USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 569 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 42 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 44 HIS : no HE2:sc= -0.831 K(o=-0.83,f=-4.7!) USER MOD Set 2.1: A 7 TYR OH : rot 62:sc= 1.02 USER MOD Set 2.2: A 34 HIS : no HD1:sc= 0.85 K(o=1.9,f=-0.63) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0923) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 62:sc= 0.993 USER MOD Single : A 15 THR OG1 : rot 31:sc= 0.441 USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 1.06 (180deg=1) USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.125 (180deg=-0.453) USER MOD Single : A 23 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.062) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -2.41! C(o=-2.4!,f=-8!) USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0244) USER MOD Single : A 39 SER OG : rot -93:sc= 1.64 USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 48 GLN : amide:sc= -2.4 K(o=-2.4,f=-0.06) USER MOD Single : A 51 MET CE :methyl -150:sc= 0 (180deg=-0.774) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= -0.198! (180deg=-1.02!) USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00895) USER MOD Single : A 57 TYR OH : rot 80:sc= 0.0756 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.39) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.07) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 70 HIS : no HD1:sc= -0.0214 X(o=-0.021,f=-0.0041) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -30.262 -13.650 -7.843 1.00 75.43 N ATOM 2 CA MET A 1 -28.957 -14.050 -7.245 1.00 43.44 C ATOM 3 C MET A 1 -28.766 -15.577 -7.289 1.00 44.03 C ATOM 4 O MET A 1 -29.728 -16.332 -7.147 1.00 1.35 O ATOM 5 CB MET A 1 -28.865 -13.578 -5.785 1.00 73.01 C ATOM 6 CG MET A 1 -29.014 -12.079 -5.595 1.00 21.32 C ATOM 7 SD MET A 1 -28.798 -11.595 -3.871 1.00 3.33 S ATOM 8 CE MET A 1 -29.199 -9.853 -3.953 1.00 40.11 C ATOM 0 H1 MET A 1 -30.311 -12.613 -7.907 1.00 75.43 H new ATOM 0 H2 MET A 1 -30.348 -14.060 -8.795 1.00 75.43 H new ATOM 0 H3 MET A 1 -31.039 -13.997 -7.245 1.00 75.43 H new ATOM 0 HA MET A 1 -28.172 -13.577 -7.835 1.00 43.44 H new ATOM 0 HB2 MET A 1 -29.637 -14.083 -5.204 1.00 73.01 H new ATOM 0 HB3 MET A 1 -27.904 -13.889 -5.376 1.00 73.01 H new ATOM 0 HG2 MET A 1 -28.281 -11.560 -6.212 1.00 21.32 H new ATOM 0 HG3 MET A 1 -30.000 -11.766 -5.939 1.00 21.32 H new ATOM 0 HE1 MET A 1 -29.110 -9.412 -2.960 1.00 40.11 H new ATOM 0 HE2 MET A 1 -28.511 -9.353 -4.635 1.00 40.11 H new ATOM 0 HE3 MET A 1 -30.220 -9.731 -4.314 1.00 40.11 H new ATOM 20 N PRO A 2 -27.523 -16.056 -7.499 1.00 50.52 N ATOM 21 CA PRO A 2 -27.204 -17.492 -7.407 1.00 4.44 C ATOM 22 C PRO A 2 -27.019 -17.953 -5.948 1.00 22.44 C ATOM 23 O PRO A 2 -26.771 -17.133 -5.060 1.00 10.41 O ATOM 24 CB PRO A 2 -25.888 -17.591 -8.183 1.00 40.42 C ATOM 25 CG PRO A 2 -25.221 -16.277 -7.940 1.00 61.24 C ATOM 26 CD PRO A 2 -26.333 -15.253 -7.861 1.00 45.21 C ATOM 0 HA PRO A 2 -27.998 -18.127 -7.800 1.00 4.44 H new ATOM 0 HB2 PRO A 2 -25.277 -18.420 -7.827 1.00 40.42 H new ATOM 0 HB3 PRO A 2 -26.064 -17.758 -9.246 1.00 40.42 H new ATOM 0 HG2 PRO A 2 -24.643 -16.298 -7.016 1.00 61.24 H new ATOM 0 HG3 PRO A 2 -24.526 -16.037 -8.745 1.00 61.24 H new ATOM 0 HD2 PRO A 2 -26.122 -14.489 -7.112 1.00 45.21 H new ATOM 0 HD3 PRO A 2 -26.471 -14.738 -8.811 1.00 45.21 H new ATOM 34 N THR A 3 -27.141 -19.257 -5.699 1.00 60.12 N ATOM 35 CA THR A 3 -26.990 -19.797 -4.337 1.00 64.40 C ATOM 36 C THR A 3 -25.528 -19.761 -3.864 1.00 25.13 C ATOM 37 O THR A 3 -24.624 -20.194 -4.581 1.00 61.42 O ATOM 38 CB THR A 3 -27.513 -21.252 -4.223 1.00 51.51 C ATOM 39 OG1 THR A 3 -26.825 -22.113 -5.147 1.00 42.23 O ATOM 40 CG2 THR A 3 -29.017 -21.324 -4.481 1.00 2.35 C ATOM 0 H THR A 3 -27.342 -19.958 -6.412 1.00 60.12 H new ATOM 0 HA THR A 3 -27.592 -19.151 -3.697 1.00 64.40 H new ATOM 0 HB THR A 3 -27.319 -21.589 -3.205 1.00 51.51 H new ATOM 0 HG1 THR A 3 -27.167 -23.027 -5.059 1.00 42.23 H new ATOM 0 HG21 THR A 3 -29.352 -22.358 -4.394 1.00 2.35 H new ATOM 0 HG22 THR A 3 -29.541 -20.709 -3.749 1.00 2.35 H new ATOM 0 HG23 THR A 3 -29.232 -20.957 -5.484 1.00 2.35 H new ATOM 48 N LYS A 4 -25.312 -19.242 -2.653 1.00 23.23 N ATOM 49 CA LYS A 4 -23.971 -19.150 -2.044 1.00 61.43 C ATOM 50 C LYS A 4 -23.031 -18.211 -2.831 1.00 52.21 C ATOM 51 O LYS A 4 -22.310 -18.645 -3.737 1.00 62.44 O ATOM 52 CB LYS A 4 -23.331 -20.543 -1.902 1.00 5.45 C ATOM 53 CG LYS A 4 -24.075 -21.482 -0.954 1.00 64.35 C ATOM 54 CD LYS A 4 -24.059 -20.969 0.483 1.00 21.11 C ATOM 55 CE LYS A 4 -24.749 -21.940 1.432 1.00 50.11 C ATOM 56 NZ LYS A 4 -24.729 -21.458 2.839 1.00 3.03 N ATOM 0 H LYS A 4 -26.057 -18.872 -2.063 1.00 23.23 H new ATOM 0 HA LYS A 4 -24.109 -18.721 -1.052 1.00 61.43 H new ATOM 0 HB2 LYS A 4 -23.277 -21.007 -2.887 1.00 5.45 H new ATOM 0 HB3 LYS A 4 -22.307 -20.425 -1.548 1.00 5.45 H new ATOM 0 HG2 LYS A 4 -25.106 -21.593 -1.288 1.00 64.35 H new ATOM 0 HG3 LYS A 4 -23.619 -22.472 -0.991 1.00 64.35 H new ATOM 0 HD2 LYS A 4 -23.029 -20.816 0.804 1.00 21.11 H new ATOM 0 HD3 LYS A 4 -24.555 -19.999 0.529 1.00 21.11 H new ATOM 0 HE2 LYS A 4 -25.781 -22.085 1.114 1.00 50.11 H new ATOM 0 HE3 LYS A 4 -24.258 -22.912 1.375 1.00 50.11 H new ATOM 0 HZ1 LYS A 4 -25.209 -22.149 3.450 1.00 3.03 H new ATOM 0 HZ2 LYS A 4 -23.744 -21.344 3.153 1.00 3.03 H new ATOM 0 HZ3 LYS A 4 -25.220 -20.543 2.900 1.00 3.03 H new ATOM 70 N PRO A 5 -23.027 -16.908 -2.492 1.00 42.25 N ATOM 71 CA PRO A 5 -22.163 -15.917 -3.156 1.00 51.14 C ATOM 72 C PRO A 5 -20.679 -16.061 -2.763 1.00 22.14 C ATOM 73 O PRO A 5 -20.355 -16.667 -1.738 1.00 43.34 O ATOM 74 CB PRO A 5 -22.732 -14.581 -2.659 1.00 30.20 C ATOM 75 CG PRO A 5 -23.311 -14.897 -1.320 1.00 43.20 C ATOM 76 CD PRO A 5 -23.855 -16.298 -1.429 1.00 53.31 C ATOM 0 HA PRO A 5 -22.168 -16.027 -4.240 1.00 51.14 H new ATOM 0 HB2 PRO A 5 -21.954 -13.821 -2.586 1.00 30.20 H new ATOM 0 HB3 PRO A 5 -23.492 -14.195 -3.339 1.00 30.20 H new ATOM 0 HG2 PRO A 5 -22.552 -14.832 -0.540 1.00 43.20 H new ATOM 0 HG3 PRO A 5 -24.099 -14.191 -1.058 1.00 43.20 H new ATOM 0 HD2 PRO A 5 -23.762 -16.839 -0.487 1.00 53.31 H new ATOM 0 HD3 PRO A 5 -24.912 -16.299 -1.694 1.00 53.31 H new ATOM 84 N PRO A 6 -19.753 -15.526 -3.588 1.00 32.45 N ATOM 85 CA PRO A 6 -18.307 -15.561 -3.291 1.00 0.21 C ATOM 86 C PRO A 6 -17.920 -14.699 -2.074 1.00 1.13 C ATOM 87 O PRO A 6 -18.667 -13.804 -1.669 1.00 40.33 O ATOM 88 CB PRO A 6 -17.657 -15.001 -4.575 1.00 42.43 C ATOM 89 CG PRO A 6 -18.729 -15.042 -5.615 1.00 52.12 C ATOM 90 CD PRO A 6 -20.026 -14.869 -4.877 1.00 15.53 C ATOM 0 HA PRO A 6 -17.980 -16.568 -3.033 1.00 0.21 H new ATOM 0 HB2 PRO A 6 -17.298 -13.983 -4.421 1.00 42.43 H new ATOM 0 HB3 PRO A 6 -16.797 -15.601 -4.874 1.00 42.43 H new ATOM 0 HG2 PRO A 6 -18.590 -14.250 -6.351 1.00 52.12 H new ATOM 0 HG3 PRO A 6 -18.711 -15.987 -6.157 1.00 52.12 H new ATOM 0 HD2 PRO A 6 -20.283 -13.817 -4.749 1.00 15.53 H new ATOM 0 HD3 PRO A 6 -20.857 -15.338 -5.403 1.00 15.53 H new ATOM 98 N TYR A 7 -16.753 -14.976 -1.497 1.00 33.25 N ATOM 99 CA TYR A 7 -16.249 -14.200 -0.354 1.00 13.30 C ATOM 100 C TYR A 7 -15.948 -12.737 -0.744 1.00 71.44 C ATOM 101 O TYR A 7 -15.560 -12.452 -1.882 1.00 32.12 O ATOM 102 CB TYR A 7 -14.985 -14.861 0.228 1.00 72.33 C ATOM 103 CG TYR A 7 -13.814 -14.940 -0.741 1.00 21.44 C ATOM 104 CD1 TYR A 7 -12.916 -13.881 -0.870 1.00 24.41 C ATOM 105 CD2 TYR A 7 -13.605 -16.067 -1.528 1.00 0.35 C ATOM 106 CE1 TYR A 7 -11.854 -13.948 -1.753 1.00 34.11 C ATOM 107 CE2 TYR A 7 -12.545 -16.140 -2.409 1.00 23.11 C ATOM 108 CZ TYR A 7 -11.675 -15.077 -2.519 1.00 13.31 C ATOM 109 OH TYR A 7 -10.616 -15.146 -3.399 1.00 4.50 O ATOM 0 H TYR A 7 -16.135 -15.730 -1.798 1.00 33.25 H new ATOM 0 HA TYR A 7 -17.032 -14.189 0.405 1.00 13.30 H new ATOM 0 HB2 TYR A 7 -14.673 -14.304 1.112 1.00 72.33 H new ATOM 0 HB3 TYR A 7 -15.236 -15.869 0.558 1.00 72.33 H new ATOM 0 HD1 TYR A 7 -13.052 -12.993 -0.270 1.00 24.41 H new ATOM 0 HD2 TYR A 7 -14.286 -16.902 -1.448 1.00 0.35 H new ATOM 0 HE1 TYR A 7 -11.168 -13.118 -1.841 1.00 34.11 H new ATOM 0 HE2 TYR A 7 -12.398 -17.026 -3.009 1.00 23.11 H new ATOM 0 HH TYR A 7 -9.773 -15.095 -2.901 1.00 4.50 H new ATOM 119 N PRO A 8 -16.124 -11.789 0.197 1.00 21.33 N ATOM 120 CA PRO A 8 -15.837 -10.364 -0.051 1.00 52.30 C ATOM 121 C PRO A 8 -14.331 -10.073 -0.210 1.00 2.40 C ATOM 122 O PRO A 8 -13.483 -10.797 0.318 1.00 10.15 O ATOM 123 CB PRO A 8 -16.394 -9.671 1.199 1.00 24.20 C ATOM 124 CG PRO A 8 -16.343 -10.715 2.262 1.00 74.44 C ATOM 125 CD PRO A 8 -16.622 -12.021 1.571 1.00 45.20 C ATOM 0 HA PRO A 8 -16.281 -10.018 -0.984 1.00 52.30 H new ATOM 0 HB2 PRO A 8 -15.796 -8.801 1.469 1.00 24.20 H new ATOM 0 HB3 PRO A 8 -17.413 -9.320 1.037 1.00 24.20 H new ATOM 0 HG2 PRO A 8 -15.367 -10.731 2.747 1.00 74.44 H new ATOM 0 HG3 PRO A 8 -17.082 -10.518 3.038 1.00 74.44 H new ATOM 0 HD2 PRO A 8 -16.104 -12.850 2.053 1.00 45.20 H new ATOM 0 HD3 PRO A 8 -17.685 -12.262 1.579 1.00 45.20 H new ATOM 133 N ARG A 9 -14.005 -9.007 -0.939 1.00 51.32 N ATOM 134 CA ARG A 9 -12.605 -8.636 -1.189 1.00 24.13 C ATOM 135 C ARG A 9 -11.991 -7.882 0.006 1.00 72.23 C ATOM 136 O ARG A 9 -12.659 -7.094 0.671 1.00 74.12 O ATOM 137 CB ARG A 9 -12.509 -7.773 -2.456 1.00 0.15 C ATOM 138 CG ARG A 9 -11.081 -7.369 -2.832 1.00 53.13 C ATOM 139 CD ARG A 9 -10.216 -8.576 -3.196 1.00 12.22 C ATOM 140 NE ARG A 9 -10.733 -9.288 -4.365 1.00 2.15 N ATOM 141 CZ ARG A 9 -10.129 -9.349 -5.523 1.00 52.25 C ATOM 142 NH1 ARG A 9 -8.957 -8.820 -5.693 1.00 11.21 N ATOM 143 NH2 ARG A 9 -10.694 -9.963 -6.509 1.00 61.12 N ATOM 0 H ARG A 9 -14.688 -8.383 -1.369 1.00 51.32 H new ATOM 0 HA ARG A 9 -12.038 -9.557 -1.328 1.00 24.13 H new ATOM 0 HB2 ARG A 9 -12.951 -8.319 -3.289 1.00 0.15 H new ATOM 0 HB3 ARG A 9 -13.105 -6.871 -2.314 1.00 0.15 H new ATOM 0 HG2 ARG A 9 -11.111 -6.678 -3.675 1.00 53.13 H new ATOM 0 HG3 ARG A 9 -10.625 -6.835 -1.998 1.00 53.13 H new ATOM 0 HD2 ARG A 9 -9.197 -8.245 -3.395 1.00 12.22 H new ATOM 0 HD3 ARG A 9 -10.170 -9.258 -2.347 1.00 12.22 H new ATOM 0 HE ARG A 9 -11.627 -9.770 -4.270 1.00 2.15 H new ATOM 0 HH11 ARG A 9 -8.493 -8.348 -4.917 1.00 11.21 H new ATOM 0 HH12 ARG A 9 -8.499 -8.876 -6.603 1.00 11.21 H new ATOM 0 HH21 ARG A 9 -11.608 -10.398 -6.383 1.00 61.12 H new ATOM 0 HH22 ARG A 9 -10.226 -10.013 -7.414 1.00 61.12 H new ATOM 157 N GLU A 10 -10.709 -8.134 0.267 1.00 64.31 N ATOM 158 CA GLU A 10 -9.989 -7.470 1.361 1.00 55.14 C ATOM 159 C GLU A 10 -8.684 -6.832 0.863 1.00 12.25 C ATOM 160 O GLU A 10 -8.038 -7.345 -0.054 1.00 11.30 O ATOM 161 CB GLU A 10 -9.685 -8.488 2.469 1.00 25.11 C ATOM 162 CG GLU A 10 -8.721 -9.592 2.034 1.00 22.41 C ATOM 163 CD GLU A 10 -8.632 -10.732 3.032 1.00 75.50 C ATOM 164 OE1 GLU A 10 -9.488 -11.640 2.973 1.00 45.54 O ATOM 165 OE2 GLU A 10 -7.710 -10.732 3.873 1.00 4.30 O ATOM 0 H GLU A 10 -10.143 -8.795 -0.265 1.00 64.31 H new ATOM 0 HA GLU A 10 -10.622 -6.675 1.756 1.00 55.14 H new ATOM 0 HB2 GLU A 10 -9.262 -7.965 3.327 1.00 25.11 H new ATOM 0 HB3 GLU A 10 -10.619 -8.942 2.801 1.00 25.11 H new ATOM 0 HG2 GLU A 10 -9.041 -9.986 1.069 1.00 22.41 H new ATOM 0 HG3 GLU A 10 -7.729 -9.164 1.891 1.00 22.41 H new ATOM 172 N ALA A 11 -8.307 -5.708 1.467 1.00 54.33 N ATOM 173 CA ALA A 11 -7.043 -5.032 1.150 1.00 72.12 C ATOM 174 C ALA A 11 -6.441 -4.375 2.401 1.00 51.22 C ATOM 175 O ALA A 11 -7.157 -4.048 3.344 1.00 20.43 O ATOM 176 CB ALA A 11 -7.252 -3.997 0.047 1.00 55.42 C ATOM 0 H ALA A 11 -8.861 -5.240 2.185 1.00 54.33 H new ATOM 0 HA ALA A 11 -6.338 -5.782 0.792 1.00 72.12 H new ATOM 0 HB1 ALA A 11 -6.305 -3.506 -0.175 1.00 55.42 H new ATOM 0 HB2 ALA A 11 -7.623 -4.492 -0.850 1.00 55.42 H new ATOM 0 HB3 ALA A 11 -7.977 -3.254 0.378 1.00 55.42 H new ATOM 182 N TYR A 12 -5.126 -4.185 2.407 1.00 71.22 N ATOM 183 CA TYR A 12 -4.436 -3.603 3.564 1.00 3.44 C ATOM 184 C TYR A 12 -3.192 -2.807 3.140 1.00 33.32 C ATOM 185 O TYR A 12 -2.670 -2.980 2.037 1.00 72.21 O ATOM 186 CB TYR A 12 -4.048 -4.708 4.559 1.00 52.22 C ATOM 187 CG TYR A 12 -3.137 -5.770 3.971 1.00 34.01 C ATOM 188 CD1 TYR A 12 -3.654 -6.825 3.224 1.00 75.31 C ATOM 189 CD2 TYR A 12 -1.758 -5.714 4.155 1.00 34.34 C ATOM 190 CE1 TYR A 12 -2.827 -7.791 2.686 1.00 42.44 C ATOM 191 CE2 TYR A 12 -0.927 -6.678 3.619 1.00 52.51 C ATOM 192 CZ TYR A 12 -1.465 -7.712 2.884 1.00 14.32 C ATOM 193 OH TYR A 12 -0.636 -8.671 2.350 1.00 52.33 O ATOM 0 H TYR A 12 -4.513 -4.423 1.627 1.00 71.22 H new ATOM 0 HA TYR A 12 -5.123 -2.909 4.048 1.00 3.44 H new ATOM 0 HB2 TYR A 12 -3.554 -4.254 5.418 1.00 52.22 H new ATOM 0 HB3 TYR A 12 -4.955 -5.185 4.929 1.00 52.22 H new ATOM 0 HD1 TYR A 12 -4.720 -6.889 3.063 1.00 75.31 H new ATOM 0 HD2 TYR A 12 -1.331 -4.903 4.726 1.00 34.34 H new ATOM 0 HE1 TYR A 12 -3.245 -8.605 2.113 1.00 42.44 H new ATOM 0 HE2 TYR A 12 0.140 -6.622 3.775 1.00 52.51 H new ATOM 0 HH TYR A 12 -0.707 -8.658 1.373 1.00 52.33 H new ATOM 203 N ILE A 13 -2.717 -1.939 4.031 1.00 14.40 N ATOM 204 CA ILE A 13 -1.562 -1.078 3.748 1.00 12.10 C ATOM 205 C ILE A 13 -0.273 -1.603 4.406 1.00 45.30 C ATOM 206 O ILE A 13 -0.276 -2.026 5.569 1.00 54.20 O ATOM 207 CB ILE A 13 -1.827 0.371 4.235 1.00 1.31 C ATOM 208 CG1 ILE A 13 -3.085 0.945 3.559 1.00 1.40 C ATOM 209 CG2 ILE A 13 -0.616 1.265 3.969 1.00 74.13 C ATOM 210 CD1 ILE A 13 -3.443 2.346 4.012 1.00 20.44 C ATOM 0 H ILE A 13 -3.114 -1.810 4.962 1.00 14.40 H new ATOM 0 HA ILE A 13 -1.423 -1.086 2.667 1.00 12.10 H new ATOM 0 HB ILE A 13 -1.996 0.343 5.311 1.00 1.31 H new ATOM 0 HG12 ILE A 13 -2.934 0.951 2.479 1.00 1.40 H new ATOM 0 HG13 ILE A 13 -3.927 0.283 3.760 1.00 1.40 H new ATOM 0 HG21 ILE A 13 -0.826 2.276 4.319 1.00 74.13 H new ATOM 0 HG22 ILE A 13 0.251 0.870 4.499 1.00 74.13 H new ATOM 0 HG23 ILE A 13 -0.408 1.287 2.899 1.00 74.13 H new ATOM 0 HD11 ILE A 13 -4.340 2.679 3.490 1.00 20.44 H new ATOM 0 HD12 ILE A 13 -3.627 2.345 5.086 1.00 20.44 H new ATOM 0 HD13 ILE A 13 -2.619 3.023 3.786 1.00 20.44 H new ATOM 222 N VAL A 14 0.829 -1.571 3.657 1.00 72.32 N ATOM 223 CA VAL A 14 2.148 -1.966 4.174 1.00 64.25 C ATOM 224 C VAL A 14 3.135 -0.790 4.107 1.00 32.33 C ATOM 225 O VAL A 14 3.322 -0.187 3.053 1.00 32.30 O ATOM 226 CB VAL A 14 2.731 -3.168 3.382 1.00 64.21 C ATOM 227 CG1 VAL A 14 4.121 -3.550 3.904 1.00 3.42 C ATOM 228 CG2 VAL A 14 1.774 -4.359 3.441 1.00 44.32 C ATOM 0 H VAL A 14 0.838 -1.274 2.681 1.00 72.32 H new ATOM 0 HA VAL A 14 2.009 -2.264 5.213 1.00 64.25 H new ATOM 0 HB VAL A 14 2.842 -2.870 2.339 1.00 64.21 H new ATOM 0 HG11 VAL A 14 4.505 -4.394 3.332 1.00 3.42 H new ATOM 0 HG12 VAL A 14 4.796 -2.701 3.796 1.00 3.42 H new ATOM 0 HG13 VAL A 14 4.051 -3.827 4.956 1.00 3.42 H new ATOM 0 HG21 VAL A 14 2.197 -5.193 2.881 1.00 44.32 H new ATOM 0 HG22 VAL A 14 1.626 -4.656 4.479 1.00 44.32 H new ATOM 0 HG23 VAL A 14 0.816 -4.078 3.004 1.00 44.32 H new ATOM 238 N THR A 15 3.759 -0.469 5.234 1.00 31.30 N ATOM 239 CA THR A 15 4.712 0.649 5.300 1.00 43.31 C ATOM 240 C THR A 15 6.129 0.208 4.908 1.00 12.51 C ATOM 241 O THR A 15 6.750 -0.594 5.604 1.00 2.34 O ATOM 242 CB THR A 15 4.759 1.262 6.720 1.00 30.33 C ATOM 243 OG1 THR A 15 5.060 0.241 7.689 1.00 72.43 O ATOM 244 CG2 THR A 15 3.434 1.930 7.076 1.00 74.13 C ATOM 0 H THR A 15 3.627 -0.962 6.117 1.00 31.30 H new ATOM 0 HA THR A 15 4.361 1.398 4.590 1.00 43.31 H new ATOM 0 HB THR A 15 5.542 2.020 6.733 1.00 30.33 H new ATOM 0 HG1 THR A 15 5.621 -0.447 7.275 1.00 72.43 H new ATOM 0 HG21 THR A 15 3.497 2.352 8.079 1.00 74.13 H new ATOM 0 HG22 THR A 15 3.224 2.725 6.361 1.00 74.13 H new ATOM 0 HG23 THR A 15 2.633 1.191 7.043 1.00 74.13 H new ATOM 252 N ILE A 16 6.637 0.734 3.793 1.00 4.15 N ATOM 253 CA ILE A 16 7.989 0.393 3.325 1.00 75.34 C ATOM 254 C ILE A 16 8.942 1.595 3.404 1.00 51.25 C ATOM 255 O ILE A 16 8.516 2.737 3.604 1.00 23.31 O ATOM 256 CB ILE A 16 7.981 -0.129 1.865 1.00 24.43 C ATOM 257 CG1 ILE A 16 7.559 0.988 0.894 1.00 2.41 C ATOM 258 CG2 ILE A 16 7.056 -1.340 1.739 1.00 65.31 C ATOM 259 CD1 ILE A 16 7.749 0.635 -0.566 1.00 2.14 C ATOM 0 H ILE A 16 6.139 1.395 3.197 1.00 4.15 H new ATOM 0 HA ILE A 16 8.342 -0.395 3.990 1.00 75.34 H new ATOM 0 HB ILE A 16 8.991 -0.442 1.601 1.00 24.43 H new ATOM 0 HG12 ILE A 16 6.510 1.229 1.066 1.00 2.41 H new ATOM 0 HG13 ILE A 16 8.133 1.887 1.118 1.00 2.41 H new ATOM 0 HG21 ILE A 16 7.060 -1.696 0.709 1.00 65.31 H new ATOM 0 HG22 ILE A 16 7.405 -2.135 2.399 1.00 65.31 H new ATOM 0 HG23 ILE A 16 6.042 -1.054 2.020 1.00 65.31 H new ATOM 0 HD11 ILE A 16 7.429 1.472 -1.187 1.00 2.14 H new ATOM 0 HD12 ILE A 16 8.801 0.424 -0.755 1.00 2.14 H new ATOM 0 HD13 ILE A 16 7.153 -0.245 -0.808 1.00 2.14 H new ATOM 271 N GLU A 17 10.229 1.324 3.221 1.00 4.41 N ATOM 272 CA GLU A 17 11.268 2.358 3.272 1.00 54.13 C ATOM 273 C GLU A 17 11.944 2.545 1.899 1.00 22.01 C ATOM 274 O GLU A 17 12.446 1.588 1.306 1.00 14.51 O ATOM 275 CB GLU A 17 12.332 1.980 4.316 1.00 22.24 C ATOM 276 CG GLU A 17 12.924 0.585 4.105 1.00 40.35 C ATOM 277 CD GLU A 17 14.232 0.371 4.849 1.00 2.31 C ATOM 278 OE1 GLU A 17 15.293 0.754 4.307 1.00 3.21 O ATOM 279 OE2 GLU A 17 14.211 -0.187 5.970 1.00 44.32 O ATOM 0 H GLU A 17 10.586 0.387 3.034 1.00 4.41 H new ATOM 0 HA GLU A 17 10.790 3.297 3.551 1.00 54.13 H new ATOM 0 HB2 GLU A 17 13.136 2.716 4.287 1.00 22.24 H new ATOM 0 HB3 GLU A 17 11.889 2.032 5.310 1.00 22.24 H new ATOM 0 HG2 GLU A 17 12.201 -0.163 4.432 1.00 40.35 H new ATOM 0 HG3 GLU A 17 13.089 0.425 3.040 1.00 40.35 H new ATOM 286 N LYS A 18 11.945 3.776 1.393 1.00 52.41 N ATOM 287 CA LYS A 18 12.702 4.114 0.177 1.00 2.14 C ATOM 288 C LYS A 18 13.760 5.192 0.470 1.00 60.45 C ATOM 289 O LYS A 18 13.663 5.916 1.459 1.00 73.40 O ATOM 290 CB LYS A 18 11.761 4.585 -0.948 1.00 3.23 C ATOM 291 CG LYS A 18 10.825 3.494 -1.472 1.00 63.43 C ATOM 292 CD LYS A 18 10.069 3.933 -2.729 1.00 53.23 C ATOM 293 CE LYS A 18 9.180 2.818 -3.275 1.00 72.11 C ATOM 294 NZ LYS A 18 8.550 3.181 -4.575 1.00 0.32 N ATOM 0 H LYS A 18 11.433 4.559 1.801 1.00 52.41 H new ATOM 0 HA LYS A 18 13.211 3.210 -0.156 1.00 2.14 H new ATOM 0 HB2 LYS A 18 11.162 5.419 -0.582 1.00 3.23 H new ATOM 0 HB3 LYS A 18 12.361 4.963 -1.776 1.00 3.23 H new ATOM 0 HG2 LYS A 18 11.404 2.597 -1.693 1.00 63.43 H new ATOM 0 HG3 LYS A 18 10.109 3.228 -0.694 1.00 63.43 H new ATOM 0 HD2 LYS A 18 9.458 4.806 -2.499 1.00 53.23 H new ATOM 0 HD3 LYS A 18 10.783 4.237 -3.495 1.00 53.23 H new ATOM 0 HE2 LYS A 18 9.774 1.913 -3.402 1.00 72.11 H new ATOM 0 HE3 LYS A 18 8.401 2.589 -2.548 1.00 72.11 H new ATOM 0 HZ1 LYS A 18 7.842 2.463 -4.830 1.00 0.32 H new ATOM 0 HZ2 LYS A 18 8.088 4.109 -4.490 1.00 0.32 H new ATOM 0 HZ3 LYS A 18 9.280 3.225 -5.314 1.00 0.32 H new ATOM 308 N GLY A 19 14.769 5.293 -0.392 1.00 23.14 N ATOM 309 CA GLY A 19 15.836 6.276 -0.202 1.00 32.35 C ATOM 310 C GLY A 19 17.108 5.682 0.401 1.00 65.52 C ATOM 311 O GLY A 19 17.459 4.528 0.131 1.00 61.23 O ATOM 0 H GLY A 19 14.871 4.711 -1.224 1.00 23.14 H new ATOM 0 HA2 GLY A 19 16.076 6.731 -1.163 1.00 32.35 H new ATOM 0 HA3 GLY A 19 15.474 7.074 0.446 1.00 32.35 H new ATOM 315 N LYS A 20 17.803 6.473 1.214 1.00 20.31 N ATOM 316 CA LYS A 20 19.093 6.067 1.793 1.00 44.24 C ATOM 317 C LYS A 20 18.932 5.466 3.201 1.00 42.10 C ATOM 318 O LYS A 20 18.034 5.852 3.949 1.00 62.33 O ATOM 319 CB LYS A 20 20.033 7.278 1.862 1.00 61.23 C ATOM 320 CG LYS A 20 20.292 7.929 0.507 1.00 13.10 C ATOM 321 CD LYS A 20 21.141 9.192 0.631 1.00 14.33 C ATOM 322 CE LYS A 20 21.308 9.886 -0.713 1.00 20.21 C ATOM 323 NZ LYS A 20 19.997 10.238 -1.325 1.00 73.34 N ATOM 0 H LYS A 20 17.497 7.406 1.492 1.00 20.31 H new ATOM 0 HA LYS A 20 19.514 5.297 1.147 1.00 44.24 H new ATOM 0 HB2 LYS A 20 19.606 8.020 2.537 1.00 61.23 H new ATOM 0 HB3 LYS A 20 20.984 6.965 2.293 1.00 61.23 H new ATOM 0 HG2 LYS A 20 20.795 7.217 -0.147 1.00 13.10 H new ATOM 0 HG3 LYS A 20 19.341 8.177 0.036 1.00 13.10 H new ATOM 0 HD2 LYS A 20 20.675 9.877 1.340 1.00 14.33 H new ATOM 0 HD3 LYS A 20 22.121 8.935 1.033 1.00 14.33 H new ATOM 0 HE2 LYS A 20 21.902 10.791 -0.583 1.00 20.21 H new ATOM 0 HE3 LYS A 20 21.862 9.236 -1.391 1.00 20.21 H new ATOM 0 HZ1 LYS A 20 20.142 10.946 -2.073 1.00 73.34 H new ATOM 0 HZ2 LYS A 20 19.565 9.385 -1.734 1.00 73.34 H new ATOM 0 HZ3 LYS A 20 19.367 10.629 -0.596 1.00 73.34 H new ATOM 337 N PRO A 21 19.813 4.516 3.586 1.00 63.21 N ATOM 338 CA PRO A 21 19.799 3.934 4.941 1.00 44.23 C ATOM 339 C PRO A 21 19.932 5.011 6.035 1.00 54.43 C ATOM 340 O PRO A 21 20.887 5.795 6.037 1.00 65.12 O ATOM 341 CB PRO A 21 21.020 3.000 4.941 1.00 5.22 C ATOM 342 CG PRO A 21 21.261 2.687 3.501 1.00 23.03 C ATOM 343 CD PRO A 21 20.877 3.931 2.745 1.00 31.11 C ATOM 0 HA PRO A 21 18.862 3.422 5.161 1.00 44.23 H new ATOM 0 HB2 PRO A 21 21.887 3.483 5.391 1.00 5.22 H new ATOM 0 HB3 PRO A 21 20.825 2.094 5.515 1.00 5.22 H new ATOM 0 HG2 PRO A 21 22.305 2.429 3.326 1.00 23.03 H new ATOM 0 HG3 PRO A 21 20.664 1.834 3.180 1.00 23.03 H new ATOM 0 HD2 PRO A 21 21.721 4.611 2.631 1.00 31.11 H new ATOM 0 HD3 PRO A 21 20.517 3.699 1.742 1.00 31.11 H new ATOM 351 N GLY A 22 18.978 5.047 6.962 1.00 32.51 N ATOM 352 CA GLY A 22 18.951 6.095 7.976 1.00 73.25 C ATOM 353 C GLY A 22 18.044 7.259 7.585 1.00 40.45 C ATOM 354 O GLY A 22 17.167 7.664 8.349 1.00 11.52 O ATOM 0 H GLY A 22 18.220 4.368 7.031 1.00 32.51 H new ATOM 0 HA2 GLY A 22 18.610 5.673 8.921 1.00 73.25 H new ATOM 0 HA3 GLY A 22 19.963 6.465 8.139 1.00 73.25 H new ATOM 358 N GLN A 23 18.264 7.804 6.393 1.00 21.44 N ATOM 359 CA GLN A 23 17.428 8.887 5.859 1.00 22.30 C ATOM 360 C GLN A 23 16.394 8.340 4.861 1.00 12.15 C ATOM 361 O GLN A 23 16.434 8.649 3.666 1.00 32.32 O ATOM 362 CB GLN A 23 18.306 9.953 5.186 1.00 1.01 C ATOM 363 CG GLN A 23 19.305 10.619 6.127 1.00 21.13 C ATOM 364 CD GLN A 23 18.634 11.365 7.266 1.00 12.31 C ATOM 365 OE1 GLN A 23 18.305 12.543 7.145 1.00 2.13 O ATOM 366 NE2 GLN A 23 18.427 10.694 8.381 1.00 64.31 N ATOM 0 H GLN A 23 19.018 7.515 5.770 1.00 21.44 H new ATOM 0 HA GLN A 23 16.891 9.345 6.689 1.00 22.30 H new ATOM 0 HB2 GLN A 23 18.850 9.493 4.361 1.00 1.01 H new ATOM 0 HB3 GLN A 23 17.662 10.720 4.755 1.00 1.01 H new ATOM 0 HG2 GLN A 23 19.971 9.860 6.538 1.00 21.13 H new ATOM 0 HG3 GLN A 23 19.925 11.313 5.559 1.00 21.13 H new ATOM 0 HE21 GLN A 23 18.712 9.717 8.449 1.00 64.31 H new ATOM 0 HE22 GLN A 23 17.982 11.152 9.176 1.00 64.31 H new ATOM 375 N THR A 24 15.473 7.515 5.357 1.00 71.34 N ATOM 376 CA THR A 24 14.482 6.849 4.501 1.00 24.42 C ATOM 377 C THR A 24 13.182 7.654 4.375 1.00 23.43 C ATOM 378 O THR A 24 12.954 8.622 5.102 1.00 41.11 O ATOM 379 CB THR A 24 14.130 5.435 5.032 1.00 52.14 C ATOM 380 OG1 THR A 24 13.528 5.529 6.332 1.00 51.34 O ATOM 381 CG2 THR A 24 15.369 4.549 5.111 1.00 73.32 C ATOM 0 H THR A 24 15.389 7.289 6.348 1.00 71.34 H new ATOM 0 HA THR A 24 14.948 6.772 3.519 1.00 24.42 H new ATOM 0 HB THR A 24 13.425 4.985 4.333 1.00 52.14 H new ATOM 0 HG1 THR A 24 13.308 4.631 6.657 1.00 51.34 H new ATOM 0 HG21 THR A 24 15.089 3.565 5.487 1.00 73.32 H new ATOM 0 HG22 THR A 24 15.807 4.447 4.118 1.00 73.32 H new ATOM 0 HG23 THR A 24 16.097 5.001 5.785 1.00 73.32 H new ATOM 389 N VAL A 25 12.344 7.251 3.425 1.00 74.44 N ATOM 390 CA VAL A 25 11.017 7.842 3.229 1.00 11.21 C ATOM 391 C VAL A 25 9.942 6.747 3.287 1.00 72.35 C ATOM 392 O VAL A 25 10.011 5.761 2.549 1.00 0.14 O ATOM 393 CB VAL A 25 10.920 8.575 1.866 1.00 24.21 C ATOM 394 CG1 VAL A 25 9.547 9.222 1.686 1.00 2.44 C ATOM 395 CG2 VAL A 25 12.029 9.617 1.729 1.00 14.23 C ATOM 0 H VAL A 25 12.563 6.504 2.766 1.00 74.44 H new ATOM 0 HA VAL A 25 10.856 8.567 4.026 1.00 11.21 H new ATOM 0 HB VAL A 25 11.049 7.833 1.078 1.00 24.21 H new ATOM 0 HG11 VAL A 25 9.507 9.729 0.722 1.00 2.44 H new ATOM 0 HG12 VAL A 25 8.775 8.454 1.724 1.00 2.44 H new ATOM 0 HG13 VAL A 25 9.378 9.946 2.484 1.00 2.44 H new ATOM 0 HG21 VAL A 25 11.940 10.118 0.765 1.00 14.23 H new ATOM 0 HG22 VAL A 25 11.939 10.351 2.529 1.00 14.23 H new ATOM 0 HG23 VAL A 25 13.000 9.126 1.795 1.00 14.23 H new ATOM 405 N THR A 26 8.958 6.914 4.167 1.00 4.14 N ATOM 406 CA THR A 26 7.903 5.904 4.338 1.00 3.04 C ATOM 407 C THR A 26 6.862 5.966 3.217 1.00 43.03 C ATOM 408 O THR A 26 6.133 6.947 3.080 1.00 22.02 O ATOM 409 CB THR A 26 7.174 6.057 5.697 1.00 31.45 C ATOM 410 OG1 THR A 26 8.109 5.908 6.782 1.00 0.44 O ATOM 411 CG2 THR A 26 6.055 5.027 5.847 1.00 35.04 C ATOM 0 H THR A 26 8.864 7.731 4.771 1.00 4.14 H new ATOM 0 HA THR A 26 8.409 4.939 4.305 1.00 3.04 H new ATOM 0 HB THR A 26 6.733 7.054 5.726 1.00 31.45 H new ATOM 0 HG1 THR A 26 7.638 6.008 7.636 1.00 0.44 H new ATOM 0 HG21 THR A 26 5.564 5.161 6.811 1.00 35.04 H new ATOM 0 HG22 THR A 26 5.327 5.161 5.047 1.00 35.04 H new ATOM 0 HG23 THR A 26 6.475 4.023 5.791 1.00 35.04 H new ATOM 419 N TRP A 27 6.799 4.902 2.423 1.00 43.12 N ATOM 420 CA TRP A 27 5.786 4.772 1.369 1.00 64.23 C ATOM 421 C TRP A 27 4.773 3.675 1.720 1.00 74.11 C ATOM 422 O TRP A 27 5.136 2.624 2.251 1.00 42.31 O ATOM 423 CB TRP A 27 6.448 4.473 0.016 1.00 13.21 C ATOM 424 CG TRP A 27 7.100 5.674 -0.605 1.00 71.34 C ATOM 425 CD1 TRP A 27 8.362 6.142 -0.375 1.00 15.04 C ATOM 426 CD2 TRP A 27 6.509 6.575 -1.549 1.00 65.42 C ATOM 427 NE1 TRP A 27 8.594 7.266 -1.128 1.00 32.40 N ATOM 428 CE2 TRP A 27 7.470 7.555 -1.853 1.00 12.41 C ATOM 429 CE3 TRP A 27 5.259 6.640 -2.168 1.00 44.04 C ATOM 430 CZ2 TRP A 27 7.220 8.590 -2.749 1.00 60.53 C ATOM 431 CZ3 TRP A 27 5.010 7.670 -3.056 1.00 0.55 C ATOM 432 CH2 TRP A 27 5.987 8.634 -3.339 1.00 30.52 C ATOM 0 H TRP A 27 7.439 4.110 2.486 1.00 43.12 H new ATOM 0 HA TRP A 27 5.254 5.720 1.293 1.00 64.23 H new ATOM 0 HB2 TRP A 27 7.196 3.691 0.150 1.00 13.21 H new ATOM 0 HB3 TRP A 27 5.697 4.081 -0.669 1.00 13.21 H new ATOM 0 HD1 TRP A 27 9.074 5.693 0.301 1.00 15.04 H new ATOM 0 HE1 TRP A 27 9.463 7.799 -1.144 1.00 32.40 H new ATOM 0 HE3 TRP A 27 4.501 5.900 -1.957 1.00 44.04 H new ATOM 0 HZ2 TRP A 27 7.973 9.332 -2.971 1.00 60.53 H new ATOM 0 HZ3 TRP A 27 4.046 7.733 -3.540 1.00 0.55 H new ATOM 0 HH2 TRP A 27 5.762 9.427 -4.037 1.00 30.52 H new ATOM 443 N TYR A 28 3.503 3.927 1.423 1.00 31.21 N ATOM 444 CA TYR A 28 2.433 2.984 1.759 1.00 31.23 C ATOM 445 C TYR A 28 2.063 2.107 0.553 1.00 2.24 C ATOM 446 O TYR A 28 1.529 2.595 -0.443 1.00 44.15 O ATOM 447 CB TYR A 28 1.196 3.758 2.240 1.00 23.41 C ATOM 448 CG TYR A 28 1.470 4.702 3.401 1.00 33.34 C ATOM 449 CD1 TYR A 28 1.997 5.969 3.178 1.00 1.53 C ATOM 450 CD2 TYR A 28 1.196 4.330 4.715 1.00 74.00 C ATOM 451 CE1 TYR A 28 2.244 6.835 4.226 1.00 32.41 C ATOM 452 CE2 TYR A 28 1.438 5.193 5.768 1.00 11.30 C ATOM 453 CZ TYR A 28 1.960 6.446 5.517 1.00 41.21 C ATOM 454 OH TYR A 28 2.193 7.317 6.559 1.00 65.32 O ATOM 0 H TYR A 28 3.186 4.774 0.951 1.00 31.21 H new ATOM 0 HA TYR A 28 2.791 2.330 2.554 1.00 31.23 H new ATOM 0 HB2 TYR A 28 0.792 4.332 1.406 1.00 23.41 H new ATOM 0 HB3 TYR A 28 0.427 3.045 2.538 1.00 23.41 H new ATOM 0 HD1 TYR A 28 2.217 6.282 2.168 1.00 1.53 H new ATOM 0 HD2 TYR A 28 0.787 3.350 4.915 1.00 74.00 H new ATOM 0 HE1 TYR A 28 2.658 7.814 4.034 1.00 32.41 H new ATOM 0 HE2 TYR A 28 1.220 4.888 6.781 1.00 11.30 H new ATOM 0 HH TYR A 28 1.939 6.891 7.404 1.00 65.32 H new ATOM 464 N GLN A 29 2.331 0.808 0.653 1.00 22.32 N ATOM 465 CA GLN A 29 1.980 -0.139 -0.411 1.00 11.23 C ATOM 466 C GLN A 29 0.591 -0.742 -0.185 1.00 14.22 C ATOM 467 O GLN A 29 0.309 -1.297 0.879 1.00 52.42 O ATOM 468 CB GLN A 29 3.002 -1.280 -0.498 1.00 3.42 C ATOM 469 CG GLN A 29 4.408 -0.844 -0.889 1.00 24.53 C ATOM 470 CD GLN A 29 5.309 -2.024 -1.219 1.00 12.50 C ATOM 471 OE1 GLN A 29 5.135 -3.121 -0.701 1.00 71.30 O ATOM 472 NE2 GLN A 29 6.280 -1.810 -2.087 1.00 64.13 N ATOM 0 H GLN A 29 2.790 0.383 1.459 1.00 22.32 H new ATOM 0 HA GLN A 29 1.982 0.424 -1.345 1.00 11.23 H new ATOM 0 HB2 GLN A 29 3.047 -1.784 0.468 1.00 3.42 H new ATOM 0 HB3 GLN A 29 2.648 -2.013 -1.223 1.00 3.42 H new ATOM 0 HG2 GLN A 29 4.353 -0.180 -1.751 1.00 24.53 H new ATOM 0 HG3 GLN A 29 4.848 -0.271 -0.073 1.00 24.53 H new ATOM 0 HE21 GLN A 29 6.399 -0.886 -2.501 1.00 64.13 H new ATOM 0 HE22 GLN A 29 6.911 -2.569 -2.344 1.00 64.13 H new ATOM 481 N LEU A 30 -0.272 -0.635 -1.184 1.00 4.11 N ATOM 482 CA LEU A 30 -1.578 -1.292 -1.139 1.00 24.24 C ATOM 483 C LEU A 30 -1.458 -2.758 -1.581 1.00 64.15 C ATOM 484 O LEU A 30 -1.080 -3.042 -2.717 1.00 74.11 O ATOM 485 CB LEU A 30 -2.585 -0.556 -2.034 1.00 64.23 C ATOM 486 CG LEU A 30 -3.998 -1.167 -2.063 1.00 35.00 C ATOM 487 CD1 LEU A 30 -4.623 -1.169 -0.671 1.00 15.13 C ATOM 488 CD2 LEU A 30 -4.889 -0.424 -3.054 1.00 13.24 C ATOM 0 H LEU A 30 -0.096 -0.102 -2.036 1.00 4.11 H new ATOM 0 HA LEU A 30 -1.937 -1.262 -0.110 1.00 24.24 H new ATOM 0 HB2 LEU A 30 -2.659 0.478 -1.697 1.00 64.23 H new ATOM 0 HB3 LEU A 30 -2.195 -0.533 -3.051 1.00 64.23 H new ATOM 0 HG LEU A 30 -3.909 -2.202 -2.393 1.00 35.00 H new ATOM 0 HD11 LEU A 30 -5.620 -1.606 -0.721 1.00 15.13 H new ATOM 0 HD12 LEU A 30 -4.003 -1.757 0.006 1.00 15.13 H new ATOM 0 HD13 LEU A 30 -4.693 -0.146 -0.302 1.00 15.13 H new ATOM 0 HD21 LEU A 30 -5.882 -0.873 -3.058 1.00 13.24 H new ATOM 0 HD22 LEU A 30 -4.965 0.623 -2.761 1.00 13.24 H new ATOM 0 HD23 LEU A 30 -4.457 -0.491 -4.053 1.00 13.24 H new ATOM 500 N ARG A 31 -1.761 -3.684 -0.672 1.00 33.45 N ATOM 501 CA ARG A 31 -1.725 -5.122 -0.977 1.00 23.32 C ATOM 502 C ARG A 31 -3.050 -5.800 -0.611 1.00 5.44 C ATOM 503 O ARG A 31 -3.860 -5.246 0.132 1.00 71.00 O ATOM 504 CB ARG A 31 -0.589 -5.811 -0.210 1.00 62.24 C ATOM 505 CG ARG A 31 0.809 -5.278 -0.521 1.00 52.43 C ATOM 506 CD ARG A 31 1.871 -6.067 0.238 1.00 55.24 C ATOM 507 NE ARG A 31 3.223 -5.532 0.062 1.00 32.14 N ATOM 508 CZ ARG A 31 4.285 -6.050 0.623 1.00 35.11 C ATOM 509 NH1 ARG A 31 4.192 -7.100 1.373 1.00 73.31 N ATOM 510 NH2 ARG A 31 5.446 -5.512 0.433 1.00 63.14 N ATOM 0 H ARG A 31 -2.036 -3.467 0.286 1.00 33.45 H new ATOM 0 HA ARG A 31 -1.557 -5.220 -2.049 1.00 23.32 H new ATOM 0 HB2 ARG A 31 -0.774 -5.704 0.859 1.00 62.24 H new ATOM 0 HB3 ARG A 31 -0.614 -6.878 -0.433 1.00 62.24 H new ATOM 0 HG2 ARG A 31 0.998 -5.343 -1.593 1.00 52.43 H new ATOM 0 HG3 ARG A 31 0.870 -4.224 -0.250 1.00 52.43 H new ATOM 0 HD2 ARG A 31 1.623 -6.069 1.300 1.00 55.24 H new ATOM 0 HD3 ARG A 31 1.851 -7.104 -0.096 1.00 55.24 H new ATOM 0 HE ARG A 31 3.343 -4.710 -0.531 1.00 32.14 H new ATOM 0 HH11 ARG A 31 3.283 -7.534 1.533 1.00 73.31 H new ATOM 0 HH12 ARG A 31 5.028 -7.494 1.805 1.00 73.31 H new ATOM 0 HH21 ARG A 31 5.534 -4.683 -0.155 1.00 63.14 H new ATOM 0 HH22 ARG A 31 6.273 -5.917 0.871 1.00 63.14 H new ATOM 524 N ALA A 32 -3.257 -7.010 -1.119 1.00 2.31 N ATOM 525 CA ALA A 32 -4.451 -7.793 -0.789 1.00 65.20 C ATOM 526 C ALA A 32 -4.104 -9.271 -0.594 1.00 30.51 C ATOM 527 O ALA A 32 -3.287 -9.822 -1.326 1.00 32.13 O ATOM 528 CB ALA A 32 -5.499 -7.636 -1.885 1.00 71.11 C ATOM 0 H ALA A 32 -2.615 -7.474 -1.762 1.00 2.31 H new ATOM 0 HA ALA A 32 -4.858 -7.416 0.149 1.00 65.20 H new ATOM 0 HB1 ALA A 32 -6.382 -8.222 -1.630 1.00 71.11 H new ATOM 0 HB2 ALA A 32 -5.774 -6.585 -1.977 1.00 71.11 H new ATOM 0 HB3 ALA A 32 -5.091 -7.989 -2.832 1.00 71.11 H new ATOM 534 N ASP A 33 -4.722 -9.911 0.400 1.00 33.53 N ATOM 535 CA ASP A 33 -4.509 -11.344 0.642 1.00 25.51 C ATOM 536 C ASP A 33 -4.945 -12.175 -0.574 1.00 42.45 C ATOM 537 O ASP A 33 -4.308 -13.165 -0.934 1.00 14.44 O ATOM 538 CB ASP A 33 -5.274 -11.790 1.891 1.00 41.42 C ATOM 539 CG ASP A 33 -5.099 -13.271 2.189 1.00 34.41 C ATOM 540 OD1 ASP A 33 -4.041 -13.651 2.725 1.00 22.11 O ATOM 541 OD2 ASP A 33 -6.017 -14.062 1.881 1.00 33.23 O ATOM 0 H ASP A 33 -5.371 -9.465 1.049 1.00 33.53 H new ATOM 0 HA ASP A 33 -3.444 -11.508 0.803 1.00 25.51 H new ATOM 0 HB2 ASP A 33 -4.933 -11.209 2.748 1.00 41.42 H new ATOM 0 HB3 ASP A 33 -6.334 -11.573 1.760 1.00 41.42 H new ATOM 546 N HIS A 34 -6.044 -11.764 -1.200 1.00 63.12 N ATOM 547 CA HIS A 34 -6.544 -12.419 -2.410 1.00 33.35 C ATOM 548 C HIS A 34 -6.265 -11.545 -3.648 1.00 23.02 C ATOM 549 O HIS A 34 -6.585 -10.357 -3.650 1.00 33.53 O ATOM 550 CB HIS A 34 -8.049 -12.695 -2.278 1.00 70.31 C ATOM 551 CG HIS A 34 -8.387 -13.641 -1.165 1.00 54.31 C ATOM 552 ND1 HIS A 34 -8.512 -15.001 -1.347 1.00 54.12 N ATOM 553 CD2 HIS A 34 -8.633 -13.419 0.149 1.00 72.02 C ATOM 554 CE1 HIS A 34 -8.816 -15.573 -0.202 1.00 31.45 C ATOM 555 NE2 HIS A 34 -8.896 -14.639 0.719 1.00 24.32 N ATOM 0 H HIS A 34 -6.610 -10.975 -0.888 1.00 63.12 H new ATOM 0 HA HIS A 34 -6.024 -13.369 -2.534 1.00 33.35 H new ATOM 0 HB2 HIS A 34 -8.570 -11.752 -2.114 1.00 70.31 H new ATOM 0 HB3 HIS A 34 -8.419 -13.105 -3.218 1.00 70.31 H new ATOM 0 HD2 HIS A 34 -8.624 -12.463 0.652 1.00 72.02 H new ATOM 0 HE1 HIS A 34 -8.973 -16.630 -0.046 1.00 31.45 H new ATOM 0 HE2 HIS A 34 -9.118 -14.796 1.702 1.00 24.32 H new ATOM 564 N PRO A 35 -5.683 -12.114 -4.730 1.00 14.43 N ATOM 565 CA PRO A 35 -5.360 -13.554 -4.831 1.00 21.33 C ATOM 566 C PRO A 35 -4.094 -13.974 -4.052 1.00 43.35 C ATOM 567 O PRO A 35 -4.030 -15.084 -3.525 1.00 4.30 O ATOM 568 CB PRO A 35 -5.149 -13.743 -6.337 1.00 72.52 C ATOM 569 CG PRO A 35 -4.625 -12.426 -6.808 1.00 5.30 C ATOM 570 CD PRO A 35 -5.298 -11.377 -5.955 1.00 52.03 C ATOM 0 HA PRO A 35 -6.147 -14.169 -4.394 1.00 21.33 H new ATOM 0 HB2 PRO A 35 -4.442 -14.548 -6.541 1.00 72.52 H new ATOM 0 HB3 PRO A 35 -6.081 -14.002 -6.839 1.00 72.52 H new ATOM 0 HG2 PRO A 35 -3.541 -12.378 -6.702 1.00 5.30 H new ATOM 0 HG3 PRO A 35 -4.849 -12.272 -7.864 1.00 5.30 H new ATOM 0 HD2 PRO A 35 -4.623 -10.551 -5.730 1.00 52.03 H new ATOM 0 HD3 PRO A 35 -6.167 -10.951 -6.456 1.00 52.03 H new ATOM 578 N LYS A 36 -3.090 -13.094 -3.992 1.00 25.40 N ATOM 579 CA LYS A 36 -1.823 -13.400 -3.303 1.00 12.23 C ATOM 580 C LYS A 36 -1.430 -12.263 -2.344 1.00 50.14 C ATOM 581 O LYS A 36 -1.414 -11.101 -2.741 1.00 0.34 O ATOM 582 CB LYS A 36 -0.697 -13.646 -4.327 1.00 33.40 C ATOM 583 CG LYS A 36 -0.966 -14.814 -5.276 1.00 73.51 C ATOM 584 CD LYS A 36 -1.229 -16.114 -4.515 1.00 62.23 C ATOM 585 CE LYS A 36 -1.530 -17.278 -5.453 1.00 44.43 C ATOM 586 NZ LYS A 36 -0.347 -17.667 -6.268 1.00 42.15 N ATOM 0 H LYS A 36 -3.125 -12.164 -4.410 1.00 25.40 H new ATOM 0 HA LYS A 36 -1.969 -14.307 -2.717 1.00 12.23 H new ATOM 0 HB2 LYS A 36 -0.550 -12.740 -4.915 1.00 33.40 H new ATOM 0 HB3 LYS A 36 0.233 -13.833 -3.791 1.00 33.40 H new ATOM 0 HG2 LYS A 36 -1.825 -14.581 -5.905 1.00 73.51 H new ATOM 0 HG3 LYS A 36 -0.112 -14.948 -5.940 1.00 73.51 H new ATOM 0 HD2 LYS A 36 -0.360 -16.357 -3.903 1.00 62.23 H new ATOM 0 HD3 LYS A 36 -2.068 -15.971 -3.834 1.00 62.23 H new ATOM 0 HE2 LYS A 36 -1.864 -18.136 -4.869 1.00 44.43 H new ATOM 0 HE3 LYS A 36 -2.351 -17.005 -6.116 1.00 44.43 H new ATOM 0 HZ1 LYS A 36 -0.580 -18.504 -6.840 1.00 42.15 H new ATOM 0 HZ2 LYS A 36 -0.084 -16.881 -6.896 1.00 42.15 H new ATOM 0 HZ3 LYS A 36 0.451 -17.889 -5.638 1.00 42.15 H new ATOM 600 N PRO A 37 -1.082 -12.592 -1.077 1.00 41.01 N ATOM 601 CA PRO A 37 -0.791 -11.591 -0.025 1.00 0.23 C ATOM 602 C PRO A 37 0.124 -10.435 -0.478 1.00 32.22 C ATOM 603 O PRO A 37 -0.210 -9.264 -0.299 1.00 32.23 O ATOM 604 CB PRO A 37 -0.105 -12.428 1.062 1.00 34.24 C ATOM 605 CG PRO A 37 -0.708 -13.783 0.918 1.00 40.25 C ATOM 606 CD PRO A 37 -0.955 -13.973 -0.559 1.00 14.13 C ATOM 0 HA PRO A 37 -1.701 -11.082 0.293 1.00 0.23 H new ATOM 0 HB2 PRO A 37 0.975 -12.456 0.920 1.00 34.24 H new ATOM 0 HB3 PRO A 37 -0.285 -12.016 2.055 1.00 34.24 H new ATOM 0 HG2 PRO A 37 -0.038 -14.551 1.304 1.00 40.25 H new ATOM 0 HG3 PRO A 37 -1.638 -13.858 1.482 1.00 40.25 H new ATOM 0 HD2 PRO A 37 -0.132 -14.505 -1.037 1.00 14.13 H new ATOM 0 HD3 PRO A 37 -1.859 -14.553 -0.742 1.00 14.13 H new ATOM 614 N ASP A 38 1.269 -10.764 -1.076 1.00 42.12 N ATOM 615 CA ASP A 38 2.247 -9.748 -1.499 1.00 53.12 C ATOM 616 C ASP A 38 1.858 -9.063 -2.825 1.00 64.30 C ATOM 617 O ASP A 38 2.717 -8.530 -3.533 1.00 41.30 O ATOM 618 CB ASP A 38 3.631 -10.391 -1.617 1.00 62.20 C ATOM 619 CG ASP A 38 4.143 -10.883 -0.274 1.00 2.15 C ATOM 620 OD1 ASP A 38 3.778 -12.003 0.132 1.00 33.11 O ATOM 621 OD2 ASP A 38 4.899 -10.140 0.394 1.00 0.31 O ATOM 0 H ASP A 38 1.547 -11.724 -1.281 1.00 42.12 H new ATOM 0 HA ASP A 38 2.261 -8.968 -0.738 1.00 53.12 H new ATOM 0 HB2 ASP A 38 3.585 -11.226 -2.316 1.00 62.20 H new ATOM 0 HB3 ASP A 38 4.334 -9.667 -2.030 1.00 62.20 H new ATOM 626 N SER A 39 0.564 -9.057 -3.142 1.00 72.25 N ATOM 627 CA SER A 39 0.060 -8.393 -4.352 1.00 60.33 C ATOM 628 C SER A 39 0.236 -6.868 -4.270 1.00 73.42 C ATOM 629 O SER A 39 -0.631 -6.154 -3.773 1.00 1.04 O ATOM 630 CB SER A 39 -1.419 -8.741 -4.583 1.00 74.53 C ATOM 631 OG SER A 39 -2.209 -8.452 -3.437 1.00 13.21 O ATOM 0 H SER A 39 -0.159 -9.505 -2.579 1.00 72.25 H new ATOM 0 HA SER A 39 0.646 -8.757 -5.196 1.00 60.33 H new ATOM 0 HB2 SER A 39 -1.797 -8.179 -5.437 1.00 74.53 H new ATOM 0 HB3 SER A 39 -1.510 -9.798 -4.831 1.00 74.53 H new ATOM 0 HG SER A 39 -2.287 -9.256 -2.882 1.00 13.21 H new ATOM 637 N LEU A 40 1.381 -6.376 -4.735 1.00 12.31 N ATOM 638 CA LEU A 40 1.648 -4.936 -4.749 1.00 50.21 C ATOM 639 C LEU A 40 0.824 -4.222 -5.830 1.00 15.03 C ATOM 640 O LEU A 40 1.127 -4.315 -7.021 1.00 64.21 O ATOM 641 CB LEU A 40 3.147 -4.671 -4.966 1.00 52.33 C ATOM 642 CG LEU A 40 3.533 -3.190 -5.139 1.00 30.31 C ATOM 643 CD1 LEU A 40 3.044 -2.362 -3.954 1.00 53.43 C ATOM 644 CD2 LEU A 40 5.045 -3.043 -5.314 1.00 35.23 C ATOM 0 H LEU A 40 2.138 -6.949 -5.107 1.00 12.31 H new ATOM 0 HA LEU A 40 1.351 -4.535 -3.780 1.00 50.21 H new ATOM 0 HB2 LEU A 40 3.698 -5.077 -4.117 1.00 52.33 H new ATOM 0 HB3 LEU A 40 3.473 -5.220 -5.849 1.00 52.33 H new ATOM 0 HG LEU A 40 3.047 -2.815 -6.040 1.00 30.31 H new ATOM 0 HD11 LEU A 40 3.327 -1.319 -4.097 1.00 53.43 H new ATOM 0 HD12 LEU A 40 1.959 -2.436 -3.881 1.00 53.43 H new ATOM 0 HD13 LEU A 40 3.496 -2.738 -3.036 1.00 53.43 H new ATOM 0 HD21 LEU A 40 5.297 -1.989 -5.435 1.00 35.23 H new ATOM 0 HD22 LEU A 40 5.553 -3.439 -4.435 1.00 35.23 H new ATOM 0 HD23 LEU A 40 5.364 -3.596 -6.197 1.00 35.23 H new ATOM 656 N ILE A 41 -0.228 -3.529 -5.406 1.00 73.32 N ATOM 657 CA ILE A 41 -1.040 -2.722 -6.318 1.00 21.24 C ATOM 658 C ILE A 41 -0.302 -1.425 -6.704 1.00 15.03 C ATOM 659 O ILE A 41 -0.111 -1.131 -7.891 1.00 13.34 O ATOM 660 CB ILE A 41 -2.410 -2.361 -5.682 1.00 23.02 C ATOM 661 CG1 ILE A 41 -3.158 -3.631 -5.226 1.00 24.05 C ATOM 662 CG2 ILE A 41 -3.268 -1.551 -6.653 1.00 64.22 C ATOM 663 CD1 ILE A 41 -3.455 -4.615 -6.343 1.00 33.33 C ATOM 0 H ILE A 41 -0.541 -3.508 -4.435 1.00 73.32 H new ATOM 0 HA ILE A 41 -1.213 -3.320 -7.213 1.00 21.24 H new ATOM 0 HB ILE A 41 -2.218 -1.745 -4.804 1.00 23.02 H new ATOM 0 HG12 ILE A 41 -2.564 -4.134 -4.463 1.00 24.05 H new ATOM 0 HG13 ILE A 41 -4.097 -3.337 -4.757 1.00 24.05 H new ATOM 0 HG21 ILE A 41 -4.222 -1.311 -6.183 1.00 64.22 H new ATOM 0 HG22 ILE A 41 -2.750 -0.628 -6.914 1.00 64.22 H new ATOM 0 HG23 ILE A 41 -3.445 -2.135 -7.556 1.00 64.22 H new ATOM 0 HD11 ILE A 41 -3.982 -5.478 -5.937 1.00 33.33 H new ATOM 0 HD12 ILE A 41 -4.076 -4.132 -7.097 1.00 33.33 H new ATOM 0 HD13 ILE A 41 -2.520 -4.942 -6.798 1.00 33.33 H new ATOM 675 N SER A 42 0.125 -0.663 -5.694 1.00 4.41 N ATOM 676 CA SER A 42 0.826 0.617 -5.918 1.00 44.24 C ATOM 677 C SER A 42 1.304 1.248 -4.599 1.00 2.02 C ATOM 678 O SER A 42 0.684 1.056 -3.548 1.00 44.25 O ATOM 679 CB SER A 42 -0.092 1.614 -6.646 1.00 42.54 C ATOM 680 OG SER A 42 0.516 2.894 -6.756 1.00 53.13 O ATOM 0 H SER A 42 0.001 -0.905 -4.711 1.00 4.41 H new ATOM 0 HA SER A 42 1.699 0.397 -6.533 1.00 44.24 H new ATOM 0 HB2 SER A 42 -0.327 1.235 -7.640 1.00 42.54 H new ATOM 0 HB3 SER A 42 -1.035 1.703 -6.107 1.00 42.54 H new ATOM 0 HG SER A 42 -0.091 3.505 -7.224 1.00 53.13 H new ATOM 686 N GLU A 43 2.411 1.995 -4.661 1.00 4.05 N ATOM 687 CA GLU A 43 2.897 2.767 -3.508 1.00 41.43 C ATOM 688 C GLU A 43 2.275 4.175 -3.505 1.00 1.20 C ATOM 689 O GLU A 43 2.350 4.896 -4.499 1.00 62.23 O ATOM 690 CB GLU A 43 4.436 2.893 -3.518 1.00 70.01 C ATOM 691 CG GLU A 43 5.194 1.566 -3.594 1.00 61.14 C ATOM 692 CD GLU A 43 5.451 1.106 -5.024 1.00 20.43 C ATOM 693 OE1 GLU A 43 4.570 0.451 -5.614 1.00 33.52 O ATOM 694 OE2 GLU A 43 6.539 1.410 -5.565 1.00 52.30 O ATOM 0 H GLU A 43 2.989 2.083 -5.497 1.00 4.05 H new ATOM 0 HA GLU A 43 2.598 2.229 -2.608 1.00 41.43 H new ATOM 0 HB2 GLU A 43 4.729 3.511 -4.367 1.00 70.01 H new ATOM 0 HB3 GLU A 43 4.748 3.421 -2.617 1.00 70.01 H new ATOM 0 HG2 GLU A 43 6.147 1.668 -3.075 1.00 61.14 H new ATOM 0 HG3 GLU A 43 4.625 0.799 -3.068 1.00 61.14 H new ATOM 701 N HIS A 44 1.650 4.550 -2.393 1.00 51.24 N ATOM 702 CA HIS A 44 1.019 5.871 -2.246 1.00 35.01 C ATOM 703 C HIS A 44 1.704 6.690 -1.134 1.00 13.30 C ATOM 704 O HIS A 44 2.166 6.127 -0.138 1.00 52.51 O ATOM 705 CB HIS A 44 -0.484 5.709 -1.953 1.00 41.14 C ATOM 706 CG HIS A 44 -1.270 5.136 -3.105 1.00 61.02 C ATOM 707 ND1 HIS A 44 -2.545 5.546 -3.425 1.00 3.31 N ATOM 708 CD2 HIS A 44 -0.960 4.175 -4.010 1.00 10.23 C ATOM 709 CE1 HIS A 44 -2.980 4.871 -4.468 1.00 51.25 C ATOM 710 NE2 HIS A 44 -2.039 4.031 -4.846 1.00 13.15 N ATOM 0 H HIS A 44 1.563 3.955 -1.569 1.00 51.24 H new ATOM 0 HA HIS A 44 1.138 6.415 -3.183 1.00 35.01 H new ATOM 0 HB2 HIS A 44 -0.608 5.063 -1.084 1.00 41.14 H new ATOM 0 HB3 HIS A 44 -0.900 6.681 -1.689 1.00 41.14 H new ATOM 0 HD1 HIS A 44 -3.073 6.264 -2.929 1.00 3.31 H new ATOM 0 HD2 HIS A 44 -0.033 3.623 -4.063 1.00 10.23 H new ATOM 0 HE1 HIS A 44 -3.947 4.987 -4.935 1.00 51.25 H new ATOM 719 N PRO A 45 1.771 8.032 -1.283 1.00 63.23 N ATOM 720 CA PRO A 45 2.519 8.907 -0.351 1.00 23.05 C ATOM 721 C PRO A 45 1.922 8.974 1.068 1.00 61.44 C ATOM 722 O PRO A 45 2.658 8.990 2.057 1.00 33.40 O ATOM 723 CB PRO A 45 2.450 10.283 -1.030 1.00 75.24 C ATOM 724 CG PRO A 45 1.228 10.224 -1.881 1.00 33.14 C ATOM 725 CD PRO A 45 1.140 8.804 -2.372 1.00 2.32 C ATOM 0 HA PRO A 45 3.529 8.531 -0.189 1.00 23.05 H new ATOM 0 HB2 PRO A 45 2.382 11.085 -0.294 1.00 75.24 H new ATOM 0 HB3 PRO A 45 3.341 10.474 -1.629 1.00 75.24 H new ATOM 0 HG2 PRO A 45 0.340 10.496 -1.310 1.00 33.14 H new ATOM 0 HG3 PRO A 45 1.298 10.923 -2.715 1.00 33.14 H new ATOM 0 HD2 PRO A 45 0.107 8.498 -2.537 1.00 2.32 H new ATOM 0 HD3 PRO A 45 1.666 8.671 -3.317 1.00 2.32 H new ATOM 733 N THR A 46 0.594 9.030 1.173 1.00 1.04 N ATOM 734 CA THR A 46 -0.075 9.109 2.485 1.00 53.23 C ATOM 735 C THR A 46 -1.018 7.920 2.700 1.00 61.15 C ATOM 736 O THR A 46 -1.529 7.336 1.738 1.00 31.43 O ATOM 737 CB THR A 46 -0.892 10.419 2.651 1.00 45.22 C ATOM 738 OG1 THR A 46 -2.054 10.400 1.805 1.00 24.30 O ATOM 739 CG2 THR A 46 -0.043 11.640 2.316 1.00 53.34 C ATOM 0 H THR A 46 -0.042 9.023 0.375 1.00 1.04 H new ATOM 0 HA THR A 46 0.721 9.092 3.229 1.00 53.23 H new ATOM 0 HB THR A 46 -1.205 10.483 3.693 1.00 45.22 H new ATOM 0 HG1 THR A 46 -2.558 11.232 1.923 1.00 24.30 H new ATOM 0 HG21 THR A 46 -0.640 12.543 2.441 1.00 53.34 H new ATOM 0 HG22 THR A 46 0.818 11.679 2.984 1.00 53.34 H new ATOM 0 HG23 THR A 46 0.301 11.572 1.284 1.00 53.34 H new ATOM 747 N ALA A 47 -1.253 7.562 3.964 1.00 62.35 N ATOM 748 CA ALA A 47 -2.171 6.467 4.301 1.00 71.21 C ATOM 749 C ALA A 47 -3.572 6.719 3.727 1.00 74.31 C ATOM 750 O ALA A 47 -4.210 5.811 3.197 1.00 24.31 O ATOM 751 CB ALA A 47 -2.241 6.279 5.811 1.00 62.40 C ATOM 0 H ALA A 47 -0.822 8.012 4.771 1.00 62.35 H new ATOM 0 HA ALA A 47 -1.784 5.553 3.851 1.00 71.21 H new ATOM 0 HB1 ALA A 47 -2.926 5.464 6.045 1.00 62.40 H new ATOM 0 HB2 ALA A 47 -1.249 6.041 6.194 1.00 62.40 H new ATOM 0 HB3 ALA A 47 -2.599 7.198 6.276 1.00 62.40 H new ATOM 757 N GLN A 48 -4.034 7.963 3.825 1.00 30.31 N ATOM 758 CA GLN A 48 -5.328 8.359 3.260 1.00 31.21 C ATOM 759 C GLN A 48 -5.342 8.156 1.734 1.00 52.14 C ATOM 760 O GLN A 48 -6.307 7.636 1.174 1.00 74.02 O ATOM 761 CB GLN A 48 -5.630 9.827 3.615 1.00 13.42 C ATOM 762 CG GLN A 48 -7.027 10.307 3.202 1.00 13.43 C ATOM 763 CD GLN A 48 -7.025 11.307 2.051 1.00 21.15 C ATOM 764 OE1 GLN A 48 -7.889 12.177 1.975 1.00 11.13 O ATOM 765 NE2 GLN A 48 -6.075 11.194 1.144 1.00 23.45 N ATOM 0 H GLN A 48 -3.532 8.719 4.291 1.00 30.31 H new ATOM 0 HA GLN A 48 -6.105 7.727 3.691 1.00 31.21 H new ATOM 0 HB2 GLN A 48 -5.518 9.958 4.691 1.00 13.42 H new ATOM 0 HB3 GLN A 48 -4.885 10.464 3.138 1.00 13.42 H new ATOM 0 HG2 GLN A 48 -7.627 9.443 2.918 1.00 13.43 H new ATOM 0 HG3 GLN A 48 -7.513 10.763 4.065 1.00 13.43 H new ATOM 0 HE21 GLN A 48 -5.370 10.462 1.232 1.00 23.45 H new ATOM 0 HE22 GLN A 48 -6.045 11.839 0.354 1.00 23.45 H new ATOM 774 N GLU A 49 -4.250 8.557 1.072 1.00 3.02 N ATOM 775 CA GLU A 49 -4.110 8.396 -0.386 1.00 53.40 C ATOM 776 C GLU A 49 -4.157 6.907 -0.777 1.00 12.23 C ATOM 777 O GLU A 49 -4.634 6.542 -1.851 1.00 52.22 O ATOM 778 CB GLU A 49 -2.785 9.033 -0.867 1.00 25.21 C ATOM 779 CG GLU A 49 -2.887 9.812 -2.182 1.00 35.21 C ATOM 780 CD GLU A 49 -3.291 8.944 -3.364 1.00 35.25 C ATOM 781 OE1 GLU A 49 -2.427 8.215 -3.891 1.00 24.23 O ATOM 782 OE2 GLU A 49 -4.474 8.982 -3.768 1.00 15.33 O ATOM 0 H GLU A 49 -3.447 8.997 1.521 1.00 3.02 H new ATOM 0 HA GLU A 49 -4.944 8.904 -0.870 1.00 53.40 H new ATOM 0 HB2 GLU A 49 -2.418 9.705 -0.091 1.00 25.21 H new ATOM 0 HB3 GLU A 49 -2.041 8.245 -0.985 1.00 25.21 H new ATOM 0 HG2 GLU A 49 -3.614 10.616 -2.065 1.00 35.21 H new ATOM 0 HG3 GLU A 49 -1.926 10.280 -2.395 1.00 35.21 H new ATOM 789 N ALA A 50 -3.640 6.051 0.103 1.00 31.53 N ATOM 790 CA ALA A 50 -3.686 4.599 -0.103 1.00 71.23 C ATOM 791 C ALA A 50 -5.097 4.040 0.156 1.00 35.31 C ATOM 792 O ALA A 50 -5.591 3.197 -0.598 1.00 23.42 O ATOM 793 CB ALA A 50 -2.660 3.916 0.793 1.00 11.11 C ATOM 0 H ALA A 50 -3.182 6.336 0.969 1.00 31.53 H new ATOM 0 HA ALA A 50 -3.440 4.392 -1.144 1.00 71.23 H new ATOM 0 HB1 ALA A 50 -2.699 2.838 0.635 1.00 11.11 H new ATOM 0 HB2 ALA A 50 -1.663 4.282 0.549 1.00 11.11 H new ATOM 0 HB3 ALA A 50 -2.883 4.138 1.837 1.00 11.11 H new ATOM 799 N MET A 51 -5.735 4.517 1.227 1.00 33.43 N ATOM 800 CA MET A 51 -7.114 4.127 1.567 1.00 2.10 C ATOM 801 C MET A 51 -8.091 4.432 0.421 1.00 2.45 C ATOM 802 O MET A 51 -9.041 3.684 0.187 1.00 43.54 O ATOM 803 CB MET A 51 -7.569 4.849 2.843 1.00 63.22 C ATOM 804 CG MET A 51 -6.908 4.331 4.113 1.00 11.42 C ATOM 805 SD MET A 51 -7.387 2.633 4.489 1.00 14.23 S ATOM 806 CE MET A 51 -6.549 2.387 6.053 1.00 44.43 C ATOM 0 H MET A 51 -5.318 5.179 1.881 1.00 33.43 H new ATOM 0 HA MET A 51 -7.119 3.050 1.735 1.00 2.10 H new ATOM 0 HB2 MET A 51 -7.356 5.913 2.742 1.00 63.22 H new ATOM 0 HB3 MET A 51 -8.650 4.748 2.940 1.00 63.22 H new ATOM 0 HG2 MET A 51 -5.825 4.385 4.004 1.00 11.42 H new ATOM 0 HG3 MET A 51 -7.177 4.976 4.949 1.00 11.42 H new ATOM 0 HE1 MET A 51 -6.284 1.335 6.162 1.00 44.43 H new ATOM 0 HE2 MET A 51 -5.644 2.994 6.080 1.00 44.43 H new ATOM 0 HE3 MET A 51 -7.208 2.681 6.869 1.00 44.43 H new ATOM 816 N ASP A 52 -7.846 5.537 -0.280 1.00 65.21 N ATOM 817 CA ASP A 52 -8.662 5.934 -1.433 1.00 41.14 C ATOM 818 C ASP A 52 -8.741 4.799 -2.474 1.00 75.32 C ATOM 819 O ASP A 52 -9.810 4.504 -3.016 1.00 12.13 O ATOM 820 CB ASP A 52 -8.074 7.205 -2.055 1.00 50.11 C ATOM 821 CG ASP A 52 -8.969 7.804 -3.125 1.00 34.32 C ATOM 822 OD1 ASP A 52 -9.946 8.498 -2.771 1.00 4.34 O ATOM 823 OD2 ASP A 52 -8.703 7.590 -4.324 1.00 55.42 O ATOM 0 H ASP A 52 -7.083 6.180 -0.070 1.00 65.21 H new ATOM 0 HA ASP A 52 -9.678 6.137 -1.095 1.00 41.14 H new ATOM 0 HB2 ASP A 52 -7.907 7.944 -1.271 1.00 50.11 H new ATOM 0 HB3 ASP A 52 -7.101 6.975 -2.489 1.00 50.11 H new ATOM 828 N ALA A 53 -7.605 4.170 -2.745 1.00 50.44 N ATOM 829 CA ALA A 53 -7.551 3.015 -3.645 1.00 44.32 C ATOM 830 C ALA A 53 -8.084 1.745 -2.961 1.00 14.32 C ATOM 831 O ALA A 53 -8.792 0.940 -3.572 1.00 10.41 O ATOM 832 CB ALA A 53 -6.124 2.802 -4.135 1.00 12.52 C ATOM 0 H ALA A 53 -6.702 4.439 -2.354 1.00 50.44 H new ATOM 0 HA ALA A 53 -8.193 3.221 -4.501 1.00 44.32 H new ATOM 0 HB1 ALA A 53 -6.093 1.941 -4.803 1.00 12.52 H new ATOM 0 HB2 ALA A 53 -5.787 3.690 -4.671 1.00 12.52 H new ATOM 0 HB3 ALA A 53 -5.469 2.622 -3.282 1.00 12.52 H new ATOM 838 N LYS A 54 -7.734 1.581 -1.681 1.00 73.21 N ATOM 839 CA LYS A 54 -8.161 0.421 -0.880 1.00 73.14 C ATOM 840 C LYS A 54 -9.688 0.239 -0.898 1.00 71.14 C ATOM 841 O LYS A 54 -10.182 -0.855 -1.177 1.00 3.34 O ATOM 842 CB LYS A 54 -7.642 0.574 0.563 1.00 75.53 C ATOM 843 CG LYS A 54 -8.270 -0.378 1.584 1.00 1.32 C ATOM 844 CD LYS A 54 -7.518 -0.340 2.918 1.00 73.53 C ATOM 845 CE LYS A 54 -8.374 -0.811 4.093 1.00 45.54 C ATOM 846 NZ LYS A 54 -8.964 -2.159 3.876 1.00 74.13 N ATOM 0 H LYS A 54 -7.150 2.243 -1.170 1.00 73.21 H new ATOM 0 HA LYS A 54 -7.733 -0.477 -1.325 1.00 73.14 H new ATOM 0 HB2 LYS A 54 -6.563 0.421 0.562 1.00 75.53 H new ATOM 0 HB3 LYS A 54 -7.818 1.599 0.889 1.00 75.53 H new ATOM 0 HG2 LYS A 54 -9.313 -0.106 1.744 1.00 1.32 H new ATOM 0 HG3 LYS A 54 -8.263 -1.394 1.189 1.00 1.32 H new ATOM 0 HD2 LYS A 54 -6.629 -0.967 2.847 1.00 73.53 H new ATOM 0 HD3 LYS A 54 -7.176 0.677 3.108 1.00 73.53 H new ATOM 0 HE2 LYS A 54 -7.764 -0.828 4.996 1.00 45.54 H new ATOM 0 HE3 LYS A 54 -9.176 -0.092 4.263 1.00 45.54 H new ATOM 0 HZ1 LYS A 54 -9.237 -2.570 4.791 1.00 74.13 H new ATOM 0 HZ2 LYS A 54 -9.804 -2.077 3.269 1.00 74.13 H new ATOM 0 HZ3 LYS A 54 -8.263 -2.775 3.416 1.00 74.13 H new ATOM 860 N LYS A 55 -10.428 1.312 -0.628 1.00 33.22 N ATOM 861 CA LYS A 55 -11.896 1.264 -0.641 1.00 12.22 C ATOM 862 C LYS A 55 -12.439 0.707 -1.969 1.00 63.35 C ATOM 863 O LYS A 55 -13.149 -0.298 -1.983 1.00 4.50 O ATOM 864 CB LYS A 55 -12.488 2.657 -0.383 1.00 23.13 C ATOM 865 CG LYS A 55 -12.340 3.141 1.057 1.00 54.41 C ATOM 866 CD LYS A 55 -13.037 4.480 1.276 1.00 64.52 C ATOM 867 CE LYS A 55 -13.089 4.865 2.749 1.00 25.14 C ATOM 868 NZ LYS A 55 -11.734 5.015 3.345 1.00 12.05 N ATOM 0 H LYS A 55 -10.040 2.227 -0.397 1.00 33.22 H new ATOM 0 HA LYS A 55 -12.201 0.590 0.159 1.00 12.22 H new ATOM 0 HB2 LYS A 55 -12.005 3.374 -1.047 1.00 23.13 H new ATOM 0 HB3 LYS A 55 -13.546 2.644 -0.643 1.00 23.13 H new ATOM 0 HG2 LYS A 55 -12.758 2.398 1.736 1.00 54.41 H new ATOM 0 HG3 LYS A 55 -11.282 3.237 1.302 1.00 54.41 H new ATOM 0 HD2 LYS A 55 -12.514 5.256 0.717 1.00 64.52 H new ATOM 0 HD3 LYS A 55 -14.051 4.430 0.879 1.00 64.52 H new ATOM 0 HE2 LYS A 55 -13.636 5.801 2.858 1.00 25.14 H new ATOM 0 HE3 LYS A 55 -13.643 4.106 3.301 1.00 25.14 H new ATOM 0 HZ1 LYS A 55 -11.822 5.310 4.338 1.00 12.05 H new ATOM 0 HZ2 LYS A 55 -11.231 4.106 3.297 1.00 12.05 H new ATOM 0 HZ3 LYS A 55 -11.200 5.734 2.816 1.00 12.05 H new ATOM 882 N ARG A 56 -12.085 1.358 -3.080 1.00 35.42 N ATOM 883 CA ARG A 56 -12.570 0.943 -4.404 1.00 63.30 C ATOM 884 C ARG A 56 -12.103 -0.476 -4.770 1.00 3.23 C ATOM 885 O ARG A 56 -12.751 -1.166 -5.559 1.00 54.13 O ATOM 886 CB ARG A 56 -12.115 1.939 -5.478 1.00 62.21 C ATOM 887 CG ARG A 56 -12.671 3.347 -5.281 1.00 31.02 C ATOM 888 CD ARG A 56 -12.336 4.260 -6.458 1.00 61.33 C ATOM 889 NE ARG A 56 -12.884 3.755 -7.718 1.00 3.11 N ATOM 890 CZ ARG A 56 -13.002 4.467 -8.807 1.00 12.03 C ATOM 891 NH1 ARG A 56 -12.654 5.714 -8.829 1.00 34.31 N ATOM 892 NH2 ARG A 56 -13.483 3.926 -9.877 1.00 34.20 N ATOM 0 H ARG A 56 -11.468 2.170 -3.092 1.00 35.42 H new ATOM 0 HA ARG A 56 -13.659 0.932 -4.360 1.00 63.30 H new ATOM 0 HB2 ARG A 56 -11.026 1.985 -5.481 1.00 62.21 H new ATOM 0 HB3 ARG A 56 -12.421 1.570 -6.457 1.00 62.21 H new ATOM 0 HG2 ARG A 56 -13.753 3.296 -5.157 1.00 31.02 H new ATOM 0 HG3 ARG A 56 -12.265 3.773 -4.364 1.00 31.02 H new ATOM 0 HD2 ARG A 56 -12.730 5.258 -6.266 1.00 61.33 H new ATOM 0 HD3 ARG A 56 -11.254 4.356 -6.546 1.00 61.33 H new ATOM 0 HE ARG A 56 -13.194 2.784 -7.748 1.00 3.11 H new ATOM 0 HH11 ARG A 56 -12.281 6.154 -7.988 1.00 34.31 H new ATOM 0 HH12 ARG A 56 -12.753 6.256 -9.688 1.00 34.31 H new ATOM 0 HH21 ARG A 56 -13.769 2.947 -9.869 1.00 34.20 H new ATOM 0 HH22 ARG A 56 -13.577 4.478 -10.730 1.00 34.20 H new ATOM 906 N TYR A 57 -10.976 -0.899 -4.202 1.00 44.22 N ATOM 907 CA TYR A 57 -10.462 -2.255 -4.416 1.00 75.41 C ATOM 908 C TYR A 57 -11.334 -3.295 -3.689 1.00 45.35 C ATOM 909 O TYR A 57 -11.509 -4.420 -4.163 1.00 2.14 O ATOM 910 CB TYR A 57 -9.003 -2.356 -3.940 1.00 20.42 C ATOM 911 CG TYR A 57 -8.359 -3.701 -4.233 1.00 3.01 C ATOM 912 CD1 TYR A 57 -7.687 -3.932 -5.430 1.00 72.35 C ATOM 913 CD2 TYR A 57 -8.445 -4.748 -3.321 1.00 63.31 C ATOM 914 CE1 TYR A 57 -7.122 -5.163 -5.706 1.00 74.03 C ATOM 915 CE2 TYR A 57 -7.879 -5.976 -3.589 1.00 60.34 C ATOM 916 CZ TYR A 57 -7.222 -6.180 -4.783 1.00 61.02 C ATOM 917 OH TYR A 57 -6.673 -7.413 -5.057 1.00 52.31 O ATOM 0 H TYR A 57 -10.399 -0.324 -3.589 1.00 44.22 H new ATOM 0 HA TYR A 57 -10.498 -2.467 -5.485 1.00 75.41 H new ATOM 0 HB2 TYR A 57 -8.418 -1.571 -4.419 1.00 20.42 H new ATOM 0 HB3 TYR A 57 -8.966 -2.171 -2.866 1.00 20.42 H new ATOM 0 HD1 TYR A 57 -7.606 -3.136 -6.155 1.00 72.35 H new ATOM 0 HD2 TYR A 57 -8.964 -4.596 -2.386 1.00 63.31 H new ATOM 0 HE1 TYR A 57 -6.605 -5.326 -6.640 1.00 74.03 H new ATOM 0 HE2 TYR A 57 -7.950 -6.775 -2.866 1.00 60.34 H new ATOM 0 HH TYR A 57 -5.708 -7.386 -4.888 1.00 52.31 H new ATOM 927 N GLU A 58 -11.861 -2.909 -2.530 1.00 64.34 N ATOM 928 CA GLU A 58 -12.721 -3.789 -1.730 1.00 52.10 C ATOM 929 C GLU A 58 -14.190 -3.697 -2.175 1.00 23.52 C ATOM 930 O GLU A 58 -14.997 -4.589 -1.892 1.00 32.35 O ATOM 931 CB GLU A 58 -12.580 -3.424 -0.248 1.00 63.13 C ATOM 932 CG GLU A 58 -11.132 -3.456 0.234 1.00 14.32 C ATOM 933 CD GLU A 58 -10.964 -3.035 1.684 1.00 51.52 C ATOM 934 OE1 GLU A 58 -11.278 -1.871 2.022 1.00 63.12 O ATOM 935 OE2 GLU A 58 -10.482 -3.857 2.490 1.00 70.21 O ATOM 0 H GLU A 58 -11.709 -1.988 -2.119 1.00 64.34 H new ATOM 0 HA GLU A 58 -12.402 -4.820 -1.882 1.00 52.10 H new ATOM 0 HB2 GLU A 58 -12.991 -2.428 -0.083 1.00 63.13 H new ATOM 0 HB3 GLU A 58 -13.173 -4.116 0.350 1.00 63.13 H new ATOM 0 HG2 GLU A 58 -10.739 -4.465 0.109 1.00 14.32 H new ATOM 0 HG3 GLU A 58 -10.533 -2.800 -0.398 1.00 14.32 H new ATOM 942 N ASP A 59 -14.534 -2.608 -2.861 1.00 30.22 N ATOM 943 CA ASP A 59 -15.854 -2.457 -3.480 1.00 4.13 C ATOM 944 C ASP A 59 -15.955 -3.297 -4.770 1.00 73.02 C ATOM 945 O ASP A 59 -14.940 -3.710 -5.332 1.00 11.42 O ATOM 946 CB ASP A 59 -16.117 -0.982 -3.825 1.00 70.31 C ATOM 947 CG ASP A 59 -16.332 -0.105 -2.607 1.00 43.42 C ATOM 948 OD1 ASP A 59 -17.002 -0.552 -1.653 1.00 4.45 O ATOM 949 OD2 ASP A 59 -15.871 1.053 -2.614 1.00 13.22 O ATOM 0 H ASP A 59 -13.913 -1.811 -3.004 1.00 30.22 H new ATOM 0 HA ASP A 59 -16.598 -2.807 -2.765 1.00 4.13 H new ATOM 0 HB2 ASP A 59 -15.274 -0.595 -4.397 1.00 70.31 H new ATOM 0 HB3 ASP A 59 -16.995 -0.918 -4.468 1.00 70.31 H new ATOM 954 N PRO A 60 -17.184 -3.536 -5.281 1.00 43.50 N ATOM 955 CA PRO A 60 -17.380 -4.179 -6.599 1.00 2.12 C ATOM 956 C PRO A 60 -16.924 -3.275 -7.765 1.00 5.23 C ATOM 957 O PRO A 60 -17.106 -3.606 -8.939 1.00 1.23 O ATOM 958 CB PRO A 60 -18.899 -4.420 -6.652 1.00 42.23 C ATOM 959 CG PRO A 60 -19.477 -3.400 -5.726 1.00 74.22 C ATOM 960 CD PRO A 60 -18.469 -3.228 -4.621 1.00 54.34 C ATOM 0 HA PRO A 60 -16.790 -5.089 -6.706 1.00 2.12 H new ATOM 0 HB2 PRO A 60 -19.284 -4.299 -7.665 1.00 42.23 H new ATOM 0 HB3 PRO A 60 -19.151 -5.432 -6.334 1.00 42.23 H new ATOM 0 HG2 PRO A 60 -19.653 -2.457 -6.244 1.00 74.22 H new ATOM 0 HG3 PRO A 60 -20.437 -3.731 -5.331 1.00 74.22 H new ATOM 0 HD2 PRO A 60 -18.482 -2.215 -4.219 1.00 54.34 H new ATOM 0 HD3 PRO A 60 -18.666 -3.904 -3.789 1.00 54.34 H new ATOM 968 N ASP A 61 -16.341 -2.125 -7.419 1.00 73.44 N ATOM 969 CA ASP A 61 -15.804 -1.172 -8.394 1.00 62.52 C ATOM 970 C ASP A 61 -14.557 -1.738 -9.096 1.00 53.01 C ATOM 971 O ASP A 61 -14.355 -1.527 -10.295 1.00 13.13 O ATOM 972 CB ASP A 61 -15.453 0.137 -7.665 1.00 1.20 C ATOM 973 CG ASP A 61 -15.012 1.256 -8.599 1.00 22.25 C ATOM 974 OD1 ASP A 61 -13.841 1.255 -9.037 1.00 74.11 O ATOM 975 OD2 ASP A 61 -15.828 2.159 -8.879 1.00 73.51 O ATOM 0 H ASP A 61 -16.227 -1.827 -6.450 1.00 73.44 H new ATOM 0 HA ASP A 61 -16.557 -0.984 -9.159 1.00 62.52 H new ATOM 0 HB2 ASP A 61 -16.321 0.471 -7.097 1.00 1.20 H new ATOM 0 HB3 ASP A 61 -14.658 -0.059 -6.946 1.00 1.20 H new ATOM 980 N LYS A 62 -13.736 -2.468 -8.342 1.00 74.42 N ATOM 981 CA LYS A 62 -12.459 -2.980 -8.850 1.00 73.12 C ATOM 982 C LYS A 62 -12.649 -4.130 -9.855 1.00 21.31 C ATOM 983 O LYS A 62 -13.676 -4.810 -9.862 1.00 30.22 O ATOM 984 CB LYS A 62 -11.581 -3.439 -7.674 1.00 52.34 C ATOM 985 CG LYS A 62 -10.147 -3.802 -8.061 1.00 63.51 C ATOM 986 CD LYS A 62 -9.432 -2.643 -8.763 1.00 3.32 C ATOM 987 CE LYS A 62 -9.404 -1.379 -7.908 1.00 51.41 C ATOM 988 NZ LYS A 62 -8.837 -0.223 -8.651 1.00 73.13 N ATOM 0 H LYS A 62 -13.931 -2.720 -7.373 1.00 74.42 H new ATOM 0 HA LYS A 62 -11.966 -2.168 -9.384 1.00 73.12 H new ATOM 0 HB2 LYS A 62 -11.553 -2.646 -6.926 1.00 52.34 H new ATOM 0 HB3 LYS A 62 -12.048 -4.305 -7.204 1.00 52.34 H new ATOM 0 HG2 LYS A 62 -9.590 -4.083 -7.167 1.00 63.51 H new ATOM 0 HG3 LYS A 62 -10.158 -4.672 -8.717 1.00 63.51 H new ATOM 0 HD2 LYS A 62 -8.411 -2.940 -9.002 1.00 3.32 H new ATOM 0 HD3 LYS A 62 -9.932 -2.429 -9.708 1.00 3.32 H new ATOM 0 HE2 LYS A 62 -10.415 -1.140 -7.580 1.00 51.41 H new ATOM 0 HE3 LYS A 62 -8.812 -1.560 -7.011 1.00 51.41 H new ATOM 0 HZ1 LYS A 62 -8.835 0.617 -8.037 1.00 73.13 H new ATOM 0 HZ2 LYS A 62 -7.863 -0.442 -8.942 1.00 73.13 H new ATOM 0 HZ3 LYS A 62 -9.416 -0.034 -9.494 1.00 73.13 H new ATOM 1002 N GLU A 63 -11.648 -4.329 -10.711 1.00 73.13 N ATOM 1003 CA GLU A 63 -11.685 -5.379 -11.731 1.00 13.34 C ATOM 1004 C GLU A 63 -11.282 -6.750 -11.161 1.00 62.04 C ATOM 1005 O GLU A 63 -10.735 -6.857 -10.060 1.00 32.12 O ATOM 1006 CB GLU A 63 -10.755 -5.027 -12.905 1.00 3.15 C ATOM 1007 CG GLU A 63 -10.996 -3.651 -13.527 1.00 43.45 C ATOM 1008 CD GLU A 63 -10.451 -2.506 -12.681 1.00 74.34 C ATOM 1009 OE1 GLU A 63 -9.234 -2.241 -12.749 1.00 23.24 O ATOM 1010 OE2 GLU A 63 -11.235 -1.866 -11.950 1.00 54.32 O ATOM 0 H GLU A 63 -10.794 -3.772 -10.719 1.00 73.13 H new ATOM 0 HA GLU A 63 -12.715 -5.442 -12.082 1.00 13.34 H new ATOM 0 HB2 GLU A 63 -9.722 -5.078 -12.559 1.00 3.15 H new ATOM 0 HB3 GLU A 63 -10.869 -5.785 -13.680 1.00 3.15 H new ATOM 0 HG2 GLU A 63 -10.532 -3.619 -14.513 1.00 43.45 H new ATOM 0 HG3 GLU A 63 -12.067 -3.508 -13.674 1.00 43.45 H new ATOM 1017 N LEU A 64 -11.536 -7.798 -11.942 1.00 52.52 N ATOM 1018 CA LEU A 64 -11.178 -9.167 -11.565 1.00 64.44 C ATOM 1019 C LEU A 64 -10.429 -9.863 -12.716 1.00 60.42 C ATOM 1020 O LEU A 64 -10.953 -10.760 -13.380 1.00 55.41 O ATOM 1021 CB LEU A 64 -12.423 -9.979 -11.146 1.00 53.40 C ATOM 1022 CG LEU A 64 -13.591 -10.033 -12.159 1.00 71.14 C ATOM 1023 CD1 LEU A 64 -14.551 -11.164 -11.803 1.00 53.53 C ATOM 1024 CD2 LEU A 64 -14.346 -8.704 -12.206 1.00 73.40 C ATOM 0 H LEU A 64 -11.994 -7.725 -12.851 1.00 52.52 H new ATOM 0 HA LEU A 64 -10.514 -9.116 -10.702 1.00 64.44 H new ATOM 0 HB2 LEU A 64 -12.108 -11.001 -10.936 1.00 53.40 H new ATOM 0 HB3 LEU A 64 -12.802 -9.564 -10.212 1.00 53.40 H new ATOM 0 HG LEU A 64 -13.168 -10.220 -13.146 1.00 71.14 H new ATOM 0 HD11 LEU A 64 -15.367 -11.189 -12.525 1.00 53.53 H new ATOM 0 HD12 LEU A 64 -14.018 -12.114 -11.825 1.00 53.53 H new ATOM 0 HD13 LEU A 64 -14.955 -10.998 -10.804 1.00 53.53 H new ATOM 0 HD21 LEU A 64 -15.161 -8.774 -12.927 1.00 73.40 H new ATOM 0 HD22 LEU A 64 -14.752 -8.481 -11.219 1.00 73.40 H new ATOM 0 HD23 LEU A 64 -13.664 -7.908 -12.505 1.00 73.40 H new ATOM 1036 N GLU A 65 -9.202 -9.422 -12.963 1.00 44.33 N ATOM 1037 CA GLU A 65 -8.399 -9.945 -14.070 1.00 61.30 C ATOM 1038 C GLU A 65 -7.757 -11.297 -13.710 1.00 71.20 C ATOM 1039 O GLU A 65 -6.596 -11.365 -13.308 1.00 43.53 O ATOM 1040 CB GLU A 65 -7.324 -8.923 -14.465 1.00 24.23 C ATOM 1041 CG GLU A 65 -7.880 -7.530 -14.762 1.00 71.32 C ATOM 1042 CD GLU A 65 -8.944 -7.535 -15.852 1.00 43.25 C ATOM 1043 OE1 GLU A 65 -8.586 -7.720 -17.037 1.00 51.53 O ATOM 1044 OE2 GLU A 65 -10.146 -7.375 -15.530 1.00 42.41 O ATOM 0 H GLU A 65 -8.737 -8.701 -12.412 1.00 44.33 H new ATOM 0 HA GLU A 65 -9.060 -10.113 -14.921 1.00 61.30 H new ATOM 0 HB2 GLU A 65 -6.593 -8.849 -13.660 1.00 24.23 H new ATOM 0 HB3 GLU A 65 -6.794 -9.288 -15.345 1.00 24.23 H new ATOM 0 HG2 GLU A 65 -8.304 -7.112 -13.849 1.00 71.32 H new ATOM 0 HG3 GLU A 65 -7.062 -6.875 -15.063 1.00 71.32 H new ATOM 1051 N HIS A 66 -8.536 -12.368 -13.841 1.00 72.23 N ATOM 1052 CA HIS A 66 -8.079 -13.718 -13.477 1.00 24.53 C ATOM 1053 C HIS A 66 -7.474 -14.467 -14.685 1.00 54.52 C ATOM 1054 O HIS A 66 -7.281 -15.682 -14.642 1.00 24.11 O ATOM 1055 CB HIS A 66 -9.262 -14.509 -12.889 1.00 64.24 C ATOM 1056 CG HIS A 66 -8.886 -15.843 -12.306 1.00 21.15 C ATOM 1057 ND1 HIS A 66 -9.282 -17.045 -12.850 1.00 52.25 N ATOM 1058 CD2 HIS A 66 -8.151 -16.159 -11.213 1.00 24.34 C ATOM 1059 CE1 HIS A 66 -8.810 -18.035 -12.122 1.00 2.53 C ATOM 1060 NE2 HIS A 66 -8.120 -17.528 -11.123 1.00 13.14 N ATOM 0 H HIS A 66 -9.491 -12.333 -14.197 1.00 72.23 H new ATOM 0 HA HIS A 66 -7.289 -13.625 -12.732 1.00 24.53 H new ATOM 0 HB2 HIS A 66 -9.736 -13.908 -12.114 1.00 64.24 H new ATOM 0 HB3 HIS A 66 -10.005 -14.664 -13.671 1.00 64.24 H new ATOM 0 HD2 HIS A 66 -7.677 -15.462 -10.537 1.00 24.34 H new ATOM 0 HE1 HIS A 66 -8.963 -19.087 -12.313 1.00 2.53 H new ATOM 0 HE2 HIS A 66 -7.641 -18.065 -10.400 1.00 13.14 H new ATOM 1069 N HIS A 67 -7.168 -13.743 -15.764 1.00 2.41 N ATOM 1070 CA HIS A 67 -6.558 -14.350 -16.958 1.00 74.51 C ATOM 1071 C HIS A 67 -5.234 -13.661 -17.330 1.00 63.13 C ATOM 1072 O HIS A 67 -5.226 -12.548 -17.855 1.00 62.22 O ATOM 1073 CB HIS A 67 -7.533 -14.293 -18.144 1.00 72.13 C ATOM 1074 CG HIS A 67 -8.787 -15.089 -17.933 1.00 24.01 C ATOM 1075 ND1 HIS A 67 -8.938 -16.386 -18.369 1.00 13.30 N ATOM 1076 CD2 HIS A 67 -9.957 -14.766 -17.328 1.00 74.13 C ATOM 1077 CE1 HIS A 67 -10.134 -16.826 -18.043 1.00 31.13 C ATOM 1078 NE2 HIS A 67 -10.775 -15.865 -17.411 1.00 10.35 N ATOM 0 H HIS A 67 -7.330 -12.739 -15.839 1.00 2.41 H new ATOM 0 HA HIS A 67 -6.339 -15.392 -16.723 1.00 74.51 H new ATOM 0 HB2 HIS A 67 -7.801 -13.253 -18.333 1.00 72.13 H new ATOM 0 HB3 HIS A 67 -7.027 -14.659 -19.037 1.00 72.13 H new ATOM 0 HD2 HIS A 67 -10.200 -13.820 -16.867 1.00 74.13 H new ATOM 0 HE1 HIS A 67 -10.524 -17.810 -18.258 1.00 31.13 H new ATOM 0 HE2 HIS A 67 -11.724 -15.927 -17.043 1.00 10.35 H new ATOM 1087 N HIS A 68 -4.114 -14.321 -17.029 1.00 31.01 N ATOM 1088 CA HIS A 68 -2.777 -13.817 -17.375 1.00 32.02 C ATOM 1089 C HIS A 68 -1.816 -14.976 -17.693 1.00 11.53 C ATOM 1090 O HIS A 68 -2.094 -16.132 -17.384 1.00 61.12 O ATOM 1091 CB HIS A 68 -2.189 -12.982 -16.225 1.00 5.23 C ATOM 1092 CG HIS A 68 -2.934 -11.712 -15.936 1.00 25.44 C ATOM 1093 ND1 HIS A 68 -3.519 -11.442 -14.720 1.00 22.32 N ATOM 1094 CD2 HIS A 68 -3.172 -10.628 -16.711 1.00 40.35 C ATOM 1095 CE1 HIS A 68 -4.085 -10.254 -14.757 1.00 3.32 C ATOM 1096 NE2 HIS A 68 -3.890 -9.736 -15.953 1.00 23.31 N ATOM 0 H HIS A 68 -4.104 -15.216 -16.541 1.00 31.01 H new ATOM 0 HA HIS A 68 -2.888 -13.188 -18.258 1.00 32.02 H new ATOM 0 HB2 HIS A 68 -2.171 -13.592 -15.322 1.00 5.23 H new ATOM 0 HB3 HIS A 68 -1.154 -12.736 -16.463 1.00 5.23 H new ATOM 0 HD2 HIS A 68 -2.856 -10.490 -17.735 1.00 40.35 H new ATOM 0 HE1 HIS A 68 -4.619 -9.783 -13.945 1.00 3.32 H new ATOM 0 HE2 HIS A 68 -4.219 -8.822 -16.265 1.00 23.31 H new ATOM 1105 N HIS A 69 -0.684 -14.656 -18.314 1.00 64.04 N ATOM 1106 CA HIS A 69 0.366 -15.649 -18.581 1.00 63.22 C ATOM 1107 C HIS A 69 1.703 -15.189 -17.981 1.00 32.43 C ATOM 1108 O HIS A 69 2.385 -14.332 -18.542 1.00 12.44 O ATOM 1109 CB HIS A 69 0.513 -15.887 -20.094 1.00 62.31 C ATOM 1110 CG HIS A 69 -0.776 -16.248 -20.772 1.00 42.23 C ATOM 1111 ND1 HIS A 69 -1.366 -15.457 -21.736 1.00 31.10 N ATOM 1112 CD2 HIS A 69 -1.598 -17.316 -20.617 1.00 63.53 C ATOM 1113 CE1 HIS A 69 -2.487 -16.015 -22.140 1.00 13.52 C ATOM 1114 NE2 HIS A 69 -2.652 -17.142 -21.479 1.00 24.42 N ATOM 0 H HIS A 69 -0.465 -13.716 -18.644 1.00 64.04 H new ATOM 0 HA HIS A 69 0.078 -16.589 -18.110 1.00 63.22 H new ATOM 0 HB2 HIS A 69 0.918 -14.988 -20.557 1.00 62.31 H new ATOM 0 HB3 HIS A 69 1.237 -16.685 -20.259 1.00 62.31 H new ATOM 0 HD2 HIS A 69 -1.451 -18.147 -19.943 1.00 63.53 H new ATOM 0 HE1 HIS A 69 -3.158 -15.617 -22.887 1.00 13.52 H new ATOM 0 HE2 HIS A 69 -3.438 -17.783 -21.590 1.00 24.42 H new ATOM 1123 N HIS A 70 2.055 -15.742 -16.820 1.00 73.21 N ATOM 1124 CA HIS A 70 3.288 -15.368 -16.112 1.00 13.22 C ATOM 1125 C HIS A 70 3.996 -16.590 -15.512 1.00 13.13 C ATOM 1126 O HIS A 70 3.373 -17.415 -14.840 1.00 60.41 O ATOM 1127 CB HIS A 70 2.982 -14.360 -14.987 1.00 63.41 C ATOM 1128 CG HIS A 70 2.910 -12.933 -15.441 1.00 4.23 C ATOM 1129 ND1 HIS A 70 3.942 -12.038 -15.252 1.00 12.11 N ATOM 1130 CD2 HIS A 70 1.923 -12.235 -16.055 1.00 64.12 C ATOM 1131 CE1 HIS A 70 3.598 -10.860 -15.731 1.00 23.12 C ATOM 1132 NE2 HIS A 70 2.380 -10.952 -16.221 1.00 53.51 N ATOM 0 H HIS A 70 1.502 -16.455 -16.344 1.00 73.21 H new ATOM 0 HA HIS A 70 3.950 -14.912 -16.848 1.00 13.22 H new ATOM 0 HB2 HIS A 70 2.034 -14.629 -14.522 1.00 63.41 H new ATOM 0 HB3 HIS A 70 3.750 -14.446 -14.219 1.00 63.41 H new ATOM 0 HD2 HIS A 70 0.959 -12.617 -16.357 1.00 64.12 H new ATOM 0 HE1 HIS A 70 4.211 -9.971 -15.723 1.00 23.12 H new ATOM 0 HE2 HIS A 70 1.859 -10.190 -16.655 1.00 53.51 H new ATOM 1141 N HIS A 71 5.299 -16.699 -15.762 1.00 33.54 N ATOM 1142 CA HIS A 71 6.136 -17.722 -15.119 1.00 2.50 C ATOM 1143 C HIS A 71 7.000 -17.100 -14.001 1.00 54.10 C ATOM 1144 O HIS A 71 8.214 -16.881 -14.217 1.00 37.77 O ATOM 1145 CB HIS A 71 7.025 -18.421 -16.165 1.00 71.11 C ATOM 1146 CG HIS A 71 6.281 -19.384 -17.042 1.00 13.12 C ATOM 1147 ND1 HIS A 71 6.089 -19.200 -18.394 1.00 34.32 N ATOM 1148 CD2 HIS A 71 5.709 -20.573 -16.748 1.00 74.42 C ATOM 1149 CE1 HIS A 71 5.432 -20.230 -18.890 1.00 34.01 C ATOM 1150 NE2 HIS A 71 5.192 -21.081 -17.913 1.00 62.54 N ATOM 1151 OXT HIS A 71 6.450 -16.797 -12.919 1.00 37.77 O ATOM 0 H HIS A 71 5.804 -16.091 -16.407 1.00 33.54 H new ATOM 0 HA HIS A 71 5.481 -18.467 -14.666 1.00 2.50 H new ATOM 0 HB2 HIS A 71 7.498 -17.664 -16.791 1.00 71.11 H new ATOM 0 HB3 HIS A 71 7.825 -18.955 -15.651 1.00 71.11 H new ATOM 0 HD2 HIS A 71 5.667 -21.038 -15.774 1.00 74.42 H new ATOM 0 HE1 HIS A 71 5.140 -20.355 -19.922 1.00 34.01 H new ATOM 0 HE2 HIS A 71 4.702 -21.971 -18.007 1.00 62.54 H new TER 1160 HIS A 71