 O ATOM 1107 CB ALA A 70 -6.092 1.105 -8.376 1.00 71.22 C ATOM 0 H ALA A 70 -4.052 -0.134 -9.011 1.00 65.44 H new ATOM 0 HA ALA A 70 -6.088 -0.708 -7.239 1.00 60.13 H new ATOM 0 HB1 ALA A 70 -7.062 1.438 -8.008 1.00 71.22 H new ATOM 0 HB2 ALA A 70 -5.302 1.551 -7.772 1.00 71.22 H new ATOM 0 HB3 ALA A 70 -5.973 1.414 -9.415 1.00 71.22 H new ATOM 1113 N LYS A 71 -7.014 -1.251 -10.350 1.00 35.02 N ATOM 1114 CA LYS A 71 -8.059 -1.883 -11.164 1.00 54.11 C ATOM 1115 C LYS A 71 -8.293 -3.335 -10.730 1.00 31.24 C ATOM 1116 O LYS A 71 -9.376 -3.883 -10.914 1.00 33.04 O ATOM 1117 CB LYS A 71 -7.710 -1.825 -12.660 1.00 21.55 C ATOM 1118 CG LYS A 71 -6.424 -2.546 -13.039 1.00 43.14 C ATOM 1119 CD LYS A 71 -6.255 -2.607 -14.551 1.00 21.31 C ATOM 1120 CE LYS A 71 -4.942 -3.263 -14.951 1.00 71.20 C ATOM 1121 NZ LYS A 71 -3.765 -2.492 -14.477 1.00 61.30 N ATOM 0 H LYS A 71 -6.178 -0.982 -10.868 1.00 35.02 H new ATOM 0 HA LYS A 71 -8.980 -1.322 -11.005 1.00 54.11 H new ATOM 0 HB2 LYS A 71 -8.534 -2.256 -13.229 1.00 21.55 H new ATOM 0 HB3 LYS A 71 -7.627 -0.780 -12.960 1.00 21.55 H new ATOM 0 HG2 LYS A 71 -5.571 -2.033 -12.595 1.00 43.14 H new ATOM 0 HG3 LYS A 71 -6.436 -3.556 -12.630 1.00 43.14 H new ATOM 0 HD2 LYS A 71 -7.085 -3.163 -14.987 1.00 21.31 H new ATOM 0 HD3 LYS A 71 -6.296 -1.598 -14.962 1.00 21.31 H new ATOM 0 HE2 LYS A 71 -4.902 -4.272 -14.542 1.00 71.20 H new ATOM 0 HE3 LYS A 71 -4.900 -3.357 -16.036 1.00 71.20 H new ATOM 0 HZ1 LYS A 71 -2.894 -2.937 -14.829 1.00 61.30 H new ATOM 0 HZ2 LYS A 71 -3.823 -1.516 -14.832 1.00 61.30 H new ATOM 0 HZ3 LYS A 71 -3.753 -2.481 -13.437 1.00 61.30 H new ATOM 1135 N ALA A 72 -7.275 -3.939 -10.138 1.00 20.33 N ATOM 1136 CA ALA A 72 -7.355 -5.309 -9.662 1.00 4.43 C ATOM 1137 C ALA A 72 -7.558 -5.332 -8.150 1.00 31.55 C ATOM 1138 O ALA A 72 -7.268 -6.329 -7.489 1.00 53.01 O ATOM 1139 CB ALA A 72 -6.092 -6.070 -10.040 1.00 63.54 C ATOM 0 H ALA A 72 -6.372 -3.494 -9.975 1.00 20.33 H new ATOM 0 HA ALA A 72 -8.209 -5.795 -10.133 1.00 4.43 H new ATOM 0 HB1 ALA A 72 -6.163 -7.096 -9.678 1.00 63.54 H new ATOM 0 HB2 ALA A 72 -5.981 -6.075 -11.124 1.00 63.54 H new ATOM 0 HB3 ALA A 72 -5.226 -5.585 -9.589 1.00 63.54 H new ATOM 1145 N ARG A 73 -8.055 -4.212 -7.615 1.00 11.14 N ATOM 1146 CA ARG A 73 -8.339 -4.057 -6.177 1.00 42.22 C ATOM 1147 C ARG A 73 -7.058 -4.038 -5.347 1.00 22.21 C ATOM 1148 O ARG A 73 -7.084 -4.308 -4.148 1.00 31.11 O ATOM 1149 CB ARG A 73 -9.289 -5.159 -5.666 1.00 45.34 C ATOM 1150 CG ARG A 73 -10.630 -5.212 -6.387 1.00 41.55 C ATOM 1151 CD ARG A 73 -11.567 -6.241 -5.761 1.00 2.33 C ATOM 1152 NE ARG A 73 -10.977 -7.584 -5.721 1.00 42.33 N ATOM 1153 CZ ARG A 73 -11.680 -8.723 -5.737 1.00 65.15 C ATOM 1154 NH1 ARG A 73 -13.003 -8.699 -5.853 1.00 50.41 N ATOM 1155 NH2 ARG A 73 -11.058 -9.886 -5.651 1.00 32.03 N ATOM 0 H ARG A 73 -8.274 -3.382 -8.166 1.00 11.14 H new ATOM 0 HA ARG A 73 -8.835 -3.094 -6.057 1.00 42.22 H new ATOM 0 HB2 ARG A 73 -8.795 -6.125 -5.769 1.00 45.34 H new ATOM 0 HB3 ARG A 73 -9.467 -5.004 -4.602 1.00 45.34 H new ATOM 0 HG2 ARG A 73 -11.098 -4.228 -6.358 1.00 41.55 H new ATOM 0 HG3 ARG A 73 -10.469 -5.457 -7.437 1.00 41.55 H new ATOM 0 HD2 ARG A 73 -11.821 -5.928 -4.748 1.00 2.33 H new ATOM 0 HD3 ARG A 73 -12.498 -6.273 -6.327 1.00 2.33 H new ATOM 0 HE ARG A 73 -9.960 -7.655 -5.678 1.00 42.33 H new ATOM 0 HH11 ARG A 73 -13.492 -7.807 -5.931 1.00 50.41 H new ATOM 0 HH12 ARG A 73 -13.530 -9.572 -5.864 1.00 50.41 H new ATOM 0 HH21 ARG A 73 -10.041 -9.916 -5.572 1.00 32.03 H new ATOM 0 HH22 ARG A 73 -11.595 -10.753 -5.663 1.00 32.03 H new ATOM 1169 N GLY A 74 -5.941 -3.708 -5.992 1.00 34.11 N ATOM 1170 CA GLY A 74 -4.662 -3.656 -5.299 1.00 72.14 C ATOM 1171 C GLY A 74 -4.177 -5.032 -4.891 1.00 12.25 C ATOM 1172 O GLY A 74 -3.249 -5.164 -4.084 1.00 35.44 O ATOM 0 H GLY A 74 -5.898 -3.475 -6.984 1.00 34.11 H new ATOM 0 HA2 GLY A 74 -3.919 -3.187 -5.945 1.00 72.14 H new ATOM 0 HA3 GLY A 74 -4.756 -3.028 -4.413 1.00 72.14 H new ATOM 1176 N ASP A 75 -4.798 -6.052 -5.459 1.00 50.52 N ATOM 1177 CA ASP A 75 -4.481 -7.435 -5.147 1.00 2.54 C ATOM 1178 C ASP A 75 -3.201 -7.875 -5.835 1.00 12.03 C ATOM 1179 O ASP A 75 -3.039 -7.702 -7.048 1.00 63.41 O ATOM 1180 CB ASP A 75 -5.641 -8.344 -5.565 1.00 0.10 C ATOM 1181 CG ASP A 75 -5.368 -9.813 -5.309 1.00 41.22 C ATOM 1182 OD1 ASP A 75 -5.513 -10.254 -4.156 1.00 2.34 O ATOM 1183 OD2 ASP A 75 -5.025 -10.537 -6.267 1.00 70.43 O ATOM 0 H ASP A 75 -5.539 -5.944 -6.152 1.00 50.52 H new ATOM 0 HA ASP A 75 -4.329 -7.514 -4.070 1.00 2.54 H new ATOM 0 HB2 ASP A 75 -6.540 -8.048 -5.024 1.00 0.10 H new ATOM 0 HB3 ASP A 75 -5.845 -8.198 -6.626 1.00 0.10 H new ATOM 1188 N LEU A 76 -2.294 -8.430 -5.060 1.00 64.02 N ATOM 1189 CA LEU A 76 -1.039 -8.932 -5.582 1.00 15.42 C ATOM 1190 C LEU A 76 -0.926 -10.423 -5.317 1.00 24.51 C ATOM 1191 O LEU A 76 -1.754 -11.002 -4.606 1.00 2.43 O ATOM 1192 CB LEU A 76 0.153 -8.202 -4.954 1.00 62.34 C ATOM 1193 CG LEU A 76 0.257 -6.699 -5.228 1.00 32.22 C ATOM 1194 CD1 LEU A 76 1.486 -6.129 -4.540 1.00 12.42 C ATOM 1195 CD2 LEU A 76 0.311 -6.426 -6.725 1.00 21.14 C ATOM 0 H LEU A 76 -2.404 -8.546 -4.053 1.00 64.02 H new ATOM 0 HA LEU A 76 -1.023 -8.751 -6.657 1.00 15.42 H new ATOM 0 HB2 LEU A 76 0.113 -8.350 -3.875 1.00 62.34 H new ATOM 0 HB3 LEU A 76 1.068 -8.677 -5.307 1.00 62.34 H new ATOM 0 HG LEU A 76 -0.631 -6.211 -4.826 1.00 32.22 H new ATOM 0 HD11 LEU A 76 1.552 -5.060 -4.740 1.00 12.42 H new ATOM 0 HD12 LEU A 76 1.410 -6.293 -3.465 1.00 12.42 H new ATOM 0 HD13 LEU A 76 2.379 -6.625 -4.920 1.00 12.42 H new ATOM 0 HD21 LEU A 76 0.385 -5.352 -6.897 1.00 21.14 H new ATOM 0 HD22 LEU A 76 1.181 -6.923 -7.154 1.00 21.14 H new ATOM 0 HD23 LEU A 76 -0.594 -6.808 -7.197 1.00 21.14 H new ATOM 1207 N GLY A 77 0.083 -11.039 -5.889 1.00 40.43 N ATOM 1208 CA GLY A 77 0.285 -12.457 -5.704 1.00 64.30 C ATOM 1209 C GLY A 77 1.412 -12.743 -4.743 1.00 41.22 C ATOM 1210 O GLY A 77 2.007 -11.820 -4.191 1.00 14.31 O ATOM 0 H GLY A 77 0.774 -10.582 -6.484 1.00 40.43 H new ATOM 0 HA2 GLY A 77 -0.634 -12.909 -5.331 1.00 64.30 H new ATOM 0 HA3 GLY A 77 0.501 -12.922 -6.666 1.00 64.30 H new ATOM 1214 N ALA A 78 1.702 -14.013 -4.538 1.00 44.30 N ATOM 1215 CA ALA A 78 2.775 -14.416 -3.647 1.00 32.22 C ATOM 1216 C ALA A 78 4.126 -14.232 -4.323 1.00 3.52 C ATOM 1217 O ALA A 78 4.455 -14.941 -5.279 1.00 55.33 O ATOM 1218 CB ALA A 78 2.586 -15.862 -3.215 1.00 31.45 C ATOM 0 H ALA A 78 1.207 -14.788 -4.979 1.00 44.30 H new ATOM 0 HA ALA A 78 2.747 -13.783 -2.760 1.00 32.22 H new ATOM 0 HB1 ALA A 78 3.397 -16.151 -2.547 1.00 31.45 H new ATOM 0 HB2 ALA A 78 1.634 -15.965 -2.695 1.00 31.45 H new ATOM 0 HB3 ALA A 78 2.591 -16.508 -4.093 1.00 31.45 H new ATOM 1224 N PHE A 79 4.897 -13.278 -3.839 1.00 12.44 N ATOM 1225 CA PHE A 79 6.207 -12.989 -4.405 1.00 2.15 C ATOM 1226 C PHE A 79 7.292 -13.135 -3.350 1.00 2.41 C ATOM 1227 O PHE A 79 7.004 -13.138 -2.155 1.00 52.45 O ATOM 1228 CB PHE A 79 6.238 -11.572 -5.015 1.00 71.12 C ATOM 1229 CG PHE A 79 5.950 -10.458 -4.032 1.00 44.43 C ATOM 1230 CD1 PHE A 79 4.647 -10.053 -3.782 1.00 54.12 C ATOM 1231 CD2 PHE A 79 6.983 -9.815 -3.365 1.00 33.03 C ATOM 1232 CE1 PHE A 79 4.381 -9.033 -2.888 1.00 33.44 C ATOM 1233 CE2 PHE A 79 6.723 -8.795 -2.470 1.00 34.24 C ATOM 1234 CZ PHE A 79 5.420 -8.404 -2.231 1.00 74.15 C ATOM 0 H PHE A 79 4.640 -12.685 -3.050 1.00 12.44 H new ATOM 0 HA PHE A 79 6.399 -13.710 -5.200 1.00 2.15 H new ATOM 0 HB2 PHE A 79 7.219 -11.403 -5.459 1.00 71.12 H new ATOM 0 HB3 PHE A 79 5.509 -11.523 -5.824 1.00 71.12 H new ATOM 0 HD1 PHE A 79 3.830 -10.541 -4.292 1.00 54.12 H new ATOM 0 HD2 PHE A 79 8.004 -10.116 -3.548 1.00 33.03 H new ATOM 0 HE1 PHE A 79 3.361 -8.728 -2.703 1.00 33.44 H new ATOM 0 HE2 PHE A 79 7.537 -8.304 -1.958 1.00 34.24 H new ATOM 0 HZ PHE A 79 5.214 -7.607 -1.531 1.00 74.15 H new ATOM 1244 N SER A 80 8.528 -13.269 -3.792 1.00 23.22 N ATOM 1245 CA SER A 80 9.642 -13.384 -2.879 1.00 33.32 C ATOM 1246 C SER A 80 10.367 -12.045 -2.789 1.00 32.42 C ATOM 1247 O SER A 80 9.995 -11.087 -3.466 1.00 54.31 O ATOM 1248 CB SER A 80 10.603 -14.486 -3.338 1.00 64.11 C ATOM 1249 OG SER A 80 11.490 -14.858 -2.294 1.00 60.20 O ATOM 0 H SER A 80 8.783 -13.301 -4.779 1.00 23.22 H new ATOM 0 HA SER A 80 9.267 -13.654 -1.892 1.00 33.32 H new ATOM 0 HB2 SER A 80 10.034 -15.357 -3.663 1.00 64.11 H new ATOM 0 HB3 SER A 80 11.175 -14.139 -4.199 1.00 64.11 H new ATOM 0 HG SER A 80 11.014 -15.415 -1.643 1.00 60.20 H new ATOM 1255 N ARG A 81 11.398 -11.982 -1.969 1.00 73.33 N ATOM 1256 CA ARG A 81 12.140 -10.750 -1.793 1.00 73.44 C ATOM 1257 C ARG A 81 13.118 -10.517 -2.938 1.00 25.34 C ATOM 1258 O ARG A 81 13.540 -11.462 -3.622 1.00 63.50 O ATOM 1259 CB ARG A 81 12.844 -10.710 -0.431 1.00 24.23 C ATOM 1260 CG ARG A 81 13.628 -11.960 -0.080 1.00 11.22 C ATOM 1261 CD ARG A 81 14.237 -11.838 1.305 1.00 3.12 C ATOM 1262 NE ARG A 81 14.880 -13.073 1.740 1.00 12.55 N ATOM 1263 CZ ARG A 81 15.015 -13.442 3.017 1.00 1.21 C ATOM 1264 NH1 ARG A 81 14.562 -12.658 3.994 1.00 70.32 N ATOM 1265 NH2 ARG A 81 15.607 -14.592 3.311 1.00 12.42 N ATOM 0 H ARG A 81 11.740 -12.768 -1.416 1.00 73.33 H new ATOM 0 HA ARG A 81 11.421 -9.931 -1.811 1.00 73.44 H new ATOM 0 HB2 ARG A 81 13.522 -9.857 -0.414 1.00 24.23 H new ATOM 0 HB3 ARG A 81 12.096 -10.538 0.343 1.00 24.23 H new ATOM 0 HG2 ARG A 81 12.972 -12.830 -0.119 1.00 11.22 H new ATOM 0 HG3 ARG A 81 14.415 -12.121 -0.816 1.00 11.22 H new ATOM 0 HD2 ARG A 81 14.969 -11.030 1.307 1.00 3.12 H new ATOM 0 HD3 ARG A 81 13.459 -11.566 2.018 1.00 3.12 H new ATOM 0 HE ARG A 81 15.251 -13.696 1.022 1.00 12.55 H new ATOM 0 HH11 ARG A 81 14.110 -11.772 3.769 1.00 70.32 H new ATOM 0 HH12 ARG A 81 14.667 -12.944 4.967 1.00 70.32 H new ATOM 0 HH21 ARG A 81 15.957 -15.191 2.563 1.00 12.42 H new ATOM 0 HH22 ARG A 81 15.712 -14.877 4.285 1.00 12.42 H new ATOM 1279 N GLY A 82 13.462 -9.262 -3.146 1.00 21.34 N ATOM 1280 CA GLY A 82 14.329 -8.889 -4.232 1.00 11.32 C ATOM 1281 C GLY A 82 13.529 -8.412 -5.421 1.00 21.44 C ATOM 1282 O GLY A 82 13.992 -8.475 -6.562 1.00 3.22 O ATOM 0 H GLY A 82 13.148 -8.482 -2.569 1.00 21.34 H new ATOM 0 HA2 GLY A 82 15.008 -8.101 -3.906 1.00 11.32 H new ATOM 0 HA3 GLY A 82 14.944 -9.741 -4.521 1.00 11.32 H new ATOM 1286 N GLN A 83 12.324 -7.925 -5.152 1.00 34.43 N ATOM 1287 CA GLN A 83 11.416 -7.491 -6.201 1.00 31.01 C ATOM 1288 C GLN A 83 11.035 -6.015 -6.051 1.00 2.01 C ATOM 1289 O GLN A 83 11.067 -5.253 -7.025 1.00 31.43 O ATOM 1290 CB GLN A 83 10.141 -8.344 -6.186 1.00 65.34 C ATOM 1291 CG GLN A 83 10.361 -9.827 -6.439 1.00 41.12 C ATOM 1292 CD GLN A 83 10.924 -10.111 -7.814 1.00 50.41 C ATOM 1293 OE1 GLN A 83 12.139 -10.184 -8.000 1.00 54.04 O ATOM 1294 NE2 GLN A 83 10.050 -10.263 -8.785 1.00 15.41 N ATOM 0 H GLN A 83 11.953 -7.821 -4.208 1.00 34.43 H new ATOM 0 HA GLN A 83 11.937 -7.616 -7.150 1.00 31.01 H new ATOM 0 HB2 GLN A 83 9.652 -8.224 -5.219 1.00 65.34 H new ATOM 0 HB3 GLN A 83 9.455 -7.959 -6.940 1.00 65.34 H new ATOM 0 HG2 GLN A 83 11.041 -10.222 -5.684 1.00 41.12 H new ATOM 0 HG3 GLN A 83 9.414 -10.355 -6.323 1.00 41.12 H new ATOM 0 HE21 GLN A 83 9.052 -10.195 -8.588 1.00 15.41 H new ATOM 0 HE22 GLN A 83 10.371 -10.449 -9.735 1.00 15.41 H new ATOM 1303 N MET A 84 10.682 -5.610 -4.837 1.00 51.34 N ATOM 1304 CA MET A 84 10.204 -4.248 -4.598 1.00 62.35 C ATOM 1305 C MET A 84 11.193 -3.418 -3.788 1.00 21.33 C ATOM 1306 O MET A 84 12.294 -3.876 -3.456 1.00 24.35 O ATOM 1307 CB MET A 84 8.836 -4.259 -3.889 1.00 34.11 C ATOM 1308 CG MET A 84 7.642 -4.558 -4.797 1.00 43.35 C ATOM 1309 SD MET A 84 7.596 -6.259 -5.393 1.00 24.12 S ATOM 1310 CE MET A 84 6.096 -6.235 -6.372 1.00 32.14 C ATOM 0 H MET A 84 10.716 -6.199 -4.005 1.00 51.34 H new ATOM 0 HA MET A 84 10.100 -3.782 -5.578 1.00 62.35 H new ATOM 0 HB2 MET A 84 8.862 -5.002 -3.092 1.00 34.11 H new ATOM 0 HB3 MET A 84 8.680 -3.289 -3.416 1.00 34.11 H new ATOM 0 HG2 MET A 84 6.721 -4.347 -4.253 1.00 43.35 H new ATOM 0 HG3 MET A 84 7.669 -3.883 -5.652 1.00 43.35 H new ATOM 0 HE1 MET A 84 5.931 -7.220 -6.808 1.00 32.14 H new ATOM 0 HE2 MET A 84 5.250 -5.973 -5.736 1.00 32.14 H new ATOM 0 HE3 MET A 84 6.193 -5.497 -7.168 1.00 32.14 H new ATOM 1320 N GLN A 85 10.791 -2.177 -3.494 1.00 63.44 N ATOM 1321 CA GLN A 85 11.585 -1.260 -2.681 1.00 34.04 C ATOM 1322 C GLN A 85 11.692 -1.795 -1.262 1.00 34.50 C ATOM 1323 O GLN A 85 10.762 -2.428 -0.772 1.00 62.25 O ATOM 1324 CB GLN A 85 10.923 0.126 -2.647 1.00 32.12 C ATOM 1325 CG GLN A 85 10.790 0.798 -4.005 1.00 42.14 C ATOM 1326 CD GLN A 85 12.127 1.177 -4.605 1.00 35.34 C ATOM 1327 OE1 GLN A 85 12.738 0.396 -5.329 1.00 21.40 O ATOM 1328 NE2 GLN A 85 12.584 2.381 -4.316 1.00 71.32 N ATOM 0 H GLN A 85 9.906 -1.784 -3.814 1.00 63.44 H new ATOM 0 HA GLN A 85 12.579 -1.175 -3.119 1.00 34.04 H new ATOM 0 HB2 GLN A 85 9.931 0.030 -2.205 1.00 32.12 H new ATOM 0 HB3 GLN A 85 11.503 0.775 -1.990 1.00 32.12 H new ATOM 0 HG2 GLN A 85 10.268 0.128 -4.687 1.00 42.14 H new ATOM 0 HG3 GLN A 85 10.175 1.693 -3.904 1.00 42.14 H new ATOM 0 HE21 GLN A 85 12.045 2.999 -3.710 1.00 71.32 H new ATOM 0 HE22 GLN A 85 13.476 2.693 -4.699 1.00 71.32 H new ATOM 1337 N LYS A 86 12.811 -1.524 -0.603 1.00 51.21 N ATOM 1338 CA LYS A 86 13.045 -1.997 0.767 1.00 0.12 C ATOM 1339 C LYS A 86 11.893 -1.652 1.731 1.00 55.00 C ATOM 1340 O LYS A 86 11.347 -2.548 2.357 1.00 4.40 O ATOM 1341 CB LYS A 86 14.391 -1.495 1.318 1.00 40.53 C ATOM 1342 CG LYS A 86 15.562 -2.437 1.051 1.00 2.23 C ATOM 1343 CD LYS A 86 15.760 -2.689 -0.434 1.00 61.31 C ATOM 1344 CE LYS A 86 16.829 -3.740 -0.677 1.00 72.22 C ATOM 1345 NZ LYS A 86 16.996 -4.029 -2.119 1.00 72.14 N ATOM 0 H LYS A 86 13.578 -0.976 -0.992 1.00 51.21 H new ATOM 0 HA LYS A 86 13.085 -3.084 0.704 1.00 0.12 H new ATOM 0 HB2 LYS A 86 14.612 -0.523 0.877 1.00 40.53 H new ATOM 0 HB3 LYS A 86 14.298 -1.344 2.393 1.00 40.53 H new ATOM 0 HG2 LYS A 86 16.473 -2.012 1.472 1.00 2.23 H new ATOM 0 HG3 LYS A 86 15.388 -3.385 1.560 1.00 2.23 H new ATOM 0 HD2 LYS A 86 14.819 -3.014 -0.879 1.00 61.31 H new ATOM 0 HD3 LYS A 86 16.042 -1.759 -0.929 1.00 61.31 H new ATOM 0 HE2 LYS A 86 17.777 -3.397 -0.263 1.00 72.22 H new ATOM 0 HE3 LYS A 86 16.564 -4.657 -0.151 1.00 72.22 H new ATOM 0 HZ1 LYS A 86 17.734 -4.751 -2.245 1.00 72.14 H new ATOM 0 HZ2 LYS A 86 16.098 -4.380 -2.509 1.00 72.14 H new ATOM 0 HZ3 LYS A 86 17.274 -3.159 -2.617 1.00 72.14 H new ATOM 1359 N PRO A 87 11.485 -0.355 1.852 1.00 74.43 N ATOM 1360 CA PRO A 87 10.396 0.047 2.765 1.00 1.14 C ATOM 1361 C PRO A 87 9.085 -0.709 2.499 1.00 65.12 C ATOM 1362 O PRO A 87 8.274 -0.905 3.406 1.00 50.14 O ATOM 1363 CB PRO A 87 10.212 1.550 2.478 1.00 22.10 C ATOM 1364 CG PRO A 87 10.911 1.790 1.181 1.00 4.23 C ATOM 1365 CD PRO A 87 12.041 0.809 1.139 1.00 52.35 C ATOM 0 HA PRO A 87 10.646 -0.177 3.802 1.00 1.14 H new ATOM 0 HB2 PRO A 87 9.156 1.811 2.410 1.00 22.10 H new ATOM 0 HB3 PRO A 87 10.641 2.158 3.275 1.00 22.10 H new ATOM 0 HG2 PRO A 87 10.234 1.643 0.339 1.00 4.23 H new ATOM 0 HG3 PRO A 87 11.280 2.814 1.119 1.00 4.23 H new ATOM 0 HD2 PRO A 87 12.324 0.560 0.116 1.00 52.35 H new ATOM 0 HD3 PRO A 87 12.933 1.197 1.631 1.00 52.35 H new ATOM 1373 N PHE A 88 8.898 -1.141 1.260 1.00 73.23 N ATOM 1374 CA PHE A 88 7.688 -1.849 0.861 1.00 21.44 C ATOM 1375 C PHE A 88 7.855 -3.354 1.069 1.00 73.20 C ATOM 1376 O PHE A 88 7.042 -3.999 1.732 1.00 31.00 O ATOM 1377 CB PHE A 88 7.379 -1.547 -0.619 1.00 24.24 C ATOM 1378 CG PHE A 88 6.093 -2.151 -1.132 1.00 65.44 C ATOM 1379 CD1 PHE A 88 6.060 -3.454 -1.612 1.00 22.13 C ATOM 1380 CD2 PHE A 88 4.923 -1.412 -1.138 1.00 12.13 C ATOM 1381 CE1 PHE A 88 4.884 -4.004 -2.084 1.00 72.45 C ATOM 1382 CE2 PHE A 88 3.744 -1.958 -1.611 1.00 25.15 C ATOM 1383 CZ PHE A 88 3.725 -3.255 -2.084 1.00 30.04 C ATOM 0 H PHE A 88 9.574 -1.012 0.507 1.00 73.23 H new ATOM 0 HA PHE A 88 6.857 -1.508 1.479 1.00 21.44 H new ATOM 0 HB2 PHE A 88 7.336 -0.466 -0.754 1.00 24.24 H new ATOM 0 HB3 PHE A 88 8.205 -1.912 -1.230 1.00 24.24 H new ATOM 0 HD1 PHE A 88 6.964 -4.044 -1.616 1.00 22.13 H new ATOM 0 HD2 PHE A 88 4.931 -0.397 -0.769 1.00 12.13 H new ATOM 0 HE1 PHE A 88 4.872 -5.019 -2.453 1.00 72.45 H new ATOM 0 HE2 PHE A 88 2.838 -1.370 -1.610 1.00 25.15 H new ATOM 0 HZ PHE A 88 2.805 -3.683 -2.453 1.00 30.04 H new ATOM 1393 N GLU A 89 8.918 -3.891 0.510 1.00 71.31 N ATOM 1394 CA GLU A 89 9.207 -5.315 0.560 1.00 13.31 C ATOM 1395 C GLU A 89 9.405 -5.794 2.000 1.00 54.12 C ATOM 1396 O GLU A 89 8.836 -6.810 2.412 1.00 71.13 O ATOM 1397 CB GLU A 89 10.446 -5.594 -0.275 1.00 55.45 C ATOM 1398 CG GLU A 89 10.755 -7.054 -0.477 1.00 13.24 C ATOM 1399 CD GLU A 89 11.865 -7.247 -1.469 1.00 71.44 C ATOM 1400 OE1 GLU A 89 11.593 -7.202 -2.683 1.00 44.44 O ATOM 1401 OE2 GLU A 89 13.025 -7.437 -1.052 1.00 73.41 O ATOM 0 H GLU A 89 9.616 -3.348 0.001 1.00 71.31 H new ATOM 0 HA GLU A 89 8.358 -5.865 0.153 1.00 13.31 H new ATOM 0 HB2 GLU A 89 10.323 -5.125 -1.251 1.00 55.45 H new ATOM 0 HB3 GLU A 89 11.303 -5.118 0.202 1.00 55.45 H new ATOM 0 HG2 GLU A 89 11.034 -7.503 0.476 1.00 13.24 H new ATOM 0 HG3 GLU A 89 9.861 -7.572 -0.824 1.00 13.24 H new ATOM 1408 N ASP A 90 10.193 -5.046 2.761 1.00 70.43 N ATOM 1409 CA ASP A 90 10.457 -5.375 4.161 1.00 21.52 C ATOM 1410 C ASP A 90 9.158 -5.409 4.951 1.00 43.13 C ATOM 1411 O ASP A 90 8.936 -6.302 5.772 1.00 75.32 O ATOM 1412 CB ASP A 90 11.420 -4.351 4.774 1.00 34.13 C ATOM 1413 CG ASP A 90 11.657 -4.570 6.252 1.00 44.40 C ATOM 1414 OD1 ASP A 90 12.518 -5.404 6.603 1.00 32.13 O ATOM 1415 OD2 ASP A 90 10.991 -3.903 7.072 1.00 44.10 O ATOM 0 H ASP A 90 10.664 -4.203 2.433 1.00 70.43 H new ATOM 0 HA ASP A 90 10.918 -6.362 4.204 1.00 21.52 H new ATOM 0 HB2 ASP A 90 12.374 -4.398 4.248 1.00 34.13 H new ATOM 0 HB3 ASP A 90 11.021 -3.348 4.621 1.00 34.13 H new ATOM 1420 N ALA A 91 8.292 -4.446 4.671 1.00 64.23 N ATOM 1421 CA ALA A 91 7.004 -4.347 5.335 1.00 64.13 C ATOM 1422 C ALA A 91 6.097 -5.505 4.940 1.00 54.34 C ATOM 1423 O ALA A 91 5.333 -6.011 5.757 1.00 64.34 O ATOM 1424 CB ALA A 91 6.346 -3.026 4.998 1.00 54.22 C ATOM 0 H ALA A 91 8.463 -3.715 3.980 1.00 64.23 H new ATOM 0 HA ALA A 91 7.168 -4.398 6.411 1.00 64.13 H new ATOM 0 HB1 ALA A 91 5.381 -2.962 5.501 1.00 54.22 H new ATOM 0 HB2 ALA A 91 6.984 -2.207 5.330 1.00 54.22 H new ATOM 0 HB3 ALA A 91 6.199 -2.957 3.920 1.00 54.22 H new ATOM 1430 N SER A 92 6.196 -5.924 3.688 1.00 44.31 N ATOM 1431 CA SER A 92 5.387 -7.021 3.180 1.00 1.41 C ATOM 1432 C SER A 92 5.717 -8.324 3.910 1.00 63.41 C ATOM 1433 O SER A 92 4.820 -9.064 4.313 1.00 31.22 O ATOM 1434 CB SER A 92 5.602 -7.184 1.674 1.00 74.54 C ATOM 1435 OG SER A 92 5.310 -5.976 0.989 1.00 22.43 O ATOM 0 H SER A 92 6.832 -5.518 3.002 1.00 44.31 H new ATOM 0 HA SER A 92 4.338 -6.786 3.361 1.00 1.41 H new ATOM 0 HB2 SER A 92 6.634 -7.477 1.479 1.00 74.54 H new ATOM 0 HB3 SER A 92 4.966 -7.984 1.296 1.00 74.54 H new ATOM 0 HG SER A 92 5.898 -5.264 1.316 1.00 22.43 H new ATOM 1441 N PHE A 93 7.007 -8.586 4.094 1.00 13.10 N ATOM 1442 CA PHE A 93 7.453 -9.797 4.779 1.00 23.30 C ATOM 1443 C PHE A 93 7.218 -9.714 6.280 1.00 4.21 C ATOM 1444 O PHE A 93 7.183 -10.738 6.967 1.00 40.32 O ATOM 1445 CB PHE A 93 8.926 -10.082 4.484 1.00 21.31 C ATOM 1446 CG PHE A 93 9.154 -10.709 3.141 1.00 34.22 C ATOM 1447 CD1 PHE A 93 9.186 -9.936 1.993 1.00 53.41 C ATOM 1448 CD2 PHE A 93 9.329 -12.078 3.027 1.00 61.32 C ATOM 1449 CE1 PHE A 93 9.388 -10.516 0.759 1.00 62.40 C ATOM 1450 CE2 PHE A 93 9.533 -12.664 1.796 1.00 13.40 C ATOM 1451 CZ PHE A 93 9.562 -11.882 0.661 1.00 22.14 C ATOM 0 H PHE A 93 7.762 -7.977 3.779 1.00 13.10 H new ATOM 0 HA PHE A 93 6.856 -10.624 4.394 1.00 23.30 H new ATOM 0 HB2 PHE A 93 9.487 -9.149 4.541 1.00 21.31 H new ATOM 0 HB3 PHE A 93 9.323 -10.741 5.256 1.00 21.31 H new ATOM 0 HD1 PHE A 93 9.051 -8.867 2.065 1.00 53.41 H new ATOM 0 HD2 PHE A 93 9.305 -12.694 3.914 1.00 61.32 H new ATOM 0 HE1 PHE A 93 9.410 -9.903 -0.130 1.00 62.40 H new ATOM 0 HE2 PHE A 93 9.670 -13.733 1.721 1.00 13.40 H new ATOM 0 HZ PHE A 93 9.721 -12.338 -0.305 1.00 22.14 H new ATOM 1461 N ALA A 94 7.049 -8.502 6.785 1.00 64.31 N ATOM 1462 CA ALA A 94 6.797 -8.293 8.204 1.00 12.24 C ATOM 1463 C ALA A 94 5.384 -8.735 8.566 1.00 23.35 C ATOM 1464 O ALA A 94 5.087 -9.038 9.719 1.00 33.44 O ATOM 1465 CB ALA A 94 7.007 -6.833 8.567 1.00 31.02 C ATOM 0 H ALA A 94 7.082 -7.645 6.232 1.00 64.31 H new ATOM 0 HA ALA A 94 7.502 -8.897 8.774 1.00 12.24 H new ATOM 0 HB1 ALA A 94 6.815 -6.691 9.631 1.00 31.02 H new ATOM 0 HB2 ALA A 94 8.034 -6.546 8.342 1.00 31.02 H new ATOM 0 HB3 ALA A 94 6.322 -6.212 7.989 1.00 31.02 H new ATOM 1471 N LEU A 95 4.525 -8.775 7.570 1.00 54.13 N ATOM 1472 CA LEU A 95 3.152 -9.190 7.757 1.00 53.03 C ATOM 1473 C LEU A 95 3.027 -10.655 7.409 1.00 53.51 C ATOM 1474 O LEU A 95 3.071 -11.016 6.245 1.00 21.23 O ATOM 1475 CB LEU A 95 2.242 -8.371 6.854 1.00 22.11 C ATOM 1476 CG LEU A 95 2.501 -6.871 6.853 1.00 45.13 C ATOM 1477 CD1 LEU A 95 1.595 -6.180 5.859 1.00 44.31 C ATOM 1478 CD2 LEU A 95 2.316 -6.295 8.245 1.00 75.42 C ATOM 0 H LEU A 95 4.758 -8.521 6.610 1.00 54.13 H new ATOM 0 HA LEU A 95 2.860 -9.033 8.795 1.00 53.03 H new ATOM 0 HB2 LEU A 95 2.343 -8.741 5.834 1.00 22.11 H new ATOM 0 HB3 LEU A 95 1.209 -8.544 7.155 1.00 22.11 H new ATOM 0 HG LEU A 95 3.534 -6.698 6.551 1.00 45.13 H new ATOM 0 HD11 LEU A 95 1.793 -5.108 5.871 1.00 44.31 H new ATOM 0 HD12 LEU A 95 1.784 -6.573 4.860 1.00 44.31 H new ATOM 0 HD13 LEU A 95 0.554 -6.360 6.129 1.00 44.31 H new ATOM 0 HD21 LEU A 95 2.506 -5.222 8.223 1.00 75.42 H new ATOM 0 HD22 LEU A 95 1.295 -6.476 8.581 1.00 75.42 H new ATOM 0 HD23 LEU A 95 3.014 -6.773 8.932 1.00 75.42 H new ATOM 1490 N ARG A 96 2.882 -11.499 8.412 1.00 21.12 N ATOM 1491 CA ARG A 96 2.828 -12.938 8.178 1.00 70.33 C ATOM 1492 C ARG A 96 1.406 -13.452 7.949 1.00 75.21 C ATOM 1493 O ARG A 96 1.175 -14.252 7.043 1.00 51.43 O ATOM 1494 CB ARG A 96 3.531 -13.700 9.311 1.00 71.33 C ATOM 1495 CG ARG A 96 3.006 -13.389 10.700 1.00 51.33 C ATOM 1496 CD ARG A 96 4.061 -13.660 11.759 1.00 30.23 C ATOM 1497 NE ARG A 96 5.253 -12.832 11.545 1.00 54.24 N ATOM 1498 CZ ARG A 96 5.408 -11.587 12.018 1.00 22.43 C ATOM 1499 NH1 ARG A 96 4.477 -11.043 12.800 1.00 23.34 N ATOM 1500 NH2 ARG A 96 6.501 -10.894 11.722 1.00 53.55 N ATOM 0 H ARG A 96 2.800 -11.222 9.390 1.00 21.12 H new ATOM 0 HA ARG A 96 3.367 -13.129 7.250 1.00 70.33 H new ATOM 0 HB2 ARG A 96 3.430 -14.770 9.129 1.00 71.33 H new ATOM 0 HB3 ARG A 96 4.596 -13.471 9.279 1.00 71.33 H new ATOM 0 HG2 ARG A 96 2.697 -12.345 10.750 1.00 51.33 H new ATOM 0 HG3 ARG A 96 2.121 -13.993 10.901 1.00 51.33 H new ATOM 0 HD2 ARG A 96 3.648 -13.459 12.747 1.00 30.23 H new ATOM 0 HD3 ARG A 96 4.339 -14.714 11.738 1.00 30.23 H new ATOM 0 HE ARG A 96 6.016 -13.231 10.999 1.00 54.24 H new ATOM 0 HH11 ARG A 96 3.640 -11.574 13.042 1.00 23.34 H new ATOM 0 HH12 ARG A 96 4.601 -10.095 13.157 1.00 23.34 H new ATOM 0 HH21 ARG A 96 7.224 -11.309 11.134 1.00 53.55 H new ATOM 0 HH22 ARG A 96 6.618 -9.947 12.082 1.00 53.55 H new ATOM 1514 N THR A 97 0.455 -13.006 8.755 1.00 24.10 N ATOM 1515 CA THR A 97 -0.924 -13.463 8.605 1.00 2.45 C ATOM 1516 C THR A 97 -1.915 -12.435 9.147 1.00 43.12 C ATOM 1517 O THR A 97 -1.911 -12.123 10.343 1.00 33.23 O ATOM 1518 CB THR A 97 -1.145 -14.824 9.317 1.00 65.02 C ATOM 1519 OG1 THR A 97 -0.179 -15.776 8.850 1.00 15.15 O ATOM 1520 CG2 THR A 97 -2.544 -15.360 9.045 1.00 60.12 C ATOM 0 H THR A 97 0.606 -12.337 9.511 1.00 24.10 H new ATOM 0 HA THR A 97 -1.102 -13.590 7.537 1.00 2.45 H new ATOM 0 HB THR A 97 -1.030 -14.670 10.390 1.00 65.02 H new ATOM 0 HG1 THR A 97 -0.320 -16.634 9.302 1.00 15.15 H new ATOM 0 HG21 THR A 97 -2.673 -16.315 9.555 1.00 60.12 H new ATOM 0 HG22 THR A 97 -3.284 -14.649 9.412 1.00 60.12 H new ATOM 0 HG23 THR A 97 -2.678 -15.501 7.972 1.00 60.12 H new ATOM 1528 N GLY A 98 -2.753 -11.915 8.253 1.00 32.22 N ATOM 1529 CA GLY A 98 -3.770 -10.941 8.629 1.00 54.32 C ATOM 1530 C GLY A 98 -3.216 -9.761 9.405 1.00 3.20 C ATOM 1531 O GLY A 98 -3.597 -9.529 10.554 1.00 20.32 O ATOM 0 H GLY A 98 -2.746 -12.154 7.261 1.00 32.22 H new ATOM 0 HA2 GLY A 98 -4.263 -10.575 7.728 1.00 54.32 H new ATOM 0 HA3 GLY A 98 -4.532 -11.436 9.230 1.00 54.32 H new ATOM 1535 N GLU A 99 -2.311 -9.025 8.796 1.00 12.13 N ATOM 1536 CA GLU A 99 -1.731 -7.863 9.441 1.00 75.02 C ATOM 1537 C GLU A 99 -1.431 -6.782 8.415 1.00 35.23 C ATOM 1538 O GLU A 99 -1.211 -7.077 7.236 1.00 3.01 O ATOM 1539 CB GLU A 99 -0.462 -8.252 10.219 1.00 12.10 C ATOM 1540 CG GLU A 99 0.113 -7.132 11.085 1.00 23.12 C ATOM 1541 CD GLU A 99 -0.926 -6.494 11.990 1.00 24.22 C ATOM 1542 OE1 GLU A 99 -1.149 -7.004 13.111 1.00 1.20 O ATOM 1543 OE2 GLU A 99 -1.521 -5.475 11.588 1.00 45.13 O ATOM 0 H GLU A 99 -1.960 -9.209 7.856 1.00 12.13 H new ATOM 0 HA GLU A 99 -2.453 -7.465 10.154 1.00 75.02 H new ATOM 0 HB2 GLU A 99 -0.688 -9.108 10.855 1.00 12.10 H new ATOM 0 HB3 GLU A 99 0.300 -8.575 9.510 1.00 12.10 H new ATOM 0 HG2 GLU A 99 0.924 -7.531 11.695 1.00 23.12 H new ATOM 0 HG3 GLU A 99 0.546 -6.367 10.441 1.00 23.12 H new ATOM 1550 N MET A 100 -1.437 -5.543 8.867 1.00 52.32 N ATOM 1551 CA MET A 100 -1.192 -4.396 8.017 1.00 11.14 C ATOM 1552 C MET A 100 0.045 -3.651 8.503 1.00 41.31 C ATOM 1553 O MET A 100 0.199 -3.409 9.704 1.00 23.11 O ATOM 1554 CB MET A 100 -2.411 -3.471 8.035 1.00 53.10 C ATOM 1555 CG MET A 100 -2.306 -2.272 7.110 1.00 2.03 C ATOM 1556 SD MET A 100 -3.773 -1.221 7.169 1.00 61.22 S ATOM 1557 CE MET A 100 -5.033 -2.349 6.576 1.00 22.52 C ATOM 0 H MET A 100 -1.614 -5.303 9.843 1.00 52.32 H new ATOM 0 HA MET A 100 -1.021 -4.732 6.994 1.00 11.14 H new ATOM 0 HB2 MET A 100 -3.294 -4.049 7.761 1.00 53.10 H new ATOM 0 HB3 MET A 100 -2.566 -3.115 9.054 1.00 53.10 H new ATOM 0 HG2 MET A 100 -1.430 -1.683 7.382 1.00 2.03 H new ATOM 0 HG3 MET A 100 -2.152 -2.618 6.088 1.00 2.03 H new ATOM 0 HE1 MET A 100 -5.926 -1.786 6.304 1.00 22.52 H new ATOM 0 HE2 MET A 100 -4.661 -2.884 5.702 1.00 22.52 H new ATOM 0 HE3 MET A 100 -5.280 -3.064 7.361 1.00 22.52 H new ATOM 1567 N SER A 101 0.924 -3.301 7.578 1.00 52.03 N ATOM 1568 CA SER A 101 2.161 -2.612 7.917 1.00 25.42 C ATOM 1569 C SER A 101 1.893 -1.159 8.270 1.00 10.31 C ATOM 1570 O SER A 101 2.589 -0.569 9.098 1.00 31.31 O ATOM 1571 CB SER A 101 3.142 -2.700 6.751 1.00 55.14 C ATOM 1572 OG SER A 101 2.537 -2.254 5.546 1.00 41.14 O ATOM 0 H SER A 101 0.804 -3.483 6.582 1.00 52.03 H new ATOM 0 HA SER A 101 2.598 -3.098 8.789 1.00 25.42 H new ATOM 0 HB2 SER A 101 4.023 -2.096 6.966 1.00 55.14 H new ATOM 0 HB3 SER A 101 3.482 -3.729 6.633 1.00 55.14 H new ATOM 0 HG SER A 101 2.541 -1.274 5.521 1.00 41.14 H new ATOM 1578 N GLY A 102 0.890 -0.591 7.638 1.00 24.12 N ATOM 1579 CA GLY A 102 0.542 0.776 7.898 1.00 12.13 C ATOM 1580 C GLY A 102 1.036 1.700 6.811 1.00 41.25 C ATOM 1581 O GLY A 102 1.074 1.313 5.640 1.00 11.02 O ATOM 0 H GLY A 102 0.307 -1.058 6.944 1.00 24.12 H new ATOM 0 HA2 GLY A 102 -0.541 0.865 7.985 1.00 12.13 H new ATOM 0 HA3 GLY A 102 0.965 1.082 8.855 1.00 12.13 H new ATOM 1585 N PRO A 103 1.429 2.928 7.166 1.00 32.34 N ATOM 1586 CA PRO A 103 1.908 3.914 6.209 1.00 45.25 C ATOM 1587 C PRO A 103 3.335 3.641 5.745 1.00 12.04 C ATOM 1588 O PRO A 103 4.303 3.943 6.454 1.00 70.03 O ATOM 1589 CB PRO A 103 1.854 5.244 6.985 1.00 24.41 C ATOM 1590 CG PRO A 103 1.218 4.923 8.302 1.00 24.10 C ATOM 1591 CD PRO A 103 1.426 3.459 8.526 1.00 62.31 C ATOM 0 HA PRO A 103 1.303 3.907 5.302 1.00 45.25 H new ATOM 0 HB2 PRO A 103 2.853 5.657 7.124 1.00 24.41 H new ATOM 0 HB3 PRO A 103 1.274 5.990 6.442 1.00 24.41 H new ATOM 0 HG2 PRO A 103 1.670 5.507 9.104 1.00 24.10 H new ATOM 0 HG3 PRO A 103 0.156 5.167 8.290 1.00 24.10 H new ATOM 0 HD2 PRO A 103 2.364 3.257 9.043 1.00 62.31 H new ATOM 0 HD3 PRO A 103 0.630 3.024 9.130 1.00 62.31 H new ATOM 1599 N VAL A 104 3.460 3.052 4.576 1.00 63.22 N ATOM 1600 CA VAL A 104 4.756 2.798 3.986 1.00 72.13 C ATOM 1601 C VAL A 104 5.151 3.973 3.110 1.00 13.21 C ATOM 1602 O VAL A 104 4.640 4.131 1.996 1.00 3.44 O ATOM 1603 CB VAL A 104 4.752 1.508 3.137 1.00 1.20 C ATOM 1604 CG1 VAL A 104 6.114 1.271 2.505 1.00 11.35 C ATOM 1605 CG2 VAL A 104 4.332 0.314 3.980 1.00 1.00 C ATOM 0 H VAL A 104 2.672 2.737 4.011 1.00 63.22 H new ATOM 0 HA VAL A 104 5.475 2.669 4.795 1.00 72.13 H new ATOM 0 HB VAL A 104 4.026 1.631 2.334 1.00 1.20 H new ATOM 0 HG11 VAL A 104 6.086 0.357 1.912 1.00 11.35 H new ATOM 0 HG12 VAL A 104 6.368 2.113 1.861 1.00 11.35 H new ATOM 0 HG13 VAL A 104 6.866 1.173 3.288 1.00 11.35 H new ATOM 0 HG21 VAL A 104 4.335 -0.585 3.364 1.00 1.00 H new ATOM 0 HG22 VAL A 104 5.030 0.190 4.808 1.00 1.00 H new ATOM 0 HG23 VAL A 104 3.329 0.481 4.373 1.00 1.00 H new ATOM 1615 N PHE A 105 6.034 4.804 3.617 1.00 14.01 N ATOM 1616 CA PHE A 105 6.467 5.982 2.893 1.00 54.34 C ATOM 1617 C PHE A 105 7.417 5.613 1.769 1.00 4.44 C ATOM 1618 O PHE A 105 8.401 4.898 1.976 1.00 43.41 O ATOM 1619 CB PHE A 105 7.126 6.983 3.837 1.00 2.41 C ATOM 1620 CG PHE A 105 6.198 7.528 4.886 1.00 51.44 C ATOM 1621 CD1 PHE A 105 5.383 8.613 4.610 1.00 31.42 C ATOM 1622 CD2 PHE A 105 6.140 6.955 6.146 1.00 22.43 C ATOM 1623 CE1 PHE A 105 4.529 9.117 5.570 1.00 33.03 C ATOM 1624 CE2 PHE A 105 5.288 7.454 7.110 1.00 2.11 C ATOM 1625 CZ PHE A 105 4.482 8.536 6.821 1.00 53.12 C ATOM 0 H PHE A 105 6.469 4.686 4.532 1.00 14.01 H new ATOM 0 HA PHE A 105 5.584 6.447 2.454 1.00 54.34 H new ATOM 0 HB2 PHE A 105 7.972 6.503 4.328 1.00 2.41 H new ATOM 0 HB3 PHE A 105 7.525 7.812 3.252 1.00 2.41 H new ATOM 0 HD1 PHE A 105 5.416 9.070 3.632 1.00 31.42 H new ATOM 0 HD2 PHE A 105 6.769 6.108 6.376 1.00 22.43 H new ATOM 0 HE1 PHE A 105 3.899 9.964 5.343 1.00 33.03 H new ATOM 0 HE2 PHE A 105 5.252 6.999 8.089 1.00 2.11 H new ATOM 0 HZ PHE A 105 3.814 8.928 7.574 1.00 53.12 H new ATOM 1635 N THR A 106 7.103 6.078 0.580 1.00 54.11 N ATOM 1636 CA THR A 106 7.915 5.827 -0.586 1.00 41.45 C ATOM 1637 C THR A 106 7.853 7.043 -1.515 1.00 41.11 C ATOM 1638 O THR A 106 6.871 7.794 -1.496 1.00 44.45 O ATOM 1639 CB THR A 106 7.422 4.564 -1.336 1.00 11.15 C ATOM 1640 OG1 THR A 106 7.179 3.510 -0.395 1.00 15.30 O ATOM 1641 CG2 THR A 106 8.456 4.090 -2.346 1.00 34.41 C ATOM 0 H THR A 106 6.274 6.643 0.396 1.00 54.11 H new ATOM 0 HA THR A 106 8.944 5.656 -0.270 1.00 41.45 H new ATOM 0 HB THR A 106 6.504 4.821 -1.864 1.00 11.15 H new ATOM 0 HG1 THR A 106 7.021 2.671 -0.877 1.00 15.30 H new ATOM 0 HG21 THR A 106 8.084 3.202 -2.858 1.00 34.41 H new ATOM 0 HG22 THR A 106 8.641 4.879 -3.075 1.00 34.41 H new ATOM 0 HG23 THR A 106 9.385 3.849 -1.830 1.00 34.41 H new ATOM 1649 N ASP A 107 8.897 7.237 -2.309 1.00 45.23 N ATOM 1650 CA ASP A 107 8.992 8.381 -3.222 1.00 43.03 C ATOM 1651 C ASP A 107 7.810 8.449 -4.182 1.00 65.40 C ATOM 1652 O ASP A 107 7.298 9.529 -4.470 1.00 63.13 O ATOM 1653 CB ASP A 107 10.299 8.325 -4.010 1.00 42.44 C ATOM 1654 CG ASP A 107 11.513 8.392 -3.116 1.00 53.53 C ATOM 1655 OD1 ASP A 107 11.922 7.336 -2.582 1.00 44.02 O ATOM 1656 OD2 ASP A 107 12.062 9.498 -2.933 1.00 72.45 O ATOM 0 H ASP A 107 9.702 6.612 -2.343 1.00 45.23 H new ATOM 0 HA ASP A 107 8.974 9.283 -2.610 1.00 43.03 H new ATOM 0 HB2 ASP A 107 10.330 7.404 -4.592 1.00 42.44 H new ATOM 0 HB3 ASP A 107 10.328 9.152 -4.720 1.00 42.44 H new ATOM 1661 N SER A 108 7.384 7.298 -4.673 1.00 41.23 N ATOM 1662 CA SER A 108 6.260 7.227 -5.596 1.00 1.34 C ATOM 1663 C SER A 108 4.952 7.607 -4.889 1.00 52.42 C ATOM 1664 O SER A 108 4.050 8.194 -5.490 1.00 32.53 O ATOM 1665 CB SER A 108 6.155 5.816 -6.158 1.00 15.43 C ATOM 1666 OG SER A 108 7.448 5.268 -6.381 1.00 22.31 O ATOM 0 H SER A 108 7.801 6.395 -4.448 1.00 41.23 H new ATOM 0 HA SER A 108 6.427 7.934 -6.409 1.00 1.34 H new ATOM 0 HB2 SER A 108 5.601 5.183 -5.465 1.00 15.43 H new ATOM 0 HB3 SER A 108 5.595 5.832 -7.093 1.00 15.43 H new ATOM 0 HG SER A 108 7.361 4.360 -6.741 1.00 22.31 H new ATOM 1672 N GLY A 109 4.872 7.286 -3.614 1.00 72.22 N ATOM 1673 CA GLY A 109 3.689 7.568 -2.844 1.00 13.02 C ATOM 1674 C GLY A 109 3.659 6.750 -1.582 1.00 52.04 C ATOM 1675 O GLY A 109 4.555 5.939 -1.352 1.00 72.22 O ATOM 0 H GLY A 109 5.619 6.828 -3.092 1.00 72.22 H new ATOM 0 HA2 GLY A 109 3.657 8.629 -2.595 1.00 13.02 H new ATOM 0 HA3 GLY A 109 2.803 7.354 -3.441 1.00 13.02 H new ATOM 1679 N ILE A 110 2.648 6.946 -0.764 1.00 65.13 N ATOM 1680 CA ILE A 110 2.530 6.191 0.469 1.00 5.13 C ATOM 1681 C ILE A 110 1.739 4.919 0.210 1.00 54.03 C ATOM 1682 O ILE A 110 0.644 4.964 -0.356 1.00 32.42 O ATOM 1683 CB ILE A 110 1.854 7.014 1.590 1.00 32.20 C ATOM 1684 CG1 ILE A 110 2.558 8.368 1.749 1.00 51.22 C ATOM 1685 CG2 ILE A 110 1.893 6.239 2.907 1.00 34.03 C ATOM 1686 CD1 ILE A 110 1.918 9.276 2.777 1.00 5.21 C ATOM 0 H ILE A 110 1.898 7.618 -0.927 1.00 65.13 H new ATOM 0 HA ILE A 110 3.536 5.943 0.808 1.00 5.13 H new ATOM 0 HB ILE A 110 0.813 7.191 1.319 1.00 32.20 H new ATOM 0 HG12 ILE A 110 3.597 8.195 2.028 1.00 51.22 H new ATOM 0 HG13 ILE A 110 2.567 8.877 0.785 1.00 51.22 H new ATOM 0 HG21 ILE A 110 1.414 6.827 3.690 1.00 34.03 H new ATOM 0 HG22 ILE A 110 1.364 5.294 2.789 1.00 34.03 H new ATOM 0 HG23 ILE A 110 2.929 6.042 3.183 1.00 34.03 H new ATOM 0 HD11 ILE A 110 2.473 10.213 2.831 1.00 5.21 H new ATOM 0 HD12 ILE A 110 0.887 9.481 2.490 1.00 5.21 H new ATOM 0 HD13 ILE A 110 1.933 8.789 3.752 1.00 5.21 H new ATOM 1698 N HIS A 111 2.303 3.792 0.599 1.00 30.25 N ATOM 1699 CA HIS A 111 1.677 2.505 0.355 1.00 61.13 C ATOM 1700 C HIS A 111 1.130 1.911 1.640 1.00 23.34 C ATOM 1701 O HIS A 111 1.731 2.044 2.696 1.00 42.11 O ATOM 1702 CB HIS A 111 2.684 1.503 -0.251 1.00 23.12 C ATOM 1703 CG HIS A 111 3.355 1.943 -1.521 1.00 72.23 C ATOM 1704 ND1 HIS A 111 3.050 1.417 -2.760 1.00 41.01 N ATOM 1705 CD2 HIS A 111 4.356 2.827 -1.733 1.00 53.25 C ATOM 1706 CE1 HIS A 111 3.834 1.959 -3.671 1.00 63.24 C ATOM 1707 NE2 HIS A 111 4.635 2.816 -3.077 1.00 53.24 N ATOM 0 H HIS A 111 3.197 3.741 1.087 1.00 30.25 H new ATOM 0 HA HIS A 111 0.862 2.678 -0.347 1.00 61.13 H new ATOM 0 HB2 HIS A 111 3.454 1.295 0.492 1.00 23.12 H new ATOM 0 HB3 HIS A 111 2.164 0.564 -0.443 1.00 23.12 H new ATOM 0 HD2 HIS A 111 4.846 3.430 -0.983 1.00 53.25 H new ATOM 0 HE1 HIS A 111 3.821 1.736 -4.728 1.00 63.24 H new ATOM 0 HE2 HIS A 111 5.348 3.381 -3.539 1.00 53.24 H new ATOM 1716 N ILE A 112 -0.015 1.285 1.542 1.00 43.21 N ATOM 1717 CA ILE A 112 -0.577 0.535 2.644 1.00 14.51 C ATOM 1718 C ILE A 112 -0.508 -0.929 2.279 1.00 12.11 C ATOM 1719 O ILE A 112 -1.027 -1.332 1.238 1.00 64.14 O ATOM 1720 CB ILE A 112 -2.050 0.904 2.923 1.00 42.11 C ATOM 1721 CG1 ILE A 112 -2.200 2.409 3.123 1.00 52.42 C ATOM 1722 CG2 ILE A 112 -2.557 0.154 4.149 1.00 34.00 C ATOM 1723 CD1 ILE A 112 -3.627 2.852 3.383 1.00 1.11 C ATOM 0 H ILE A 112 -0.587 1.279 0.697 1.00 43.21 H new ATOM 0 HA ILE A 112 -0.008 0.767 3.544 1.00 14.51 H new ATOM 0 HB ILE A 112 -2.648 0.612 2.060 1.00 42.11 H new ATOM 0 HG12 ILE A 112 -1.575 2.719 3.960 1.00 52.42 H new ATOM 0 HG13 ILE A 112 -1.825 2.923 2.238 1.00 52.42 H new ATOM 0 HG21 ILE A 112 -3.597 0.423 4.336 1.00 34.00 H new ATOM 0 HG22 ILE A 112 -2.485 -0.920 3.974 1.00 34.00 H new ATOM 0 HG23 ILE A 112 -1.952 0.422 5.015 1.00 34.00 H new ATOM 0 HD11 ILE A 112 -3.654 3.934 3.515 1.00 1.11 H new ATOM 0 HD12 ILE A 112 -4.254 2.574 2.536 1.00 1.11 H new ATOM 0 HD13 ILE A 112 -4.000 2.367 4.285 1.00 1.11 H new ATOM 1735 N ILE A 113 0.150 -1.715 3.092 1.00 41.52 N ATOM 1736 CA ILE A 113 0.310 -3.120 2.794 1.00 61.42 C ATOM 1737 C ILE A 113 -0.442 -3.976 3.793 1.00 21.42 C ATOM 1738 O ILE A 113 -0.376 -3.746 5.004 1.00 0.05 O ATOM 1739 CB ILE A 113 1.799 -3.528 2.795 1.00 52.43 C ATOM 1740 CG1 ILE A 113 2.606 -2.585 1.905 1.00 15.52 C ATOM 1741 CG2 ILE A 113 1.960 -4.969 2.322 1.00 53.33 C ATOM 1742 CD1 ILE A 113 4.092 -2.830 1.961 1.00 3.45 C ATOM 0 H ILE A 113 0.583 -1.410 3.963 1.00 41.52 H new ATOM 0 HA ILE A 113 -0.101 -3.285 1.798 1.00 61.42 H new ATOM 0 HB ILE A 113 2.176 -3.456 3.815 1.00 52.43 H new ATOM 0 HG12 ILE A 113 2.267 -2.692 0.875 1.00 15.52 H new ATOM 0 HG13 ILE A 113 2.404 -1.556 2.202 1.00 15.52 H new ATOM 0 HG21 ILE A 113 3.016 -5.239 2.329 1.00 53.33 H new ATOM 0 HG22 ILE A 113 1.411 -5.634 2.989 1.00 53.33 H new ATOM 0 HG23 ILE A 113 1.568 -5.066 1.310 1.00 53.33 H new ATOM 0 HD11 ILE A 113 4.602 -2.125 1.305 1.00 3.45 H new ATOM 0 HD12 ILE A 113 4.445 -2.695 2.983 1.00 3.45 H new ATOM 0 HD13 ILE A 113 4.305 -3.848 1.635 1.00 3.45 H new ATOM 1754 N LEU A 114 -1.164 -4.947 3.282 1.00 43.24 N ATOM 1755 CA LEU A 114 -1.892 -5.881 4.106 1.00 12.41 C ATOM 1756 C LEU A 114 -1.606 -7.289 3.627 1.00 53.14 C ATOM 1757 O LEU A 114 -1.610 -7.547 2.424 1.00 23.55 O ATOM 1758 CB LEU A 114 -3.400 -5.598 4.016 1.00 24.51 C ATOM 1759 CG LEU A 114 -4.322 -6.570 4.768 1.00 23.20 C ATOM 1760 CD1 LEU A 114 -4.190 -6.396 6.269 1.00 23.01 C ATOM 1761 CD2 LEU A 114 -5.764 -6.381 4.334 1.00 14.55 C ATOM 0 H LEU A 114 -1.262 -5.111 2.280 1.00 43.24 H new ATOM 0 HA LEU A 114 -1.576 -5.773 5.144 1.00 12.41 H new ATOM 0 HB2 LEU A 114 -3.582 -4.592 4.394 1.00 24.51 H new ATOM 0 HB3 LEU A 114 -3.686 -5.600 2.964 1.00 24.51 H new ATOM 0 HG LEU A 114 -4.016 -7.586 4.518 1.00 23.20 H new ATOM 0 HD11 LEU A 114 -4.854 -7.096 6.776 1.00 23.01 H new ATOM 0 HD12 LEU A 114 -3.160 -6.590 6.569 1.00 23.01 H new ATOM 0 HD13 LEU A 114 -4.461 -5.376 6.542 1.00 23.01 H new ATOM 0 HD21 LEU A 114 -6.402 -7.078 4.877 1.00 14.55 H new ATOM 0 HD22 LEU A 114 -6.078 -5.359 4.549 1.00 14.55 H new ATOM 0 HD23 LEU A 114 -5.850 -6.570 3.264 1.00 14.55 H new ATOM 1773 N ARG A 115 -1.354 -8.195 4.550 1.00 65.44 N ATOM 1774 CA ARG A 115 -1.114 -9.575 4.182 1.00 12.24 C ATOM 1775 C ARG A 115 -2.431 -10.213 3.796 1.00 72.25 C ATOM 1776 O ARG A 115 -3.337 -10.318 4.623 1.00 14.11 O ATOM 1777 CB ARG A 115 -0.467 -10.352 5.337 1.00 54.05 C ATOM 1778 CG ARG A 115 -0.048 -11.778 4.973 1.00 22.31 C ATOM 1779 CD ARG A 115 1.117 -11.790 3.989 1.00 61.34 C ATOM 1780 NE ARG A 115 1.504 -13.151 3.587 1.00 11.34 N ATOM 1781 CZ ARG A 115 2.638 -13.765 3.965 1.00 55.13 C ATOM 1782 NH1 ARG A 115 3.474 -13.175 4.808 1.00 63.11 N ATOM 1783 NH2 ARG A 115 2.925 -14.967 3.492 1.00 63.12 N ATOM 0 H ARG A 115 -1.310 -8.003 5.551 1.00 65.44 H new ATOM 0 HA ARG A 115 -0.424 -9.603 3.338 1.00 12.24 H new ATOM 0 HB2 ARG A 115 0.410 -9.804 5.683 1.00 54.05 H new ATOM 0 HB3 ARG A 115 -1.168 -10.392 6.171 1.00 54.05 H new ATOM 0 HG2 ARG A 115 0.234 -12.316 5.878 1.00 22.31 H new ATOM 0 HG3 ARG A 115 -0.896 -12.307 4.539 1.00 22.31 H new ATOM 0 HD2 ARG A 115 0.845 -11.217 3.103 1.00 61.34 H new ATOM 0 HD3 ARG A 115 1.974 -11.291 4.441 1.00 61.34 H new ATOM 0 HE ARG A 115 0.867 -13.665 2.979 1.00 11.34 H new ATOM 0 HH11 ARG A 115 3.259 -12.248 5.175 1.00 63.11 H new ATOM 0 HH12 ARG A 115 4.333 -13.648 5.090 1.00 63.11 H new ATOM 0 HH21 ARG A 115 2.286 -15.425 2.842 1.00 63.12 H new ATOM 0 HH22 ARG A 115 3.785 -15.435 3.777 1.00 63.12 H new ATOM 1797 N THR A 116 -2.547 -10.612 2.543 1.00 3.42 N ATOM 1798 CA THR A 116 -3.765 -11.217 2.049 1.00 10.55 C ATOM 1799 C THR A 116 -3.953 -12.606 2.661 1.00 65.42 C ATOM 1800 O THR A 116 -5.056 -13.152 2.680 1.00 12.12 O ATOM 1801 CB THR A 116 -3.735 -11.321 0.518 1.00 70.02 C ATOM 1802 OG1 THR A 116 -2.978 -10.219 -0.016 1.00 34.32 O ATOM 1803 CG2 THR A 116 -5.147 -11.275 -0.046 1.00 50.24 C ATOM 0 H THR A 116 -1.806 -10.526 1.847 1.00 3.42 H new ATOM 0 HA THR A 116 -4.603 -10.584 2.340 1.00 10.55 H new ATOM 0 HB THR A 116 -3.273 -12.267 0.238 1.00 70.02 H new ATOM 0 HG1 THR A 116 -3.586 -9.584 -0.449 1.00 34.32 H new ATOM 0 HG21 THR A 116 -5.107 -11.350 -1.133 1.00 50.24 H new ATOM 0 HG22 THR A 116 -5.726 -12.107 0.354 1.00 50.24 H new ATOM 0 HG23 THR A 116 -5.621 -10.335 0.236 1.00 50.24 H new ATOM 1811 N GLU A 117 -2.863 -13.164 3.156 1.00 35.11 N ATOM 1812 CA GLU A 117 -2.891 -14.445 3.822 1.00 54.14 C ATOM 1813 C GLU A 117 -3.256 -14.259 5.289 1.00 63.53 C ATOM 1814 O GLU A 117 -4.161 -14.968 5.770 1.00 0.00 O ATOM 1815 CB GLU A 117 -1.545 -15.147 3.692 1.00 65.20 C ATOM 1816 CG GLU A 117 -1.190 -15.528 2.266 1.00 74.24 C ATOM 1817 CD GLU A 117 0.193 -16.115 2.157 1.00 34.11 C ATOM 1818 OE1 GLU A 117 0.401 -17.256 2.618 1.00 45.11 O ATOM 1819 OE2 GLU A 117 1.093 -15.427 1.631 1.00 34.31 O ATOM 1820 OXT GLU A 117 -2.668 -13.371 5.940 1.00 0.00 O ATOM 0 H GLU A 117 -1.937 -12.739 3.106 1.00 35.11 H new ATOM 0 HA GLU A 117 -3.647 -15.070 3.347 1.00 54.14 H new ATOM 0 HB2 GLU A 117 -0.766 -14.496 4.089 1.00 65.20 H new ATOM 0 HB3 GLU A 117 -1.554 -16.047 4.308 1.00 65.20 H new ATOM 0 HG2 GLU A 117 -1.918 -16.248 1.893 1.00 74.24 H new ATOM 0 HG3 GLU A 117 -1.259 -14.646 1.629 1.00 74.24 H new TER 1827 GLU A 117