USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 972 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 99 GLN :FLIP amide:sc= 0.404 F(o=-0.17,f=0.84) USER MOD Set 1.2: A 101 SER OG : rot 118:sc= 0.433 USER MOD Set 2.1: A 97 TYR OH : rot -79:sc= 0.0121 USER MOD Set 2.2: A 112 SER OG : rot 129:sc= 1.23 USER MOD Set 3.1: A 84 GLN : amide:sc= 1.08 K(o=1.5,f=0.5) USER MOD Set 3.2: A 93 ASN : amide:sc= 0.415 X(o=1.5,f=1.2) USER MOD Set 4.1: A 52 HIS : no HD1:sc= 1.28 K(o=2.4,f=-8.4!) USER MOD Set 4.2: A 58 THR OG1 : rot -70:sc= 1.16 USER MOD Set 5.1: A 53 TYR OH : rot -109:sc= 1.07 USER MOD Set 5.2: A 57 HIS : no HE2:sc= 1.26 K(o=2.3,f=-8.8!) USER MOD Set 6.1: A 38 THR OG1 : rot 170:sc= 0.00584 USER MOD Set 6.2: A 51 GLN : amide:sc= -1.04 K(o=-1.1,f=-2.5) USER MOD Set 6.3: A 59 MET CE :methyl -152:sc= -0.0478 (180deg=-1.38) USER MOD Set 7.1: A 18 MET CE :methyl 153:sc= -0.324 (180deg=-1.9!) USER MOD Set 7.2: A 119 TYR OH : rot 180:sc= -0.122 USER MOD Set 8.1: A 3 THR OG1 : rot -147:sc= -0.0215 USER MOD Set 8.2: A 41 GLN : amide:sc= 0.679 K(o=0.66,f=-1.1) USER MOD Single : A 1 ALA N :NH3+ 150:sc= 0.0575 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= -0.559 (180deg=-0.649) USER MOD Single : A 8 MET CE :methyl -153:sc= 0 (180deg=-0.29) USER MOD Single : A 10 SER OG : rot 30:sc= 0.491 USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= -0.0566 (180deg=-0.442) USER MOD Single : A 13 ASN : amide:sc= -0.0623 X(o=-0.062,f=-0.074) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -107:sc= 1.09 USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= 2.55 (180deg=2.32) USER MOD Single : A 33 ASN : amide:sc= 1.25 K(o=1.3,f=-0.0073) USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= 3.61 (180deg=3.45) USER MOD Single : A 42 GLN : amide:sc= -3.06! C(o=-3.1!,f=-6.1!) USER MOD Single : A 45 GLN : amide:sc= 0.0226 X(o=0.023,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.0837 K(o=0.084,f=-0.97) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -89:sc= 1.04 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 69:sc= 0.586 USER MOD Single : A 70 ASN : amide:sc=-0.00885 K(o=-0.0088,f=-0.93) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 170:sc= 0.902 USER MOD Single : A 74 MET CE :methyl 168:sc= 0 (180deg=-0.0222) USER MOD Single : A 77 LYS NZ :NH3+ -141:sc= 0.192 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= -0.058 (180deg=-0.232) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 163:sc= -0.0299 (180deg=-0.354) USER MOD Single : A 89 LYS NZ :NH3+ -125:sc= 0.368 (180deg=-3.41!) USER MOD Single : A 96 ASN : amide:sc=-0.000344 X(o=-0.00034,f=-0.091) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 100 THR OG1 : rot 29:sc= -0.275 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 157:sc= -1.28 USER MOD Single : A 124 LYS NZ :NH3+ -158:sc= 1.23 (180deg=0.392) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -25.143 10.682 13.296 1.00 0.66 N ATOM 2 CA ALA A 1 -25.079 11.608 14.442 1.00 0.48 C ATOM 3 C ALA A 1 -24.434 12.910 13.995 1.00 0.53 C ATOM 4 O ALA A 1 -23.511 12.867 13.191 1.00 1.01 O ATOM 5 CB ALA A 1 -24.352 10.993 15.644 1.00 0.50 C ATOM 0 H1 ALA A 1 -25.085 9.702 13.638 1.00 0.66 H new ATOM 0 H2 ALA A 1 -26.040 10.819 12.788 1.00 0.66 H new ATOM 0 H3 ALA A 1 -24.348 10.871 12.652 1.00 0.66 H new ATOM 0 HA ALA A 1 -26.094 11.813 14.783 1.00 0.48 H new ATOM 0 HB1 ALA A 1 -24.330 11.712 16.463 1.00 0.50 H new ATOM 0 HB2 ALA A 1 -24.877 10.093 15.965 1.00 0.50 H new ATOM 0 HB3 ALA A 1 -23.332 10.736 15.360 1.00 0.50 H new ATOM 13 N PHE A 2 -24.960 14.040 14.464 1.00 0.29 N ATOM 14 CA PHE A 2 -24.579 15.404 14.048 1.00 0.26 C ATOM 15 C PHE A 2 -24.038 16.275 15.205 1.00 0.27 C ATOM 16 O PHE A 2 -24.059 17.494 15.163 1.00 0.36 O ATOM 17 CB PHE A 2 -25.780 16.035 13.335 1.00 0.26 C ATOM 18 CG PHE A 2 -26.285 15.235 12.154 1.00 0.25 C ATOM 19 CD1 PHE A 2 -25.654 15.326 10.903 1.00 0.27 C ATOM 20 CD2 PHE A 2 -27.409 14.408 12.310 1.00 0.24 C ATOM 21 CE1 PHE A 2 -26.146 14.593 9.808 1.00 0.27 C ATOM 22 CE2 PHE A 2 -27.888 13.659 11.223 1.00 0.25 C ATOM 23 CZ PHE A 2 -27.264 13.760 9.970 1.00 0.25 C ATOM 0 H PHE A 2 -25.693 14.039 15.173 1.00 0.29 H new ATOM 0 HA PHE A 2 -23.736 15.342 13.360 1.00 0.26 H new ATOM 0 HB2 PHE A 2 -26.592 16.157 14.052 1.00 0.26 H new ATOM 0 HB3 PHE A 2 -25.504 17.033 12.993 1.00 0.26 H new ATOM 0 HD1 PHE A 2 -24.789 15.961 10.781 1.00 0.27 H new ATOM 0 HD2 PHE A 2 -27.906 14.348 13.267 1.00 0.24 H new ATOM 0 HE1 PHE A 2 -25.664 14.671 8.844 1.00 0.27 H new ATOM 0 HE2 PHE A 2 -28.737 13.005 11.351 1.00 0.25 H new ATOM 0 HZ PHE A 2 -27.644 13.197 9.130 1.00 0.25 H new ATOM 33 N THR A 3 -23.673 15.588 16.297 1.00 0.23 N ATOM 34 CA THR A 3 -23.212 16.123 17.581 1.00 0.22 C ATOM 35 C THR A 3 -22.022 17.068 17.478 1.00 0.23 C ATOM 36 O THR A 3 -21.009 16.746 16.855 1.00 0.27 O ATOM 37 CB THR A 3 -22.916 14.975 18.565 1.00 0.26 C ATOM 38 OG1 THR A 3 -23.980 14.045 18.546 1.00 0.27 O ATOM 39 CG2 THR A 3 -22.673 15.415 20.006 1.00 0.27 C ATOM 0 H THR A 3 -23.695 14.568 16.304 1.00 0.23 H new ATOM 0 HA THR A 3 -24.032 16.733 17.961 1.00 0.22 H new ATOM 0 HB THR A 3 -21.984 14.530 18.218 1.00 0.26 H new ATOM 0 HG1 THR A 3 -24.087 13.653 19.438 1.00 0.27 H new ATOM 0 HG21 THR A 3 -22.473 14.540 20.625 1.00 0.27 H new ATOM 0 HG22 THR A 3 -21.816 16.088 20.041 1.00 0.27 H new ATOM 0 HG23 THR A 3 -23.556 15.932 20.382 1.00 0.27 H new ATOM 47 N GLY A 4 -22.111 18.215 18.148 1.00 0.22 N ATOM 48 CA GLY A 4 -21.068 19.262 18.122 1.00 0.25 C ATOM 49 C GLY A 4 -21.606 20.652 18.489 1.00 0.26 C ATOM 50 O GLY A 4 -22.737 20.739 18.968 1.00 0.46 O ATOM 0 H GLY A 4 -22.912 18.455 18.732 1.00 0.22 H new ATOM 0 HA2 GLY A 4 -20.272 18.992 18.816 1.00 0.25 H new ATOM 0 HA3 GLY A 4 -20.624 19.301 17.127 1.00 0.25 H new ATOM 54 N LYS A 5 -20.845 21.743 18.254 1.00 0.24 N ATOM 55 CA LYS A 5 -21.273 23.127 18.481 1.00 0.23 C ATOM 56 C LYS A 5 -20.679 23.988 17.406 1.00 0.20 C ATOM 57 O LYS A 5 -19.507 23.907 17.075 1.00 0.22 O ATOM 58 CB LYS A 5 -20.872 23.687 19.865 1.00 0.30 C ATOM 59 CG LYS A 5 -21.437 25.095 20.273 1.00 0.36 C ATOM 60 CD LYS A 5 -20.351 26.216 20.185 1.00 0.38 C ATOM 61 CE LYS A 5 -20.940 27.479 20.821 1.00 0.41 C ATOM 62 NZ LYS A 5 -20.090 28.610 20.652 1.00 0.73 N ATOM 0 H LYS A 5 -19.894 21.676 17.892 1.00 0.24 H new ATOM 0 HA LYS A 5 -22.363 23.136 18.454 1.00 0.23 H new ATOM 0 HB2 LYS A 5 -21.185 22.968 20.622 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -19.784 23.738 19.904 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -22.274 25.351 19.623 1.00 0.36 H new ATOM 0 HG3 LYS A 5 -21.826 25.048 21.290 1.00 0.36 H new ATOM 0 HD2 LYS A 5 -19.443 25.912 20.706 1.00 0.38 H new ATOM 0 HD3 LYS A 5 -20.076 26.402 19.147 1.00 0.38 H new ATOM 0 HE2 LYS A 5 -21.913 27.688 20.377 1.00 0.41 H new ATOM 0 HE3 LYS A 5 -21.105 27.306 21.884 1.00 0.41 H new ATOM 0 HZ1 LYS A 5 -20.571 29.461 21.006 1.00 0.73 H new ATOM 0 HZ2 LYS A 5 -19.208 28.464 21.183 1.00 0.73 H new ATOM 0 HZ3 LYS A 5 -19.870 28.731 19.643 1.00 0.73 H new ATOM 76 N PHE A 6 -21.559 24.744 16.772 1.00 0.22 N ATOM 77 CA PHE A 6 -21.454 25.176 15.389 1.00 0.25 C ATOM 78 C PHE A 6 -21.904 26.638 15.331 1.00 0.23 C ATOM 79 O PHE A 6 -22.758 27.085 16.093 1.00 0.27 O ATOM 80 CB PHE A 6 -22.379 24.289 14.529 1.00 0.43 C ATOM 81 CG PHE A 6 -22.261 22.793 14.751 1.00 0.28 C ATOM 82 CD1 PHE A 6 -21.049 22.156 14.451 1.00 0.30 C ATOM 83 CD2 PHE A 6 -23.357 22.023 15.175 1.00 0.24 C ATOM 84 CE1 PHE A 6 -20.906 20.765 14.589 1.00 0.23 C ATOM 85 CE2 PHE A 6 -23.222 20.631 15.305 1.00 0.26 C ATOM 86 CZ PHE A 6 -22.003 20.001 15.003 1.00 0.24 C ATOM 0 H PHE A 6 -22.404 25.089 17.228 1.00 0.22 H new ATOM 0 HA PHE A 6 -20.435 25.088 15.012 1.00 0.25 H new ATOM 0 HB2 PHE A 6 -23.411 24.584 14.718 1.00 0.43 H new ATOM 0 HB3 PHE A 6 -22.176 24.498 13.479 1.00 0.43 H new ATOM 0 HD1 PHE A 6 -20.211 22.744 14.108 1.00 0.30 H new ATOM 0 HD2 PHE A 6 -24.300 22.500 15.400 1.00 0.24 H new ATOM 0 HE1 PHE A 6 -19.959 20.290 14.378 1.00 0.23 H new ATOM 0 HE2 PHE A 6 -24.062 20.040 15.640 1.00 0.26 H new ATOM 0 HZ PHE A 6 -21.913 18.928 15.090 1.00 0.24 H new ATOM 96 N GLU A 7 -21.306 27.395 14.424 1.00 0.25 N ATOM 97 CA GLU A 7 -21.469 28.840 14.284 1.00 0.32 C ATOM 98 C GLU A 7 -21.568 29.218 12.796 1.00 0.32 C ATOM 99 O GLU A 7 -20.759 28.752 11.987 1.00 0.37 O ATOM 100 CB GLU A 7 -20.276 29.452 15.022 1.00 0.44 C ATOM 101 CG GLU A 7 -20.168 30.974 15.016 1.00 1.10 C ATOM 102 CD GLU A 7 -18.912 31.375 15.798 1.00 1.18 C ATOM 103 OE1 GLU A 7 -18.812 30.907 16.958 1.00 1.10 O ATOM 104 OE2 GLU A 7 -18.054 32.129 15.279 1.00 1.98 O ATOM 0 H GLU A 7 -20.665 27.005 13.733 1.00 0.25 H new ATOM 0 HA GLU A 7 -22.392 29.224 14.719 1.00 0.32 H new ATOM 0 HB2 GLU A 7 -20.311 29.118 16.059 1.00 0.44 H new ATOM 0 HB3 GLU A 7 -19.363 29.045 14.587 1.00 0.44 H new ATOM 0 HG2 GLU A 7 -20.112 31.346 13.993 1.00 1.10 H new ATOM 0 HG3 GLU A 7 -21.054 31.419 15.469 1.00 1.10 H new ATOM 111 N MET A 8 -22.719 29.758 12.393 1.00 0.37 N ATOM 112 CA MET A 8 -23.048 30.140 11.016 1.00 0.35 C ATOM 113 C MET A 8 -22.581 31.558 10.694 1.00 0.42 C ATOM 114 O MET A 8 -22.851 32.481 11.451 1.00 0.67 O ATOM 115 CB MET A 8 -24.559 30.009 10.783 1.00 0.39 C ATOM 116 CG MET A 8 -25.002 30.389 9.368 1.00 0.51 C ATOM 117 SD MET A 8 -26.759 30.154 9.041 1.00 0.97 S ATOM 118 CE MET A 8 -27.433 31.710 9.675 1.00 0.35 C ATOM 0 H MET A 8 -23.481 29.950 13.044 1.00 0.37 H new ATOM 0 HA MET A 8 -22.519 29.462 10.346 1.00 0.35 H new ATOM 0 HB2 MET A 8 -24.860 28.981 10.984 1.00 0.39 H new ATOM 0 HB3 MET A 8 -25.084 30.641 11.500 1.00 0.39 H new ATOM 0 HG2 MET A 8 -24.750 31.435 9.191 1.00 0.51 H new ATOM 0 HG3 MET A 8 -24.431 29.798 8.652 1.00 0.51 H new ATOM 0 HE1 MET A 8 -28.464 31.557 9.993 1.00 0.35 H new ATOM 0 HE2 MET A 8 -26.837 32.045 10.524 1.00 0.35 H new ATOM 0 HE3 MET A 8 -27.404 32.466 8.890 1.00 0.35 H new ATOM 128 N GLU A 9 -22.155 31.750 9.448 1.00 0.45 N ATOM 129 CA GLU A 9 -22.130 32.995 8.781 1.00 0.55 C ATOM 130 C GLU A 9 -22.630 32.637 7.327 1.00 0.57 C ATOM 131 O GLU A 9 -21.846 32.128 6.526 1.00 1.27 O ATOM 132 CB GLU A 9 -20.703 33.649 8.772 1.00 1.10 C ATOM 133 CG GLU A 9 -20.900 35.234 8.860 1.00 1.63 C ATOM 134 CD GLU A 9 -21.506 35.805 7.572 1.00 2.20 C ATOM 135 OE1 GLU A 9 -22.767 35.708 7.337 1.00 2.52 O ATOM 136 OE2 GLU A 9 -20.786 36.287 6.657 1.00 2.75 O ATOM 0 H GLU A 9 -21.806 30.986 8.870 1.00 0.45 H new ATOM 0 HA GLU A 9 -22.752 33.743 9.273 1.00 0.55 H new ATOM 0 HB2 GLU A 9 -20.111 33.289 9.613 1.00 1.10 H new ATOM 0 HB3 GLU A 9 -20.163 33.380 7.864 1.00 1.10 H new ATOM 0 HG2 GLU A 9 -21.547 35.474 9.704 1.00 1.63 H new ATOM 0 HG3 GLU A 9 -19.938 35.710 9.051 1.00 1.63 H new ATOM 143 N SER A 10 -23.931 32.830 7.013 1.00 0.59 N ATOM 144 CA SER A 10 -24.494 32.496 5.694 1.00 0.94 C ATOM 145 C SER A 10 -25.784 33.231 5.523 1.00 0.68 C ATOM 146 O SER A 10 -26.253 33.771 6.524 1.00 1.26 O ATOM 147 CB SER A 10 -24.680 30.958 5.425 1.00 1.86 C ATOM 148 OG SER A 10 -23.528 30.282 5.010 1.00 2.52 O ATOM 0 H SER A 10 -24.612 33.219 7.665 1.00 0.59 H new ATOM 0 HA SER A 10 -23.763 32.813 4.950 1.00 0.94 H new ATOM 0 HB2 SER A 10 -25.049 30.488 6.337 1.00 1.86 H new ATOM 0 HB3 SER A 10 -25.451 30.829 4.665 1.00 1.86 H new ATOM 0 HG SER A 10 -22.738 30.715 5.395 1.00 2.52 H new ATOM 154 N GLU A 11 -26.317 33.192 4.250 1.00 0.49 N ATOM 155 CA GLU A 11 -27.361 34.114 3.870 1.00 0.37 C ATOM 156 C GLU A 11 -27.950 33.857 2.511 1.00 0.30 C ATOM 157 O GLU A 11 -28.114 34.817 1.766 1.00 0.40 O ATOM 158 CB GLU A 11 -26.743 35.580 3.820 1.00 0.77 C ATOM 159 CG GLU A 11 -27.715 36.691 4.298 1.00 0.96 C ATOM 160 CD GLU A 11 -27.026 38.076 4.528 1.00 1.37 C ATOM 161 OE1 GLU A 11 -26.191 38.123 5.495 1.00 1.92 O ATOM 162 OE2 GLU A 11 -27.260 39.027 3.736 1.00 1.76 O ATOM 0 H GLU A 11 -26.028 32.542 3.519 1.00 0.49 H new ATOM 0 HA GLU A 11 -28.152 33.991 4.609 1.00 0.37 H new ATOM 0 HB2 GLU A 11 -25.845 35.606 4.438 1.00 0.77 H new ATOM 0 HB3 GLU A 11 -26.433 35.798 2.798 1.00 0.77 H new ATOM 0 HG2 GLU A 11 -28.509 36.809 3.560 1.00 0.96 H new ATOM 0 HG3 GLU A 11 -28.188 36.372 5.227 1.00 0.96 H new ATOM 169 N LYS A 12 -28.306 32.619 2.131 1.00 0.24 N ATOM 170 CA LYS A 12 -28.965 32.365 0.836 1.00 0.23 C ATOM 171 C LYS A 12 -30.493 32.303 0.981 1.00 0.18 C ATOM 172 O LYS A 12 -31.013 31.266 1.369 1.00 0.19 O ATOM 173 CB LYS A 12 -28.374 31.086 0.221 1.00 0.32 C ATOM 174 CG LYS A 12 -28.873 30.731 -1.186 1.00 0.41 C ATOM 175 CD LYS A 12 -28.401 31.733 -2.252 1.00 0.53 C ATOM 176 CE LYS A 12 -28.630 31.188 -3.667 1.00 1.24 C ATOM 177 NZ LYS A 12 -27.805 29.977 -3.931 1.00 1.90 N ATOM 0 H LYS A 12 -28.151 31.784 2.696 1.00 0.24 H new ATOM 0 HA LYS A 12 -28.771 33.195 0.157 1.00 0.23 H new ATOM 0 HB2 LYS A 12 -27.289 31.189 0.186 1.00 0.32 H new ATOM 0 HB3 LYS A 12 -28.593 30.250 0.886 1.00 0.32 H new ATOM 0 HG2 LYS A 12 -28.523 29.733 -1.450 1.00 0.41 H new ATOM 0 HG3 LYS A 12 -29.962 30.696 -1.183 1.00 0.41 H new ATOM 0 HD2 LYS A 12 -28.936 32.675 -2.131 1.00 0.53 H new ATOM 0 HD3 LYS A 12 -27.342 31.948 -2.109 1.00 0.53 H new ATOM 0 HE2 LYS A 12 -29.685 30.945 -3.797 1.00 1.24 H new ATOM 0 HE3 LYS A 12 -28.388 31.960 -4.398 1.00 1.24 H new ATOM 0 HZ1 LYS A 12 -27.702 29.844 -4.957 1.00 1.90 H new ATOM 0 HZ2 LYS A 12 -26.866 30.096 -3.501 1.00 1.90 H new ATOM 0 HZ3 LYS A 12 -28.271 29.143 -3.519 1.00 1.90 H new ATOM 191 N ASN A 13 -31.179 33.294 0.394 1.00 0.18 N ATOM 192 CA ASN A 13 -32.562 33.369 0.133 1.00 0.16 C ATOM 193 C ASN A 13 -33.424 33.530 1.419 1.00 0.17 C ATOM 194 O ASN A 13 -34.636 33.269 1.508 1.00 0.19 O ATOM 195 CB ASN A 13 -33.051 32.117 -0.610 1.00 0.16 C ATOM 196 CG ASN A 13 -34.323 32.412 -1.359 1.00 0.18 C ATOM 197 OD1 ASN A 13 -34.342 33.285 -2.237 1.00 0.24 O ATOM 198 ND2 ASN A 13 -35.366 31.678 -0.961 1.00 0.18 N ATOM 0 H ASN A 13 -30.698 34.133 0.070 1.00 0.18 H new ATOM 0 HA ASN A 13 -32.689 34.260 -0.482 1.00 0.16 H new ATOM 0 HB2 ASN A 13 -32.283 31.776 -1.305 1.00 0.16 H new ATOM 0 HB3 ASN A 13 -33.220 31.308 0.101 1.00 0.16 H new ATOM 0 HD21 ASN A 13 -36.280 31.815 -1.392 1.00 0.18 H new ATOM 0 HD22 ASN A 13 -35.248 30.980 -0.226 1.00 0.18 H new ATOM 205 N TYR A 14 -32.751 33.992 2.539 1.00 0.20 N ATOM 206 CA TYR A 14 -33.290 34.074 3.875 1.00 0.22 C ATOM 207 C TYR A 14 -34.587 34.839 3.939 1.00 0.21 C ATOM 208 O TYR A 14 -35.550 34.387 4.523 1.00 0.24 O ATOM 209 CB TYR A 14 -32.255 34.659 4.912 1.00 0.29 C ATOM 210 CG TYR A 14 -31.938 36.151 4.840 1.00 0.81 C ATOM 211 CD1 TYR A 14 -31.233 36.618 3.723 1.00 1.82 C ATOM 212 CD2 TYR A 14 -32.491 37.088 5.719 1.00 1.38 C ATOM 213 CE1 TYR A 14 -31.059 38.008 3.520 1.00 2.29 C ATOM 214 CE2 TYR A 14 -32.404 38.467 5.494 1.00 1.79 C ATOM 215 CZ TYR A 14 -31.597 38.882 4.404 1.00 1.96 C ATOM 216 OH TYR A 14 -31.233 40.237 4.156 1.00 2.54 O ATOM 0 H TYR A 14 -31.786 34.319 2.489 1.00 0.20 H new ATOM 0 HA TYR A 14 -33.502 33.043 4.159 1.00 0.22 H new ATOM 0 HB2 TYR A 14 -32.627 34.444 5.914 1.00 0.29 H new ATOM 0 HB3 TYR A 14 -31.319 34.112 4.796 1.00 0.29 H new ATOM 0 HD1 TYR A 14 -30.821 35.915 3.014 1.00 1.82 H new ATOM 0 HD2 TYR A 14 -33.003 36.735 6.602 1.00 1.38 H new ATOM 0 HE1 TYR A 14 -30.502 38.369 2.668 1.00 2.29 H new ATOM 0 HE2 TYR A 14 -32.925 39.178 6.118 1.00 1.79 H new ATOM 0 HH TYR A 14 -31.653 40.816 4.826 1.00 2.54 H new ATOM 226 N ASP A 15 -34.656 36.055 3.354 1.00 0.21 N ATOM 227 CA ASP A 15 -35.825 36.886 3.471 1.00 0.25 C ATOM 228 C ASP A 15 -37.077 36.317 2.875 1.00 0.22 C ATOM 229 O ASP A 15 -38.132 36.426 3.453 1.00 0.29 O ATOM 230 CB ASP A 15 -35.542 38.383 2.962 1.00 0.32 C ATOM 231 CG ASP A 15 -36.422 39.369 3.536 1.00 0.88 C ATOM 232 OD1 ASP A 15 -36.505 39.595 4.782 1.00 0.74 O ATOM 233 OD2 ASP A 15 -37.075 40.055 2.651 1.00 1.67 O ATOM 0 H ASP A 15 -33.903 36.463 2.800 1.00 0.21 H new ATOM 0 HA ASP A 15 -36.031 36.920 4.541 1.00 0.25 H new ATOM 0 HB2 ASP A 15 -34.511 38.648 3.198 1.00 0.32 H new ATOM 0 HB3 ASP A 15 -35.638 38.412 1.877 1.00 0.32 H new ATOM 238 N GLU A 16 -37.047 35.762 1.649 1.00 0.18 N ATOM 239 CA GLU A 16 -38.150 34.948 1.184 1.00 0.21 C ATOM 240 C GLU A 16 -38.463 33.702 2.054 1.00 0.20 C ATOM 241 O GLU A 16 -39.613 33.548 2.453 1.00 0.25 O ATOM 242 CB GLU A 16 -37.937 34.382 -0.263 1.00 0.26 C ATOM 243 CG GLU A 16 -37.962 35.436 -1.447 1.00 0.30 C ATOM 244 CD GLU A 16 -39.299 36.078 -1.713 1.00 0.64 C ATOM 245 OE1 GLU A 16 -40.281 35.820 -1.007 1.00 1.00 O ATOM 246 OE2 GLU A 16 -39.323 36.795 -2.734 1.00 0.77 O ATOM 0 H GLU A 16 -36.280 35.868 0.985 1.00 0.18 H new ATOM 0 HA GLU A 16 -38.974 35.660 1.232 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -36.979 33.863 -0.289 1.00 0.26 H new ATOM 0 HB3 GLU A 16 -38.708 33.636 -0.454 1.00 0.26 H new ATOM 0 HG2 GLU A 16 -37.238 36.221 -1.227 1.00 0.30 H new ATOM 0 HG3 GLU A 16 -37.628 34.941 -2.359 1.00 0.30 H new ATOM 253 N PHE A 17 -37.447 32.938 2.451 1.00 0.16 N ATOM 254 CA PHE A 17 -37.651 31.612 3.025 1.00 0.15 C ATOM 255 C PHE A 17 -38.186 31.731 4.460 1.00 0.16 C ATOM 256 O PHE A 17 -39.165 31.073 4.802 1.00 0.17 O ATOM 257 CB PHE A 17 -36.293 30.906 3.001 1.00 0.16 C ATOM 258 CG PHE A 17 -36.414 29.413 3.182 1.00 0.16 C ATOM 259 CD1 PHE A 17 -36.778 28.633 2.071 1.00 0.16 C ATOM 260 CD2 PHE A 17 -36.141 28.796 4.414 1.00 0.20 C ATOM 261 CE1 PHE A 17 -36.876 27.247 2.203 1.00 0.19 C ATOM 262 CE2 PHE A 17 -36.270 27.404 4.550 1.00 0.22 C ATOM 263 CZ PHE A 17 -36.668 26.630 3.448 1.00 0.18 C ATOM 0 H PHE A 17 -36.469 33.218 2.384 1.00 0.16 H new ATOM 0 HA PHE A 17 -38.386 31.043 2.456 1.00 0.15 H new ATOM 0 HB2 PHE A 17 -35.795 31.115 2.054 1.00 0.16 H new ATOM 0 HB3 PHE A 17 -35.661 31.314 3.790 1.00 0.16 H new ATOM 0 HD1 PHE A 17 -36.981 29.104 1.120 1.00 0.16 H new ATOM 0 HD2 PHE A 17 -35.831 29.393 5.259 1.00 0.20 H new ATOM 0 HE1 PHE A 17 -37.114 26.643 1.340 1.00 0.19 H new ATOM 0 HE2 PHE A 17 -36.064 26.931 5.499 1.00 0.22 H new ATOM 0 HZ PHE A 17 -36.814 25.565 3.557 1.00 0.18 H new ATOM 273 N MET A 18 -37.639 32.617 5.296 1.00 0.18 N ATOM 274 CA MET A 18 -38.024 32.750 6.708 1.00 0.19 C ATOM 275 C MET A 18 -39.365 33.453 6.929 1.00 0.20 C ATOM 276 O MET A 18 -40.110 33.071 7.830 1.00 0.22 O ATOM 277 CB MET A 18 -36.898 33.427 7.491 1.00 0.20 C ATOM 278 CG MET A 18 -35.781 32.474 7.926 1.00 0.39 C ATOM 279 SD MET A 18 -34.903 31.610 6.602 1.00 1.06 S ATOM 280 CE MET A 18 -34.286 30.200 7.551 1.00 0.36 C ATOM 0 H MET A 18 -36.909 33.270 5.011 1.00 0.18 H new ATOM 0 HA MET A 18 -38.176 31.739 7.087 1.00 0.19 H new ATOM 0 HB2 MET A 18 -36.468 34.219 6.877 1.00 0.20 H new ATOM 0 HB3 MET A 18 -37.320 33.903 8.376 1.00 0.20 H new ATOM 0 HG2 MET A 18 -35.053 33.042 8.505 1.00 0.39 H new ATOM 0 HG3 MET A 18 -36.209 31.728 8.596 1.00 0.39 H new ATOM 0 HE1 MET A 18 -34.149 29.347 6.887 1.00 0.36 H new ATOM 0 HE2 MET A 18 -33.332 30.460 8.010 1.00 0.36 H new ATOM 0 HE3 MET A 18 -35.005 29.942 8.329 1.00 0.36 H new ATOM 290 N LYS A 19 -39.798 34.276 5.975 1.00 0.20 N ATOM 291 CA LYS A 19 -41.216 34.662 5.867 1.00 0.23 C ATOM 292 C LYS A 19 -42.125 33.414 5.536 1.00 0.23 C ATOM 293 O LYS A 19 -43.181 33.207 6.157 1.00 0.29 O ATOM 294 CB LYS A 19 -41.319 35.746 4.731 1.00 0.25 C ATOM 295 CG LYS A 19 -40.623 37.148 4.955 1.00 0.32 C ATOM 296 CD LYS A 19 -41.301 37.896 6.123 1.00 0.87 C ATOM 297 CE LYS A 19 -42.741 38.143 6.033 1.00 1.40 C ATOM 298 NZ LYS A 19 -43.197 38.783 4.754 1.00 1.82 N ATOM 0 H LYS A 19 -39.194 34.691 5.265 1.00 0.20 H new ATOM 0 HA LYS A 19 -41.571 35.064 6.816 1.00 0.23 H new ATOM 0 HB2 LYS A 19 -40.904 35.312 3.821 1.00 0.25 H new ATOM 0 HB3 LYS A 19 -42.377 35.928 4.543 1.00 0.25 H new ATOM 0 HG2 LYS A 19 -39.564 37.007 5.169 1.00 0.32 H new ATOM 0 HG3 LYS A 19 -40.687 37.744 4.045 1.00 0.32 H new ATOM 0 HD2 LYS A 19 -41.115 37.330 7.036 1.00 0.87 H new ATOM 0 HD3 LYS A 19 -40.803 38.859 6.238 1.00 0.87 H new ATOM 0 HE2 LYS A 19 -43.265 37.195 6.154 1.00 1.40 H new ATOM 0 HE3 LYS A 19 -43.038 38.780 6.866 1.00 1.40 H new ATOM 0 HZ1 LYS A 19 -44.228 38.918 4.782 1.00 1.82 H new ATOM 0 HZ2 LYS A 19 -42.730 39.705 4.641 1.00 1.82 H new ATOM 0 HZ3 LYS A 19 -42.950 38.169 3.951 1.00 1.82 H new ATOM 312 N LEU A 20 -41.697 32.560 4.606 1.00 0.20 N ATOM 313 CA LEU A 20 -42.454 31.382 4.144 1.00 0.20 C ATOM 314 C LEU A 20 -42.518 30.212 5.157 1.00 0.21 C ATOM 315 O LEU A 20 -43.505 29.477 5.155 1.00 0.25 O ATOM 316 CB LEU A 20 -41.888 30.930 2.784 1.00 0.19 C ATOM 317 CG LEU A 20 -42.202 31.869 1.601 1.00 0.22 C ATOM 318 CD1 LEU A 20 -41.332 31.491 0.399 1.00 0.21 C ATOM 319 CD2 LEU A 20 -43.667 31.764 1.168 1.00 0.27 C ATOM 0 H LEU A 20 -40.796 32.664 4.139 1.00 0.20 H new ATOM 0 HA LEU A 20 -43.494 31.691 4.039 1.00 0.20 H new ATOM 0 HB2 LEU A 20 -40.806 30.832 2.873 1.00 0.19 H new ATOM 0 HB3 LEU A 20 -42.281 29.939 2.556 1.00 0.19 H new ATOM 0 HG LEU A 20 -41.998 32.887 1.933 1.00 0.22 H new ATOM 0 HD11 LEU A 20 -41.556 32.156 -0.435 1.00 0.21 H new ATOM 0 HD12 LEU A 20 -40.280 31.586 0.667 1.00 0.21 H new ATOM 0 HD13 LEU A 20 -41.540 30.461 0.108 1.00 0.21 H new ATOM 0 HD21 LEU A 20 -43.849 32.440 0.333 1.00 0.27 H new ATOM 0 HD22 LEU A 20 -43.883 30.741 0.860 1.00 0.27 H new ATOM 0 HD23 LEU A 20 -44.313 32.036 2.002 1.00 0.27 H new ATOM 331 N LEU A 21 -41.591 30.158 6.124 1.00 0.19 N ATOM 332 CA LEU A 21 -41.672 29.327 7.343 1.00 0.20 C ATOM 333 C LEU A 21 -42.987 29.587 8.117 1.00 0.23 C ATOM 334 O LEU A 21 -43.637 28.670 8.637 1.00 0.25 O ATOM 335 CB LEU A 21 -40.476 29.699 8.256 1.00 0.22 C ATOM 336 CG LEU A 21 -39.213 28.839 8.149 1.00 0.40 C ATOM 337 CD1 LEU A 21 -38.474 28.878 6.826 1.00 1.20 C ATOM 338 CD2 LEU A 21 -38.210 29.227 9.228 1.00 0.80 C ATOM 0 H LEU A 21 -40.734 30.709 6.082 1.00 0.19 H new ATOM 0 HA LEU A 21 -41.647 28.276 7.057 1.00 0.20 H new ATOM 0 HB2 LEU A 21 -40.199 30.732 8.044 1.00 0.22 H new ATOM 0 HB3 LEU A 21 -40.819 29.667 9.290 1.00 0.22 H new ATOM 0 HG LEU A 21 -39.600 27.826 8.263 1.00 0.40 H new ATOM 0 HD11 LEU A 21 -37.600 28.229 6.878 1.00 1.20 H new ATOM 0 HD12 LEU A 21 -39.135 28.534 6.030 1.00 1.20 H new ATOM 0 HD13 LEU A 21 -38.155 29.899 6.617 1.00 1.20 H new ATOM 0 HD21 LEU A 21 -37.319 28.606 9.137 1.00 0.80 H new ATOM 0 HD22 LEU A 21 -37.935 30.275 9.109 1.00 0.80 H new ATOM 0 HD23 LEU A 21 -38.657 29.078 10.211 1.00 0.80 H new ATOM 350 N GLY A 22 -43.325 30.873 8.233 1.00 0.30 N ATOM 351 CA GLY A 22 -44.315 31.405 9.123 1.00 0.36 C ATOM 352 C GLY A 22 -43.696 32.320 10.164 1.00 0.36 C ATOM 353 O GLY A 22 -44.260 32.515 11.252 1.00 0.40 O ATOM 0 H GLY A 22 -42.880 31.598 7.669 1.00 0.30 H new ATOM 0 HA2 GLY A 22 -45.061 31.956 8.551 1.00 0.36 H new ATOM 0 HA3 GLY A 22 -44.836 30.587 9.620 1.00 0.36 H new ATOM 357 N ILE A 23 -42.533 32.891 9.928 1.00 0.34 N ATOM 358 CA ILE A 23 -41.933 33.912 10.756 1.00 0.34 C ATOM 359 C ILE A 23 -42.184 35.265 10.129 1.00 0.33 C ATOM 360 O ILE A 23 -41.921 35.508 8.970 1.00 0.31 O ATOM 361 CB ILE A 23 -40.472 33.608 11.100 1.00 0.30 C ATOM 362 CG1 ILE A 23 -40.334 32.133 11.590 1.00 0.30 C ATOM 363 CG2 ILE A 23 -39.806 34.680 12.031 1.00 0.35 C ATOM 364 CD1 ILE A 23 -38.952 31.648 11.704 1.00 0.38 C ATOM 0 H ILE A 23 -41.959 32.645 9.122 1.00 0.34 H new ATOM 0 HA ILE A 23 -42.411 33.925 11.735 1.00 0.34 H new ATOM 0 HB ILE A 23 -39.883 33.693 10.187 1.00 0.30 H new ATOM 0 HG12 ILE A 23 -40.818 32.041 12.563 1.00 0.30 H new ATOM 0 HG13 ILE A 23 -40.876 31.484 10.902 1.00 0.30 H new ATOM 0 HG21 ILE A 23 -38.773 34.397 12.231 1.00 0.35 H new ATOM 0 HG22 ILE A 23 -39.827 35.653 11.539 1.00 0.35 H new ATOM 0 HG23 ILE A 23 -40.355 34.737 12.971 1.00 0.35 H new ATOM 0 HD11 ILE A 23 -38.956 30.615 12.051 1.00 0.38 H new ATOM 0 HD12 ILE A 23 -38.466 31.702 10.730 1.00 0.38 H new ATOM 0 HD13 ILE A 23 -38.407 32.267 12.416 1.00 0.38 H new ATOM 376 N SER A 24 -42.616 36.264 10.917 1.00 0.36 N ATOM 377 CA SER A 24 -42.842 37.642 10.404 1.00 0.37 C ATOM 378 C SER A 24 -41.566 38.500 10.336 1.00 0.35 C ATOM 379 O SER A 24 -41.280 39.105 9.310 1.00 0.33 O ATOM 380 CB SER A 24 -43.907 38.366 11.233 1.00 0.43 C ATOM 381 OG SER A 24 -45.137 37.684 11.119 1.00 0.71 O ATOM 0 H SER A 24 -42.818 36.152 11.911 1.00 0.36 H new ATOM 0 HA SER A 24 -43.190 37.515 9.379 1.00 0.37 H new ATOM 0 HB2 SER A 24 -43.600 38.412 12.278 1.00 0.43 H new ATOM 0 HB3 SER A 24 -44.016 39.394 10.887 1.00 0.43 H new ATOM 0 HG SER A 24 -45.818 38.146 11.651 1.00 0.71 H new ATOM 387 N SER A 25 -40.848 38.578 11.464 1.00 0.37 N ATOM 388 CA SER A 25 -39.518 39.182 11.604 1.00 0.37 C ATOM 389 C SER A 25 -38.725 38.645 12.774 1.00 0.36 C ATOM 390 O SER A 25 -37.508 38.810 12.828 1.00 0.37 O ATOM 391 CB SER A 25 -39.609 40.758 11.791 1.00 0.42 C ATOM 392 OG SER A 25 -38.381 41.393 11.702 1.00 1.04 O ATOM 0 H SER A 25 -41.197 38.203 12.346 1.00 0.37 H new ATOM 0 HA SER A 25 -39.007 38.921 10.677 1.00 0.37 H new ATOM 0 HB2 SER A 25 -40.278 41.168 11.035 1.00 0.42 H new ATOM 0 HB3 SER A 25 -40.053 40.976 12.762 1.00 0.42 H new ATOM 0 HG SER A 25 -38.098 41.684 12.594 1.00 1.04 H new ATOM 398 N ASP A 26 -39.432 38.072 13.777 1.00 0.40 N ATOM 399 CA ASP A 26 -38.855 37.873 15.112 1.00 0.44 C ATOM 400 C ASP A 26 -37.594 37.041 15.101 1.00 0.40 C ATOM 401 O ASP A 26 -36.619 37.518 15.657 1.00 0.43 O ATOM 402 CB ASP A 26 -39.803 37.334 16.197 1.00 0.49 C ATOM 403 CG ASP A 26 -39.021 37.104 17.518 1.00 0.85 C ATOM 404 OD1 ASP A 26 -38.904 38.005 18.389 1.00 1.29 O ATOM 405 OD2 ASP A 26 -38.494 35.977 17.709 1.00 0.94 O ATOM 0 H ASP A 26 -40.393 37.745 13.681 1.00 0.40 H new ATOM 0 HA ASP A 26 -38.621 38.899 15.395 1.00 0.44 H new ATOM 0 HB2 ASP A 26 -40.616 38.040 16.364 1.00 0.49 H new ATOM 0 HB3 ASP A 26 -40.255 36.400 15.865 1.00 0.49 H new ATOM 410 N VAL A 27 -37.512 35.958 14.317 1.00 0.36 N ATOM 411 CA VAL A 27 -36.202 35.371 14.174 1.00 0.35 C ATOM 412 C VAL A 27 -35.385 36.129 13.100 1.00 0.31 C ATOM 413 O VAL A 27 -34.193 36.106 13.201 1.00 0.31 O ATOM 414 CB VAL A 27 -36.352 33.930 13.750 1.00 0.37 C ATOM 415 CG1 VAL A 27 -34.995 33.250 13.643 1.00 0.46 C ATOM 416 CG2 VAL A 27 -37.200 33.141 14.785 1.00 0.58 C ATOM 0 H VAL A 27 -38.278 35.509 13.814 1.00 0.36 H new ATOM 0 HA VAL A 27 -35.679 35.434 15.128 1.00 0.35 H new ATOM 0 HB VAL A 27 -36.846 33.930 12.778 1.00 0.37 H new ATOM 0 HG11 VAL A 27 -35.131 32.213 13.336 1.00 0.46 H new ATOM 0 HG12 VAL A 27 -34.385 33.770 12.905 1.00 0.46 H new ATOM 0 HG13 VAL A 27 -34.496 33.279 14.612 1.00 0.46 H new ATOM 0 HG21 VAL A 27 -37.297 32.105 14.462 1.00 0.58 H new ATOM 0 HG22 VAL A 27 -36.709 33.173 15.758 1.00 0.58 H new ATOM 0 HG23 VAL A 27 -38.190 33.591 14.863 1.00 0.58 H new ATOM 426 N ILE A 28 -36.088 36.584 11.998 1.00 0.28 N ATOM 427 CA ILE A 28 -35.471 36.911 10.738 1.00 0.26 C ATOM 428 C ILE A 28 -34.537 38.146 10.892 1.00 0.27 C ATOM 429 O ILE A 28 -33.446 38.210 10.321 1.00 0.27 O ATOM 430 CB ILE A 28 -36.463 37.282 9.603 1.00 0.25 C ATOM 431 CG1 ILE A 28 -37.708 36.415 9.701 1.00 0.26 C ATOM 432 CG2 ILE A 28 -35.800 37.161 8.228 1.00 0.24 C ATOM 433 CD1 ILE A 28 -38.659 36.572 8.472 1.00 0.26 C ATOM 0 H ILE A 28 -37.099 36.720 12.003 1.00 0.28 H new ATOM 0 HA ILE A 28 -34.942 35.998 10.463 1.00 0.26 H new ATOM 0 HB ILE A 28 -36.760 38.324 9.723 1.00 0.25 H new ATOM 0 HG12 ILE A 28 -37.410 35.370 9.792 1.00 0.26 H new ATOM 0 HG13 ILE A 28 -38.252 36.672 10.610 1.00 0.26 H new ATOM 0 HG21 ILE A 28 -36.519 37.427 7.453 1.00 0.24 H new ATOM 0 HG22 ILE A 28 -34.944 37.834 8.176 1.00 0.24 H new ATOM 0 HG23 ILE A 28 -35.464 36.135 8.075 1.00 0.24 H new ATOM 0 HD11 ILE A 28 -39.529 35.928 8.601 1.00 0.26 H new ATOM 0 HD12 ILE A 28 -38.984 37.610 8.393 1.00 0.26 H new ATOM 0 HD13 ILE A 28 -38.129 36.288 7.563 1.00 0.26 H new ATOM 445 N GLU A 29 -34.913 39.140 11.711 1.00 0.30 N ATOM 446 CA GLU A 29 -34.122 40.363 11.953 1.00 0.32 C ATOM 447 C GLU A 29 -32.877 40.106 12.815 1.00 0.32 C ATOM 448 O GLU A 29 -31.898 40.845 12.739 1.00 0.36 O ATOM 449 CB GLU A 29 -34.997 41.425 12.636 1.00 0.38 C ATOM 450 CG GLU A 29 -35.247 41.113 14.126 1.00 0.79 C ATOM 451 CD GLU A 29 -36.443 41.828 14.734 1.00 1.14 C ATOM 452 OE1 GLU A 29 -37.460 42.265 14.168 1.00 1.29 O ATOM 453 OE2 GLU A 29 -36.378 41.990 15.968 1.00 1.48 O ATOM 0 H GLU A 29 -35.789 39.119 12.234 1.00 0.30 H new ATOM 0 HA GLU A 29 -33.781 40.715 10.979 1.00 0.32 H new ATOM 0 HB2 GLU A 29 -34.516 42.399 12.548 1.00 0.38 H new ATOM 0 HB3 GLU A 29 -35.953 41.493 12.117 1.00 0.38 H new ATOM 0 HG2 GLU A 29 -35.388 40.038 14.239 1.00 0.79 H new ATOM 0 HG3 GLU A 29 -34.355 41.379 14.693 1.00 0.79 H new ATOM 460 N LYS A 30 -32.956 39.106 13.699 1.00 0.33 N ATOM 461 CA LYS A 30 -31.866 38.701 14.587 1.00 0.37 C ATOM 462 C LYS A 30 -30.811 37.983 13.724 1.00 0.33 C ATOM 463 O LYS A 30 -29.642 38.353 13.680 1.00 0.37 O ATOM 464 CB LYS A 30 -32.427 37.788 15.709 1.00 0.45 C ATOM 465 CG LYS A 30 -33.806 38.141 16.325 1.00 0.52 C ATOM 466 CD LYS A 30 -33.911 39.374 17.250 1.00 0.76 C ATOM 467 CE LYS A 30 -35.210 39.417 18.101 1.00 0.88 C ATOM 468 NZ LYS A 30 -36.460 39.686 17.337 1.00 1.19 N ATOM 0 H LYS A 30 -33.799 38.544 13.818 1.00 0.33 H new ATOM 0 HA LYS A 30 -31.402 39.557 15.076 1.00 0.37 H new ATOM 0 HB2 LYS A 30 -32.490 36.775 15.312 1.00 0.45 H new ATOM 0 HB3 LYS A 30 -31.697 37.769 16.518 1.00 0.45 H new ATOM 0 HG2 LYS A 30 -34.508 38.283 15.504 1.00 0.52 H new ATOM 0 HG3 LYS A 30 -34.147 37.274 16.890 1.00 0.52 H new ATOM 0 HD2 LYS A 30 -33.050 39.388 17.919 1.00 0.76 H new ATOM 0 HD3 LYS A 30 -33.857 40.277 16.642 1.00 0.76 H new ATOM 0 HE2 LYS A 30 -35.318 38.464 18.619 1.00 0.88 H new ATOM 0 HE3 LYS A 30 -35.099 40.185 18.866 1.00 0.88 H new ATOM 0 HZ1 LYS A 30 -37.283 39.400 17.906 1.00 1.19 H new ATOM 0 HZ2 LYS A 30 -36.524 40.701 17.122 1.00 1.19 H new ATOM 0 HZ3 LYS A 30 -36.448 39.144 16.449 1.00 1.19 H new ATOM 482 N ALA A 31 -31.316 37.001 12.968 1.00 0.30 N ATOM 483 CA ALA A 31 -30.580 36.135 12.067 1.00 0.31 C ATOM 484 C ALA A 31 -29.881 36.909 10.946 1.00 0.32 C ATOM 485 O ALA A 31 -28.664 36.767 10.830 1.00 0.40 O ATOM 486 CB ALA A 31 -31.555 35.106 11.499 1.00 0.34 C ATOM 0 H ALA A 31 -32.313 36.784 12.977 1.00 0.30 H new ATOM 0 HA ALA A 31 -29.784 35.640 12.624 1.00 0.31 H new ATOM 0 HB1 ALA A 31 -31.026 34.441 10.817 1.00 0.34 H new ATOM 0 HB2 ALA A 31 -31.984 34.523 12.314 1.00 0.34 H new ATOM 0 HB3 ALA A 31 -32.352 35.619 10.960 1.00 0.34 H new ATOM 492 N ARG A 32 -30.555 37.879 10.299 1.00 0.28 N ATOM 493 CA ARG A 32 -29.889 38.650 9.242 1.00 0.31 C ATOM 494 C ARG A 32 -28.746 39.509 9.782 1.00 0.35 C ATOM 495 O ARG A 32 -27.739 39.631 9.101 1.00 0.43 O ATOM 496 CB ARG A 32 -30.894 39.457 8.407 1.00 0.35 C ATOM 497 CG ARG A 32 -31.449 40.707 9.093 1.00 0.34 C ATOM 498 CD ARG A 32 -32.589 41.314 8.263 1.00 0.45 C ATOM 499 NE ARG A 32 -33.149 42.513 8.920 1.00 1.13 N ATOM 500 CZ ARG A 32 -34.416 42.754 9.209 1.00 1.47 C ATOM 501 NH1 ARG A 32 -35.385 41.957 8.862 1.00 1.06 N ATOM 502 NH2 ARG A 32 -34.734 43.803 9.916 1.00 2.40 N ATOM 0 H ARG A 32 -31.524 38.138 10.483 1.00 0.28 H new ATOM 0 HA ARG A 32 -29.428 37.931 8.565 1.00 0.31 H new ATOM 0 HB2 ARG A 32 -30.413 39.756 7.476 1.00 0.35 H new ATOM 0 HB3 ARG A 32 -31.727 38.807 8.141 1.00 0.35 H new ATOM 0 HG2 ARG A 32 -31.812 40.452 10.089 1.00 0.34 H new ATOM 0 HG3 ARG A 32 -30.654 41.442 9.222 1.00 0.34 H new ATOM 0 HD2 ARG A 32 -32.220 41.578 7.272 1.00 0.45 H new ATOM 0 HD3 ARG A 32 -33.375 40.572 8.123 1.00 0.45 H new ATOM 0 HE ARG A 32 -32.481 43.238 9.181 1.00 1.13 H new ATOM 0 HH11 ARG A 32 -35.182 41.103 8.343 1.00 1.06 H new ATOM 0 HH12 ARG A 32 -36.348 42.187 9.109 1.00 1.06 H new ATOM 0 HH21 ARG A 32 -34.005 44.436 10.245 1.00 2.40 H new ATOM 0 HH22 ARG A 32 -35.711 43.990 10.140 1.00 2.40 H new ATOM 516 N ASN A 33 -28.866 40.059 11.001 1.00 0.35 N ATOM 517 CA ASN A 33 -27.879 40.980 11.596 1.00 0.42 C ATOM 518 C ASN A 33 -26.696 40.307 12.310 1.00 0.38 C ATOM 519 O ASN A 33 -25.619 40.892 12.357 1.00 0.47 O ATOM 520 CB ASN A 33 -28.595 41.942 12.562 1.00 0.53 C ATOM 521 CG ASN A 33 -29.292 43.085 11.851 1.00 0.68 C ATOM 522 OD1 ASN A 33 -28.695 44.085 11.502 1.00 1.09 O ATOM 523 ND2 ASN A 33 -30.595 43.165 11.957 1.00 0.61 N ATOM 0 H ASN A 33 -29.662 39.875 11.611 1.00 0.35 H new ATOM 0 HA ASN A 33 -27.435 41.514 10.756 1.00 0.42 H new ATOM 0 HB2 ASN A 33 -29.327 41.384 13.146 1.00 0.53 H new ATOM 0 HB3 ASN A 33 -27.869 42.348 13.266 1.00 0.53 H new ATOM 0 HD21 ASN A 33 -31.071 44.043 11.750 1.00 0.61 H new ATOM 0 HD22 ASN A 33 -31.134 42.349 12.247 1.00 0.61 H new ATOM 530 N PHE A 34 -26.905 39.176 12.993 1.00 0.35 N ATOM 531 CA PHE A 34 -25.858 38.507 13.796 1.00 0.42 C ATOM 532 C PHE A 34 -25.657 36.997 13.637 1.00 0.46 C ATOM 533 O PHE A 34 -24.632 36.463 14.062 1.00 0.78 O ATOM 534 CB PHE A 34 -25.884 39.053 15.233 1.00 0.52 C ATOM 535 CG PHE A 34 -27.256 39.198 15.866 1.00 0.94 C ATOM 536 CD1 PHE A 34 -27.854 38.100 16.511 1.00 0.75 C ATOM 537 CD2 PHE A 34 -27.912 40.442 15.855 1.00 1.98 C ATOM 538 CE1 PHE A 34 -29.083 38.253 17.177 1.00 1.54 C ATOM 539 CE2 PHE A 34 -29.152 40.595 16.503 1.00 2.84 C ATOM 540 CZ PHE A 34 -29.730 39.504 17.174 1.00 2.62 C ATOM 0 H PHE A 34 -27.803 38.693 13.009 1.00 0.35 H new ATOM 0 HA PHE A 34 -24.911 38.792 13.337 1.00 0.42 H new ATOM 0 HB2 PHE A 34 -25.284 38.395 15.861 1.00 0.52 H new ATOM 0 HB3 PHE A 34 -25.398 40.029 15.238 1.00 0.52 H new ATOM 0 HD1 PHE A 34 -27.367 37.136 16.495 1.00 0.75 H new ATOM 0 HD2 PHE A 34 -27.463 41.283 15.348 1.00 1.98 H new ATOM 0 HE1 PHE A 34 -29.529 37.414 17.689 1.00 1.54 H new ATOM 0 HE2 PHE A 34 -29.658 41.549 16.485 1.00 2.84 H new ATOM 0 HZ PHE A 34 -30.672 39.625 17.688 1.00 2.62 H new ATOM 550 N LYS A 35 -26.569 36.358 12.900 1.00 0.33 N ATOM 551 CA LYS A 35 -26.579 34.940 12.528 1.00 0.36 C ATOM 552 C LYS A 35 -26.747 34.010 13.777 1.00 0.37 C ATOM 553 O LYS A 35 -26.598 34.352 14.939 1.00 0.53 O ATOM 554 CB LYS A 35 -25.405 34.499 11.640 1.00 0.58 C ATOM 555 CG LYS A 35 -25.676 34.931 10.184 1.00 1.15 C ATOM 556 CD LYS A 35 -25.243 36.408 9.805 1.00 1.36 C ATOM 557 CE LYS A 35 -25.845 36.898 8.515 1.00 1.90 C ATOM 558 NZ LYS A 35 -25.422 36.242 7.291 1.00 2.56 N ATOM 0 H LYS A 35 -27.377 36.852 12.521 1.00 0.33 H new ATOM 0 HA LYS A 35 -27.461 34.825 11.899 1.00 0.36 H new ATOM 0 HB2 LYS A 35 -24.477 34.945 11.997 1.00 0.58 H new ATOM 0 HB3 LYS A 35 -25.280 33.417 11.693 1.00 0.58 H new ATOM 0 HG2 LYS A 35 -25.158 34.240 9.519 1.00 1.15 H new ATOM 0 HG3 LYS A 35 -26.743 34.825 9.987 1.00 1.15 H new ATOM 0 HD2 LYS A 35 -25.534 37.082 10.611 1.00 1.36 H new ATOM 0 HD3 LYS A 35 -24.157 36.452 9.729 1.00 1.36 H new ATOM 0 HE2 LYS A 35 -26.928 36.804 8.591 1.00 1.90 H new ATOM 0 HE3 LYS A 35 -25.623 37.961 8.422 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 -25.449 36.923 6.505 1.00 2.56 H new ATOM 0 HZ2 LYS A 35 -24.452 35.885 7.406 1.00 2.56 H new ATOM 0 HZ3 LYS A 35 -26.061 35.448 7.084 1.00 2.56 H new ATOM 572 N ILE A 36 -27.155 32.765 13.553 1.00 0.35 N ATOM 573 CA ILE A 36 -27.451 31.789 14.631 1.00 0.35 C ATOM 574 C ILE A 36 -26.241 30.875 14.900 1.00 0.34 C ATOM 575 O ILE A 36 -25.478 30.558 13.991 1.00 0.43 O ATOM 576 CB ILE A 36 -28.757 31.044 14.273 1.00 0.37 C ATOM 577 CG1 ILE A 36 -29.879 32.085 14.001 1.00 0.44 C ATOM 578 CG2 ILE A 36 -29.174 29.969 15.294 1.00 0.36 C ATOM 579 CD1 ILE A 36 -31.322 31.630 14.216 1.00 0.41 C ATOM 0 H ILE A 36 -27.295 32.388 12.615 1.00 0.35 H new ATOM 0 HA ILE A 36 -27.621 32.296 15.581 1.00 0.35 H new ATOM 0 HB ILE A 36 -28.571 30.471 13.365 1.00 0.37 H new ATOM 0 HG12 ILE A 36 -29.699 32.950 14.639 1.00 0.44 H new ATOM 0 HG13 ILE A 36 -29.782 32.424 12.970 1.00 0.44 H new ATOM 0 HG21 ILE A 36 -30.100 29.496 14.966 1.00 0.36 H new ATOM 0 HG22 ILE A 36 -28.389 29.217 15.371 1.00 0.36 H new ATOM 0 HG23 ILE A 36 -29.329 30.433 16.268 1.00 0.36 H new ATOM 0 HD11 ILE A 36 -32.000 32.453 13.991 1.00 0.41 H new ATOM 0 HD12 ILE A 36 -31.540 30.789 13.558 1.00 0.41 H new ATOM 0 HD13 ILE A 36 -31.456 31.323 15.253 1.00 0.41 H new ATOM 591 N VAL A 37 -26.138 30.359 16.133 1.00 0.30 N ATOM 592 CA VAL A 37 -25.186 29.311 16.562 1.00 0.27 C ATOM 593 C VAL A 37 -25.889 28.098 17.191 1.00 0.25 C ATOM 594 O VAL A 37 -26.850 28.282 17.937 1.00 0.31 O ATOM 595 CB VAL A 37 -24.055 29.888 17.445 1.00 0.30 C ATOM 596 CG1 VAL A 37 -23.490 31.202 16.890 1.00 0.83 C ATOM 597 CG2 VAL A 37 -24.483 30.148 18.895 1.00 0.85 C ATOM 0 H VAL A 37 -26.740 30.671 16.895 1.00 0.30 H new ATOM 0 HA VAL A 37 -24.704 28.930 15.662 1.00 0.27 H new ATOM 0 HB VAL A 37 -23.291 29.111 17.430 1.00 0.30 H new ATOM 0 HG11 VAL A 37 -22.699 31.564 17.547 1.00 0.83 H new ATOM 0 HG12 VAL A 37 -23.084 31.031 15.893 1.00 0.83 H new ATOM 0 HG13 VAL A 37 -24.285 31.945 16.835 1.00 0.83 H new ATOM 0 HG21 VAL A 37 -23.640 30.552 19.456 1.00 0.85 H new ATOM 0 HG22 VAL A 37 -25.305 30.864 18.909 1.00 0.85 H new ATOM 0 HG23 VAL A 37 -24.808 29.213 19.352 1.00 0.85 H new ATOM 607 N THR A 38 -25.415 26.868 16.954 1.00 0.25 N ATOM 608 CA THR A 38 -26.176 25.636 17.236 1.00 0.25 C ATOM 609 C THR A 38 -25.287 24.478 17.686 1.00 0.23 C ATOM 610 O THR A 38 -24.218 24.225 17.158 1.00 0.24 O ATOM 611 CB THR A 38 -27.007 25.208 16.013 1.00 0.29 C ATOM 612 OG1 THR A 38 -27.898 26.245 15.682 1.00 0.39 O ATOM 613 CG2 THR A 38 -27.807 23.919 16.178 1.00 0.28 C ATOM 0 H THR A 38 -24.490 26.695 16.560 1.00 0.25 H new ATOM 0 HA THR A 38 -26.844 25.877 18.063 1.00 0.25 H new ATOM 0 HB THR A 38 -26.279 25.007 15.227 1.00 0.29 H new ATOM 0 HG1 THR A 38 -28.316 26.054 14.816 1.00 0.39 H new ATOM 0 HG21 THR A 38 -28.355 23.711 15.259 1.00 0.28 H new ATOM 0 HG22 THR A 38 -27.127 23.094 16.390 1.00 0.28 H new ATOM 0 HG23 THR A 38 -28.511 24.031 17.003 1.00 0.28 H new ATOM 621 N GLU A 39 -25.777 23.758 18.674 1.00 0.22 N ATOM 622 CA GLU A 39 -25.354 22.569 19.342 1.00 0.20 C ATOM 623 C GLU A 39 -26.279 21.488 18.895 1.00 0.18 C ATOM 624 O GLU A 39 -27.454 21.702 18.615 1.00 0.20 O ATOM 625 CB GLU A 39 -25.481 22.850 20.859 1.00 0.24 C ATOM 626 CG GLU A 39 -24.821 24.127 21.343 1.00 0.56 C ATOM 627 CD GLU A 39 -24.921 24.368 22.825 1.00 0.99 C ATOM 628 OE1 GLU A 39 -24.512 23.449 23.586 1.00 1.41 O ATOM 629 OE2 GLU A 39 -25.439 25.486 23.109 1.00 1.41 O ATOM 0 H GLU A 39 -26.652 24.071 19.095 1.00 0.22 H new ATOM 0 HA GLU A 39 -24.328 22.272 19.124 1.00 0.20 H new ATOM 0 HB2 GLU A 39 -26.539 22.888 21.117 1.00 0.24 H new ATOM 0 HB3 GLU A 39 -25.051 22.010 21.404 1.00 0.24 H new ATOM 0 HG2 GLU A 39 -23.768 24.103 21.064 1.00 0.56 H new ATOM 0 HG3 GLU A 39 -25.270 24.972 20.821 1.00 0.56 H new ATOM 636 N VAL A 40 -25.758 20.293 18.794 1.00 0.17 N ATOM 637 CA VAL A 40 -26.546 19.137 18.405 1.00 0.18 C ATOM 638 C VAL A 40 -26.057 17.999 19.242 1.00 0.19 C ATOM 639 O VAL A 40 -24.876 17.980 19.573 1.00 0.20 O ATOM 640 CB VAL A 40 -26.387 18.854 16.910 1.00 0.17 C ATOM 641 CG1 VAL A 40 -27.128 17.603 16.431 1.00 0.19 C ATOM 642 CG2 VAL A 40 -26.886 20.033 16.086 1.00 0.19 C ATOM 0 H VAL A 40 -24.776 20.087 18.978 1.00 0.17 H new ATOM 0 HA VAL A 40 -27.611 19.301 18.568 1.00 0.18 H new ATOM 0 HB VAL A 40 -25.319 18.688 16.766 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -26.966 17.471 15.361 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -26.752 16.730 16.965 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -28.195 17.715 16.625 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -26.765 19.813 15.025 1.00 0.19 H new ATOM 0 HG22 VAL A 40 -27.940 20.208 16.302 1.00 0.19 H new ATOM 0 HG23 VAL A 40 -26.311 20.924 16.340 1.00 0.19 H new ATOM 652 N GLN A 41 -26.911 17.010 19.476 1.00 0.22 N ATOM 653 CA GLN A 41 -26.584 15.699 20.030 1.00 0.27 C ATOM 654 C GLN A 41 -27.444 14.648 19.299 1.00 0.27 C ATOM 655 O GLN A 41 -28.529 14.972 18.812 1.00 0.31 O ATOM 656 CB GLN A 41 -26.812 15.734 21.559 1.00 0.41 C ATOM 657 CG GLN A 41 -25.703 15.029 22.359 1.00 0.37 C ATOM 658 CD GLN A 41 -25.550 13.553 22.009 1.00 1.30 C ATOM 659 OE1 GLN A 41 -24.629 12.922 21.510 1.00 2.15 O ATOM 660 NE2 GLN A 41 -26.603 12.823 22.297 1.00 2.00 N ATOM 0 H GLN A 41 -27.906 17.105 19.273 1.00 0.22 H new ATOM 0 HA GLN A 41 -25.539 15.430 19.878 1.00 0.27 H new ATOM 0 HB2 GLN A 41 -26.881 16.772 21.885 1.00 0.41 H new ATOM 0 HB3 GLN A 41 -27.769 15.264 21.787 1.00 0.41 H new ATOM 0 HG2 GLN A 41 -24.756 15.538 22.179 1.00 0.37 H new ATOM 0 HG3 GLN A 41 -25.918 15.122 23.424 1.00 0.37 H new ATOM 0 HE21 GLN A 41 -27.425 13.257 22.717 1.00 2.00 H new ATOM 0 HE22 GLN A 41 -26.599 11.822 22.101 1.00 2.00 H new ATOM 669 N GLN A 42 -26.958 13.418 19.131 1.00 0.27 N ATOM 670 CA GLN A 42 -27.733 12.314 18.570 1.00 0.30 C ATOM 671 C GLN A 42 -27.174 10.975 19.054 1.00 0.33 C ATOM 672 O GLN A 42 -26.077 10.597 18.638 1.00 0.42 O ATOM 673 CB GLN A 42 -27.747 12.403 17.031 1.00 0.43 C ATOM 674 CG GLN A 42 -28.519 11.249 16.359 1.00 0.51 C ATOM 675 CD GLN A 42 -28.617 11.414 14.843 1.00 0.77 C ATOM 676 OE1 GLN A 42 -27.939 12.221 14.226 1.00 1.16 O ATOM 677 NE2 GLN A 42 -29.261 10.506 14.154 1.00 0.73 N ATOM 0 H GLN A 42 -26.004 13.159 19.384 1.00 0.27 H new ATOM 0 HA GLN A 42 -28.764 12.386 18.916 1.00 0.30 H new ATOM 0 HB2 GLN A 42 -28.194 13.352 16.733 1.00 0.43 H new ATOM 0 HB3 GLN A 42 -26.720 12.405 16.665 1.00 0.43 H new ATOM 0 HG2 GLN A 42 -28.025 10.305 16.587 1.00 0.51 H new ATOM 0 HG3 GLN A 42 -29.523 11.194 16.781 1.00 0.51 H new ATOM 0 HE21 GLN A 42 -29.837 9.815 14.634 1.00 0.73 H new ATOM 0 HE22 GLN A 42 -29.186 10.490 13.137 1.00 0.73 H new ATOM 686 N ASP A 43 -28.026 10.170 19.690 1.00 0.31 N ATOM 687 CA ASP A 43 -27.707 8.869 20.057 1.00 0.36 C ATOM 688 C ASP A 43 -28.488 8.030 19.055 1.00 0.37 C ATOM 689 O ASP A 43 -29.633 7.703 19.296 1.00 0.38 O ATOM 690 CB ASP A 43 -28.111 8.514 21.500 1.00 0.43 C ATOM 691 CG ASP A 43 -27.210 9.148 22.547 1.00 0.97 C ATOM 692 OD1 ASP A 43 -27.532 10.349 22.863 1.00 1.68 O ATOM 693 OD2 ASP A 43 -26.297 8.525 23.142 1.00 1.01 O ATOM 0 H ASP A 43 -28.971 10.451 19.952 1.00 0.31 H new ATOM 0 HA ASP A 43 -26.630 8.703 20.041 1.00 0.36 H new ATOM 0 HB2 ASP A 43 -29.139 8.834 21.672 1.00 0.43 H new ATOM 0 HB3 ASP A 43 -28.091 7.431 21.620 1.00 0.43 H new ATOM 698 N GLY A 44 -27.809 7.575 17.990 1.00 0.43 N ATOM 699 CA GLY A 44 -28.516 6.646 17.043 1.00 0.50 C ATOM 700 C GLY A 44 -29.627 7.266 16.268 1.00 0.60 C ATOM 701 O GLY A 44 -29.455 7.963 15.271 1.00 1.24 O ATOM 0 H GLY A 44 -26.842 7.803 17.757 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -27.786 6.240 16.342 1.00 0.50 H new ATOM 0 HA3 GLY A 44 -28.914 5.805 17.611 1.00 0.50 H new ATOM 705 N GLN A 45 -30.838 6.890 16.679 1.00 0.34 N ATOM 706 CA GLN A 45 -32.090 7.426 16.158 1.00 0.30 C ATOM 707 C GLN A 45 -32.631 8.624 16.951 1.00 0.29 C ATOM 708 O GLN A 45 -33.518 9.311 16.436 1.00 0.32 O ATOM 709 CB GLN A 45 -33.146 6.308 16.067 1.00 0.31 C ATOM 710 CG GLN A 45 -32.805 5.303 14.953 1.00 0.32 C ATOM 711 CD GLN A 45 -33.984 4.421 14.547 1.00 0.76 C ATOM 712 OE1 GLN A 45 -34.121 3.300 15.011 1.00 1.37 O ATOM 713 NE2 GLN A 45 -35.065 4.982 14.054 1.00 1.02 N ATOM 0 H GLN A 45 -30.976 6.185 17.403 1.00 0.34 H new ATOM 0 HA GLN A 45 -31.871 7.809 15.161 1.00 0.30 H new ATOM 0 HB2 GLN A 45 -33.210 5.787 17.022 1.00 0.31 H new ATOM 0 HB3 GLN A 45 -34.126 6.746 15.877 1.00 0.31 H new ATOM 0 HG2 GLN A 45 -32.451 5.849 14.078 1.00 0.32 H new ATOM 0 HG3 GLN A 45 -31.984 4.668 15.286 1.00 0.32 H new ATOM 0 HE21 GLN A 45 -35.016 5.918 13.652 1.00 1.02 H new ATOM 0 HE22 GLN A 45 -35.954 4.481 14.074 1.00 1.02 H new ATOM 722 N ASP A 46 -32.094 8.917 18.140 1.00 0.30 N ATOM 723 CA ASP A 46 -32.640 9.938 18.962 1.00 0.34 C ATOM 724 C ASP A 46 -31.861 11.199 18.941 1.00 0.35 C ATOM 725 O ASP A 46 -30.739 11.252 19.327 1.00 0.49 O ATOM 726 CB ASP A 46 -32.751 9.489 20.444 1.00 0.40 C ATOM 727 CG ASP A 46 -33.725 8.357 20.554 1.00 1.10 C ATOM 728 OD1 ASP A 46 -34.933 8.731 20.445 1.00 1.18 O ATOM 729 OD2 ASP A 46 -33.340 7.270 20.965 1.00 1.85 O ATOM 0 H ASP A 46 -31.279 8.445 18.533 1.00 0.30 H new ATOM 0 HA ASP A 46 -33.626 10.123 18.537 1.00 0.34 H new ATOM 0 HB2 ASP A 46 -31.774 9.179 20.815 1.00 0.40 H new ATOM 0 HB3 ASP A 46 -33.077 10.324 21.064 1.00 0.40 H new ATOM 734 N PHE A 47 -32.442 12.293 18.407 1.00 0.26 N ATOM 735 CA PHE A 47 -31.691 13.447 17.972 1.00 0.26 C ATOM 736 C PHE A 47 -32.166 14.617 18.799 1.00 0.19 C ATOM 737 O PHE A 47 -33.373 14.658 19.135 1.00 0.21 O ATOM 738 CB PHE A 47 -31.872 13.652 16.422 1.00 0.31 C ATOM 739 CG PHE A 47 -31.383 14.965 15.830 1.00 1.56 C ATOM 740 CD1 PHE A 47 -32.231 16.063 15.957 1.00 2.65 C ATOM 741 CD2 PHE A 47 -30.181 15.089 15.258 1.00 1.72 C ATOM 742 CE1 PHE A 47 -31.954 17.263 15.314 1.00 3.87 C ATOM 743 CE2 PHE A 47 -29.796 16.330 14.696 1.00 2.93 C ATOM 744 CZ PHE A 47 -30.712 17.395 14.692 1.00 3.99 C ATOM 0 H PHE A 47 -33.449 12.383 18.273 1.00 0.26 H new ATOM 0 HA PHE A 47 -30.618 13.327 18.125 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -31.356 12.839 15.912 1.00 0.31 H new ATOM 0 HB3 PHE A 47 -32.932 13.552 16.190 1.00 0.31 H new ATOM 0 HD1 PHE A 47 -33.119 15.980 16.566 1.00 2.65 H new ATOM 0 HD2 PHE A 47 -29.507 14.246 15.225 1.00 1.72 H new ATOM 0 HE1 PHE A 47 -32.676 18.066 15.296 1.00 3.87 H new ATOM 0 HE2 PHE A 47 -28.809 16.456 14.275 1.00 2.93 H new ATOM 0 HZ PHE A 47 -30.453 18.323 14.204 1.00 3.99 H new ATOM 754 N THR A 48 -31.229 15.538 19.052 1.00 0.22 N ATOM 755 CA THR A 48 -31.504 16.779 19.683 1.00 0.23 C ATOM 756 C THR A 48 -30.782 17.862 18.970 1.00 0.21 C ATOM 757 O THR A 48 -29.562 17.829 18.865 1.00 0.21 O ATOM 758 CB THR A 48 -30.928 16.714 21.101 1.00 0.25 C ATOM 759 OG1 THR A 48 -31.749 15.844 21.887 1.00 0.27 O ATOM 760 CG2 THR A 48 -31.009 18.028 21.791 1.00 0.29 C ATOM 0 H THR A 48 -30.246 15.413 18.808 1.00 0.22 H new ATOM 0 HA THR A 48 -32.577 16.969 19.682 1.00 0.23 H new ATOM 0 HB THR A 48 -29.893 16.385 21.011 1.00 0.25 H new ATOM 0 HG1 THR A 48 -31.391 15.791 22.798 1.00 0.27 H new ATOM 0 HG21 THR A 48 -30.590 17.939 22.793 1.00 0.29 H new ATOM 0 HG22 THR A 48 -30.445 18.771 21.227 1.00 0.29 H new ATOM 0 HG23 THR A 48 -32.051 18.339 21.860 1.00 0.29 H new ATOM 768 N TRP A 49 -31.503 18.942 18.668 1.00 0.23 N ATOM 769 CA TRP A 49 -31.000 20.193 18.096 1.00 0.24 C ATOM 770 C TRP A 49 -31.301 21.384 19.002 1.00 0.25 C ATOM 771 O TRP A 49 -32.438 21.580 19.437 1.00 0.29 O ATOM 772 CB TRP A 49 -31.505 20.298 16.651 1.00 0.29 C ATOM 773 CG TRP A 49 -31.813 21.593 15.958 1.00 0.26 C ATOM 774 CD1 TRP A 49 -32.725 22.498 16.373 1.00 0.29 C ATOM 775 CD2 TRP A 49 -31.563 21.918 14.552 1.00 0.23 C ATOM 776 NE1 TRP A 49 -33.089 23.321 15.324 1.00 0.29 N ATOM 777 CE2 TRP A 49 -32.423 22.987 14.168 1.00 0.25 C ATOM 778 CE3 TRP A 49 -30.781 21.339 13.536 1.00 0.22 C ATOM 779 CZ2 TRP A 49 -32.545 23.420 12.839 1.00 0.24 C ATOM 780 CZ3 TRP A 49 -30.902 21.755 12.195 1.00 0.21 C ATOM 781 CH2 TRP A 49 -31.819 22.753 11.840 1.00 0.22 C ATOM 0 H TRP A 49 -32.511 18.970 18.824 1.00 0.23 H new ATOM 0 HA TRP A 49 -29.911 20.200 18.043 1.00 0.24 H new ATOM 0 HB2 TRP A 49 -30.764 19.792 16.033 1.00 0.29 H new ATOM 0 HB3 TRP A 49 -32.418 19.704 16.605 1.00 0.29 H new ATOM 0 HD1 TRP A 49 -33.113 22.569 17.378 1.00 0.29 H new ATOM 0 HE1 TRP A 49 -33.766 24.080 15.398 1.00 0.29 H new ATOM 0 HE3 TRP A 49 -30.075 20.562 13.788 1.00 0.22 H new ATOM 0 HZ2 TRP A 49 -33.186 24.252 12.589 1.00 0.24 H new ATOM 0 HZ3 TRP A 49 -30.283 21.301 11.435 1.00 0.21 H new ATOM 0 HH2 TRP A 49 -31.967 23.008 10.801 1.00 0.22 H new ATOM 792 N SER A 50 -30.258 22.155 19.298 1.00 0.23 N ATOM 793 CA SER A 50 -30.327 23.343 20.128 1.00 0.25 C ATOM 794 C SER A 50 -29.634 24.518 19.552 1.00 0.26 C ATOM 795 O SER A 50 -28.377 24.522 19.564 1.00 0.32 O ATOM 796 CB SER A 50 -29.616 23.048 21.450 1.00 0.26 C ATOM 797 OG SER A 50 -30.357 22.036 22.159 1.00 1.22 O ATOM 0 H SER A 50 -29.317 21.961 18.955 1.00 0.23 H new ATOM 0 HA SER A 50 -31.386 23.579 20.233 1.00 0.25 H new ATOM 0 HB2 SER A 50 -28.597 22.709 21.263 1.00 0.26 H new ATOM 0 HB3 SER A 50 -29.545 23.955 22.051 1.00 0.26 H new ATOM 0 HG SER A 50 -29.909 21.837 23.008 1.00 1.22 H new ATOM 803 N GLN A 51 -30.390 25.526 19.136 1.00 0.26 N ATOM 804 CA GLN A 51 -29.915 26.702 18.423 1.00 0.27 C ATOM 805 C GLN A 51 -29.998 27.930 19.330 1.00 0.28 C ATOM 806 O GLN A 51 -30.785 27.956 20.279 1.00 0.31 O ATOM 807 CB GLN A 51 -30.773 26.912 17.167 1.00 0.35 C ATOM 808 CG GLN A 51 -31.110 25.617 16.411 1.00 0.53 C ATOM 809 CD GLN A 51 -31.132 25.799 14.903 1.00 0.69 C ATOM 810 OE1 GLN A 51 -30.416 25.303 14.047 1.00 1.50 O ATOM 811 NE2 GLN A 51 -32.052 26.607 14.425 1.00 0.53 N ATOM 0 H GLN A 51 -31.397 25.546 19.294 1.00 0.26 H new ATOM 0 HA GLN A 51 -28.875 26.556 18.129 1.00 0.27 H new ATOM 0 HB2 GLN A 51 -31.702 27.405 17.453 1.00 0.35 H new ATOM 0 HB3 GLN A 51 -30.249 27.588 16.491 1.00 0.35 H new ATOM 0 HG2 GLN A 51 -30.378 24.851 16.668 1.00 0.53 H new ATOM 0 HG3 GLN A 51 -32.082 25.252 16.742 1.00 0.53 H new ATOM 0 HE21 GLN A 51 -32.701 27.072 15.059 1.00 0.53 H new ATOM 0 HE22 GLN A 51 -32.116 26.769 13.420 1.00 0.53 H new ATOM 820 N HIS A 52 -29.300 29.008 18.972 1.00 0.36 N ATOM 821 CA HIS A 52 -29.394 30.301 19.644 1.00 0.39 C ATOM 822 C HIS A 52 -29.206 31.441 18.640 1.00 0.41 C ATOM 823 O HIS A 52 -28.133 31.536 18.040 1.00 0.45 O ATOM 824 CB HIS A 52 -28.349 30.410 20.777 1.00 0.41 C ATOM 825 CG HIS A 52 -28.163 29.191 21.652 1.00 0.85 C ATOM 826 ND1 HIS A 52 -28.795 28.913 22.854 1.00 1.08 N ATOM 827 CD2 HIS A 52 -27.225 28.214 21.442 1.00 1.97 C ATOM 828 CE1 HIS A 52 -28.235 27.797 23.367 1.00 1.53 C ATOM 829 NE2 HIS A 52 -27.284 27.356 22.523 1.00 2.21 N ATOM 0 H HIS A 52 -28.642 29.005 18.193 1.00 0.36 H new ATOM 0 HA HIS A 52 -30.388 30.382 20.085 1.00 0.39 H new ATOM 0 HB2 HIS A 52 -27.386 30.657 20.329 1.00 0.41 H new ATOM 0 HB3 HIS A 52 -28.627 31.248 21.416 1.00 0.41 H new ATOM 0 HD2 HIS A 52 -26.564 28.131 20.592 1.00 1.97 H new ATOM 0 HE1 HIS A 52 -28.506 27.333 24.304 1.00 1.53 H new ATOM 0 HE2 HIS A 52 -26.704 26.528 22.659 1.00 2.21 H new ATOM 837 N TYR A 53 -30.197 32.351 18.530 1.00 0.42 N ATOM 838 CA TYR A 53 -29.896 33.670 17.952 1.00 0.45 C ATOM 839 C TYR A 53 -29.027 34.554 18.852 1.00 0.57 C ATOM 840 O TYR A 53 -29.467 34.918 19.943 1.00 0.67 O ATOM 841 CB TYR A 53 -31.089 34.335 17.240 1.00 0.52 C ATOM 842 CG TYR A 53 -32.472 34.251 17.868 1.00 0.55 C ATOM 843 CD1 TYR A 53 -33.308 33.162 17.558 1.00 0.53 C ATOM 844 CD2 TYR A 53 -32.983 35.330 18.618 1.00 0.67 C ATOM 845 CE1 TYR A 53 -34.646 33.144 17.995 1.00 0.62 C ATOM 846 CE2 TYR A 53 -34.334 35.336 19.023 1.00 0.75 C ATOM 847 CZ TYR A 53 -35.171 34.245 18.697 1.00 0.72 C ATOM 848 OH TYR A 53 -36.457 34.197 19.146 1.00 0.84 O ATOM 0 H TYR A 53 -31.165 32.206 18.819 1.00 0.42 H new ATOM 0 HA TYR A 53 -29.227 33.488 17.111 1.00 0.45 H new ATOM 0 HB2 TYR A 53 -30.849 35.391 17.116 1.00 0.52 H new ATOM 0 HB3 TYR A 53 -31.156 33.904 16.241 1.00 0.52 H new ATOM 0 HD1 TYR A 53 -32.921 32.335 16.981 1.00 0.53 H new ATOM 0 HD2 TYR A 53 -32.338 36.155 18.883 1.00 0.67 H new ATOM 0 HE1 TYR A 53 -35.269 32.286 17.792 1.00 0.62 H new ATOM 0 HE2 TYR A 53 -34.728 36.173 19.581 1.00 0.75 H new ATOM 0 HH TYR A 53 -37.012 34.805 18.614 1.00 0.84 H new ATOM 883 N HIS A 57 -31.553 34.415 22.382 1.00 0.94 N ATOM 884 CA HIS A 57 -32.650 33.429 22.621 1.00 0.81 C ATOM 885 C HIS A 57 -32.304 31.987 22.173 1.00 0.66 C ATOM 886 O HIS A 57 -31.681 31.838 21.128 1.00 0.63 O ATOM 887 CB HIS A 57 -33.901 33.926 21.866 1.00 0.85 C ATOM 888 CG HIS A 57 -35.244 33.404 22.336 1.00 0.92 C ATOM 889 ND1 HIS A 57 -36.333 33.143 21.519 1.00 0.89 N ATOM 890 CD2 HIS A 57 -35.643 33.189 23.629 1.00 1.08 C ATOM 891 CE1 HIS A 57 -37.366 32.766 22.295 1.00 1.05 C ATOM 892 NE2 HIS A 57 -36.965 32.775 23.582 1.00 1.17 N ATOM 0 HA HIS A 57 -32.818 33.371 23.696 1.00 0.81 H new ATOM 0 HB2 HIS A 57 -33.922 35.014 21.925 1.00 0.85 H new ATOM 0 HB3 HIS A 57 -33.786 33.666 20.814 1.00 0.85 H new ATOM 0 HD1 HIS A 57 -36.349 33.223 20.502 1.00 0.89 H new ATOM 0 HD2 HIS A 57 -35.041 33.318 24.517 1.00 1.08 H new ATOM 0 HE1 HIS A 57 -38.352 32.500 21.945 1.00 1.05 H new ATOM 900 N THR A 58 -32.796 30.946 22.872 1.00 0.61 N ATOM 901 CA THR A 58 -32.550 29.531 22.619 1.00 0.54 C ATOM 902 C THR A 58 -33.759 28.929 21.926 1.00 0.53 C ATOM 903 O THR A 58 -34.884 29.032 22.426 1.00 0.64 O ATOM 904 CB THR A 58 -32.238 28.776 23.920 1.00 0.61 C ATOM 905 OG1 THR A 58 -31.163 29.447 24.524 1.00 0.73 O ATOM 906 CG2 THR A 58 -31.753 27.359 23.671 1.00 0.60 C ATOM 0 H THR A 58 -33.411 31.089 23.673 1.00 0.61 H new ATOM 0 HA THR A 58 -31.677 29.437 21.973 1.00 0.54 H new ATOM 0 HB THR A 58 -33.148 28.739 24.519 1.00 0.61 H new ATOM 0 HG1 THR A 58 -30.348 29.296 24.001 1.00 0.73 H new ATOM 0 HG21 THR A 58 -31.547 26.872 24.624 1.00 0.60 H new ATOM 0 HG22 THR A 58 -32.521 26.800 23.136 1.00 0.60 H new ATOM 0 HG23 THR A 58 -30.842 27.386 23.073 1.00 0.60 H new ATOM 914 N MET A 59 -33.540 28.084 20.921 1.00 0.47 N ATOM 915 CA MET A 59 -34.584 27.256 20.296 1.00 0.53 C ATOM 916 C MET A 59 -34.170 25.788 20.411 1.00 0.45 C ATOM 917 O MET A 59 -33.014 25.464 20.162 1.00 0.52 O ATOM 918 CB MET A 59 -34.816 27.660 18.825 1.00 0.70 C ATOM 919 CG MET A 59 -34.748 29.176 18.575 1.00 0.68 C ATOM 920 SD MET A 59 -33.119 29.760 18.031 1.00 1.13 S ATOM 921 CE MET A 59 -33.290 29.394 16.261 1.00 0.46 C ATOM 0 H MET A 59 -32.618 27.949 20.507 1.00 0.47 H new ATOM 0 HA MET A 59 -35.531 27.410 20.814 1.00 0.53 H new ATOM 0 HB2 MET A 59 -34.071 27.165 18.201 1.00 0.70 H new ATOM 0 HB3 MET A 59 -35.792 27.293 18.508 1.00 0.70 H new ATOM 0 HG2 MET A 59 -35.489 29.444 17.822 1.00 0.68 H new ATOM 0 HG3 MET A 59 -35.023 29.698 19.492 1.00 0.68 H new ATOM 0 HE1 MET A 59 -32.306 29.202 15.833 1.00 0.46 H new ATOM 0 HE2 MET A 59 -33.921 28.515 16.131 1.00 0.46 H new ATOM 0 HE3 MET A 59 -33.746 30.246 15.756 1.00 0.46 H new ATOM 931 N THR A 60 -35.068 24.893 20.839 1.00 0.42 N ATOM 932 CA THR A 60 -34.776 23.447 20.918 1.00 0.40 C ATOM 933 C THR A 60 -35.796 22.555 20.235 1.00 0.38 C ATOM 934 O THR A 60 -36.999 22.756 20.384 1.00 0.49 O ATOM 935 CB THR A 60 -34.309 22.948 22.304 1.00 0.54 C ATOM 936 OG1 THR A 60 -35.377 22.394 23.044 1.00 0.68 O ATOM 937 CG2 THR A 60 -33.657 24.005 23.193 1.00 0.53 C ATOM 0 H THR A 60 -36.011 25.142 21.139 1.00 0.42 H new ATOM 0 HA THR A 60 -33.884 23.340 20.300 1.00 0.40 H new ATOM 0 HB THR A 60 -33.554 22.203 22.054 1.00 0.54 H new ATOM 0 HG1 THR A 60 -35.047 22.087 23.914 1.00 0.68 H new ATOM 0 HG21 THR A 60 -33.366 23.553 24.141 1.00 0.53 H new ATOM 0 HG22 THR A 60 -32.774 24.405 22.695 1.00 0.53 H new ATOM 0 HG23 THR A 60 -34.366 24.812 23.378 1.00 0.53 H new ATOM 945 N ASN A 61 -35.326 21.597 19.446 1.00 0.30 N ATOM 946 CA ASN A 61 -36.144 20.687 18.649 1.00 0.29 C ATOM 947 C ASN A 61 -35.649 19.257 18.953 1.00 0.30 C ATOM 948 O ASN A 61 -34.448 18.993 18.853 1.00 0.52 O ATOM 949 CB ASN A 61 -36.046 21.075 17.151 1.00 0.32 C ATOM 950 CG ASN A 61 -36.362 22.523 16.746 1.00 0.45 C ATOM 951 OD1 ASN A 61 -35.853 23.031 15.765 1.00 0.84 O ATOM 952 ND2 ASN A 61 -37.054 23.318 17.528 1.00 0.47 N ATOM 0 H ASN A 61 -34.326 21.425 19.339 1.00 0.30 H new ATOM 0 HA ASN A 61 -37.203 20.747 18.900 1.00 0.29 H new ATOM 0 HB2 ASN A 61 -35.033 20.851 16.816 1.00 0.32 H new ATOM 0 HB3 ASN A 61 -36.718 20.421 16.595 1.00 0.32 H new ATOM 0 HD21 ASN A 61 -37.143 24.308 17.299 1.00 0.47 H new ATOM 0 HD22 ASN A 61 -37.503 22.946 18.365 1.00 0.47 H new ATOM 959 N LYS A 62 -36.511 18.397 19.520 1.00 0.29 N ATOM 960 CA LYS A 62 -36.139 17.104 20.143 1.00 0.29 C ATOM 961 C LYS A 62 -37.003 15.989 19.573 1.00 0.29 C ATOM 962 O LYS A 62 -38.212 15.950 19.854 1.00 0.39 O ATOM 963 CB LYS A 62 -36.451 17.151 21.642 1.00 0.28 C ATOM 964 CG LYS A 62 -35.795 18.189 22.557 1.00 0.31 C ATOM 965 CD LYS A 62 -36.234 17.929 24.058 1.00 0.43 C ATOM 966 CE LYS A 62 -35.930 19.024 25.100 1.00 0.46 C ATOM 967 NZ LYS A 62 -34.495 19.025 25.379 1.00 0.83 N ATOM 0 H LYS A 62 -37.513 18.581 19.562 1.00 0.29 H new ATOM 0 HA LYS A 62 -35.080 16.928 19.953 1.00 0.29 H new ATOM 0 HB2 LYS A 62 -37.529 17.278 21.739 1.00 0.28 H new ATOM 0 HB3 LYS A 62 -36.208 16.169 22.049 1.00 0.28 H new ATOM 0 HG2 LYS A 62 -34.710 18.131 22.470 1.00 0.31 H new ATOM 0 HG3 LYS A 62 -36.086 19.194 22.251 1.00 0.31 H new ATOM 0 HD2 LYS A 62 -37.309 17.750 24.065 1.00 0.43 H new ATOM 0 HD3 LYS A 62 -35.755 17.008 24.391 1.00 0.43 H new ATOM 0 HE2 LYS A 62 -36.242 19.999 24.725 1.00 0.46 H new ATOM 0 HE3 LYS A 62 -36.492 18.840 26.016 1.00 0.46 H new ATOM 0 HZ1 LYS A 62 -34.278 19.761 26.081 1.00 0.83 H new ATOM 0 HZ2 LYS A 62 -34.213 18.096 25.752 1.00 0.83 H new ATOM 0 HZ3 LYS A 62 -33.971 19.219 24.502 1.00 0.83 H new ATOM 981 N PHE A 63 -36.495 15.031 18.797 1.00 0.27 N ATOM 982 CA PHE A 63 -37.398 14.026 18.196 1.00 0.25 C ATOM 983 C PHE A 63 -36.618 12.756 17.846 1.00 0.22 C ATOM 984 O PHE A 63 -35.397 12.774 17.696 1.00 0.22 O ATOM 985 CB PHE A 63 -38.059 14.608 16.924 1.00 0.30 C ATOM 986 CG PHE A 63 -37.109 14.729 15.759 1.00 0.30 C ATOM 987 CD1 PHE A 63 -36.185 15.785 15.717 1.00 0.53 C ATOM 988 CD2 PHE A 63 -37.041 13.704 14.797 1.00 0.34 C ATOM 989 CE1 PHE A 63 -35.167 15.772 14.755 1.00 0.58 C ATOM 990 CE2 PHE A 63 -35.996 13.678 13.862 1.00 0.40 C ATOM 991 CZ PHE A 63 -35.050 14.711 13.845 1.00 0.42 C ATOM 0 H PHE A 63 -35.506 14.923 18.571 1.00 0.27 H new ATOM 0 HA PHE A 63 -38.174 13.772 18.918 1.00 0.25 H new ATOM 0 HB2 PHE A 63 -38.897 13.973 16.636 1.00 0.30 H new ATOM 0 HB3 PHE A 63 -38.468 15.592 17.154 1.00 0.30 H new ATOM 0 HD1 PHE A 63 -36.258 16.601 16.421 1.00 0.53 H new ATOM 0 HD2 PHE A 63 -37.797 12.933 14.779 1.00 0.34 H new ATOM 0 HE1 PHE A 63 -34.463 16.590 14.713 1.00 0.58 H new ATOM 0 HE2 PHE A 63 -35.921 12.864 13.157 1.00 0.40 H new ATOM 0 HZ PHE A 63 -34.236 14.691 13.136 1.00 0.42 H new ATOM 1001 N THR A 64 -37.367 11.685 17.573 1.00 0.21 N ATOM 1002 CA THR A 64 -36.779 10.417 17.073 1.00 0.19 C ATOM 1003 C THR A 64 -36.934 10.270 15.560 1.00 0.18 C ATOM 1004 O THR A 64 -38.025 10.500 15.036 1.00 0.21 O ATOM 1005 CB THR A 64 -37.272 9.169 17.834 1.00 0.22 C ATOM 1006 OG1 THR A 64 -37.382 9.390 19.222 1.00 0.29 O ATOM 1007 CG2 THR A 64 -36.435 7.913 17.606 1.00 0.21 C ATOM 0 H THR A 64 -38.380 11.660 17.686 1.00 0.21 H new ATOM 0 HA THR A 64 -35.711 10.484 17.282 1.00 0.19 H new ATOM 0 HB THR A 64 -38.259 8.990 17.407 1.00 0.22 H new ATOM 0 HG1 THR A 64 -36.529 9.177 19.656 1.00 0.29 H new ATOM 0 HG21 THR A 64 -36.855 7.087 18.180 1.00 0.21 H new ATOM 0 HG22 THR A 64 -36.441 7.659 16.546 1.00 0.21 H new ATOM 0 HG23 THR A 64 -35.410 8.095 17.929 1.00 0.21 H new ATOM 1015 N VAL A 65 -35.856 9.954 14.844 1.00 0.18 N ATOM 1016 CA VAL A 65 -35.893 9.791 13.383 1.00 0.19 C ATOM 1017 C VAL A 65 -36.715 8.586 12.920 1.00 0.18 C ATOM 1018 O VAL A 65 -36.671 7.530 13.551 1.00 0.25 O ATOM 1019 CB VAL A 65 -34.484 9.872 12.778 1.00 0.28 C ATOM 1020 CG1 VAL A 65 -33.717 8.549 12.840 1.00 0.60 C ATOM 1021 CG2 VAL A 65 -34.553 10.326 11.323 1.00 0.86 C ATOM 0 H VAL A 65 -34.934 9.803 15.254 1.00 0.18 H new ATOM 0 HA VAL A 65 -36.445 10.640 12.979 1.00 0.19 H new ATOM 0 HB VAL A 65 -33.943 10.598 13.386 1.00 0.28 H new ATOM 0 HG11 VAL A 65 -32.730 8.679 12.395 1.00 0.60 H new ATOM 0 HG12 VAL A 65 -33.609 8.240 13.880 1.00 0.60 H new ATOM 0 HG13 VAL A 65 -34.265 7.785 12.289 1.00 0.60 H new ATOM 0 HG21 VAL A 65 -33.546 10.378 10.910 1.00 0.86 H new ATOM 0 HG22 VAL A 65 -35.145 9.614 10.747 1.00 0.86 H new ATOM 0 HG23 VAL A 65 -35.018 11.311 11.271 1.00 0.86 H new ATOM 1031 N GLY A 66 -37.543 8.769 11.887 1.00 0.16 N ATOM 1032 CA GLY A 66 -38.572 7.805 11.484 1.00 0.19 C ATOM 1033 C GLY A 66 -39.846 7.828 12.341 1.00 0.20 C ATOM 1034 O GLY A 66 -40.697 6.965 12.136 1.00 0.26 O ATOM 0 H GLY A 66 -37.517 9.602 11.299 1.00 0.16 H new ATOM 0 HA2 GLY A 66 -38.845 7.999 10.447 1.00 0.19 H new ATOM 0 HA3 GLY A 66 -38.145 6.803 11.519 1.00 0.19 H new ATOM 1038 N LYS A 67 -39.929 8.728 13.323 1.00 0.18 N ATOM 1039 CA LYS A 67 -41.096 8.923 14.180 1.00 0.20 C ATOM 1040 C LYS A 67 -41.719 10.283 13.873 1.00 0.21 C ATOM 1041 O LYS A 67 -41.075 11.183 13.335 1.00 0.41 O ATOM 1042 CB LYS A 67 -40.659 8.751 15.644 1.00 0.35 C ATOM 1043 CG LYS A 67 -41.763 8.169 16.535 1.00 0.36 C ATOM 1044 CD LYS A 67 -41.174 7.771 17.895 1.00 0.65 C ATOM 1045 CE LYS A 67 -42.223 7.056 18.757 1.00 0.84 C ATOM 1046 NZ LYS A 67 -41.630 6.602 20.037 1.00 1.54 N ATOM 0 H LYS A 67 -39.161 9.360 13.549 1.00 0.18 H new ATOM 0 HA LYS A 67 -41.872 8.181 13.991 1.00 0.20 H new ATOM 0 HB2 LYS A 67 -39.787 8.098 15.683 1.00 0.35 H new ATOM 0 HB3 LYS A 67 -40.351 9.718 16.041 1.00 0.35 H new ATOM 0 HG2 LYS A 67 -42.557 8.903 16.673 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -42.212 7.300 16.054 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -40.313 7.119 17.746 1.00 0.65 H new ATOM 0 HD3 LYS A 67 -40.815 8.659 18.414 1.00 0.65 H new ATOM 0 HE2 LYS A 67 -43.057 7.729 18.956 1.00 0.84 H new ATOM 0 HE3 LYS A 67 -42.626 6.201 18.214 1.00 0.84 H new ATOM 0 HZ1 LYS A 67 -42.356 6.121 20.605 1.00 1.54 H new ATOM 0 HZ2 LYS A 67 -40.849 5.943 19.843 1.00 1.54 H new ATOM 0 HZ3 LYS A 67 -41.268 7.423 20.562 1.00 1.54 H new ATOM 1060 N GLU A 68 -42.993 10.418 14.213 1.00 0.20 N ATOM 1061 CA GLU A 68 -43.805 11.555 13.921 1.00 0.23 C ATOM 1062 C GLU A 68 -44.467 12.129 15.164 1.00 0.29 C ATOM 1063 O GLU A 68 -44.492 11.631 16.297 1.00 0.38 O ATOM 1064 CB GLU A 68 -44.897 11.038 12.878 1.00 0.28 C ATOM 1065 CG GLU A 68 -45.662 12.076 12.025 1.00 0.36 C ATOM 1066 CD GLU A 68 -47.113 12.066 12.375 1.00 0.49 C ATOM 1067 OE1 GLU A 68 -47.502 12.296 13.518 1.00 0.62 O ATOM 1068 OE2 GLU A 68 -47.960 11.955 11.423 1.00 0.57 O ATOM 0 H GLU A 68 -43.498 9.694 14.724 1.00 0.20 H new ATOM 0 HA GLU A 68 -43.202 12.369 13.518 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -44.400 10.350 12.194 1.00 0.28 H new ATOM 0 HB3 GLU A 68 -45.635 10.458 13.433 1.00 0.28 H new ATOM 0 HG2 GLU A 68 -45.248 13.070 12.192 1.00 0.36 H new ATOM 0 HG3 GLU A 68 -45.535 11.851 10.966 1.00 0.36 H new ATOM 1075 N SER A 69 -45.031 13.315 15.004 1.00 0.29 N ATOM 1076 CA SER A 69 -45.572 14.165 16.112 1.00 0.34 C ATOM 1077 C SER A 69 -44.604 14.621 17.202 1.00 0.34 C ATOM 1078 O SER A 69 -44.951 14.692 18.414 1.00 0.40 O ATOM 1079 CB SER A 69 -46.869 13.539 16.763 1.00 0.43 C ATOM 1080 OG SER A 69 -47.972 13.853 15.928 1.00 1.30 O ATOM 0 H SER A 69 -45.140 13.746 14.086 1.00 0.29 H new ATOM 0 HA SER A 69 -45.813 15.085 15.579 1.00 0.34 H new ATOM 0 HB2 SER A 69 -46.762 12.459 16.863 1.00 0.43 H new ATOM 0 HB3 SER A 69 -47.024 13.939 17.765 1.00 0.43 H new ATOM 0 HG SER A 69 -47.891 13.365 15.082 1.00 1.30 H new ATOM 1086 N ASN A 70 -43.387 15.080 16.853 1.00 0.32 N ATOM 1087 CA ASN A 70 -42.469 15.722 17.835 1.00 0.38 C ATOM 1088 C ASN A 70 -41.519 16.814 17.263 1.00 0.34 C ATOM 1089 O ASN A 70 -40.643 17.340 17.945 1.00 0.37 O ATOM 1090 CB ASN A 70 -41.699 14.601 18.571 1.00 0.49 C ATOM 1091 CG ASN A 70 -41.238 14.990 19.970 1.00 0.63 C ATOM 1092 OD1 ASN A 70 -41.678 15.947 20.579 1.00 0.98 O ATOM 1093 ND2 ASN A 70 -40.544 14.094 20.633 1.00 0.85 N ATOM 0 H ASN A 70 -43.011 15.023 15.906 1.00 0.32 H new ATOM 0 HA ASN A 70 -43.088 16.293 18.527 1.00 0.38 H new ATOM 0 HB2 ASN A 70 -42.337 13.720 18.640 1.00 0.49 H new ATOM 0 HB3 ASN A 70 -40.830 14.319 17.977 1.00 0.49 H new ATOM 0 HD21 ASN A 70 -40.385 14.210 21.634 1.00 0.85 H new ATOM 0 HD22 ASN A 70 -40.164 13.282 20.147 1.00 0.85 H new ATOM 1100 N ILE A 71 -41.665 17.113 15.966 1.00 0.30 N ATOM 1101 CA ILE A 71 -40.798 18.019 15.211 1.00 0.28 C ATOM 1102 C ILE A 71 -41.195 19.466 15.515 1.00 0.29 C ATOM 1103 O ILE A 71 -42.340 19.839 15.257 1.00 0.30 O ATOM 1104 CB ILE A 71 -40.889 17.721 13.692 1.00 0.24 C ATOM 1105 CG1 ILE A 71 -40.285 16.352 13.292 1.00 0.24 C ATOM 1106 CG2 ILE A 71 -40.186 18.834 12.896 1.00 0.23 C ATOM 1107 CD1 ILE A 71 -41.098 15.126 13.733 1.00 0.24 C ATOM 0 H ILE A 71 -42.414 16.717 15.398 1.00 0.30 H new ATOM 0 HA ILE A 71 -39.762 17.866 15.513 1.00 0.28 H new ATOM 0 HB ILE A 71 -41.952 17.684 13.453 1.00 0.24 H new ATOM 0 HG12 ILE A 71 -40.174 16.324 12.208 1.00 0.24 H new ATOM 0 HG13 ILE A 71 -39.284 16.276 13.717 1.00 0.24 H new ATOM 0 HG21 ILE A 71 -40.254 18.618 11.830 1.00 0.23 H new ATOM 0 HG22 ILE A 71 -40.667 19.790 13.104 1.00 0.23 H new ATOM 0 HG23 ILE A 71 -39.138 18.885 13.190 1.00 0.23 H new ATOM 0 HD11 ILE A 71 -40.593 14.217 13.406 1.00 0.24 H new ATOM 0 HD12 ILE A 71 -41.187 15.120 14.819 1.00 0.24 H new ATOM 0 HD13 ILE A 71 -42.092 15.169 13.287 1.00 0.24 H new ATOM 1119 N GLN A 72 -40.238 20.287 15.968 1.00 0.29 N ATOM 1120 CA GLN A 72 -40.529 21.651 16.293 1.00 0.33 C ATOM 1121 C GLN A 72 -39.802 22.528 15.298 1.00 0.31 C ATOM 1122 O GLN A 72 -38.822 22.013 14.712 1.00 0.29 O ATOM 1123 CB GLN A 72 -40.029 22.135 17.728 1.00 0.38 C ATOM 1124 CG GLN A 72 -41.056 22.009 18.825 1.00 0.46 C ATOM 1125 CD GLN A 72 -40.644 22.523 20.206 1.00 0.95 C ATOM 1126 OE1 GLN A 72 -41.054 23.650 20.554 1.00 1.15 O ATOM 1127 NE2 GLN A 72 -39.899 21.717 20.999 1.00 1.96 N ATOM 0 H GLN A 72 -39.266 20.013 16.110 1.00 0.29 H new ATOM 0 HA GLN A 72 -41.616 21.726 16.277 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -39.147 21.557 18.005 1.00 0.38 H new ATOM 0 HB3 GLN A 72 -39.718 23.177 17.657 1.00 0.38 H new ATOM 0 HG2 GLN A 72 -41.954 22.544 18.515 1.00 0.46 H new ATOM 0 HG3 GLN A 72 -41.328 20.958 18.919 1.00 0.46 H new ATOM 0 HE21 GLN A 72 -39.594 20.806 20.657 1.00 1.96 H new ATOM 0 HE22 GLN A 72 -39.643 22.021 21.938 1.00 1.96 H new ATOM 1136 N THR A 73 -40.137 23.808 15.164 1.00 0.36 N ATOM 1137 CA THR A 73 -39.447 24.741 14.260 1.00 0.38 C ATOM 1138 C THR A 73 -38.473 25.714 14.937 1.00 0.42 C ATOM 1139 O THR A 73 -38.187 25.617 16.133 1.00 0.43 O ATOM 1140 CB THR A 73 -40.471 25.482 13.398 1.00 0.42 C ATOM 1141 OG1 THR A 73 -41.179 26.400 14.187 1.00 0.48 O ATOM 1142 CG2 THR A 73 -41.421 24.567 12.619 1.00 0.40 C ATOM 0 H THR A 73 -40.903 24.238 15.683 1.00 0.36 H new ATOM 0 HA THR A 73 -38.805 24.123 13.632 1.00 0.38 H new ATOM 0 HB THR A 73 -39.905 26.012 12.632 1.00 0.42 H new ATOM 0 HG1 THR A 73 -41.716 26.982 13.610 1.00 0.48 H new ATOM 0 HG21 THR A 73 -42.113 25.174 12.035 1.00 0.40 H new ATOM 0 HG22 THR A 73 -40.844 23.929 11.950 1.00 0.40 H new ATOM 0 HG23 THR A 73 -41.983 23.947 13.317 1.00 0.40 H new ATOM 1150 N MET A 74 -37.942 26.655 14.141 1.00 0.45 N ATOM 1151 CA MET A 74 -37.186 27.835 14.604 1.00 0.51 C ATOM 1152 C MET A 74 -37.974 28.761 15.544 1.00 0.60 C ATOM 1153 O MET A 74 -37.464 29.082 16.613 1.00 0.78 O ATOM 1154 CB MET A 74 -36.675 28.643 13.404 1.00 0.63 C ATOM 1155 CG MET A 74 -35.597 27.873 12.652 1.00 0.69 C ATOM 1156 SD MET A 74 -35.204 28.644 11.075 1.00 1.11 S ATOM 1157 CE MET A 74 -34.097 27.414 10.358 1.00 0.59 C ATOM 0 H MET A 74 -38.028 26.617 13.125 1.00 0.45 H new ATOM 0 HA MET A 74 -36.354 27.439 15.186 1.00 0.51 H new ATOM 0 HB2 MET A 74 -37.503 28.868 12.732 1.00 0.63 H new ATOM 0 HB3 MET A 74 -36.275 29.597 13.746 1.00 0.63 H new ATOM 0 HG2 MET A 74 -34.697 27.817 13.264 1.00 0.69 H new ATOM 0 HG3 MET A 74 -35.932 26.850 12.483 1.00 0.69 H new ATOM 0 HE1 MET A 74 -33.937 27.639 9.304 1.00 0.59 H new ATOM 0 HE2 MET A 74 -33.142 27.434 10.883 1.00 0.59 H new ATOM 0 HE3 MET A 74 -34.542 26.424 10.454 1.00 0.59 H new ATOM 1167 N GLY A 75 -39.245 29.065 15.265 1.00 0.57 N ATOM 1168 CA GLY A 75 -40.152 29.737 16.203 1.00 0.65 C ATOM 1169 C GLY A 75 -40.736 28.749 17.149 1.00 0.64 C ATOM 1170 O GLY A 75 -41.192 29.186 18.186 1.00 0.73 O ATOM 0 H GLY A 75 -39.680 28.848 14.368 1.00 0.57 H new ATOM 0 HA2 GLY A 75 -39.611 30.505 16.756 1.00 0.65 H new ATOM 0 HA3 GLY A 75 -40.948 30.240 15.654 1.00 0.65 H new ATOM 1174 N GLY A 76 -40.751 27.445 16.828 1.00 0.56 N ATOM 1175 CA GLY A 76 -41.154 26.449 17.869 1.00 0.57 C ATOM 1176 C GLY A 76 -42.540 25.982 17.683 1.00 0.58 C ATOM 1177 O GLY A 76 -43.219 25.541 18.632 1.00 0.63 O ATOM 0 H GLY A 76 -40.507 27.058 15.916 1.00 0.56 H new ATOM 0 HA2 GLY A 76 -40.477 25.596 17.835 1.00 0.57 H new ATOM 0 HA3 GLY A 76 -41.053 26.897 18.857 1.00 0.57 H new ATOM 1181 N LYS A 77 -43.006 25.980 16.433 1.00 0.54 N ATOM 1182 CA LYS A 77 -44.203 25.339 15.911 1.00 0.56 C ATOM 1183 C LYS A 77 -44.006 23.831 15.906 1.00 0.49 C ATOM 1184 O LYS A 77 -43.057 23.374 15.248 1.00 0.43 O ATOM 1185 CB LYS A 77 -44.416 25.891 14.529 1.00 0.59 C ATOM 1186 CG LYS A 77 -45.639 25.387 13.699 1.00 0.67 C ATOM 1187 CD LYS A 77 -45.941 26.186 12.408 1.00 0.74 C ATOM 1188 CE LYS A 77 -45.176 25.629 11.148 1.00 1.17 C ATOM 1189 NZ LYS A 77 -45.428 26.481 9.924 1.00 1.76 N ATOM 0 H LYS A 77 -42.504 26.475 15.696 1.00 0.54 H new ATOM 0 HA LYS A 77 -45.083 25.538 16.523 1.00 0.56 H new ATOM 0 HB2 LYS A 77 -44.499 26.974 14.615 1.00 0.59 H new ATOM 0 HB3 LYS A 77 -43.516 25.686 13.949 1.00 0.59 H new ATOM 0 HG2 LYS A 77 -45.469 24.345 13.429 1.00 0.67 H new ATOM 0 HG3 LYS A 77 -46.523 25.411 14.336 1.00 0.67 H new ATOM 0 HD2 LYS A 77 -47.014 26.163 12.215 1.00 0.74 H new ATOM 0 HD3 LYS A 77 -45.667 27.230 12.561 1.00 0.74 H new ATOM 0 HE2 LYS A 77 -44.106 25.596 11.356 1.00 1.17 H new ATOM 0 HE3 LYS A 77 -45.494 24.605 10.951 1.00 1.17 H new ATOM 0 HZ1 LYS A 77 -45.527 25.869 9.089 1.00 1.76 H new ATOM 0 HZ2 LYS A 77 -46.302 27.029 10.057 1.00 1.76 H new ATOM 0 HZ3 LYS A 77 -44.629 27.132 9.784 1.00 1.76 H new ATOM 1203 N THR A 78 -44.769 23.114 16.720 1.00 0.50 N ATOM 1204 CA THR A 78 -44.817 21.655 16.627 1.00 0.45 C ATOM 1205 C THR A 78 -45.632 21.277 15.395 1.00 0.44 C ATOM 1206 O THR A 78 -46.789 21.682 15.282 1.00 0.51 O ATOM 1207 CB THR A 78 -45.385 21.020 17.899 1.00 0.50 C ATOM 1208 OG1 THR A 78 -44.553 21.349 18.989 1.00 0.54 O ATOM 1209 CG2 THR A 78 -45.432 19.493 17.819 1.00 0.45 C ATOM 0 H THR A 78 -45.361 23.513 17.449 1.00 0.50 H new ATOM 0 HA THR A 78 -43.804 21.266 16.527 1.00 0.45 H new ATOM 0 HB THR A 78 -46.399 21.402 18.019 1.00 0.50 H new ATOM 0 HG1 THR A 78 -44.912 20.947 19.807 1.00 0.54 H new ATOM 0 HG21 THR A 78 -45.843 19.093 18.746 1.00 0.45 H new ATOM 0 HG22 THR A 78 -46.063 19.192 16.983 1.00 0.45 H new ATOM 0 HG23 THR A 78 -44.424 19.105 17.671 1.00 0.45 H new ATOM 1217 N PHE A 79 -45.062 20.496 14.482 1.00 0.35 N ATOM 1218 CA PHE A 79 -45.811 19.888 13.379 1.00 0.32 C ATOM 1219 C PHE A 79 -45.543 18.410 13.106 1.00 0.30 C ATOM 1220 O PHE A 79 -44.571 17.829 13.587 1.00 0.32 O ATOM 1221 CB PHE A 79 -45.883 20.817 12.145 1.00 0.29 C ATOM 1222 CG PHE A 79 -44.622 21.412 11.543 1.00 0.26 C ATOM 1223 CD1 PHE A 79 -43.325 21.014 11.929 1.00 0.24 C ATOM 1224 CD2 PHE A 79 -44.774 22.282 10.443 1.00 0.27 C ATOM 1225 CE1 PHE A 79 -42.205 21.494 11.227 1.00 0.22 C ATOM 1226 CE2 PHE A 79 -43.654 22.756 9.737 1.00 0.26 C ATOM 1227 CZ PHE A 79 -42.368 22.355 10.129 1.00 0.23 C ATOM 0 H PHE A 79 -44.069 20.265 14.483 1.00 0.35 H new ATOM 0 HA PHE A 79 -46.837 19.812 13.738 1.00 0.32 H new ATOM 0 HB2 PHE A 79 -46.383 20.259 11.353 1.00 0.29 H new ATOM 0 HB3 PHE A 79 -46.535 21.650 12.409 1.00 0.29 H new ATOM 0 HD1 PHE A 79 -43.192 20.341 12.763 1.00 0.24 H new ATOM 0 HD2 PHE A 79 -45.764 22.588 10.139 1.00 0.27 H new ATOM 0 HE1 PHE A 79 -41.213 21.199 11.534 1.00 0.22 H new ATOM 0 HE2 PHE A 79 -43.783 23.424 8.899 1.00 0.26 H new ATOM 0 HZ PHE A 79 -41.503 22.708 9.587 1.00 0.23 H new ATOM 1237 N LYS A 80 -46.486 17.769 12.412 1.00 0.30 N ATOM 1238 CA LYS A 80 -46.458 16.336 12.134 1.00 0.31 C ATOM 1239 C LYS A 80 -45.867 16.046 10.763 1.00 0.27 C ATOM 1240 O LYS A 80 -46.536 16.270 9.760 1.00 0.27 O ATOM 1241 CB LYS A 80 -47.869 15.746 12.248 1.00 0.37 C ATOM 1242 CG LYS A 80 -48.436 15.863 13.670 1.00 0.76 C ATOM 1243 CD LYS A 80 -49.434 17.006 13.904 1.00 0.51 C ATOM 1244 CE LYS A 80 -50.701 16.883 13.039 1.00 1.43 C ATOM 1245 NZ LYS A 80 -51.337 15.547 13.184 1.00 1.96 N ATOM 0 H LYS A 80 -47.302 18.241 12.022 1.00 0.30 H new ATOM 0 HA LYS A 80 -45.816 15.862 12.877 1.00 0.31 H new ATOM 0 HB2 LYS A 80 -48.532 16.259 11.551 1.00 0.37 H new ATOM 0 HB3 LYS A 80 -47.847 14.697 11.953 1.00 0.37 H new ATOM 0 HG2 LYS A 80 -48.925 14.922 13.923 1.00 0.76 H new ATOM 0 HG3 LYS A 80 -47.604 15.986 14.363 1.00 0.76 H new ATOM 0 HD2 LYS A 80 -49.719 17.023 14.956 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -48.946 17.957 13.691 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -51.413 17.658 13.324 1.00 1.43 H new ATOM 0 HE3 LYS A 80 -50.446 17.053 11.993 1.00 1.43 H new ATOM 0 HZ1 LYS A 80 -52.271 15.555 12.726 1.00 1.96 H new ATOM 0 HZ2 LYS A 80 -50.737 14.826 12.734 1.00 1.96 H new ATOM 0 HZ3 LYS A 80 -51.449 15.323 14.194 1.00 1.96 H new ATOM 1259 N ALA A 81 -44.653 15.513 10.732 1.00 0.25 N ATOM 1260 CA ALA A 81 -44.084 14.873 9.553 1.00 0.21 C ATOM 1261 C ALA A 81 -43.102 13.780 9.969 1.00 0.20 C ATOM 1262 O ALA A 81 -42.455 13.869 11.014 1.00 0.22 O ATOM 1263 CB ALA A 81 -43.408 15.910 8.650 1.00 0.19 C ATOM 0 H ALA A 81 -44.026 15.513 11.537 1.00 0.25 H new ATOM 0 HA ALA A 81 -44.888 14.409 8.982 1.00 0.21 H new ATOM 0 HB1 ALA A 81 -42.989 15.413 7.775 1.00 0.19 H new ATOM 0 HB2 ALA A 81 -44.143 16.649 8.330 1.00 0.19 H new ATOM 0 HB3 ALA A 81 -42.610 16.407 9.201 1.00 0.19 H new ATOM 1269 N THR A 82 -42.927 12.821 9.075 1.00 0.19 N ATOM 1270 CA THR A 82 -41.800 11.872 9.051 1.00 0.18 C ATOM 1271 C THR A 82 -40.474 12.561 8.724 1.00 0.16 C ATOM 1272 O THR A 82 -40.374 13.301 7.743 1.00 0.18 O ATOM 1273 CB THR A 82 -42.059 10.731 8.054 1.00 0.23 C ATOM 1274 OG1 THR A 82 -43.300 10.137 8.347 1.00 0.28 O ATOM 1275 CG2 THR A 82 -40.996 9.632 8.085 1.00 0.24 C ATOM 0 H THR A 82 -43.586 12.667 8.312 1.00 0.19 H new ATOM 0 HA THR A 82 -41.721 11.454 10.055 1.00 0.18 H new ATOM 0 HB THR A 82 -42.038 11.182 7.062 1.00 0.23 H new ATOM 0 HG1 THR A 82 -43.472 9.409 7.713 1.00 0.28 H new ATOM 0 HG21 THR A 82 -41.247 8.862 7.355 1.00 0.24 H new ATOM 0 HG22 THR A 82 -40.023 10.060 7.842 1.00 0.24 H new ATOM 0 HG23 THR A 82 -40.959 9.190 9.080 1.00 0.24 H new ATOM 1283 N VAL A 83 -39.415 12.228 9.469 1.00 0.14 N ATOM 1284 CA VAL A 83 -38.065 12.703 9.316 1.00 0.14 C ATOM 1285 C VAL A 83 -37.338 11.406 8.913 1.00 0.15 C ATOM 1286 O VAL A 83 -37.511 10.391 9.605 1.00 0.18 O ATOM 1287 CB VAL A 83 -37.459 13.194 10.645 1.00 0.14 C ATOM 1288 CG1 VAL A 83 -36.247 13.995 10.263 1.00 0.17 C ATOM 1289 CG2 VAL A 83 -38.426 14.021 11.442 1.00 0.17 C ATOM 0 H VAL A 83 -39.501 11.572 10.246 1.00 0.14 H new ATOM 0 HA VAL A 83 -37.994 13.540 8.622 1.00 0.14 H new ATOM 0 HB VAL A 83 -37.206 12.352 11.289 1.00 0.14 H new ATOM 0 HG11 VAL A 83 -35.765 14.377 11.163 1.00 0.17 H new ATOM 0 HG12 VAL A 83 -35.548 13.360 9.718 1.00 0.17 H new ATOM 0 HG13 VAL A 83 -36.547 14.830 9.631 1.00 0.17 H new ATOM 0 HG21 VAL A 83 -37.952 14.343 12.369 1.00 0.17 H new ATOM 0 HG22 VAL A 83 -38.720 14.896 10.862 1.00 0.17 H new ATOM 0 HG23 VAL A 83 -39.309 13.426 11.674 1.00 0.17 H new ATOM 1299 N GLN A 84 -36.612 11.444 7.807 1.00 0.14 N ATOM 1300 CA GLN A 84 -35.934 10.282 7.252 1.00 0.15 C ATOM 1301 C GLN A 84 -34.474 10.631 6.943 1.00 0.15 C ATOM 1302 O GLN A 84 -34.069 11.789 7.058 1.00 0.16 O ATOM 1303 CB GLN A 84 -36.746 9.681 6.081 1.00 0.17 C ATOM 1304 CG GLN A 84 -36.983 10.544 4.825 1.00 0.19 C ATOM 1305 CD GLN A 84 -38.313 11.309 4.806 1.00 0.24 C ATOM 1306 OE1 GLN A 84 -39.337 10.797 4.386 1.00 0.51 O ATOM 1307 NE2 GLN A 84 -38.475 12.378 5.556 1.00 0.52 N ATOM 0 H GLN A 84 -36.475 12.295 7.261 1.00 0.14 H new ATOM 0 HA GLN A 84 -35.886 9.475 7.983 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -36.243 8.767 5.764 1.00 0.17 H new ATOM 0 HB3 GLN A 84 -37.721 9.389 6.470 1.00 0.17 H new ATOM 0 HG2 GLN A 84 -36.167 11.261 4.736 1.00 0.19 H new ATOM 0 HG3 GLN A 84 -36.939 9.900 3.946 1.00 0.19 H new ATOM 0 HE21 GLN A 84 -37.662 12.858 5.942 1.00 0.52 H new ATOM 0 HE22 GLN A 84 -39.414 12.726 5.752 1.00 0.52 H new ATOM 1316 N MET A 85 -33.658 9.590 6.780 1.00 0.16 N ATOM 1317 CA MET A 85 -32.234 9.717 6.496 1.00 0.17 C ATOM 1318 C MET A 85 -31.865 8.892 5.287 1.00 0.20 C ATOM 1319 O MET A 85 -31.934 7.665 5.343 1.00 0.22 O ATOM 1320 CB MET A 85 -31.349 9.282 7.677 1.00 0.21 C ATOM 1321 CG MET A 85 -31.614 10.081 8.947 1.00 0.21 C ATOM 1322 SD MET A 85 -30.422 9.854 10.301 1.00 0.23 S ATOM 1323 CE MET A 85 -28.959 10.614 9.549 1.00 0.19 C ATOM 0 H MET A 85 -33.975 8.622 6.843 1.00 0.16 H new ATOM 0 HA MET A 85 -32.052 10.775 6.309 1.00 0.17 H new ATOM 0 HB2 MET A 85 -31.516 8.224 7.879 1.00 0.21 H new ATOM 0 HB3 MET A 85 -30.301 9.391 7.398 1.00 0.21 H new ATOM 0 HG2 MET A 85 -31.640 11.139 8.687 1.00 0.21 H new ATOM 0 HG3 MET A 85 -32.606 9.819 9.316 1.00 0.21 H new ATOM 0 HE1 MET A 85 -28.226 10.838 10.324 1.00 0.19 H new ATOM 0 HE2 MET A 85 -28.523 9.925 8.825 1.00 0.19 H new ATOM 0 HE3 MET A 85 -29.247 11.536 9.044 1.00 0.19 H new ATOM 1333 N GLU A 86 -31.208 9.530 4.326 1.00 0.26 N ATOM 1334 CA GLU A 86 -30.550 8.841 3.251 1.00 0.31 C ATOM 1335 C GLU A 86 -29.073 9.072 3.346 1.00 0.31 C ATOM 1336 O GLU A 86 -28.586 10.170 3.229 1.00 0.34 O ATOM 1337 CB GLU A 86 -31.047 9.270 1.851 1.00 0.40 C ATOM 1338 CG GLU A 86 -32.501 8.991 1.513 1.00 0.41 C ATOM 1339 CD GLU A 86 -33.477 10.091 2.001 1.00 0.95 C ATOM 1340 OE1 GLU A 86 -33.091 11.259 1.790 1.00 1.53 O ATOM 1341 OE2 GLU A 86 -34.610 9.758 2.452 1.00 1.35 O ATOM 0 H GLU A 86 -31.123 10.545 4.281 1.00 0.26 H new ATOM 0 HA GLU A 86 -30.790 7.783 3.360 1.00 0.31 H new ATOM 0 HB2 GLU A 86 -30.876 10.341 1.746 1.00 0.40 H new ATOM 0 HB3 GLU A 86 -30.426 8.773 1.106 1.00 0.40 H new ATOM 0 HG2 GLU A 86 -32.599 8.884 0.433 1.00 0.41 H new ATOM 0 HG3 GLU A 86 -32.791 8.038 1.956 1.00 0.41 H new ATOM 1348 N GLY A 87 -28.321 8.010 3.590 1.00 0.36 N ATOM 1349 CA GLY A 87 -26.849 7.998 3.776 1.00 0.43 C ATOM 1350 C GLY A 87 -26.484 8.677 5.076 1.00 0.50 C ATOM 1351 O GLY A 87 -26.105 8.057 6.112 1.00 1.05 O ATOM 0 H GLY A 87 -28.726 7.077 3.671 1.00 0.36 H new ATOM 0 HA2 GLY A 87 -26.483 6.971 3.778 1.00 0.43 H new ATOM 0 HA3 GLY A 87 -26.365 8.507 2.942 1.00 0.43 H new ATOM 1355 N GLY A 88 -26.562 10.023 5.164 1.00 0.30 N ATOM 1356 CA GLY A 88 -25.948 10.910 6.219 1.00 0.25 C ATOM 1357 C GLY A 88 -26.598 12.251 6.303 1.00 0.24 C ATOM 1358 O GLY A 88 -26.002 13.281 6.433 1.00 0.36 O ATOM 0 H GLY A 88 -27.079 10.565 4.472 1.00 0.30 H new ATOM 0 HA2 GLY A 88 -26.020 10.416 7.188 1.00 0.25 H new ATOM 0 HA3 GLY A 88 -24.887 11.039 6.005 1.00 0.25 H new ATOM 1362 N LYS A 89 -27.906 12.313 6.122 1.00 0.19 N ATOM 1363 CA LYS A 89 -28.676 13.619 6.024 1.00 0.18 C ATOM 1364 C LYS A 89 -30.027 13.533 6.757 1.00 0.15 C ATOM 1365 O LYS A 89 -30.598 12.481 6.849 1.00 0.16 O ATOM 1366 CB LYS A 89 -28.793 14.171 4.626 1.00 0.22 C ATOM 1367 CG LYS A 89 -29.890 13.525 3.756 1.00 0.26 C ATOM 1368 CD LYS A 89 -29.710 13.950 2.208 1.00 0.60 C ATOM 1369 CE LYS A 89 -30.970 13.877 1.286 1.00 1.62 C ATOM 1370 NZ LYS A 89 -31.048 12.523 0.615 1.00 2.70 N ATOM 0 H LYS A 89 -28.495 11.485 6.035 1.00 0.19 H new ATOM 0 HA LYS A 89 -28.071 14.360 6.546 1.00 0.18 H new ATOM 0 HB2 LYS A 89 -28.986 15.242 4.690 1.00 0.22 H new ATOM 0 HB3 LYS A 89 -27.834 14.049 4.123 1.00 0.22 H new ATOM 0 HG2 LYS A 89 -29.844 12.440 3.849 1.00 0.26 H new ATOM 0 HG3 LYS A 89 -30.873 13.834 4.112 1.00 0.26 H new ATOM 0 HD2 LYS A 89 -29.334 14.973 2.182 1.00 0.60 H new ATOM 0 HD3 LYS A 89 -28.938 13.315 1.773 1.00 0.60 H new ATOM 0 HE2 LYS A 89 -31.871 14.052 1.874 1.00 1.62 H new ATOM 0 HE3 LYS A 89 -30.924 14.663 0.532 1.00 1.62 H new ATOM 0 HZ1 LYS A 89 -31.104 12.649 -0.416 1.00 2.70 H new ATOM 0 HZ2 LYS A 89 -30.200 11.970 0.850 1.00 2.70 H new ATOM 0 HZ3 LYS A 89 -31.894 12.018 0.949 1.00 2.70 H new ATOM 1384 N LEU A 90 -30.595 14.632 7.257 1.00 0.16 N ATOM 1385 CA LEU A 90 -31.968 14.636 7.820 1.00 0.15 C ATOM 1386 C LEU A 90 -32.917 15.486 6.966 1.00 0.15 C ATOM 1387 O LEU A 90 -32.507 16.522 6.445 1.00 0.19 O ATOM 1388 CB LEU A 90 -31.953 15.092 9.289 1.00 0.18 C ATOM 1389 CG LEU A 90 -31.413 14.056 10.289 1.00 0.19 C ATOM 1390 CD1 LEU A 90 -30.991 14.710 11.607 1.00 0.23 C ATOM 1391 CD2 LEU A 90 -32.490 13.036 10.644 1.00 0.18 C ATOM 0 H LEU A 90 -30.132 15.540 7.288 1.00 0.16 H new ATOM 0 HA LEU A 90 -32.349 13.615 7.797 1.00 0.15 H new ATOM 0 HB2 LEU A 90 -31.350 15.997 9.366 1.00 0.18 H new ATOM 0 HB3 LEU A 90 -32.969 15.360 9.580 1.00 0.18 H new ATOM 0 HG LEU A 90 -30.559 13.584 9.804 1.00 0.19 H new ATOM 0 HD11 LEU A 90 -30.615 13.947 12.288 1.00 0.23 H new ATOM 0 HD12 LEU A 90 -30.207 15.443 11.415 1.00 0.23 H new ATOM 0 HD13 LEU A 90 -31.850 15.207 12.058 1.00 0.23 H new ATOM 0 HD21 LEU A 90 -32.087 12.313 11.353 1.00 0.18 H new ATOM 0 HD22 LEU A 90 -33.342 13.547 11.093 1.00 0.18 H new ATOM 0 HD23 LEU A 90 -32.813 12.518 9.741 1.00 0.18 H new ATOM 1403 N VAL A 91 -34.181 15.052 6.794 1.00 0.15 N ATOM 1404 CA VAL A 91 -35.050 15.665 5.773 1.00 0.16 C ATOM 1405 C VAL A 91 -36.486 15.512 6.244 1.00 0.16 C ATOM 1406 O VAL A 91 -36.853 14.422 6.685 1.00 0.17 O ATOM 1407 CB VAL A 91 -34.835 14.999 4.379 1.00 0.18 C ATOM 1408 CG1 VAL A 91 -34.389 13.533 4.438 1.00 0.23 C ATOM 1409 CG2 VAL A 91 -36.058 15.032 3.446 1.00 0.23 C ATOM 0 H VAL A 91 -34.613 14.301 7.332 1.00 0.15 H new ATOM 0 HA VAL A 91 -34.806 16.720 5.651 1.00 0.16 H new ATOM 0 HB VAL A 91 -34.041 15.627 3.976 1.00 0.18 H new ATOM 0 HG11 VAL A 91 -34.263 13.150 3.425 1.00 0.23 H new ATOM 0 HG12 VAL A 91 -33.442 13.462 4.973 1.00 0.23 H new ATOM 0 HG13 VAL A 91 -35.144 12.944 4.958 1.00 0.23 H new ATOM 0 HG21 VAL A 91 -35.809 14.545 2.503 1.00 0.23 H new ATOM 0 HG22 VAL A 91 -36.889 14.507 3.917 1.00 0.23 H new ATOM 0 HG23 VAL A 91 -36.343 16.067 3.256 1.00 0.23 H new ATOM 1419 N VAL A 92 -37.300 16.549 6.091 1.00 0.16 N ATOM 1420 CA VAL A 92 -38.758 16.408 6.125 1.00 0.17 C ATOM 1421 C VAL A 92 -39.320 16.788 4.774 1.00 0.17 C ATOM 1422 O VAL A 92 -38.707 17.501 3.976 1.00 0.18 O ATOM 1423 CB VAL A 92 -39.431 17.217 7.247 1.00 0.18 C ATOM 1424 CG1 VAL A 92 -38.983 16.700 8.607 1.00 0.56 C ATOM 1425 CG2 VAL A 92 -39.159 18.716 7.128 1.00 0.65 C ATOM 0 H VAL A 92 -36.976 17.505 5.941 1.00 0.16 H new ATOM 0 HA VAL A 92 -38.980 15.365 6.349 1.00 0.17 H new ATOM 0 HB VAL A 92 -40.508 17.080 7.145 1.00 0.18 H new ATOM 0 HG11 VAL A 92 -39.466 17.280 9.394 1.00 0.56 H new ATOM 0 HG12 VAL A 92 -39.261 15.651 8.707 1.00 0.56 H new ATOM 0 HG13 VAL A 92 -37.901 16.799 8.695 1.00 0.56 H new ATOM 0 HG21 VAL A 92 -39.656 19.242 7.943 1.00 0.65 H new ATOM 0 HG22 VAL A 92 -38.085 18.896 7.181 1.00 0.65 H new ATOM 0 HG23 VAL A 92 -39.541 19.081 6.175 1.00 0.65 H new ATOM 1435 N ASN A 93 -40.527 16.311 4.546 1.00 0.20 N ATOM 1436 CA ASN A 93 -41.304 16.517 3.378 1.00 0.21 C ATOM 1437 C ASN A 93 -42.714 16.851 3.807 1.00 0.22 C ATOM 1438 O ASN A 93 -43.338 16.271 4.634 1.00 0.34 O ATOM 1439 CB ASN A 93 -41.372 15.212 2.481 1.00 0.30 C ATOM 1440 CG ASN A 93 -41.383 13.900 3.279 1.00 1.07 C ATOM 1441 OD1 ASN A 93 -42.137 13.643 4.204 1.00 1.89 O ATOM 1442 ND2 ASN A 93 -40.532 12.928 2.821 1.00 1.06 N ATOM 0 H ASN A 93 -41.009 15.730 5.232 1.00 0.20 H new ATOM 0 HA ASN A 93 -40.846 17.318 2.798 1.00 0.21 H new ATOM 0 HB2 ASN A 93 -42.269 15.256 1.863 1.00 0.30 H new ATOM 0 HB3 ASN A 93 -40.518 15.205 1.804 1.00 0.30 H new ATOM 0 HD21 ASN A 93 -40.534 12.004 3.252 1.00 1.06 H new ATOM 0 HD22 ASN A 93 -39.897 13.129 2.049 1.00 1.06 H new ATOM 1449 N PHE A 94 -43.282 17.887 3.188 1.00 0.17 N ATOM 1450 CA PHE A 94 -44.688 18.315 3.271 1.00 0.19 C ATOM 1451 C PHE A 94 -45.164 18.739 1.864 1.00 0.22 C ATOM 1452 O PHE A 94 -44.305 18.983 1.014 1.00 0.26 O ATOM 1453 CB PHE A 94 -44.850 19.494 4.251 1.00 0.20 C ATOM 1454 CG PHE A 94 -44.544 19.268 5.719 1.00 0.19 C ATOM 1455 CD1 PHE A 94 -43.223 19.391 6.188 1.00 0.17 C ATOM 1456 CD2 PHE A 94 -45.591 19.085 6.643 1.00 0.21 C ATOM 1457 CE1 PHE A 94 -42.953 19.372 7.568 1.00 0.17 C ATOM 1458 CE2 PHE A 94 -45.322 19.052 8.024 1.00 0.21 C ATOM 1459 CZ PHE A 94 -44.004 19.215 8.486 1.00 0.20 C ATOM 0 H PHE A 94 -42.739 18.493 2.573 1.00 0.17 H new ATOM 0 HA PHE A 94 -45.290 17.484 3.639 1.00 0.19 H new ATOM 0 HB2 PHE A 94 -44.211 20.305 3.901 1.00 0.20 H new ATOM 0 HB3 PHE A 94 -45.879 19.845 4.178 1.00 0.20 H new ATOM 0 HD1 PHE A 94 -42.412 19.501 5.484 1.00 0.17 H new ATOM 0 HD2 PHE A 94 -46.605 18.969 6.290 1.00 0.21 H new ATOM 0 HE1 PHE A 94 -41.938 19.478 7.922 1.00 0.17 H new ATOM 0 HE2 PHE A 94 -46.127 18.902 8.728 1.00 0.21 H new ATOM 0 HZ PHE A 94 -43.800 19.219 9.547 1.00 0.20 H new ATOM 1469 N PRO A 95 -46.464 19.036 1.635 1.00 0.25 N ATOM 1470 CA PRO A 95 -46.897 19.526 0.319 1.00 0.29 C ATOM 1471 C PRO A 95 -46.350 20.916 -0.036 1.00 0.30 C ATOM 1472 O PRO A 95 -46.369 21.319 -1.190 1.00 0.46 O ATOM 1473 CB PRO A 95 -48.428 19.552 0.375 1.00 0.38 C ATOM 1474 CG PRO A 95 -48.756 18.481 1.411 1.00 0.44 C ATOM 1475 CD PRO A 95 -47.618 18.623 2.421 1.00 0.32 C ATOM 0 HA PRO A 95 -46.509 18.871 -0.461 1.00 0.29 H new ATOM 0 HB2 PRO A 95 -48.804 20.530 0.674 1.00 0.38 H new ATOM 0 HB3 PRO A 95 -48.871 19.324 -0.595 1.00 0.38 H new ATOM 0 HG2 PRO A 95 -49.729 18.650 1.872 1.00 0.44 H new ATOM 0 HG3 PRO A 95 -48.781 17.485 0.968 1.00 0.44 H new ATOM 0 HD2 PRO A 95 -47.859 19.361 3.186 1.00 0.32 H new ATOM 0 HD3 PRO A 95 -47.428 17.681 2.936 1.00 0.32 H new ATOM 1483 N ASN A 96 -45.925 21.669 0.981 1.00 0.33 N ATOM 1484 CA ASN A 96 -45.313 22.990 0.867 1.00 0.45 C ATOM 1485 C ASN A 96 -43.845 23.002 1.340 1.00 0.50 C ATOM 1486 O ASN A 96 -42.972 23.412 0.582 1.00 0.90 O ATOM 1487 CB ASN A 96 -46.227 24.008 1.579 1.00 0.63 C ATOM 1488 CG ASN A 96 -45.504 25.269 2.006 1.00 0.86 C ATOM 1489 OD1 ASN A 96 -44.971 25.326 3.096 1.00 1.89 O ATOM 1490 ND2 ASN A 96 -45.576 26.332 1.238 1.00 0.77 N ATOM 0 H ASN A 96 -46.003 21.358 1.949 1.00 0.33 H new ATOM 0 HA ASN A 96 -45.239 23.283 -0.180 1.00 0.45 H new ATOM 0 HB2 ASN A 96 -47.048 24.276 0.914 1.00 0.63 H new ATOM 0 HB3 ASN A 96 -46.669 23.537 2.457 1.00 0.63 H new ATOM 0 HD21 ASN A 96 -45.182 27.218 1.555 1.00 0.77 H new ATOM 0 HD22 ASN A 96 -46.026 26.272 0.325 1.00 0.77 H new ATOM 1497 N TYR A 97 -43.571 22.539 2.563 1.00 0.26 N ATOM 1498 CA TYR A 97 -42.250 22.642 3.192 1.00 0.23 C ATOM 1499 C TYR A 97 -41.319 21.432 2.930 1.00 0.20 C ATOM 1500 O TYR A 97 -41.764 20.283 2.974 1.00 0.22 O ATOM 1501 CB TYR A 97 -42.398 22.926 4.659 1.00 0.00 C ATOM 1502 CG TYR A 97 -41.040 23.252 5.235 1.00 0.00 C ATOM 1503 CD1 TYR A 97 -40.528 24.550 5.131 1.00 0.00 C ATOM 1504 CD2 TYR A 97 -40.293 22.254 5.873 1.00 0.00 C ATOM 1505 CE1 TYR A 97 -39.269 24.852 5.665 1.00 0.00 C ATOM 1506 CE2 TYR A 97 -39.035 22.554 6.407 1.00 0.00 C ATOM 1507 CZ TYR A 97 -38.522 23.853 6.303 1.00 0.00 C ATOM 1508 OH TYR A 97 -37.299 24.146 6.821 1.00 0.00 O ATOM 0 H TYR A 97 -44.266 22.078 3.150 1.00 0.26 H new ATOM 0 HA TYR A 97 -41.746 23.481 2.712 1.00 0.23 H new ATOM 0 HB2 TYR A 97 -43.083 23.760 4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -42.826 22.063 5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -41.104 25.319 4.639 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -40.688 21.252 5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -38.874 25.854 5.585 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -38.460 21.784 6.899 1.00 0.00 H new ATOM 0 HH TYR A 97 -36.634 24.162 6.101 1.00 0.00 H new ATOM 1518 N HIS A 98 -40.003 21.644 2.818 1.00 0.18 N ATOM 1519 CA HIS A 98 -38.982 20.580 2.722 1.00 0.18 C ATOM 1520 C HIS A 98 -37.665 21.009 3.387 1.00 0.19 C ATOM 1521 O HIS A 98 -37.282 22.166 3.263 1.00 0.18 O ATOM 1522 CB HIS A 98 -38.753 20.255 1.235 1.00 0.21 C ATOM 1523 CG HIS A 98 -38.143 18.900 0.990 1.00 0.25 C ATOM 1524 ND1 HIS A 98 -38.844 17.739 0.723 1.00 0.31 N ATOM 1525 CD2 HIS A 98 -36.808 18.587 0.990 1.00 0.27 C ATOM 1526 CE1 HIS A 98 -37.954 16.736 0.573 1.00 0.36 C ATOM 1527 NE2 HIS A 98 -36.709 17.232 0.740 1.00 0.34 N ATOM 0 H HIS A 98 -39.602 22.582 2.790 1.00 0.18 H new ATOM 0 HA HIS A 98 -39.336 19.694 3.249 1.00 0.18 H new ATOM 0 HB2 HIS A 98 -39.707 20.313 0.710 1.00 0.21 H new ATOM 0 HB3 HIS A 98 -38.105 21.017 0.803 1.00 0.21 H new ATOM 0 HD2 HIS A 98 -35.988 19.271 1.154 1.00 0.27 H new ATOM 0 HE1 HIS A 98 -38.197 15.706 0.355 1.00 0.36 H new ATOM 0 HE2 HIS A 98 -35.842 16.697 0.690 1.00 0.34 H new ATOM 1535 N GLN A 99 -36.855 20.067 3.893 1.00 0.22 N ATOM 1536 CA GLN A 99 -35.455 20.307 4.336 1.00 0.29 C ATOM 1537 C GLN A 99 -34.532 19.157 3.894 1.00 0.20 C ATOM 1538 O GLN A 99 -35.043 18.071 3.628 1.00 0.26 O ATOM 1539 CB GLN A 99 -35.374 20.479 5.872 1.00 0.55 C ATOM 1540 CG GLN A 99 -34.311 21.523 6.284 1.00 0.55 C ATOM 1541 CD GLN A 99 -33.404 21.145 7.443 1.00 0.64 C ATOM 1542 OE1 GLN A 99 -32.619 20.112 7.255 1.00 1.48 O flip ATOM 1543 NE2 GLN A 99 -33.663 21.449 8.598 1.00 0.42 N flip ATOM 0 H GLN A 99 -37.150 19.098 4.012 1.00 0.22 H new ATOM 0 HA GLN A 99 -35.120 21.231 3.864 1.00 0.29 H new ATOM 0 HB2 GLN A 99 -36.348 20.784 6.254 1.00 0.55 H new ATOM 0 HB3 GLN A 99 -35.137 19.520 6.332 1.00 0.55 H new ATOM 0 HG2 GLN A 99 -33.686 21.734 5.416 1.00 0.55 H new ATOM 0 HG3 GLN A 99 -34.824 22.450 6.540 1.00 0.55 H new ATOM 0 HE21 GLN A 99 -34.270 22.246 8.792 1.00 0.42 H new ATOM 0 HE22 GLN A 99 -33.272 20.906 9.368 1.00 0.42 H new ATOM 1552 N THR A 100 -33.202 19.323 3.915 1.00 0.22 N ATOM 1553 CA THR A 100 -32.163 18.370 3.669 1.00 0.21 C ATOM 1554 C THR A 100 -30.877 18.920 4.266 1.00 0.24 C ATOM 1555 O THR A 100 -30.718 20.139 4.473 1.00 0.40 O ATOM 1556 CB THR A 100 -31.940 18.182 2.178 1.00 0.22 C ATOM 1557 OG1 THR A 100 -32.298 19.334 1.392 1.00 0.26 O ATOM 1558 CG2 THR A 100 -32.687 16.957 1.688 1.00 0.21 C ATOM 0 H THR A 100 -32.807 20.238 4.131 1.00 0.22 H new ATOM 0 HA THR A 100 -32.445 17.414 4.110 1.00 0.21 H new ATOM 0 HB THR A 100 -30.868 18.042 2.042 1.00 0.22 H new ATOM 0 HG1 THR A 100 -32.182 20.145 1.929 1.00 0.26 H new ATOM 0 HG21 THR A 100 -32.520 16.833 0.618 1.00 0.21 H new ATOM 0 HG22 THR A 100 -32.326 16.075 2.217 1.00 0.21 H new ATOM 0 HG23 THR A 100 -33.753 17.082 1.876 1.00 0.21 H new ATOM 1566 N SER A 101 -29.957 18.090 4.763 1.00 0.21 N ATOM 1567 CA SER A 101 -28.945 18.594 5.716 1.00 0.27 C ATOM 1568 C SER A 101 -27.786 17.643 5.971 1.00 0.27 C ATOM 1569 O SER A 101 -28.021 16.591 6.558 1.00 0.46 O ATOM 1570 CB SER A 101 -29.646 18.836 7.057 1.00 0.42 C ATOM 1571 OG SER A 101 -29.689 20.210 7.362 1.00 1.24 O ATOM 0 H SER A 101 -29.884 17.098 4.537 1.00 0.21 H new ATOM 0 HA SER A 101 -28.522 19.495 5.272 1.00 0.27 H new ATOM 0 HB2 SER A 101 -30.659 18.436 7.019 1.00 0.42 H new ATOM 0 HB3 SER A 101 -29.121 18.300 7.848 1.00 0.42 H new ATOM 0 HG SER A 101 -30.622 20.504 7.415 1.00 1.24 H new ATOM 1577 N GLU A 102 -26.541 18.103 5.810 1.00 0.22 N ATOM 1578 CA GLU A 102 -25.379 17.206 5.945 1.00 0.27 C ATOM 1579 C GLU A 102 -24.047 17.891 6.294 1.00 0.20 C ATOM 1580 O GLU A 102 -23.907 19.110 6.304 1.00 0.20 O ATOM 1581 CB GLU A 102 -25.256 16.261 4.730 1.00 0.43 C ATOM 1582 CG GLU A 102 -25.385 16.887 3.328 1.00 0.81 C ATOM 1583 CD GLU A 102 -26.522 16.211 2.533 1.00 1.25 C ATOM 1584 OE1 GLU A 102 -26.298 15.065 2.059 1.00 1.67 O ATOM 1585 OE2 GLU A 102 -27.679 16.665 2.664 1.00 1.55 O ATOM 0 H GLU A 102 -26.310 19.072 5.590 1.00 0.22 H new ATOM 0 HA GLU A 102 -25.593 16.606 6.830 1.00 0.27 H new ATOM 0 HB2 GLU A 102 -24.289 15.762 4.788 1.00 0.43 H new ATOM 0 HB3 GLU A 102 -26.019 15.489 4.825 1.00 0.43 H new ATOM 0 HG2 GLU A 102 -25.582 17.955 3.418 1.00 0.81 H new ATOM 0 HG3 GLU A 102 -24.444 16.781 2.789 1.00 0.81 H new ATOM 1592 N ILE A 103 -23.096 17.087 6.785 1.00 0.19 N ATOM 1593 CA ILE A 103 -21.730 17.522 7.108 1.00 0.21 C ATOM 1594 C ILE A 103 -20.857 17.251 5.894 1.00 0.26 C ATOM 1595 O ILE A 103 -20.807 16.104 5.455 1.00 0.28 O ATOM 1596 CB ILE A 103 -21.188 16.791 8.360 1.00 0.23 C ATOM 1597 CG1 ILE A 103 -22.105 17.126 9.547 1.00 0.22 C ATOM 1598 CG2 ILE A 103 -19.721 17.172 8.647 1.00 0.27 C ATOM 1599 CD1 ILE A 103 -21.703 16.562 10.916 1.00 0.21 C ATOM 0 H ILE A 103 -23.257 16.097 6.973 1.00 0.19 H new ATOM 0 HA ILE A 103 -21.724 18.586 7.344 1.00 0.21 H new ATOM 0 HB ILE A 103 -21.193 15.715 8.188 1.00 0.23 H new ATOM 0 HG12 ILE A 103 -22.167 18.211 9.632 1.00 0.22 H new ATOM 0 HG13 ILE A 103 -23.107 16.767 9.313 1.00 0.22 H new ATOM 0 HG21 ILE A 103 -19.374 16.640 9.533 1.00 0.27 H new ATOM 0 HG22 ILE A 103 -19.101 16.899 7.793 1.00 0.27 H new ATOM 0 HG23 ILE A 103 -19.651 18.246 8.818 1.00 0.27 H new ATOM 0 HD11 ILE A 103 -22.432 16.871 11.665 1.00 0.21 H new ATOM 0 HD12 ILE A 103 -21.673 15.474 10.867 1.00 0.21 H new ATOM 0 HD13 ILE A 103 -20.718 16.940 11.190 1.00 0.21 H new ATOM 1611 N VAL A 104 -19.991 18.194 5.520 1.00 0.32 N ATOM 1612 CA VAL A 104 -18.900 17.873 4.557 1.00 0.41 C ATOM 1613 C VAL A 104 -17.612 18.334 5.270 1.00 0.48 C ATOM 1614 O VAL A 104 -17.311 19.529 5.480 1.00 0.47 O ATOM 1615 CB VAL A 104 -19.144 18.639 3.266 1.00 0.47 C ATOM 1616 CG1 VAL A 104 -18.157 18.237 2.202 1.00 0.60 C ATOM 1617 CG2 VAL A 104 -20.597 18.540 2.798 1.00 0.45 C ATOM 0 H VAL A 104 -20.008 19.160 5.848 1.00 0.32 H new ATOM 0 HA VAL A 104 -18.840 16.818 4.288 1.00 0.41 H new ATOM 0 HB VAL A 104 -18.974 19.696 3.473 1.00 0.47 H new ATOM 0 HG11 VAL A 104 -18.355 18.800 1.290 1.00 0.60 H new ATOM 0 HG12 VAL A 104 -17.145 18.448 2.546 1.00 0.60 H new ATOM 0 HG13 VAL A 104 -18.256 17.171 1.998 1.00 0.60 H new ATOM 0 HG21 VAL A 104 -20.720 19.103 1.873 1.00 0.45 H new ATOM 0 HG22 VAL A 104 -20.853 17.495 2.624 1.00 0.45 H new ATOM 0 HG23 VAL A 104 -21.255 18.951 3.564 1.00 0.45 H new ATOM 1627 N GLY A 105 -16.821 17.306 5.725 1.00 0.56 N ATOM 1628 CA GLY A 105 -15.516 17.393 6.482 1.00 0.63 C ATOM 1629 C GLY A 105 -15.767 18.106 7.801 1.00 0.59 C ATOM 1630 O GLY A 105 -16.441 17.616 8.745 1.00 0.68 O ATOM 0 H GLY A 105 -17.091 16.335 5.565 1.00 0.56 H new ATOM 0 HA2 GLY A 105 -15.116 16.395 6.662 1.00 0.63 H new ATOM 0 HA3 GLY A 105 -14.773 17.934 5.895 1.00 0.63 H new ATOM 1634 N ASP A 106 -15.140 19.276 7.962 1.00 0.52 N ATOM 1635 CA ASP A 106 -15.324 20.165 9.127 1.00 0.50 C ATOM 1636 C ASP A 106 -16.493 21.160 9.064 1.00 0.40 C ATOM 1637 O ASP A 106 -16.618 22.024 9.943 1.00 0.44 O ATOM 1638 CB ASP A 106 -13.989 20.811 9.556 1.00 0.58 C ATOM 1639 CG ASP A 106 -13.271 19.986 10.627 1.00 1.53 C ATOM 1640 OD1 ASP A 106 -12.612 18.956 10.379 1.00 2.30 O ATOM 1641 OD2 ASP A 106 -13.398 20.431 11.789 1.00 2.11 O ATOM 0 H ASP A 106 -14.478 19.643 7.278 1.00 0.52 H new ATOM 0 HA ASP A 106 -15.653 19.496 9.922 1.00 0.50 H new ATOM 0 HB2 ASP A 106 -13.341 20.917 8.686 1.00 0.58 H new ATOM 0 HB3 ASP A 106 -14.178 21.814 9.937 1.00 0.58 H new ATOM 1646 N LYS A 107 -17.157 21.276 7.905 1.00 0.32 N ATOM 1647 CA LYS A 107 -18.151 22.329 7.596 1.00 0.25 C ATOM 1648 C LYS A 107 -19.535 21.700 7.461 1.00 0.23 C ATOM 1649 O LYS A 107 -19.631 20.513 7.157 1.00 0.30 O ATOM 1650 CB LYS A 107 -17.767 23.096 6.316 1.00 0.28 C ATOM 1651 CG LYS A 107 -16.292 23.529 6.230 1.00 0.47 C ATOM 1652 CD LYS A 107 -15.817 24.380 7.418 1.00 1.21 C ATOM 1653 CE LYS A 107 -14.285 24.433 7.435 1.00 1.65 C ATOM 1654 NZ LYS A 107 -13.766 24.791 8.776 1.00 2.27 N ATOM 0 H LYS A 107 -17.018 20.625 7.132 1.00 0.32 H new ATOM 0 HA LYS A 107 -18.167 23.049 8.414 1.00 0.25 H new ATOM 0 HB2 LYS A 107 -17.996 22.470 5.454 1.00 0.28 H new ATOM 0 HB3 LYS A 107 -18.395 23.984 6.241 1.00 0.28 H new ATOM 0 HG2 LYS A 107 -15.667 22.639 6.162 1.00 0.47 H new ATOM 0 HG3 LYS A 107 -16.144 24.094 5.310 1.00 0.47 H new ATOM 0 HD2 LYS A 107 -16.225 25.388 7.342 1.00 1.21 H new ATOM 0 HD3 LYS A 107 -16.186 23.957 8.352 1.00 1.21 H new ATOM 0 HE2 LYS A 107 -13.884 23.465 7.136 1.00 1.65 H new ATOM 0 HE3 LYS A 107 -13.938 25.162 6.703 1.00 1.65 H new ATOM 0 HZ1 LYS A 107 -12.727 24.817 8.750 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 -14.129 25.726 9.051 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 -14.077 24.081 9.470 1.00 2.27 H new ATOM 1668 N LEU A 108 -20.603 22.435 7.774 1.00 0.20 N ATOM 1669 CA LEU A 108 -21.935 21.806 7.927 1.00 0.19 C ATOM 1670 C LEU A 108 -23.027 22.566 7.198 1.00 0.20 C ATOM 1671 O LEU A 108 -23.221 23.764 7.446 1.00 0.24 O ATOM 1672 CB LEU A 108 -22.194 21.769 9.507 1.00 0.22 C ATOM 1673 CG LEU A 108 -21.193 20.864 10.366 1.00 0.29 C ATOM 1674 CD1 LEU A 108 -20.027 21.614 11.042 1.00 0.57 C ATOM 1675 CD2 LEU A 108 -21.992 20.217 11.467 1.00 0.60 C ATOM 0 H LEU A 108 -20.585 23.444 7.925 1.00 0.20 H new ATOM 0 HA LEU A 108 -21.955 20.811 7.483 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -22.144 22.790 9.886 1.00 0.22 H new ATOM 0 HB3 LEU A 108 -23.210 21.414 9.679 1.00 0.22 H new ATOM 0 HG LEU A 108 -20.745 20.167 9.658 1.00 0.29 H new ATOM 0 HD11 LEU A 108 -19.412 20.906 11.597 1.00 0.57 H new ATOM 0 HD12 LEU A 108 -19.419 22.104 10.281 1.00 0.57 H new ATOM 0 HD13 LEU A 108 -20.425 22.364 11.726 1.00 0.57 H new ATOM 0 HD21 LEU A 108 -21.337 19.591 12.073 1.00 0.60 H new ATOM 0 HD22 LEU A 108 -22.438 20.989 12.094 1.00 0.60 H new ATOM 0 HD23 LEU A 108 -22.780 19.602 11.032 1.00 0.60 H new ATOM 1687 N VAL A 109 -23.826 21.917 6.297 1.00 0.20 N ATOM 1688 CA VAL A 109 -24.538 22.648 5.221 1.00 0.22 C ATOM 1689 C VAL A 109 -26.043 22.171 5.244 1.00 0.22 C ATOM 1690 O VAL A 109 -26.336 21.022 5.074 1.00 0.29 O ATOM 1691 CB VAL A 109 -23.979 22.314 3.751 1.00 0.26 C ATOM 1692 CG1 VAL A 109 -24.687 23.230 2.755 1.00 0.80 C ATOM 1693 CG2 VAL A 109 -22.486 22.579 3.730 1.00 0.87 C ATOM 0 H VAL A 109 -23.986 20.910 6.300 1.00 0.20 H new ATOM 0 HA VAL A 109 -24.405 23.714 5.406 1.00 0.22 H new ATOM 0 HB VAL A 109 -24.163 21.272 3.488 1.00 0.26 H new ATOM 0 HG11 VAL A 109 -24.324 23.022 1.748 1.00 0.80 H new ATOM 0 HG12 VAL A 109 -25.762 23.052 2.797 1.00 0.80 H new ATOM 0 HG13 VAL A 109 -24.481 24.270 3.007 1.00 0.80 H new ATOM 0 HG21 VAL A 109 -22.091 22.357 2.739 1.00 0.87 H new ATOM 0 HG22 VAL A 109 -22.299 23.626 3.969 1.00 0.87 H new ATOM 0 HG23 VAL A 109 -21.994 21.945 4.467 1.00 0.87 H new ATOM 1703 N GLU A 110 -26.983 23.171 5.336 1.00 0.22 N ATOM 1704 CA GLU A 110 -28.358 22.915 5.309 1.00 0.25 C ATOM 1705 C GLU A 110 -28.938 23.514 3.970 1.00 0.28 C ATOM 1706 O GLU A 110 -28.565 24.644 3.589 1.00 0.52 O ATOM 1707 CB GLU A 110 -29.112 23.357 6.560 1.00 0.38 C ATOM 1708 CG GLU A 110 -30.659 23.083 6.510 1.00 0.52 C ATOM 1709 CD GLU A 110 -31.536 24.232 6.166 1.00 1.43 C ATOM 1710 OE1 GLU A 110 -31.043 25.372 5.888 1.00 2.06 O ATOM 1711 OE2 GLU A 110 -32.754 24.130 6.471 1.00 2.07 O ATOM 0 H GLU A 110 -26.747 24.159 5.429 1.00 0.22 H new ATOM 0 HA GLU A 110 -28.511 21.836 5.321 1.00 0.25 H new ATOM 0 HB2 GLU A 110 -28.691 22.844 7.425 1.00 0.38 H new ATOM 0 HB3 GLU A 110 -28.948 24.424 6.712 1.00 0.38 H new ATOM 0 HG2 GLU A 110 -30.839 22.290 5.784 1.00 0.52 H new ATOM 0 HG3 GLU A 110 -30.967 22.701 7.483 1.00 0.52 H new ATOM 1718 N VAL A 111 -29.797 22.770 3.282 1.00 0.23 N ATOM 1719 CA VAL A 111 -30.471 23.203 2.033 1.00 0.21 C ATOM 1720 C VAL A 111 -31.889 22.760 2.152 1.00 0.20 C ATOM 1721 O VAL A 111 -32.234 21.732 2.669 1.00 0.24 O ATOM 1722 CB VAL A 111 -29.673 22.608 0.829 1.00 0.24 C ATOM 1723 CG1 VAL A 111 -29.665 21.025 0.809 1.00 0.27 C ATOM 1724 CG2 VAL A 111 -30.176 23.283 -0.426 1.00 0.25 C ATOM 0 H VAL A 111 -30.059 21.828 3.571 1.00 0.23 H new ATOM 0 HA VAL A 111 -30.486 24.280 1.865 1.00 0.21 H new ATOM 0 HB VAL A 111 -28.609 22.827 0.921 1.00 0.24 H new ATOM 0 HG11 VAL A 111 -29.095 20.675 -0.051 1.00 0.27 H new ATOM 0 HG12 VAL A 111 -29.206 20.652 1.725 1.00 0.27 H new ATOM 0 HG13 VAL A 111 -30.689 20.657 0.740 1.00 0.27 H new ATOM 0 HG21 VAL A 111 -29.639 22.891 -1.290 1.00 0.25 H new ATOM 0 HG22 VAL A 111 -31.242 23.088 -0.542 1.00 0.25 H new ATOM 0 HG23 VAL A 111 -30.010 24.358 -0.353 1.00 0.25 H new ATOM 1734 N SER A 112 -32.787 23.674 1.794 1.00 0.19 N ATOM 1735 CA SER A 112 -34.140 23.778 2.360 1.00 0.20 C ATOM 1736 C SER A 112 -35.090 24.359 1.300 1.00 0.17 C ATOM 1737 O SER A 112 -34.613 25.141 0.486 1.00 0.17 O ATOM 1738 CB SER A 112 -34.022 24.702 3.585 1.00 0.27 C ATOM 1739 OG SER A 112 -34.778 24.240 4.684 1.00 0.87 O ATOM 0 H SER A 112 -32.595 24.382 1.086 1.00 0.19 H new ATOM 0 HA SER A 112 -34.544 22.810 2.657 1.00 0.20 H new ATOM 0 HB2 SER A 112 -32.975 24.782 3.876 1.00 0.27 H new ATOM 0 HB3 SER A 112 -34.355 25.704 3.314 1.00 0.27 H new ATOM 0 HG SER A 112 -34.210 24.208 5.482 1.00 0.87 H new ATOM 1745 N THR A 113 -36.353 23.904 1.158 1.00 0.17 N ATOM 1746 CA THR A 113 -37.174 24.273 0.020 1.00 0.15 C ATOM 1747 C THR A 113 -38.559 24.552 0.455 1.00 0.13 C ATOM 1748 O THR A 113 -39.153 23.721 1.112 1.00 0.14 O ATOM 1749 CB THR A 113 -37.196 23.230 -1.111 1.00 0.19 C ATOM 1750 OG1 THR A 113 -35.936 22.597 -1.241 1.00 0.26 O ATOM 1751 CG2 THR A 113 -37.527 23.857 -2.503 1.00 0.17 C ATOM 0 H THR A 113 -36.812 23.282 1.824 1.00 0.17 H new ATOM 0 HA THR A 113 -36.710 25.168 -0.394 1.00 0.15 H new ATOM 0 HB THR A 113 -37.974 22.519 -0.832 1.00 0.19 H new ATOM 0 HG1 THR A 113 -35.974 21.937 -1.965 1.00 0.26 H new ATOM 0 HG21 THR A 113 -37.529 23.076 -3.263 1.00 0.17 H new ATOM 0 HG22 THR A 113 -38.509 24.329 -2.465 1.00 0.17 H new ATOM 0 HG23 THR A 113 -36.774 24.605 -2.753 1.00 0.17 H new ATOM 1759 N ILE A 114 -39.164 25.672 0.056 1.00 0.12 N ATOM 1760 CA ILE A 114 -40.584 25.942 0.342 1.00 0.12 C ATOM 1761 C ILE A 114 -41.307 26.315 -0.926 1.00 0.14 C ATOM 1762 O ILE A 114 -40.979 27.297 -1.571 1.00 0.15 O ATOM 1763 CB ILE A 114 -40.825 26.990 1.447 1.00 0.14 C ATOM 1764 CG1 ILE A 114 -40.270 26.461 2.772 1.00 0.17 C ATOM 1765 CG2 ILE A 114 -42.345 27.219 1.596 1.00 0.16 C ATOM 1766 CD1 ILE A 114 -40.257 27.509 3.886 1.00 0.27 C ATOM 0 H ILE A 114 -38.696 26.412 -0.468 1.00 0.12 H new ATOM 0 HA ILE A 114 -40.993 25.013 0.740 1.00 0.12 H new ATOM 0 HB ILE A 114 -40.329 27.925 1.185 1.00 0.14 H new ATOM 0 HG12 ILE A 114 -40.867 25.608 3.093 1.00 0.17 H new ATOM 0 HG13 ILE A 114 -39.255 26.098 2.613 1.00 0.17 H new ATOM 0 HG21 ILE A 114 -42.527 27.959 2.375 1.00 0.16 H new ATOM 0 HG22 ILE A 114 -42.753 27.579 0.652 1.00 0.16 H new ATOM 0 HG23 ILE A 114 -42.830 26.281 1.866 1.00 0.16 H new ATOM 0 HD11 ILE A 114 -39.852 27.067 4.796 1.00 0.27 H new ATOM 0 HD12 ILE A 114 -39.636 28.353 3.585 1.00 0.27 H new ATOM 0 HD13 ILE A 114 -41.274 27.855 4.072 1.00 0.27 H new ATOM 1778 N GLY A 115 -42.269 25.507 -1.338 1.00 0.16 N ATOM 1779 CA GLY A 115 -43.050 25.826 -2.536 1.00 0.19 C ATOM 1780 C GLY A 115 -42.197 25.921 -3.805 1.00 0.21 C ATOM 1781 O GLY A 115 -42.593 26.593 -4.747 1.00 0.29 O ATOM 0 H GLY A 115 -42.530 24.637 -0.874 1.00 0.16 H new ATOM 0 HA2 GLY A 115 -43.815 25.063 -2.677 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -43.568 26.773 -2.383 1.00 0.19 H new ATOM 1785 N GLY A 116 -41.011 25.294 -3.807 1.00 0.17 N ATOM 1786 CA GLY A 116 -40.066 25.319 -4.972 1.00 0.19 C ATOM 1787 C GLY A 116 -38.988 26.372 -4.966 1.00 0.18 C ATOM 1788 O GLY A 116 -38.325 26.450 -6.000 1.00 0.21 O ATOM 0 H GLY A 116 -40.666 24.754 -3.014 1.00 0.17 H new ATOM 0 HA2 GLY A 116 -39.584 24.343 -5.036 1.00 0.19 H new ATOM 0 HA3 GLY A 116 -40.655 25.444 -5.881 1.00 0.19 H new ATOM 1792 N VAL A 117 -38.854 27.057 -3.850 1.00 0.15 N ATOM 1793 CA VAL A 117 -37.806 28.048 -3.757 1.00 0.15 C ATOM 1794 C VAL A 117 -36.820 27.504 -2.738 1.00 0.14 C ATOM 1795 O VAL A 117 -37.177 27.125 -1.623 1.00 0.17 O ATOM 1796 CB VAL A 117 -38.267 29.455 -3.447 1.00 0.14 C ATOM 1797 CG1 VAL A 117 -38.711 29.663 -1.966 1.00 0.14 C ATOM 1798 CG2 VAL A 117 -37.044 30.328 -3.754 1.00 0.16 C ATOM 0 H VAL A 117 -39.437 26.951 -3.020 1.00 0.15 H new ATOM 0 HA VAL A 117 -37.347 28.185 -4.736 1.00 0.15 H new ATOM 0 HB VAL A 117 -39.151 29.701 -4.035 1.00 0.14 H new ATOM 0 HG11 VAL A 117 -39.027 30.696 -1.823 1.00 0.14 H new ATOM 0 HG12 VAL A 117 -39.541 28.994 -1.738 1.00 0.14 H new ATOM 0 HG13 VAL A 117 -37.875 29.444 -1.301 1.00 0.14 H new ATOM 0 HG21 VAL A 117 -37.284 31.373 -3.558 1.00 0.16 H new ATOM 0 HG22 VAL A 117 -36.211 30.022 -3.121 1.00 0.16 H new ATOM 0 HG23 VAL A 117 -36.767 30.210 -4.802 1.00 0.16 H new ATOM 1808 N THR A 118 -35.529 27.495 -3.090 1.00 0.13 N ATOM 1809 CA THR A 118 -34.396 27.034 -2.256 1.00 0.14 C ATOM 1810 C THR A 118 -33.828 28.024 -1.230 1.00 0.18 C ATOM 1811 O THR A 118 -33.646 29.196 -1.552 1.00 0.26 O ATOM 1812 CB THR A 118 -33.268 26.379 -3.079 1.00 0.20 C ATOM 1813 OG1 THR A 118 -33.782 25.869 -4.295 1.00 0.26 O ATOM 1814 CG2 THR A 118 -32.547 25.236 -2.352 1.00 0.27 C ATOM 0 H THR A 118 -35.224 27.823 -4.006 1.00 0.13 H new ATOM 0 HA THR A 118 -34.877 26.272 -1.642 1.00 0.14 H new ATOM 0 HB THR A 118 -32.540 27.172 -3.252 1.00 0.20 H new ATOM 0 HG1 THR A 118 -33.057 25.457 -4.810 1.00 0.26 H new ATOM 0 HG21 THR A 118 -31.769 24.828 -2.997 1.00 0.27 H new ATOM 0 HG22 THR A 118 -32.097 25.615 -1.435 1.00 0.27 H new ATOM 0 HG23 THR A 118 -33.263 24.451 -2.107 1.00 0.27 H new ATOM 1822 N TYR A 119 -33.310 27.509 -0.111 1.00 0.18 N ATOM 1823 CA TYR A 119 -32.498 28.195 0.893 1.00 0.24 C ATOM 1824 C TYR A 119 -31.269 27.374 1.281 1.00 0.23 C ATOM 1825 O TYR A 119 -31.362 26.151 1.214 1.00 0.29 O ATOM 1826 CB TYR A 119 -33.382 28.667 2.061 1.00 0.43 C ATOM 1827 CG TYR A 119 -32.699 29.079 3.351 1.00 0.31 C ATOM 1828 CD1 TYR A 119 -32.093 28.112 4.166 1.00 0.44 C ATOM 1829 CD2 TYR A 119 -32.723 30.423 3.778 1.00 0.27 C ATOM 1830 CE1 TYR A 119 -31.478 28.490 5.368 1.00 0.51 C ATOM 1831 CE2 TYR A 119 -32.119 30.800 4.999 1.00 0.33 C ATOM 1832 CZ TYR A 119 -31.486 29.829 5.799 1.00 0.44 C ATOM 1833 OH TYR A 119 -30.924 30.164 6.994 1.00 0.60 O ATOM 0 H TYR A 119 -33.459 26.530 0.133 1.00 0.18 H new ATOM 0 HA TYR A 119 -32.075 29.105 0.469 1.00 0.24 H new ATOM 0 HB2 TYR A 119 -33.973 29.513 1.711 1.00 0.43 H new ATOM 0 HB3 TYR A 119 -34.082 27.865 2.295 1.00 0.43 H new ATOM 0 HD1 TYR A 119 -32.100 27.074 3.867 1.00 0.44 H new ATOM 0 HD2 TYR A 119 -33.207 31.170 3.167 1.00 0.27 H new ATOM 0 HE1 TYR A 119 -30.990 27.740 5.973 1.00 0.51 H new ATOM 0 HE2 TYR A 119 -32.143 31.831 5.318 1.00 0.33 H new ATOM 0 HH TYR A 119 -31.014 31.129 7.139 1.00 0.60 H new ATOM 1843 N GLU A 120 -30.122 27.995 1.572 1.00 0.33 N ATOM 1844 CA GLU A 120 -28.911 27.286 1.819 1.00 0.38 C ATOM 1845 C GLU A 120 -28.175 28.037 2.987 1.00 0.55 C ATOM 1846 O GLU A 120 -28.133 29.307 3.059 1.00 0.78 O ATOM 1847 CB GLU A 120 -28.035 27.178 0.538 1.00 0.46 C ATOM 1848 CG GLU A 120 -26.931 26.132 0.506 1.00 0.57 C ATOM 1849 CD GLU A 120 -26.040 26.093 -0.722 1.00 0.68 C ATOM 1850 OE1 GLU A 120 -25.214 27.066 -0.851 1.00 0.88 O ATOM 1851 OE2 GLU A 120 -26.158 25.156 -1.536 1.00 0.73 O ATOM 0 H GLU A 120 -30.031 29.009 1.638 1.00 0.33 H new ATOM 0 HA GLU A 120 -29.117 26.255 2.108 1.00 0.38 H new ATOM 0 HB2 GLU A 120 -28.700 26.986 -0.304 1.00 0.46 H new ATOM 0 HB3 GLU A 120 -27.576 28.152 0.366 1.00 0.46 H new ATOM 0 HG2 GLU A 120 -26.296 26.286 1.378 1.00 0.57 H new ATOM 0 HG3 GLU A 120 -27.393 25.151 0.618 1.00 0.57 H new ATOM 1858 N ARG A 121 -27.450 27.280 3.814 1.00 0.54 N ATOM 1859 CA ARG A 121 -26.620 27.823 4.900 1.00 0.74 C ATOM 1860 C ARG A 121 -25.494 26.881 5.320 1.00 0.44 C ATOM 1861 O ARG A 121 -25.627 25.670 5.210 1.00 0.31 O ATOM 1862 CB ARG A 121 -27.518 28.186 6.091 1.00 1.17 C ATOM 1863 CG ARG A 121 -28.312 26.982 6.617 1.00 2.28 C ATOM 1864 CD ARG A 121 -29.077 27.373 7.882 1.00 3.33 C ATOM 1865 NE ARG A 121 -29.610 26.465 8.786 1.00 4.09 N ATOM 1866 CZ ARG A 121 -30.825 25.943 8.907 1.00 5.25 C ATOM 1867 NH1 ARG A 121 -31.802 26.389 8.182 1.00 5.79 N ATOM 1868 NH2 ARG A 121 -31.125 25.129 9.871 1.00 6.09 N ATOM 0 H ARG A 121 -27.420 26.262 3.751 1.00 0.54 H new ATOM 0 HA ARG A 121 -26.127 28.720 4.526 1.00 0.74 H new ATOM 0 HB2 ARG A 121 -26.904 28.591 6.895 1.00 1.17 H new ATOM 0 HB3 ARG A 121 -28.212 28.972 5.793 1.00 1.17 H new ATOM 0 HG2 ARG A 121 -29.008 26.634 5.854 1.00 2.28 H new ATOM 0 HG3 ARG A 121 -27.635 26.155 6.832 1.00 2.28 H new ATOM 0 HD2 ARG A 121 -28.407 28.013 8.455 1.00 3.33 H new ATOM 0 HD3 ARG A 121 -29.909 27.996 7.553 1.00 3.33 H new ATOM 0 HE ARG A 121 -28.945 26.138 9.487 1.00 4.09 H new ATOM 0 HH11 ARG A 121 -31.639 27.144 7.515 1.00 5.79 H new ATOM 0 HH12 ARG A 121 -32.734 25.985 8.278 1.00 5.79 H new ATOM 0 HH21 ARG A 121 -30.419 24.874 10.562 1.00 6.09 H new ATOM 0 HH22 ARG A 121 -32.067 24.744 9.939 1.00 6.09 H new ATOM 1882 N VAL A 122 -24.445 27.450 5.913 1.00 0.52 N ATOM 1883 CA VAL A 122 -23.204 26.743 6.220 1.00 0.38 C ATOM 1884 C VAL A 122 -22.838 27.192 7.642 1.00 0.34 C ATOM 1885 O VAL A 122 -22.832 28.372 7.936 1.00 0.42 O ATOM 1886 CB VAL A 122 -22.111 27.083 5.210 1.00 0.44 C ATOM 1887 CG1 VAL A 122 -20.867 26.289 5.479 1.00 0.86 C ATOM 1888 CG2 VAL A 122 -22.591 26.786 3.801 1.00 0.89 C ATOM 0 H VAL A 122 -24.434 28.429 6.197 1.00 0.52 H new ATOM 0 HA VAL A 122 -23.318 25.661 6.161 1.00 0.38 H new ATOM 0 HB VAL A 122 -21.884 28.145 5.308 1.00 0.44 H new ATOM 0 HG11 VAL A 122 -20.104 26.549 4.746 1.00 0.86 H new ATOM 0 HG12 VAL A 122 -20.501 26.515 6.480 1.00 0.86 H new ATOM 0 HG13 VAL A 122 -21.092 25.225 5.406 1.00 0.86 H new ATOM 0 HG21 VAL A 122 -21.803 27.032 3.089 1.00 0.89 H new ATOM 0 HG22 VAL A 122 -22.839 25.728 3.716 1.00 0.89 H new ATOM 0 HG23 VAL A 122 -23.476 27.384 3.584 1.00 0.89 H new ATOM 1898 N SER A 123 -22.213 26.280 8.388 1.00 0.27 N ATOM 1899 CA SER A 123 -21.584 26.553 9.678 1.00 0.28 C ATOM 1900 C SER A 123 -20.217 25.889 9.887 1.00 0.27 C ATOM 1901 O SER A 123 -19.898 24.862 9.283 1.00 0.36 O ATOM 1902 CB SER A 123 -22.583 26.168 10.760 1.00 0.31 C ATOM 1903 OG SER A 123 -21.996 26.219 12.024 1.00 1.13 O ATOM 0 H SER A 123 -22.129 25.304 8.102 1.00 0.27 H new ATOM 0 HA SER A 123 -21.346 27.616 9.722 1.00 0.28 H new ATOM 0 HB2 SER A 123 -23.439 26.842 10.725 1.00 0.31 H new ATOM 0 HB3 SER A 123 -22.960 25.163 10.571 1.00 0.31 H new ATOM 0 HG SER A 123 -22.692 26.336 12.704 1.00 1.13 H new ATOM 1909 N LYS A 124 -19.409 26.474 10.787 1.00 0.26 N ATOM 1910 CA LYS A 124 -18.194 25.883 11.367 1.00 0.28 C ATOM 1911 C LYS A 124 -18.458 25.304 12.773 1.00 0.25 C ATOM 1912 O LYS A 124 -19.026 25.984 13.625 1.00 0.28 O ATOM 1913 CB LYS A 124 -17.033 26.909 11.355 1.00 0.36 C ATOM 1914 CG LYS A 124 -17.268 28.261 12.075 1.00 0.44 C ATOM 1915 CD LYS A 124 -17.839 29.386 11.184 1.00 0.83 C ATOM 1916 CE LYS A 124 -18.385 30.556 12.019 1.00 1.29 C ATOM 1917 NZ LYS A 124 -17.344 31.271 12.794 1.00 1.76 N ATOM 0 H LYS A 124 -19.594 27.411 11.145 1.00 0.26 H new ATOM 0 HA LYS A 124 -17.891 25.041 10.745 1.00 0.28 H new ATOM 0 HB2 LYS A 124 -16.160 26.435 11.805 1.00 0.36 H new ATOM 0 HB3 LYS A 124 -16.781 27.120 10.316 1.00 0.36 H new ATOM 0 HG2 LYS A 124 -17.951 28.097 12.909 1.00 0.44 H new ATOM 0 HG3 LYS A 124 -16.322 28.599 12.499 1.00 0.44 H new ATOM 0 HD2 LYS A 124 -17.060 29.750 10.515 1.00 0.83 H new ATOM 0 HD3 LYS A 124 -18.635 28.984 10.557 1.00 0.83 H new ATOM 0 HE2 LYS A 124 -18.882 31.264 11.355 1.00 1.29 H new ATOM 0 HE3 LYS A 124 -19.142 30.178 12.706 1.00 1.29 H new ATOM 0 HZ1 LYS A 124 -17.787 31.774 13.589 1.00 1.76 H new ATOM 0 HZ2 LYS A 124 -16.652 30.586 13.160 1.00 1.76 H new ATOM 0 HZ3 LYS A 124 -16.861 31.955 12.178 1.00 1.76 H new ATOM 1931 N ARG A 125 -17.959 24.093 13.039 1.00 0.23 N ATOM 1932 CA ARG A 125 -17.850 23.466 14.358 1.00 0.21 C ATOM 1933 C ARG A 125 -16.777 24.082 15.221 1.00 0.23 C ATOM 1934 O ARG A 125 -15.707 24.412 14.714 1.00 0.26 O ATOM 1935 CB ARG A 125 -17.710 21.934 14.245 1.00 0.26 C ATOM 1936 CG ARG A 125 -16.381 21.309 13.796 1.00 0.40 C ATOM 1937 CD ARG A 125 -16.584 19.782 13.793 1.00 0.65 C ATOM 1938 NE ARG A 125 -15.419 19.050 13.283 1.00 1.02 N ATOM 1939 CZ ARG A 125 -15.239 17.747 13.205 1.00 1.53 C ATOM 1940 NH1 ARG A 125 -16.079 16.898 13.725 1.00 2.06 N ATOM 1941 NH2 ARG A 125 -14.206 17.254 12.598 1.00 2.00 N ATOM 0 H ARG A 125 -17.601 23.491 12.298 1.00 0.23 H new ATOM 0 HA ARG A 125 -18.788 23.668 14.876 1.00 0.21 H new ATOM 0 HB2 ARG A 125 -17.950 21.515 15.222 1.00 0.26 H new ATOM 0 HB3 ARG A 125 -18.479 21.590 13.553 1.00 0.26 H new ATOM 0 HG2 ARG A 125 -16.103 21.664 12.803 1.00 0.40 H new ATOM 0 HG3 ARG A 125 -15.574 21.590 14.472 1.00 0.40 H new ATOM 0 HD2 ARG A 125 -16.801 19.448 14.808 1.00 0.65 H new ATOM 0 HD3 ARG A 125 -17.455 19.538 13.184 1.00 0.65 H new ATOM 0 HE ARG A 125 -14.648 19.625 12.945 1.00 1.02 H new ATOM 0 HH11 ARG A 125 -16.909 17.235 14.212 1.00 2.06 H new ATOM 0 HH12 ARG A 125 -15.907 15.896 13.645 1.00 2.06 H new ATOM 0 HH21 ARG A 125 -13.519 17.877 12.173 1.00 2.00 H new ATOM 0 HH22 ARG A 125 -14.080 16.243 12.545 1.00 2.00 H new ATOM 1955 N LEU A 126 -16.973 24.146 16.530 1.00 0.25 N ATOM 1956 CA LEU A 126 -15.932 24.527 17.492 1.00 0.28 C ATOM 1957 C LEU A 126 -16.107 23.840 18.859 1.00 0.31 C ATOM 1958 O LEU A 126 -15.587 24.304 19.868 1.00 0.41 O ATOM 1959 CB LEU A 126 -15.716 26.063 17.525 1.00 0.30 C ATOM 1960 CG LEU A 126 -16.834 27.043 17.940 1.00 0.29 C ATOM 1961 CD1 LEU A 126 -18.021 27.087 16.975 1.00 0.28 C ATOM 1962 CD2 LEU A 126 -17.369 26.811 19.348 1.00 0.30 C ATOM 0 H LEU A 126 -17.870 23.933 16.967 1.00 0.25 H new ATOM 0 HA LEU A 126 -14.980 24.131 17.139 1.00 0.28 H new ATOM 0 HB2 LEU A 126 -14.875 26.247 18.193 1.00 0.30 H new ATOM 0 HB3 LEU A 126 -15.398 26.356 16.524 1.00 0.30 H new ATOM 0 HG LEU A 126 -16.323 28.005 17.909 1.00 0.29 H new ATOM 0 HD11 LEU A 126 -18.761 27.800 17.340 1.00 0.28 H new ATOM 0 HD12 LEU A 126 -17.676 27.396 15.988 1.00 0.28 H new ATOM 0 HD13 LEU A 126 -18.473 26.097 16.908 1.00 0.28 H new ATOM 0 HD21 LEU A 126 -18.151 27.539 19.565 1.00 0.30 H new ATOM 0 HD22 LEU A 126 -17.781 25.804 19.420 1.00 0.30 H new ATOM 0 HD23 LEU A 126 -16.559 26.924 20.068 1.00 0.30 H new ATOM 1974 N ALA A 127 -16.808 22.703 18.913 1.00 0.40 N ATOM 1975 CA ALA A 127 -16.789 21.810 20.105 1.00 0.44 C ATOM 1976 C ALA A 127 -15.337 21.224 20.291 1.00 0.71 C ATOM 1977 O ALA A 127 -14.698 20.767 19.337 1.00 1.34 O ATOM 1978 CB ALA A 127 -17.926 20.727 20.073 1.00 0.44 C ATOM 1979 OXT ALA A 127 -14.801 21.208 21.399 1.00 30.00 O ATOM 0 H ALA A 127 -17.399 22.368 18.152 1.00 0.40 H new ATOM 0 HA ALA A 127 -17.022 22.395 20.995 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -17.862 20.106 20.966 1.00 0.44 H new ATOM 0 HB2 ALA A 127 -18.898 21.220 20.043 1.00 0.44 H new ATOM 0 HB3 ALA A 127 -17.808 20.102 19.188 1.00 0.44 H new