USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 996 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 48 SER OG : rot 151:sc= 0.501 USER MOD Set 1.2: A 66 HIS : no HE2:sc= -4.49! C(o=-4!,f=-8.4!) USER MOD Set 2.1: A 58 ASN : amide:sc= -0.583 K(o=-1.2,f=-3.5) USER MOD Set 2.2: A 63 ASN :FLIP amide:sc= -0.616 F(o=-3.4!,f=-1.2) USER MOD Set 3.1: A 42 MET CE :methyl -159:sc= -2.14 (180deg=-2.86!) USER MOD Set 3.2: A 76 THR OG1 : rot 96:sc= 0.291 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 72 HIS : no HE2:sc= -6.06! C(o=-6.1!,f=-8.4!) USER MOD Set 5.1: A 1 GLN :FLIP amide:sc= -0.514 F(o=-8.2!,f=-3) USER MOD Set 5.2: A 3 GLN :FLIP amide:sc= -2.49! C(o=-5.4!,f=-3!) USER MOD Single : A 1 GLN N :NH3+ -117:sc= 0.0909 (180deg=-0.0114) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 1.12 (180deg=0.96) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.565 K(o=0.56,f=-0.71) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -134:sc= -0.0698 (180deg=-0.355) USER MOD Single : A 32 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.21) USER MOD Single : A 37 THR OG1 : rot -38:sc= 0.943 USER MOD Single : A 39 CYS SG : rot -53:sc= -3.59 USER MOD Single : A 40 LYS NZ :NH3+ 142:sc= -2.78! (180deg=-4.75!) USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.23) USER MOD Single : A 49 MET CE :methyl -156:sc= -0.154 (180deg=-0.815) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0.853 (180deg=0.853) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -2.55! C(o=-2.5!,f=-4.1!) USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= -0.0048 (180deg=-0.113) USER MOD Single : A 68 ASN :FLIP amide:sc= -1.02 F(o=-2.1,f=-1) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 82 ASN : amide:sc=-0.00934 K(o=-0.0093,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -171:sc= 1.01 (180deg=0.942) USER MOD Single : A 96 LYS NZ :NH3+ 169:sc=-0.00574 (180deg=-0.134) USER MOD Single : A 97 LYS NZ :NH3+ 163:sc= -0.0576 (180deg=-0.321) USER MOD Single : A 108 SER OG : rot -83:sc= 1.23 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 178:sc= 0.17! (180deg=0.129!) USER MOD Single : A 112 MET CE :methyl 168:sc= -0.0296 (180deg=-0.269) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl 142:sc= -0.988 (180deg=-2.93) USER MOD Single : A 121 ASN :FLIP amide:sc= -0.36 F(o=-1.7,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.328 15.351 -11.123 1.00 0.76 N ATOM 2 CA GLN A 1 -10.332 14.945 -10.107 1.00 0.55 C ATOM 3 C GLN A 1 -9.213 14.147 -10.753 1.00 0.49 C ATOM 4 O GLN A 1 -9.336 13.688 -11.889 1.00 0.60 O ATOM 5 CB GLN A 1 -11.000 14.101 -9.020 1.00 0.52 C ATOM 6 CG GLN A 1 -11.300 12.678 -9.448 1.00 0.69 C ATOM 7 CD GLN A 1 -12.452 12.068 -8.681 1.00 0.71 C ATOM 8 OE1 GLN A 1 -12.138 11.403 -7.587 1.00 1.40 O flip ATOM 9 NE2 GLN A 1 -13.612 12.194 -9.070 1.00 0.88 N flip ATOM 0 H1 GLN A 1 -11.355 16.389 -11.187 1.00 0.76 H new ATOM 0 H2 GLN A 1 -11.063 14.954 -12.047 1.00 0.76 H new ATOM 0 H3 GLN A 1 -12.267 14.996 -10.850 1.00 0.76 H new ATOM 0 HA GLN A 1 -9.914 15.845 -9.657 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.354 14.078 -8.143 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -11.930 14.583 -8.719 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -11.530 12.664 -10.513 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -10.410 12.065 -9.307 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -13.810 12.717 -9.923 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -14.376 11.775 -8.540 1.00 0.88 H new ATOM 20 N LEU A 2 -8.129 13.977 -10.020 1.00 0.39 N ATOM 21 CA LEU A 2 -7.026 13.167 -10.462 1.00 0.36 C ATOM 22 C LEU A 2 -6.891 11.970 -9.529 1.00 0.26 C ATOM 23 O LEU A 2 -6.968 12.114 -8.307 1.00 0.27 O ATOM 24 CB LEU A 2 -5.752 14.023 -10.477 1.00 0.48 C ATOM 25 CG LEU A 2 -4.465 13.305 -10.086 1.00 0.85 C ATOM 26 CD1 LEU A 2 -4.039 12.315 -11.163 1.00 1.45 C ATOM 27 CD2 LEU A 2 -3.360 14.313 -9.808 1.00 1.32 C ATOM 0 H LEU A 2 -7.995 14.400 -9.102 1.00 0.39 H new ATOM 0 HA LEU A 2 -7.194 12.795 -11.472 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -5.626 14.435 -11.478 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -5.895 14.866 -9.801 1.00 0.48 H new ATOM 0 HG LEU A 2 -4.654 12.740 -9.174 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -3.118 11.818 -10.857 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.823 11.571 -11.304 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -3.870 12.847 -12.100 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -2.448 13.785 -9.530 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.177 14.908 -10.703 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -3.663 14.969 -8.992 1.00 1.32 H new ATOM 39 N GLN A 3 -6.722 10.791 -10.103 1.00 0.24 N ATOM 40 CA GLN A 3 -6.537 9.592 -9.310 1.00 0.22 C ATOM 41 C GLN A 3 -5.251 8.901 -9.707 1.00 0.22 C ATOM 42 O GLN A 3 -4.971 8.746 -10.893 1.00 0.25 O ATOM 43 CB GLN A 3 -7.678 8.591 -9.509 1.00 0.24 C ATOM 44 CG GLN A 3 -9.063 9.194 -9.665 1.00 0.26 C ATOM 45 CD GLN A 3 -10.150 8.174 -9.374 1.00 0.26 C ATOM 46 OE1 GLN A 3 -9.827 6.900 -9.548 1.00 0.33 O flip ATOM 47 NE2 GLN A 3 -11.255 8.523 -8.970 1.00 0.25 N flip ATOM 0 H GLN A 3 -6.709 10.640 -11.112 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.512 9.907 -8.267 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.461 7.992 -10.393 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.692 7.910 -8.658 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -9.169 10.043 -8.990 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -9.183 9.576 -10.679 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -11.464 9.514 -8.849 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -11.964 7.822 -8.755 1.00 0.25 H new ATOM 56 N GLU A 4 -4.474 8.481 -8.727 1.00 0.22 N ATOM 57 CA GLU A 4 -3.328 7.630 -8.994 1.00 0.25 C ATOM 58 C GLU A 4 -3.511 6.322 -8.260 1.00 0.23 C ATOM 59 O GLU A 4 -3.858 6.313 -7.079 1.00 0.27 O ATOM 60 CB GLU A 4 -2.022 8.285 -8.559 1.00 0.30 C ATOM 61 CG GLU A 4 -1.948 9.757 -8.888 1.00 0.28 C ATOM 62 CD GLU A 4 -0.562 10.179 -9.323 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.264 10.515 -8.444 1.00 0.75 O ATOM 64 OE2 GLU A 4 -0.292 10.194 -10.539 1.00 0.88 O ATOM 0 H GLU A 4 -4.613 8.713 -7.744 1.00 0.22 H new ATOM 0 HA GLU A 4 -3.268 7.461 -10.069 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.900 8.154 -7.484 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -1.189 7.771 -9.039 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.661 9.986 -9.680 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.245 10.338 -8.015 1.00 0.28 H new ATOM 71 N LYS A 5 -3.289 5.218 -8.943 1.00 0.24 N ATOM 72 CA LYS A 5 -3.523 3.925 -8.337 1.00 0.25 C ATOM 73 C LYS A 5 -2.217 3.175 -8.250 1.00 0.25 C ATOM 74 O LYS A 5 -1.603 2.844 -9.262 1.00 0.30 O ATOM 75 CB LYS A 5 -4.540 3.082 -9.120 1.00 0.30 C ATOM 76 CG LYS A 5 -5.733 3.855 -9.664 1.00 0.40 C ATOM 77 CD LYS A 5 -5.392 4.634 -10.929 1.00 0.66 C ATOM 78 CE LYS A 5 -6.601 5.354 -11.495 1.00 1.21 C ATOM 79 NZ LYS A 5 -6.287 6.044 -12.775 1.00 1.43 N ATOM 0 H LYS A 5 -2.951 5.189 -9.905 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.939 4.099 -7.345 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -4.027 2.602 -9.953 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.907 2.287 -8.471 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -6.546 3.161 -9.876 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -6.094 4.545 -8.901 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -4.609 5.359 -10.708 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.993 3.951 -11.679 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -7.407 4.638 -11.657 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -6.962 6.082 -10.769 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -7.139 6.524 -13.129 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -5.536 6.745 -12.616 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -5.966 5.346 -13.476 1.00 1.43 H new ATOM 93 N LEU A 6 -1.805 2.907 -7.038 1.00 0.23 N ATOM 94 CA LEU A 6 -0.576 2.199 -6.796 1.00 0.25 C ATOM 95 C LEU A 6 -0.913 0.764 -6.434 1.00 0.24 C ATOM 96 O LEU A 6 -1.258 0.455 -5.292 1.00 0.24 O ATOM 97 CB LEU A 6 0.199 2.917 -5.691 1.00 0.26 C ATOM 98 CG LEU A 6 0.295 4.434 -5.898 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.853 5.121 -4.664 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.150 4.753 -7.117 1.00 0.30 C ATOM 0 H LEU A 6 -2.311 3.173 -6.193 1.00 0.23 H new ATOM 0 HA LEU A 6 0.059 2.181 -7.681 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.282 2.719 -4.733 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.205 2.501 -5.635 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.712 4.814 -6.069 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.910 6.195 -4.840 1.00 0.32 H new ATOM 0 HD12 LEU A 6 0.200 4.927 -3.813 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.850 4.735 -4.452 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.207 5.834 -7.249 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.153 4.351 -6.973 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.703 4.303 -8.003 1.00 0.30 H new ATOM 112 N TYR A 7 -0.884 -0.094 -7.444 1.00 0.27 N ATOM 113 CA TYR A 7 -1.321 -1.469 -7.298 1.00 0.27 C ATOM 114 C TYR A 7 -0.373 -2.271 -6.439 1.00 0.29 C ATOM 115 O TYR A 7 0.846 -2.116 -6.516 1.00 0.38 O ATOM 116 CB TYR A 7 -1.472 -2.139 -8.661 1.00 0.32 C ATOM 117 CG TYR A 7 -2.872 -2.071 -9.217 1.00 0.35 C ATOM 118 CD1 TYR A 7 -3.287 -0.963 -9.940 1.00 0.47 C ATOM 119 CD2 TYR A 7 -3.775 -3.106 -9.021 1.00 0.36 C ATOM 120 CE1 TYR A 7 -4.566 -0.886 -10.455 1.00 0.57 C ATOM 121 CE2 TYR A 7 -5.056 -3.039 -9.534 1.00 0.46 C ATOM 122 CZ TYR A 7 -5.456 -1.962 -10.232 1.00 0.56 C ATOM 123 OH TYR A 7 -6.719 -1.857 -10.771 1.00 0.69 O ATOM 0 H TYR A 7 -0.558 0.144 -8.381 1.00 0.27 H new ATOM 0 HA TYR A 7 -2.291 -1.443 -6.802 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.787 -1.667 -9.366 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -1.174 -3.184 -8.577 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -2.599 -0.147 -10.103 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -3.472 -3.977 -8.459 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -4.881 -0.020 -11.018 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -5.741 -3.858 -9.373 1.00 0.46 H new ATOM 0 HH TYR A 7 -7.237 -2.659 -10.550 1.00 0.69 H new ATOM 133 N VAL A 8 -0.954 -3.121 -5.620 1.00 0.24 N ATOM 134 CA VAL A 8 -0.199 -4.017 -4.792 1.00 0.26 C ATOM 135 C VAL A 8 -0.892 -5.381 -4.808 1.00 0.26 C ATOM 136 O VAL A 8 -1.992 -5.558 -4.296 1.00 0.26 O ATOM 137 CB VAL A 8 -0.062 -3.429 -3.371 1.00 0.36 C ATOM 138 CG1 VAL A 8 -1.406 -3.344 -2.660 1.00 1.12 C ATOM 139 CG2 VAL A 8 0.953 -4.214 -2.577 1.00 1.27 C ATOM 0 H VAL A 8 -1.965 -3.205 -5.514 1.00 0.24 H new ATOM 0 HA VAL A 8 0.815 -4.147 -5.171 1.00 0.26 H new ATOM 0 HB VAL A 8 0.300 -2.405 -3.459 1.00 0.36 H new ATOM 0 HG11 VAL A 8 -1.265 -2.925 -1.664 1.00 1.12 H new ATOM 0 HG12 VAL A 8 -2.080 -2.704 -3.230 1.00 1.12 H new ATOM 0 HG13 VAL A 8 -1.837 -4.342 -2.576 1.00 1.12 H new ATOM 0 HG21 VAL A 8 1.040 -3.789 -1.577 1.00 1.27 H new ATOM 0 HG22 VAL A 8 0.632 -5.253 -2.503 1.00 1.27 H new ATOM 0 HG23 VAL A 8 1.921 -4.167 -3.077 1.00 1.27 H new ATOM 149 N PRO A 9 -0.251 -6.370 -5.419 1.00 0.32 N ATOM 150 CA PRO A 9 -0.913 -7.619 -5.759 1.00 0.37 C ATOM 151 C PRO A 9 -1.210 -8.488 -4.546 1.00 0.34 C ATOM 152 O PRO A 9 -0.365 -9.256 -4.086 1.00 0.35 O ATOM 153 CB PRO A 9 0.073 -8.296 -6.707 1.00 0.44 C ATOM 154 CG PRO A 9 1.405 -7.759 -6.315 1.00 0.43 C ATOM 155 CD PRO A 9 1.161 -6.353 -5.823 1.00 0.39 C ATOM 0 HA PRO A 9 -1.894 -7.450 -6.203 1.00 0.37 H new ATOM 0 HB2 PRO A 9 0.038 -9.381 -6.606 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.156 -8.065 -7.747 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.858 -8.372 -5.536 1.00 0.43 H new ATOM 0 HG3 PRO A 9 2.091 -7.762 -7.162 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.814 -6.101 -4.988 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.346 -5.617 -6.605 1.00 0.39 H new ATOM 163 N VAL A 10 -2.420 -8.352 -4.025 1.00 0.34 N ATOM 164 CA VAL A 10 -2.876 -9.187 -2.927 1.00 0.36 C ATOM 165 C VAL A 10 -2.979 -10.631 -3.402 1.00 0.43 C ATOM 166 O VAL A 10 -2.893 -11.575 -2.623 1.00 0.47 O ATOM 167 CB VAL A 10 -4.237 -8.711 -2.380 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.361 -8.980 -3.371 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.526 -9.355 -1.032 1.00 0.52 C ATOM 0 H VAL A 10 -3.105 -7.668 -4.347 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.152 -9.114 -2.116 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.183 -7.632 -2.238 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.306 -8.632 -2.953 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.159 -8.451 -4.302 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.424 -10.050 -3.568 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.490 -9.007 -0.662 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.550 -10.439 -1.144 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.745 -9.081 -0.323 1.00 0.52 H new ATOM 179 N LYS A 11 -3.155 -10.776 -4.709 1.00 0.49 N ATOM 180 CA LYS A 11 -3.143 -12.082 -5.352 1.00 0.58 C ATOM 181 C LYS A 11 -1.756 -12.706 -5.241 1.00 0.53 C ATOM 182 O LYS A 11 -1.615 -13.925 -5.187 1.00 0.60 O ATOM 183 CB LYS A 11 -3.552 -11.963 -6.824 1.00 0.72 C ATOM 184 CG LYS A 11 -2.818 -10.868 -7.585 1.00 1.27 C ATOM 185 CD LYS A 11 -3.027 -11.005 -9.082 1.00 1.76 C ATOM 186 CE LYS A 11 -4.493 -10.899 -9.462 1.00 2.24 C ATOM 187 NZ LYS A 11 -5.039 -9.537 -9.229 1.00 2.93 N ATOM 0 H LYS A 11 -3.309 -9.997 -5.349 1.00 0.49 H new ATOM 0 HA LYS A 11 -3.863 -12.724 -4.845 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -3.372 -12.918 -7.318 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -4.624 -11.773 -6.878 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -3.172 -9.892 -7.254 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -1.753 -10.915 -7.358 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -2.461 -10.231 -9.600 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -2.634 -11.965 -9.417 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -4.613 -11.161 -10.513 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -5.069 -11.622 -8.885 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -6.011 -9.485 -9.596 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -5.043 -9.334 -8.209 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -4.446 -8.837 -9.718 1.00 2.93 H new ATOM 201 N GLU A 12 -0.740 -11.854 -5.192 1.00 0.45 N ATOM 202 CA GLU A 12 0.637 -12.303 -5.068 1.00 0.44 C ATOM 203 C GLU A 12 0.968 -12.673 -3.637 1.00 0.39 C ATOM 204 O GLU A 12 1.756 -13.584 -3.391 1.00 0.43 O ATOM 205 CB GLU A 12 1.598 -11.225 -5.549 1.00 0.46 C ATOM 206 CG GLU A 12 1.770 -11.209 -7.057 1.00 0.60 C ATOM 207 CD GLU A 12 2.270 -12.535 -7.596 1.00 0.77 C ATOM 208 OE1 GLU A 12 3.478 -12.818 -7.467 1.00 0.97 O ATOM 209 OE2 GLU A 12 1.461 -13.302 -8.157 1.00 0.96 O ATOM 0 H GLU A 12 -0.847 -10.841 -5.237 1.00 0.45 H new ATOM 0 HA GLU A 12 0.749 -13.190 -5.692 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.236 -10.251 -5.221 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.570 -11.378 -5.080 1.00 0.46 H new ATOM 0 HG2 GLU A 12 0.817 -10.966 -7.526 1.00 0.60 H new ATOM 0 HG3 GLU A 12 2.471 -10.421 -7.332 1.00 0.60 H new ATOM 216 N TYR A 13 0.364 -11.964 -2.699 1.00 0.34 N ATOM 217 CA TYR A 13 0.632 -12.182 -1.289 1.00 0.35 C ATOM 218 C TYR A 13 -0.652 -12.576 -0.568 1.00 0.39 C ATOM 219 O TYR A 13 -1.318 -11.736 0.029 1.00 0.40 O ATOM 220 CB TYR A 13 1.219 -10.918 -0.656 1.00 0.34 C ATOM 221 CG TYR A 13 2.384 -10.333 -1.423 1.00 0.35 C ATOM 222 CD1 TYR A 13 2.169 -9.457 -2.477 1.00 0.34 C ATOM 223 CD2 TYR A 13 3.693 -10.651 -1.093 1.00 0.44 C ATOM 224 CE1 TYR A 13 3.219 -8.914 -3.183 1.00 0.40 C ATOM 225 CE2 TYR A 13 4.755 -10.111 -1.795 1.00 0.48 C ATOM 226 CZ TYR A 13 4.512 -9.243 -2.841 1.00 0.46 C ATOM 227 OH TYR A 13 5.566 -8.699 -3.540 1.00 0.53 O ATOM 0 H TYR A 13 -0.318 -11.230 -2.890 1.00 0.34 H new ATOM 0 HA TYR A 13 1.357 -12.990 -1.194 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.435 -10.165 -0.576 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.544 -11.149 0.359 1.00 0.34 H new ATOM 0 HD1 TYR A 13 1.157 -9.196 -2.749 1.00 0.34 H new ATOM 0 HD2 TYR A 13 3.886 -11.330 -0.276 1.00 0.44 H new ATOM 0 HE1 TYR A 13 3.030 -8.234 -4.000 1.00 0.40 H new ATOM 0 HE2 TYR A 13 5.769 -10.367 -1.526 1.00 0.48 H new ATOM 0 HH TYR A 13 6.410 -9.033 -3.171 1.00 0.53 H new ATOM 237 N PRO A 14 -1.024 -13.864 -0.632 1.00 0.47 N ATOM 238 CA PRO A 14 -2.261 -14.363 -0.027 1.00 0.55 C ATOM 239 C PRO A 14 -2.207 -14.333 1.494 1.00 0.59 C ATOM 240 O PRO A 14 -3.235 -14.450 2.167 1.00 0.68 O ATOM 241 CB PRO A 14 -2.363 -15.812 -0.530 1.00 0.64 C ATOM 242 CG PRO A 14 -1.352 -15.930 -1.623 1.00 0.75 C ATOM 243 CD PRO A 14 -0.278 -14.937 -1.300 1.00 0.52 C ATOM 0 HA PRO A 14 -3.119 -13.749 -0.300 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -2.157 -16.521 0.272 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -3.366 -16.029 -0.898 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -0.947 -16.941 -1.673 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -1.800 -15.718 -2.594 1.00 0.75 H new ATOM 0 HD2 PRO A 14 0.487 -15.364 -0.651 1.00 0.52 H new ATOM 0 HD3 PRO A 14 0.228 -14.581 -2.197 1.00 0.52 H new ATOM 251 N ASP A 15 -1.003 -14.167 2.029 1.00 0.57 N ATOM 252 CA ASP A 15 -0.791 -14.172 3.471 1.00 0.67 C ATOM 253 C ASP A 15 -0.599 -12.753 4.005 1.00 0.62 C ATOM 254 O ASP A 15 -0.658 -12.517 5.214 1.00 0.76 O ATOM 255 CB ASP A 15 0.425 -15.040 3.807 1.00 0.78 C ATOM 256 CG ASP A 15 0.714 -15.115 5.291 1.00 1.64 C ATOM 257 OD1 ASP A 15 -0.066 -15.759 6.021 1.00 2.43 O ATOM 258 OD2 ASP A 15 1.739 -14.552 5.728 1.00 2.15 O ATOM 0 H ASP A 15 -0.154 -14.026 1.481 1.00 0.57 H new ATOM 0 HA ASP A 15 -1.676 -14.589 3.952 1.00 0.67 H new ATOM 0 HB2 ASP A 15 0.261 -16.047 3.424 1.00 0.78 H new ATOM 0 HB3 ASP A 15 1.300 -14.642 3.293 1.00 0.78 H new ATOM 263 N PHE A 16 -0.405 -11.800 3.102 1.00 0.48 N ATOM 264 CA PHE A 16 -0.206 -10.416 3.503 1.00 0.43 C ATOM 265 C PHE A 16 -1.426 -9.585 3.144 1.00 0.37 C ATOM 266 O PHE A 16 -1.684 -9.308 1.973 1.00 0.36 O ATOM 267 CB PHE A 16 1.040 -9.828 2.843 1.00 0.41 C ATOM 268 CG PHE A 16 1.568 -8.610 3.556 1.00 0.40 C ATOM 269 CD1 PHE A 16 2.423 -8.743 4.636 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.209 -7.341 3.148 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.910 -7.630 5.295 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.692 -6.224 3.800 1.00 0.36 C ATOM 273 CZ PHE A 16 2.545 -6.368 4.874 1.00 0.49 C ATOM 0 H PHE A 16 -0.382 -11.959 2.095 1.00 0.48 H new ATOM 0 HA PHE A 16 -0.064 -10.394 4.583 1.00 0.43 H new ATOM 0 HB2 PHE A 16 1.820 -10.589 2.810 1.00 0.41 H new ATOM 0 HB3 PHE A 16 0.807 -9.565 1.811 1.00 0.41 H new ATOM 0 HD1 PHE A 16 2.713 -9.729 4.968 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.541 -7.220 2.308 1.00 0.34 H new ATOM 0 HE1 PHE A 16 3.575 -7.748 6.138 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.402 -5.238 3.469 1.00 0.36 H new ATOM 0 HZ PHE A 16 2.926 -5.496 5.384 1.00 0.49 H new ATOM 283 N ASN A 17 -2.176 -9.190 4.157 1.00 0.37 N ATOM 284 CA ASN A 17 -3.361 -8.384 3.937 1.00 0.35 C ATOM 285 C ASN A 17 -2.998 -6.909 3.867 1.00 0.30 C ATOM 286 O ASN A 17 -2.718 -6.280 4.878 1.00 0.30 O ATOM 287 CB ASN A 17 -4.435 -8.642 5.013 1.00 0.45 C ATOM 288 CG ASN A 17 -3.914 -8.750 6.450 1.00 0.74 C ATOM 289 OD1 ASN A 17 -4.448 -9.522 7.245 1.00 1.29 O ATOM 290 ND2 ASN A 17 -2.919 -7.956 6.817 1.00 0.71 N ATOM 0 H ASN A 17 -1.987 -9.413 5.134 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.790 -8.678 2.979 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -5.169 -7.837 4.970 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -4.960 -9.565 4.765 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -2.579 -7.976 7.778 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -2.493 -7.325 6.138 1.00 0.71 H new ATOM 297 N PHE A 18 -2.977 -6.359 2.667 1.00 0.28 N ATOM 298 CA PHE A 18 -2.623 -4.959 2.494 1.00 0.26 C ATOM 299 C PHE A 18 -3.643 -4.048 3.163 1.00 0.27 C ATOM 300 O PHE A 18 -3.289 -3.020 3.724 1.00 0.27 O ATOM 301 CB PHE A 18 -2.457 -4.621 1.019 1.00 0.24 C ATOM 302 CG PHE A 18 -1.330 -5.384 0.399 1.00 0.23 C ATOM 303 CD1 PHE A 18 -0.047 -5.185 0.861 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.543 -6.295 -0.628 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.010 -5.870 0.320 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.478 -6.991 -1.180 1.00 0.25 C ATOM 307 CZ PHE A 18 0.799 -6.774 -0.701 1.00 0.25 C ATOM 0 H PHE A 18 -3.199 -6.854 1.803 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.664 -4.789 2.984 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.383 -4.844 0.488 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.276 -3.552 0.909 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.128 -4.480 1.660 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.544 -6.462 -0.999 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.009 -5.702 0.693 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.646 -7.698 -1.979 1.00 0.25 H new ATOM 0 HZ PHE A 18 1.633 -7.312 -1.126 1.00 0.25 H new ATOM 317 N VAL A 19 -4.904 -4.437 3.121 1.00 0.31 N ATOM 318 CA VAL A 19 -5.937 -3.749 3.879 1.00 0.32 C ATOM 319 C VAL A 19 -5.662 -3.870 5.373 1.00 0.29 C ATOM 320 O VAL A 19 -5.625 -2.873 6.077 1.00 0.27 O ATOM 321 CB VAL A 19 -7.337 -4.300 3.549 1.00 0.41 C ATOM 322 CG1 VAL A 19 -8.387 -3.723 4.484 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.687 -3.996 2.101 1.00 1.13 C ATOM 0 H VAL A 19 -5.240 -5.227 2.570 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.916 -2.697 3.596 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.323 -5.381 3.691 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -9.365 -4.130 4.228 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -8.143 -3.987 5.513 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -8.407 -2.638 4.383 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.678 -4.389 1.876 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -7.680 -2.917 1.944 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -6.954 -4.463 1.444 1.00 1.13 H new ATOM 333 N GLY A 20 -5.421 -5.087 5.844 1.00 0.33 N ATOM 334 CA GLY A 20 -5.091 -5.293 7.248 1.00 0.35 C ATOM 335 C GLY A 20 -3.766 -4.656 7.635 1.00 0.32 C ATOM 336 O GLY A 20 -3.445 -4.529 8.814 1.00 0.38 O ATOM 0 H GLY A 20 -5.447 -5.938 5.282 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -5.885 -4.878 7.869 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -5.050 -6.362 7.455 1.00 0.35 H new ATOM 340 N ARG A 21 -2.999 -4.267 6.632 1.00 0.29 N ATOM 341 CA ARG A 21 -1.709 -3.624 6.827 1.00 0.32 C ATOM 342 C ARG A 21 -1.853 -2.104 6.812 1.00 0.31 C ATOM 343 O ARG A 21 -1.304 -1.408 7.666 1.00 0.39 O ATOM 344 CB ARG A 21 -0.741 -4.099 5.725 1.00 0.33 C ATOM 345 CG ARG A 21 0.222 -3.037 5.193 1.00 0.56 C ATOM 346 CD ARG A 21 1.466 -2.887 6.053 1.00 0.52 C ATOM 347 NE ARG A 21 1.151 -2.527 7.433 1.00 1.51 N ATOM 348 CZ ARG A 21 1.655 -3.136 8.501 1.00 2.26 C ATOM 349 NH1 ARG A 21 2.523 -4.126 8.353 1.00 2.34 N ATOM 350 NH2 ARG A 21 1.292 -2.742 9.714 1.00 3.20 N ATOM 0 H ARG A 21 -3.254 -4.389 5.652 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.308 -3.902 7.802 1.00 0.32 H new ATOM 0 HB2 ARG A 21 -0.156 -4.933 6.114 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.328 -4.483 4.891 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.518 -3.297 4.177 1.00 0.56 H new ATOM 0 HG3 ARG A 21 -0.295 -2.079 5.139 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.025 -3.822 6.043 1.00 0.52 H new ATOM 0 HD3 ARG A 21 2.113 -2.124 5.620 1.00 0.52 H new ATOM 0 HE ARG A 21 0.501 -1.757 7.587 1.00 1.51 H new ATOM 0 HH11 ARG A 21 2.805 -4.421 7.418 1.00 2.34 H new ATOM 0 HH12 ARG A 21 2.909 -4.593 9.174 1.00 2.34 H new ATOM 0 HH21 ARG A 21 0.629 -1.975 9.824 1.00 3.20 H new ATOM 0 HH22 ARG A 21 1.676 -3.206 10.537 1.00 3.20 H new ATOM 364 N ILE A 22 -2.612 -1.599 5.855 1.00 0.27 N ATOM 365 CA ILE A 22 -2.710 -0.170 5.635 1.00 0.31 C ATOM 366 C ILE A 22 -3.849 0.401 6.463 1.00 0.28 C ATOM 367 O ILE A 22 -3.723 1.445 7.099 1.00 0.32 O ATOM 368 CB ILE A 22 -2.945 0.121 4.133 1.00 0.40 C ATOM 369 CG1 ILE A 22 -1.751 -0.347 3.295 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.224 1.591 3.891 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.438 0.291 3.690 1.00 0.99 C ATOM 0 H ILE A 22 -3.172 -2.163 5.215 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.777 0.303 5.941 1.00 0.31 H new ATOM 0 HB ILE A 22 -3.826 -0.441 3.822 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.659 -1.429 3.384 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -1.948 -0.129 2.245 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.384 1.760 2.826 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -4.115 1.888 4.444 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.373 2.183 4.229 1.00 0.52 H new ATOM 0 HD11 ILE A 22 0.359 -0.091 3.052 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -0.509 1.372 3.574 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.216 0.052 4.730 1.00 0.99 H new ATOM 383 N LEU A 23 -4.949 -0.325 6.456 1.00 0.30 N ATOM 384 CA LEU A 23 -6.184 0.101 7.087 1.00 0.35 C ATOM 385 C LEU A 23 -6.352 -0.579 8.439 1.00 0.37 C ATOM 386 O LEU A 23 -6.895 0.008 9.374 1.00 0.47 O ATOM 387 CB LEU A 23 -7.388 -0.277 6.213 1.00 0.59 C ATOM 388 CG LEU A 23 -7.432 0.272 4.776 1.00 0.68 C ATOM 389 CD1 LEU A 23 -6.267 -0.221 3.933 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.717 -0.165 4.126 1.00 1.15 C ATOM 0 H LEU A 23 -5.012 -1.239 6.007 1.00 0.30 H new ATOM 0 HA LEU A 23 -6.136 1.182 7.215 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -7.433 -1.365 6.158 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -8.291 0.054 6.726 1.00 0.59 H new ATOM 0 HG LEU A 23 -7.366 1.358 4.835 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -6.344 0.194 2.928 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -5.329 0.098 4.387 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -6.292 -1.309 3.879 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.758 0.219 3.107 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -8.762 -1.254 4.106 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -9.562 0.223 4.694 1.00 1.15 H new ATOM 402 N GLY A 24 -5.888 -1.832 8.501 1.00 0.35 N ATOM 403 CA GLY A 24 -6.119 -2.704 9.645 1.00 0.45 C ATOM 404 C GLY A 24 -6.012 -2.016 10.994 1.00 0.56 C ATOM 405 O GLY A 24 -7.033 -1.681 11.598 1.00 0.70 O ATOM 0 H GLY A 24 -5.342 -2.265 7.756 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -7.111 -3.146 9.554 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.401 -3.524 9.612 1.00 0.45 H new ATOM 409 N PRO A 25 -4.793 -1.829 11.515 1.00 0.59 N ATOM 410 CA PRO A 25 -4.584 -1.173 12.797 1.00 0.74 C ATOM 411 C PRO A 25 -4.411 0.344 12.676 1.00 0.75 C ATOM 412 O PRO A 25 -4.907 1.101 13.509 1.00 0.90 O ATOM 413 CB PRO A 25 -3.300 -1.832 13.296 1.00 0.85 C ATOM 414 CG PRO A 25 -2.532 -2.190 12.061 1.00 0.77 C ATOM 415 CD PRO A 25 -3.523 -2.282 10.923 1.00 0.57 C ATOM 0 HA PRO A 25 -5.438 -1.287 13.465 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -2.730 -1.153 13.930 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -3.519 -2.717 13.893 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -1.773 -1.437 11.849 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -2.011 -3.138 12.194 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -3.227 -1.652 10.085 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -3.601 -3.301 10.544 1.00 0.57 H new ATOM 423 N ARG A 26 -3.723 0.787 11.631 1.00 0.64 N ATOM 424 CA ARG A 26 -3.378 2.193 11.492 1.00 0.71 C ATOM 425 C ARG A 26 -3.996 2.808 10.240 1.00 0.59 C ATOM 426 O ARG A 26 -3.404 3.695 9.621 1.00 0.63 O ATOM 427 CB ARG A 26 -1.859 2.378 11.486 1.00 0.88 C ATOM 428 CG ARG A 26 -1.202 2.000 12.805 1.00 1.34 C ATOM 429 CD ARG A 26 0.203 2.568 12.915 1.00 1.33 C ATOM 430 NE ARG A 26 1.119 2.022 11.911 1.00 1.92 N ATOM 431 CZ ARG A 26 1.703 2.755 10.963 1.00 2.49 C ATOM 432 NH1 ARG A 26 1.417 4.044 10.842 1.00 2.67 N ATOM 433 NH2 ARG A 26 2.571 2.192 10.133 1.00 3.43 N ATOM 0 H ARG A 26 -3.394 0.193 10.870 1.00 0.64 H new ATOM 0 HA ARG A 26 -3.792 2.716 12.354 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -1.429 1.773 10.687 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -1.627 3.418 11.258 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -1.809 2.367 13.633 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -1.164 0.914 12.895 1.00 1.34 H new ATOM 0 HD2 ARG A 26 0.160 3.652 12.809 1.00 1.33 H new ATOM 0 HD3 ARG A 26 0.597 2.360 13.910 1.00 1.33 H new ATOM 0 HE ARG A 26 1.322 1.023 11.939 1.00 1.92 H new ATOM 0 HH11 ARG A 26 0.747 4.479 11.476 1.00 2.67 H new ATOM 0 HH12 ARG A 26 1.867 4.600 10.115 1.00 2.67 H new ATOM 0 HH21 ARG A 26 2.791 1.200 10.221 1.00 3.43 H new ATOM 0 HH22 ARG A 26 3.019 2.751 9.407 1.00 3.43 H new ATOM 447 N GLY A 27 -5.200 2.357 9.891 1.00 0.54 N ATOM 448 CA GLY A 27 -5.937 2.933 8.767 1.00 0.56 C ATOM 449 C GLY A 27 -6.156 4.428 8.918 1.00 0.58 C ATOM 450 O GLY A 27 -6.518 5.123 7.958 1.00 0.56 O ATOM 0 H GLY A 27 -5.685 1.597 10.368 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -5.392 2.741 7.843 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -6.903 2.435 8.677 1.00 0.56 H new ATOM 454 N LEU A 28 -5.934 4.913 10.133 1.00 0.64 N ATOM 455 CA LEU A 28 -5.977 6.332 10.433 1.00 0.68 C ATOM 456 C LEU A 28 -5.086 7.103 9.469 1.00 0.58 C ATOM 457 O LEU A 28 -5.356 8.261 9.169 1.00 0.55 O ATOM 458 CB LEU A 28 -5.515 6.600 11.874 1.00 0.82 C ATOM 459 CG LEU A 28 -6.480 6.175 12.991 1.00 1.46 C ATOM 460 CD1 LEU A 28 -7.862 6.759 12.754 1.00 1.96 C ATOM 461 CD2 LEU A 28 -6.545 4.658 13.127 1.00 2.25 C ATOM 0 H LEU A 28 -5.718 4.327 10.940 1.00 0.64 H new ATOM 0 HA LEU A 28 -7.008 6.667 10.323 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -4.566 6.087 12.029 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -5.321 7.668 11.978 1.00 0.82 H new ATOM 0 HG LEU A 28 -6.096 6.570 13.931 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -8.531 6.447 13.556 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -7.799 7.847 12.737 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -8.249 6.403 11.799 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -7.237 4.394 13.927 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -6.891 4.223 12.189 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -5.554 4.271 13.363 1.00 2.25 H new ATOM 473 N THR A 29 -4.038 6.445 8.971 1.00 0.56 N ATOM 474 CA THR A 29 -3.109 7.083 8.053 1.00 0.52 C ATOM 475 C THR A 29 -3.833 7.557 6.795 1.00 0.42 C ATOM 476 O THR A 29 -3.658 8.693 6.374 1.00 0.41 O ATOM 477 CB THR A 29 -1.919 6.150 7.689 1.00 0.58 C ATOM 478 OG1 THR A 29 -0.916 6.884 6.977 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.358 4.958 6.843 1.00 0.48 C ATOM 0 H THR A 29 -3.816 5.474 9.190 1.00 0.56 H new ATOM 0 HA THR A 29 -2.693 7.953 8.562 1.00 0.52 H new ATOM 0 HB THR A 29 -1.514 5.770 8.627 1.00 0.58 H new ATOM 0 HG1 THR A 29 -0.171 6.288 6.754 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.493 4.336 6.614 1.00 0.48 H new ATOM 0 HG22 THR A 29 -3.092 4.370 7.395 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.804 5.315 5.915 1.00 0.48 H new ATOM 487 N ALA A 30 -4.706 6.717 6.248 1.00 0.39 N ATOM 488 CA ALA A 30 -5.457 7.072 5.051 1.00 0.34 C ATOM 489 C ALA A 30 -6.433 8.194 5.367 1.00 0.32 C ATOM 490 O ALA A 30 -6.614 9.128 4.583 1.00 0.28 O ATOM 491 CB ALA A 30 -6.192 5.858 4.501 1.00 0.38 C ATOM 0 H ALA A 30 -4.910 5.787 6.615 1.00 0.39 H new ATOM 0 HA ALA A 30 -4.761 7.419 4.288 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -6.747 6.143 3.607 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -5.471 5.080 4.248 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -6.885 5.480 5.253 1.00 0.38 H new ATOM 497 N LYS A 31 -7.024 8.106 6.548 1.00 0.38 N ATOM 498 CA LYS A 31 -7.965 9.106 7.022 1.00 0.41 C ATOM 499 C LYS A 31 -7.288 10.461 7.181 1.00 0.38 C ATOM 500 O LYS A 31 -7.876 11.503 6.899 1.00 0.39 O ATOM 501 CB LYS A 31 -8.531 8.669 8.361 1.00 0.49 C ATOM 502 CG LYS A 31 -9.337 7.384 8.287 1.00 1.16 C ATOM 503 CD LYS A 31 -9.965 7.040 9.626 1.00 1.63 C ATOM 504 CE LYS A 31 -10.868 5.821 9.521 1.00 2.36 C ATOM 505 NZ LYS A 31 -11.981 6.033 8.554 1.00 3.09 N ATOM 0 H LYS A 31 -6.865 7.341 7.203 1.00 0.38 H new ATOM 0 HA LYS A 31 -8.765 9.202 6.288 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -7.711 8.534 9.067 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -9.164 9.464 8.756 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -10.118 7.487 7.534 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -8.691 6.567 7.967 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -9.181 6.851 10.359 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -10.542 7.891 9.988 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -10.278 4.958 9.211 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -11.280 5.589 10.503 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -12.874 5.709 8.976 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -12.054 7.045 8.325 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -11.793 5.494 7.685 1.00 3.09 H new ATOM 519 N GLN A 32 -6.049 10.441 7.643 1.00 0.38 N ATOM 520 CA GLN A 32 -5.305 11.670 7.858 1.00 0.40 C ATOM 521 C GLN A 32 -4.928 12.306 6.534 1.00 0.32 C ATOM 522 O GLN A 32 -4.849 13.525 6.427 1.00 0.33 O ATOM 523 CB GLN A 32 -4.049 11.427 8.699 1.00 0.47 C ATOM 524 CG GLN A 32 -4.346 10.921 10.101 1.00 0.55 C ATOM 525 CD GLN A 32 -5.420 11.730 10.804 1.00 0.63 C ATOM 526 OE1 GLN A 32 -5.133 12.718 11.482 1.00 0.72 O ATOM 527 NE2 GLN A 32 -6.667 11.311 10.646 1.00 0.64 N ATOM 0 H GLN A 32 -5.538 9.589 7.876 1.00 0.38 H new ATOM 0 HA GLN A 32 -5.954 12.352 8.408 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.413 10.704 8.188 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.483 12.356 8.769 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -4.660 9.879 10.047 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -3.431 10.948 10.693 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.860 10.488 10.076 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -7.434 11.812 11.095 1.00 0.64 H new ATOM 536 N LEU A 33 -4.699 11.485 5.522 1.00 0.28 N ATOM 537 CA LEU A 33 -4.292 12.001 4.226 1.00 0.25 C ATOM 538 C LEU A 33 -5.423 12.796 3.599 1.00 0.21 C ATOM 539 O LEU A 33 -5.203 13.893 3.106 1.00 0.22 O ATOM 540 CB LEU A 33 -3.850 10.875 3.286 1.00 0.28 C ATOM 541 CG LEU A 33 -2.892 9.844 3.894 1.00 0.72 C ATOM 542 CD1 LEU A 33 -2.223 9.022 2.808 1.00 1.20 C ATOM 543 CD2 LEU A 33 -1.855 10.512 4.788 1.00 1.61 C ATOM 0 H LEU A 33 -4.787 10.470 5.571 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.437 12.659 4.382 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.738 10.353 2.930 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -3.371 11.320 2.414 1.00 0.28 H new ATOM 0 HG LEU A 33 -3.480 9.170 4.516 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -1.548 8.298 3.264 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -2.983 8.496 2.230 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -1.657 9.681 2.150 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -1.191 9.754 5.204 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -1.273 11.223 4.202 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.359 11.038 5.599 1.00 1.61 H new ATOM 555 N GLU A 34 -6.639 12.278 3.668 1.00 0.21 N ATOM 556 CA GLU A 34 -7.775 12.988 3.090 1.00 0.25 C ATOM 557 C GLU A 34 -8.093 14.230 3.903 1.00 0.29 C ATOM 558 O GLU A 34 -8.502 15.259 3.362 1.00 0.33 O ATOM 559 CB GLU A 34 -9.004 12.082 2.972 1.00 0.31 C ATOM 560 CG GLU A 34 -9.342 11.306 4.235 1.00 0.38 C ATOM 561 CD GLU A 34 -10.555 10.410 4.064 1.00 0.54 C ATOM 562 OE1 GLU A 34 -10.425 9.338 3.436 1.00 0.63 O ATOM 563 OE2 GLU A 34 -11.641 10.770 4.562 1.00 0.87 O ATOM 0 H GLU A 34 -6.866 11.386 4.109 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.499 13.295 2.081 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.864 12.692 2.695 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.841 11.374 2.159 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.484 10.699 4.524 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.525 12.007 5.049 1.00 0.38 H new ATOM 570 N ALA A 35 -7.898 14.121 5.204 1.00 0.30 N ATOM 571 CA ALA A 35 -8.098 15.242 6.105 1.00 0.36 C ATOM 572 C ALA A 35 -7.071 16.356 5.875 1.00 0.35 C ATOM 573 O ALA A 35 -7.418 17.539 5.867 1.00 0.42 O ATOM 574 CB ALA A 35 -8.046 14.766 7.547 1.00 0.40 C ATOM 0 H ALA A 35 -7.599 13.261 5.664 1.00 0.30 H new ATOM 0 HA ALA A 35 -9.082 15.661 5.896 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.197 15.614 8.216 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -8.830 14.027 7.715 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -7.074 14.315 7.747 1.00 0.40 H new ATOM 580 N GLU A 36 -5.812 15.973 5.686 1.00 0.30 N ATOM 581 CA GLU A 36 -4.719 16.940 5.595 1.00 0.34 C ATOM 582 C GLU A 36 -4.416 17.348 4.155 1.00 0.31 C ATOM 583 O GLU A 36 -4.376 18.536 3.837 1.00 0.41 O ATOM 584 CB GLU A 36 -3.450 16.363 6.233 1.00 0.38 C ATOM 585 CG GLU A 36 -3.572 16.096 7.725 1.00 0.74 C ATOM 586 CD GLU A 36 -3.794 17.360 8.525 1.00 1.25 C ATOM 587 OE1 GLU A 36 -2.811 18.066 8.820 1.00 1.69 O ATOM 588 OE2 GLU A 36 -4.959 17.658 8.863 1.00 1.73 O ATOM 0 H GLU A 36 -5.521 15.000 5.593 1.00 0.30 H new ATOM 0 HA GLU A 36 -5.041 17.832 6.133 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.193 15.432 5.728 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.625 17.055 6.065 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -4.400 15.409 7.901 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -2.667 15.602 8.077 1.00 0.74 H new ATOM 595 N THR A 37 -4.212 16.368 3.280 1.00 0.24 N ATOM 596 CA THR A 37 -3.724 16.648 1.935 1.00 0.26 C ATOM 597 C THR A 37 -4.849 17.135 1.027 1.00 0.28 C ATOM 598 O THR A 37 -4.607 17.761 -0.007 1.00 0.35 O ATOM 599 CB THR A 37 -3.045 15.414 1.290 1.00 0.28 C ATOM 600 OG1 THR A 37 -4.019 14.429 0.936 1.00 0.25 O ATOM 601 CG2 THR A 37 -2.026 14.798 2.239 1.00 0.29 C ATOM 0 H THR A 37 -4.376 15.381 3.476 1.00 0.24 H new ATOM 0 HA THR A 37 -2.978 17.436 2.040 1.00 0.26 H new ATOM 0 HB THR A 37 -2.533 15.752 0.389 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.717 14.397 1.623 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.563 13.933 1.764 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.259 15.535 2.478 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.526 14.484 3.155 1.00 0.29 H new ATOM 609 N GLY A 38 -6.083 16.850 1.429 1.00 0.28 N ATOM 610 CA GLY A 38 -7.223 17.145 0.585 1.00 0.35 C ATOM 611 C GLY A 38 -7.473 16.019 -0.391 1.00 0.35 C ATOM 612 O GLY A 38 -8.448 16.035 -1.147 1.00 0.44 O ATOM 0 H GLY A 38 -6.313 16.420 2.325 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -8.108 17.300 1.202 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -7.048 18.073 0.040 1.00 0.35 H new ATOM 616 N CYS A 39 -6.585 15.038 -0.368 1.00 0.29 N ATOM 617 CA CYS A 39 -6.716 13.868 -1.204 1.00 0.26 C ATOM 618 C CYS A 39 -7.297 12.727 -0.411 1.00 0.35 C ATOM 619 O CYS A 39 -6.687 12.261 0.548 1.00 0.73 O ATOM 620 CB CYS A 39 -5.353 13.460 -1.753 1.00 0.37 C ATOM 621 SG CYS A 39 -5.387 11.963 -2.752 1.00 1.29 S ATOM 0 H CYS A 39 -5.759 15.035 0.230 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.382 14.107 -2.033 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -4.955 14.277 -2.354 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.666 13.313 -0.920 1.00 0.37 H new ATOM 0 HG CYS A 39 -5.958 11.007 -2.081 1.00 1.29 H new ATOM 627 N LYS A 40 -8.461 12.256 -0.818 1.00 0.28 N ATOM 628 CA LYS A 40 -9.036 11.109 -0.176 1.00 0.27 C ATOM 629 C LYS A 40 -8.451 9.866 -0.810 1.00 0.24 C ATOM 630 O LYS A 40 -8.871 9.425 -1.878 1.00 0.26 O ATOM 631 CB LYS A 40 -10.575 11.119 -0.234 1.00 0.35 C ATOM 632 CG LYS A 40 -11.180 11.056 -1.628 1.00 1.07 C ATOM 633 CD LYS A 40 -12.674 10.747 -1.581 1.00 1.36 C ATOM 634 CE LYS A 40 -12.971 9.284 -1.227 1.00 1.62 C ATOM 635 NZ LYS A 40 -12.636 8.942 0.185 1.00 2.51 N ATOM 0 H LYS A 40 -9.013 12.649 -1.580 1.00 0.28 H new ATOM 0 HA LYS A 40 -8.787 11.127 0.885 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -10.948 10.273 0.343 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.934 12.023 0.258 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.021 12.006 -2.137 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -10.668 10.291 -2.213 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -13.151 11.397 -0.848 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -13.118 10.979 -2.549 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -14.028 9.082 -1.402 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -12.407 8.633 -1.895 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -13.353 8.291 0.564 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -11.702 8.486 0.220 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -12.619 9.810 0.758 1.00 2.51 H new ATOM 649 N ILE A 41 -7.439 9.329 -0.172 1.00 0.22 N ATOM 650 CA ILE A 41 -6.790 8.150 -0.684 1.00 0.21 C ATOM 651 C ILE A 41 -7.638 6.946 -0.332 1.00 0.23 C ATOM 652 O ILE A 41 -7.759 6.555 0.830 1.00 0.29 O ATOM 653 CB ILE A 41 -5.353 8.005 -0.134 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.750 6.653 -0.520 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.329 8.189 1.380 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.342 6.454 0.002 1.00 0.25 C ATOM 0 H ILE A 41 -7.049 9.689 0.699 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.697 8.231 -1.767 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.744 8.789 -0.584 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.388 5.856 -0.138 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.744 6.563 -1.606 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.307 8.082 1.743 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.702 9.182 1.632 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -5.961 7.434 1.848 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -2.974 5.476 -0.307 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.691 7.230 -0.401 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.346 6.513 1.090 1.00 0.25 H new ATOM 668 N MET A 42 -8.272 6.391 -1.340 1.00 0.20 N ATOM 669 CA MET A 42 -9.197 5.328 -1.125 1.00 0.21 C ATOM 670 C MET A 42 -8.549 4.050 -1.553 1.00 0.20 C ATOM 671 O MET A 42 -7.951 3.966 -2.626 1.00 0.21 O ATOM 672 CB MET A 42 -10.498 5.555 -1.900 1.00 0.26 C ATOM 673 CG MET A 42 -10.302 5.833 -3.384 1.00 0.29 C ATOM 674 SD MET A 42 -11.862 5.881 -4.284 1.00 0.45 S ATOM 675 CE MET A 42 -11.322 6.515 -5.869 1.00 1.43 C ATOM 0 H MET A 42 -8.156 6.667 -2.315 1.00 0.20 H new ATOM 0 HA MET A 42 -9.458 5.284 -0.068 1.00 0.21 H new ATOM 0 HB2 MET A 42 -11.132 4.676 -1.788 1.00 0.26 H new ATOM 0 HB3 MET A 42 -11.032 6.393 -1.453 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.785 6.784 -3.508 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.661 5.063 -3.814 1.00 0.29 H new ATOM 0 HE1 MET A 42 -12.172 6.948 -6.396 1.00 1.43 H new ATOM 0 HE2 MET A 42 -10.562 7.281 -5.715 1.00 1.43 H new ATOM 0 HE3 MET A 42 -10.903 5.702 -6.462 1.00 1.43 H new ATOM 685 N VAL A 43 -8.640 3.066 -0.713 1.00 0.22 N ATOM 686 CA VAL A 43 -8.116 1.791 -1.051 1.00 0.25 C ATOM 687 C VAL A 43 -9.118 1.105 -1.951 1.00 0.27 C ATOM 688 O VAL A 43 -10.314 1.094 -1.670 1.00 0.41 O ATOM 689 CB VAL A 43 -7.822 0.941 0.191 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.867 -0.176 -0.164 1.00 0.51 C ATOM 691 CG2 VAL A 43 -7.252 1.800 1.313 1.00 0.79 C ATOM 0 H VAL A 43 -9.072 3.127 0.209 1.00 0.22 H new ATOM 0 HA VAL A 43 -7.163 1.916 -1.564 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.756 0.506 0.545 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.663 -0.776 0.723 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -7.314 -0.806 -0.933 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.935 0.247 -0.538 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -7.051 1.175 2.183 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.325 2.266 0.979 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -7.971 2.574 1.580 1.00 0.79 H new ATOM 701 N ARG A 44 -8.638 0.608 -3.061 1.00 0.29 N ATOM 702 CA ARG A 44 -9.479 -0.072 -4.013 1.00 0.31 C ATOM 703 C ARG A 44 -9.000 -1.496 -4.140 1.00 0.38 C ATOM 704 O ARG A 44 -7.985 -1.858 -3.556 1.00 0.71 O ATOM 705 CB ARG A 44 -9.463 0.627 -5.376 1.00 0.33 C ATOM 706 CG ARG A 44 -10.086 2.017 -5.396 1.00 0.37 C ATOM 707 CD ARG A 44 -10.386 2.440 -6.820 1.00 0.50 C ATOM 708 NE ARG A 44 -11.552 3.311 -6.918 1.00 0.56 N ATOM 709 CZ ARG A 44 -12.273 3.450 -8.035 1.00 0.72 C ATOM 710 NH1 ARG A 44 -11.962 2.743 -9.118 1.00 1.26 N ATOM 711 NH2 ARG A 44 -13.308 4.281 -8.061 1.00 1.10 N ATOM 0 H ARG A 44 -7.656 0.663 -3.331 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.510 -0.054 -3.659 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.430 0.704 -5.716 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.989 -0.001 -6.095 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -11.004 2.020 -4.808 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.408 2.733 -4.932 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -9.518 2.955 -7.232 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.549 1.552 -7.431 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.831 3.841 -6.092 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -11.174 2.096 -9.096 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -12.511 2.848 -9.971 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -13.554 4.815 -7.228 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -13.857 4.386 -8.914 1.00 1.10 H new ATOM 725 N GLY A 45 -9.709 -2.310 -4.885 1.00 0.26 N ATOM 726 CA GLY A 45 -9.324 -3.689 -4.963 1.00 0.29 C ATOM 727 C GLY A 45 -9.984 -4.525 -3.902 1.00 0.29 C ATOM 728 O GLY A 45 -10.985 -4.126 -3.302 1.00 0.33 O ATOM 0 H GLY A 45 -10.531 -2.048 -5.429 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.584 -4.082 -5.946 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.241 -3.768 -4.864 1.00 0.29 H new ATOM 732 N LYS A 46 -9.413 -5.689 -3.699 1.00 0.39 N ATOM 733 CA LYS A 46 -9.988 -6.727 -2.873 1.00 0.50 C ATOM 734 C LYS A 46 -10.173 -6.321 -1.408 1.00 0.50 C ATOM 735 O LYS A 46 -9.257 -6.463 -0.598 1.00 0.62 O ATOM 736 CB LYS A 46 -9.081 -7.949 -2.940 1.00 0.74 C ATOM 737 CG LYS A 46 -9.818 -9.261 -2.821 1.00 0.90 C ATOM 738 CD LYS A 46 -10.824 -9.422 -3.951 1.00 0.94 C ATOM 739 CE LYS A 46 -10.212 -9.072 -5.304 1.00 0.72 C ATOM 740 NZ LYS A 46 -11.232 -9.080 -6.381 1.00 1.45 N ATOM 0 H LYS A 46 -8.517 -5.947 -4.112 1.00 0.39 H new ATOM 0 HA LYS A 46 -10.985 -6.934 -3.263 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -8.535 -7.934 -3.883 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -8.341 -7.885 -2.142 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -9.106 -10.086 -2.842 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -10.332 -9.308 -1.861 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -11.188 -10.449 -3.971 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -11.686 -8.782 -3.765 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -9.746 -8.088 -5.250 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -9.423 -9.785 -5.543 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -10.805 -8.740 -7.266 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -11.586 -10.048 -6.517 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -12.021 -8.457 -6.116 1.00 1.45 H new ATOM 754 N GLY A 47 -11.348 -5.796 -1.082 1.00 0.57 N ATOM 755 CA GLY A 47 -11.764 -5.759 0.302 1.00 0.68 C ATOM 756 C GLY A 47 -11.301 -4.548 1.078 1.00 0.51 C ATOM 757 O GLY A 47 -10.701 -4.690 2.139 1.00 0.60 O ATOM 0 H GLY A 47 -12.013 -5.399 -1.746 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -12.853 -5.801 0.339 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -11.393 -6.654 0.801 1.00 0.68 H new ATOM 761 N SER A 48 -11.615 -3.368 0.586 1.00 0.54 N ATOM 762 CA SER A 48 -11.139 -2.138 1.208 1.00 0.72 C ATOM 763 C SER A 48 -11.954 -1.770 2.459 1.00 1.02 C ATOM 764 O SER A 48 -11.426 -1.731 3.565 1.00 1.43 O ATOM 765 CB SER A 48 -11.241 -1.020 0.185 1.00 0.82 C ATOM 766 OG SER A 48 -11.104 -1.538 -1.130 1.00 1.31 O ATOM 0 H SER A 48 -12.196 -3.228 -0.241 1.00 0.54 H new ATOM 0 HA SER A 48 -10.108 -2.285 1.528 1.00 0.72 H new ATOM 0 HB2 SER A 48 -12.201 -0.514 0.285 1.00 0.82 H new ATOM 0 HB3 SER A 48 -10.467 -0.276 0.372 1.00 0.82 H new ATOM 0 HG SER A 48 -11.610 -0.979 -1.756 1.00 1.31 H new ATOM 772 N MET A 49 -13.245 -1.520 2.274 1.00 1.18 N ATOM 773 CA MET A 49 -14.137 -1.158 3.369 1.00 1.58 C ATOM 774 C MET A 49 -15.301 -2.135 3.408 1.00 1.30 C ATOM 775 O MET A 49 -16.427 -1.768 3.733 1.00 1.70 O ATOM 776 CB MET A 49 -14.621 0.301 3.262 1.00 2.49 C ATOM 777 CG MET A 49 -15.288 0.662 1.943 1.00 3.25 C ATOM 778 SD MET A 49 -14.115 0.867 0.583 1.00 4.35 S ATOM 779 CE MET A 49 -13.193 2.297 1.145 1.00 5.15 C ATOM 0 H MET A 49 -13.702 -1.562 1.363 1.00 1.18 H new ATOM 0 HA MET A 49 -13.585 -1.224 4.307 1.00 1.58 H new ATOM 0 HB2 MET A 49 -15.324 0.495 4.072 1.00 2.49 H new ATOM 0 HB3 MET A 49 -13.768 0.963 3.414 1.00 2.49 H new ATOM 0 HG2 MET A 49 -16.005 -0.116 1.681 1.00 3.25 H new ATOM 0 HG3 MET A 49 -15.852 1.586 2.070 1.00 3.25 H new ATOM 0 HE1 MET A 49 -12.749 2.803 0.288 1.00 5.15 H new ATOM 0 HE2 MET A 49 -13.864 2.982 1.664 1.00 5.15 H new ATOM 0 HE3 MET A 49 -12.404 1.977 1.826 1.00 5.15 H new ATOM 789 N ARG A 50 -14.988 -3.377 3.039 1.00 0.89 N ATOM 790 CA ARG A 50 -15.947 -4.487 2.899 1.00 1.28 C ATOM 791 C ARG A 50 -16.626 -4.879 4.234 1.00 1.22 C ATOM 792 O ARG A 50 -17.013 -6.031 4.439 1.00 1.55 O ATOM 793 CB ARG A 50 -15.201 -5.677 2.279 1.00 1.65 C ATOM 794 CG ARG A 50 -16.070 -6.878 1.945 1.00 2.14 C ATOM 795 CD ARG A 50 -15.321 -7.870 1.077 1.00 2.26 C ATOM 796 NE ARG A 50 -13.993 -8.187 1.610 1.00 3.05 N ATOM 797 CZ ARG A 50 -13.226 -9.180 1.160 1.00 3.84 C ATOM 798 NH1 ARG A 50 -13.680 -10.007 0.227 1.00 4.04 N ATOM 799 NH2 ARG A 50 -12.014 -9.354 1.667 1.00 4.74 N ATOM 0 H ARG A 50 -14.031 -3.653 2.821 1.00 0.89 H new ATOM 0 HA ARG A 50 -16.763 -4.165 2.252 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -14.706 -5.341 1.368 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -14.418 -5.994 2.968 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -16.391 -7.366 2.866 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -16.971 -6.546 1.429 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -15.904 -8.787 0.992 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -15.218 -7.463 0.071 1.00 2.26 H new ATOM 0 HE ARG A 50 -13.634 -7.612 2.372 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -14.620 -9.885 -0.149 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -13.089 -10.765 -0.114 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -11.672 -8.730 2.398 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -11.423 -10.112 1.326 1.00 4.74 H new ATOM 813 N ASP A 51 -16.750 -3.919 5.137 1.00 0.99 N ATOM 814 CA ASP A 51 -17.438 -4.108 6.409 1.00 1.15 C ATOM 815 C ASP A 51 -18.833 -4.685 6.186 1.00 1.27 C ATOM 816 O ASP A 51 -19.497 -4.351 5.205 1.00 1.24 O ATOM 817 CB ASP A 51 -17.563 -2.763 7.124 1.00 1.25 C ATOM 818 CG ASP A 51 -16.437 -2.483 8.097 1.00 1.85 C ATOM 819 OD1 ASP A 51 -16.361 -3.172 9.136 1.00 1.97 O ATOM 820 OD2 ASP A 51 -15.642 -1.551 7.840 1.00 2.67 O ATOM 0 H ASP A 51 -16.374 -2.979 5.009 1.00 0.99 H new ATOM 0 HA ASP A 51 -16.860 -4.805 7.016 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -17.594 -1.967 6.380 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -18.511 -2.734 7.661 1.00 1.25 H new ATOM 825 N LYS A 52 -19.286 -5.540 7.096 1.00 1.46 N ATOM 826 CA LYS A 52 -20.615 -6.129 6.980 1.00 1.63 C ATOM 827 C LYS A 52 -21.684 -5.061 7.142 1.00 1.60 C ATOM 828 O LYS A 52 -22.790 -5.173 6.617 1.00 1.65 O ATOM 829 CB LYS A 52 -20.825 -7.242 8.004 1.00 1.89 C ATOM 830 CG LYS A 52 -20.053 -8.513 7.690 1.00 2.13 C ATOM 831 CD LYS A 52 -20.549 -9.685 8.524 1.00 2.73 C ATOM 832 CE LYS A 52 -22.013 -10.001 8.235 1.00 3.39 C ATOM 833 NZ LYS A 52 -22.231 -10.437 6.828 1.00 4.02 N ATOM 0 H LYS A 52 -18.758 -5.839 7.916 1.00 1.46 H new ATOM 0 HA LYS A 52 -20.697 -6.567 5.985 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -20.527 -6.880 8.988 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -21.888 -7.477 8.060 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -20.154 -8.750 6.631 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -18.992 -8.352 7.881 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -19.939 -10.564 8.316 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -20.428 -9.456 9.583 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -22.354 -10.784 8.912 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -22.620 -9.118 8.437 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -23.240 -10.640 6.680 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -21.931 -9.681 6.180 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -21.674 -11.295 6.640 1.00 4.02 H new ATOM 847 N LYS A 53 -21.345 -4.015 7.860 1.00 1.58 N ATOM 848 CA LYS A 53 -22.231 -2.877 7.982 1.00 1.61 C ATOM 849 C LYS A 53 -22.379 -2.210 6.623 1.00 1.43 C ATOM 850 O LYS A 53 -23.459 -1.742 6.259 1.00 1.45 O ATOM 851 CB LYS A 53 -21.688 -1.895 9.015 1.00 1.70 C ATOM 852 CG LYS A 53 -20.281 -1.411 8.709 1.00 1.61 C ATOM 853 CD LYS A 53 -19.621 -0.776 9.922 1.00 1.81 C ATOM 854 CE LYS A 53 -20.340 0.482 10.376 1.00 2.29 C ATOM 855 NZ LYS A 53 -19.700 1.080 11.577 1.00 2.51 N ATOM 0 H LYS A 53 -20.465 -3.927 8.368 1.00 1.58 H new ATOM 0 HA LYS A 53 -23.212 -3.211 8.320 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -22.355 -1.035 9.073 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -21.695 -2.371 9.996 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -19.676 -2.250 8.365 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -20.316 -0.687 7.895 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -19.601 -1.496 10.740 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -18.585 -0.534 9.684 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -20.344 1.211 9.565 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -21.381 0.246 10.598 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -20.219 1.937 11.857 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -19.718 0.394 12.358 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -18.714 1.329 11.358 1.00 2.51 H new ATOM 869 N LYS A 54 -21.290 -2.208 5.856 1.00 1.31 N ATOM 870 CA LYS A 54 -21.299 -1.632 4.527 1.00 1.17 C ATOM 871 C LYS A 54 -22.170 -2.465 3.604 1.00 1.19 C ATOM 872 O LYS A 54 -23.041 -1.938 2.928 1.00 1.21 O ATOM 873 CB LYS A 54 -19.888 -1.533 3.950 1.00 1.09 C ATOM 874 CG LYS A 54 -19.416 -0.104 3.737 1.00 1.22 C ATOM 875 CD LYS A 54 -18.954 0.533 5.035 1.00 1.37 C ATOM 876 CE LYS A 54 -18.224 1.841 4.779 1.00 1.53 C ATOM 877 NZ LYS A 54 -17.772 2.482 6.041 1.00 2.16 N ATOM 0 H LYS A 54 -20.393 -2.601 6.139 1.00 1.31 H new ATOM 0 HA LYS A 54 -21.706 -0.624 4.605 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -19.194 -2.040 4.621 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.856 -2.063 2.998 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -18.599 -0.094 3.016 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -20.226 0.487 3.309 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -19.814 0.714 5.680 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -18.296 -0.155 5.566 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -17.362 1.656 4.138 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -18.881 2.524 4.241 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -17.279 3.371 5.822 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -18.596 2.683 6.643 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -17.124 1.842 6.543 1.00 2.16 H new ATOM 891 N GLU A 55 -21.961 -3.774 3.606 1.00 1.26 N ATOM 892 CA GLU A 55 -22.723 -4.658 2.734 1.00 1.33 C ATOM 893 C GLU A 55 -24.219 -4.574 3.021 1.00 1.46 C ATOM 894 O GLU A 55 -25.038 -4.967 2.198 1.00 1.53 O ATOM 895 CB GLU A 55 -22.258 -6.111 2.841 1.00 1.44 C ATOM 896 CG GLU A 55 -22.262 -6.637 4.255 1.00 1.58 C ATOM 897 CD GLU A 55 -22.568 -8.117 4.344 1.00 1.79 C ATOM 898 OE1 GLU A 55 -23.751 -8.497 4.206 1.00 1.96 O ATOM 899 OE2 GLU A 55 -21.628 -8.912 4.540 1.00 2.05 O ATOM 0 H GLU A 55 -21.276 -4.245 4.197 1.00 1.26 H new ATOM 0 HA GLU A 55 -22.540 -4.315 1.716 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -22.904 -6.738 2.226 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -21.251 -6.194 2.433 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -21.289 -6.447 4.709 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -22.999 -6.085 4.838 1.00 1.58 H new ATOM 906 N GLU A 56 -24.577 -4.104 4.204 1.00 1.51 N ATOM 907 CA GLU A 56 -25.981 -3.908 4.529 1.00 1.64 C ATOM 908 C GLU A 56 -26.535 -2.677 3.817 1.00 1.57 C ATOM 909 O GLU A 56 -27.431 -2.779 2.984 1.00 1.62 O ATOM 910 CB GLU A 56 -26.193 -3.765 6.038 1.00 1.78 C ATOM 911 CG GLU A 56 -25.776 -4.987 6.834 1.00 1.87 C ATOM 912 CD GLU A 56 -26.258 -4.936 8.266 1.00 2.05 C ATOM 913 OE1 GLU A 56 -26.037 -3.910 8.940 1.00 2.40 O ATOM 914 OE2 GLU A 56 -26.863 -5.927 8.725 1.00 2.33 O ATOM 0 H GLU A 56 -23.925 -3.854 4.947 1.00 1.51 H new ATOM 0 HA GLU A 56 -26.517 -4.793 4.187 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -25.631 -2.902 6.394 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -27.246 -3.560 6.230 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -26.170 -5.882 6.353 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -24.689 -5.071 6.822 1.00 1.87 H new ATOM 921 N GLN A 57 -25.982 -1.518 4.135 1.00 1.48 N ATOM 922 CA GLN A 57 -26.556 -0.248 3.690 1.00 1.47 C ATOM 923 C GLN A 57 -25.764 0.416 2.557 1.00 1.36 C ATOM 924 O GLN A 57 -26.330 1.133 1.736 1.00 1.40 O ATOM 925 CB GLN A 57 -26.701 0.684 4.898 1.00 1.55 C ATOM 926 CG GLN A 57 -25.505 0.668 5.842 1.00 1.59 C ATOM 927 CD GLN A 57 -24.290 1.390 5.296 1.00 1.75 C ATOM 928 OE1 GLN A 57 -24.407 2.405 4.617 1.00 2.37 O ATOM 929 NE2 GLN A 57 -23.117 0.830 5.534 1.00 1.85 N ATOM 0 H GLN A 57 -25.137 -1.425 4.699 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.537 -0.457 3.264 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -26.855 1.702 4.541 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -27.594 0.403 5.456 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -25.794 1.125 6.788 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -25.236 -0.366 6.057 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -23.061 -0.014 6.104 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -22.267 1.242 5.148 1.00 1.85 H new ATOM 938 N ASN A 58 -24.466 0.164 2.503 1.00 1.27 N ATOM 939 CA ASN A 58 -23.589 0.794 1.515 1.00 1.21 C ATOM 940 C ASN A 58 -23.218 -0.227 0.439 1.00 1.16 C ATOM 941 O ASN A 58 -22.298 -0.033 -0.352 1.00 1.13 O ATOM 942 CB ASN A 58 -22.340 1.353 2.214 1.00 1.21 C ATOM 943 CG ASN A 58 -21.568 2.351 1.367 1.00 1.55 C ATOM 944 OD1 ASN A 58 -20.637 1.987 0.655 1.00 2.20 O ATOM 945 ND2 ASN A 58 -21.941 3.622 1.447 1.00 1.95 N ATOM 0 H ASN A 58 -23.988 -0.478 3.136 1.00 1.27 H new ATOM 0 HA ASN A 58 -24.105 1.624 1.033 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -22.639 1.833 3.146 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -21.681 0.526 2.479 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -21.449 4.333 0.906 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -22.720 3.888 2.050 1.00 1.95 H new ATOM 952 N ARG A 59 -23.952 -1.331 0.436 1.00 1.20 N ATOM 953 CA ARG A 59 -23.793 -2.371 -0.570 1.00 1.22 C ATOM 954 C ARG A 59 -24.007 -1.815 -1.976 1.00 1.19 C ATOM 955 O ARG A 59 -24.867 -0.958 -2.199 1.00 1.24 O ATOM 956 CB ARG A 59 -24.773 -3.512 -0.318 1.00 1.36 C ATOM 957 CG ARG A 59 -26.235 -3.090 -0.307 1.00 1.47 C ATOM 958 CD ARG A 59 -27.150 -4.270 -0.019 1.00 1.69 C ATOM 959 NE ARG A 59 -26.945 -5.364 -0.965 1.00 2.08 N ATOM 960 CZ ARG A 59 -27.185 -6.646 -0.688 1.00 2.67 C ATOM 961 NH1 ARG A 59 -27.641 -6.999 0.507 1.00 2.95 N ATOM 962 NH2 ARG A 59 -26.963 -7.572 -1.608 1.00 3.45 N ATOM 0 H ARG A 59 -24.673 -1.530 1.129 1.00 1.20 H new ATOM 0 HA ARG A 59 -22.773 -2.749 -0.496 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -24.632 -4.273 -1.086 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -24.534 -3.977 0.639 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -26.387 -2.317 0.447 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -26.496 -2.651 -1.270 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -26.971 -4.629 0.995 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -28.189 -3.943 -0.063 1.00 1.69 H new ATOM 0 HE ARG A 59 -26.597 -5.133 -1.895 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -27.810 -6.288 1.219 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -27.823 -7.981 0.714 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -26.609 -7.304 -2.526 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -27.146 -8.553 -1.398 1.00 3.45 H new ATOM 976 N GLY A 60 -23.217 -2.306 -2.916 1.00 1.15 N ATOM 977 CA GLY A 60 -23.314 -1.847 -4.290 1.00 1.15 C ATOM 978 C GLY A 60 -22.581 -0.538 -4.518 1.00 1.07 C ATOM 979 O GLY A 60 -22.580 0.001 -5.623 1.00 1.09 O ATOM 0 H GLY A 60 -22.505 -3.018 -2.754 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.906 -2.609 -4.954 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -24.364 -1.723 -4.555 1.00 1.15 H new ATOM 983 N LYS A 61 -21.964 -0.023 -3.467 1.00 1.00 N ATOM 984 CA LYS A 61 -21.214 1.224 -3.535 1.00 0.95 C ATOM 985 C LYS A 61 -19.731 0.961 -3.790 1.00 0.80 C ATOM 986 O LYS A 61 -19.315 -0.193 -3.787 1.00 0.77 O ATOM 987 CB LYS A 61 -21.414 2.056 -2.266 1.00 1.04 C ATOM 988 CG LYS A 61 -22.582 3.031 -2.352 1.00 1.55 C ATOM 989 CD LYS A 61 -23.918 2.316 -2.471 1.00 2.06 C ATOM 990 CE LYS A 61 -25.043 3.284 -2.807 1.00 2.55 C ATOM 991 NZ LYS A 61 -25.125 4.405 -1.835 1.00 3.16 N ATOM 0 H LYS A 61 -21.968 -0.456 -2.543 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.600 1.799 -4.376 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -21.574 1.384 -1.423 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -20.501 2.614 -2.060 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -22.589 3.666 -1.466 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -22.444 3.686 -3.212 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -23.854 1.550 -3.243 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -24.143 1.806 -1.534 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -24.889 3.684 -3.809 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -25.991 2.747 -2.821 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -26.008 4.933 -1.987 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -25.110 4.026 -0.866 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -24.314 5.042 -1.970 1.00 3.16 H new ATOM 1005 N PRO A 62 -18.947 2.030 -4.102 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.505 1.987 -4.397 1.00 0.66 C ATOM 1007 C PRO A 62 -16.704 0.836 -3.777 1.00 0.58 C ATOM 1008 O PRO A 62 -15.782 0.328 -4.404 1.00 0.51 O ATOM 1009 CB PRO A 62 -17.043 3.320 -3.818 1.00 0.70 C ATOM 1010 CG PRO A 62 -18.166 4.257 -4.112 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.421 3.421 -4.249 1.00 0.85 C ATOM 0 HA PRO A 62 -17.339 1.822 -5.462 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -16.857 3.245 -2.747 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -16.114 3.654 -4.280 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -18.276 4.989 -3.312 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -17.973 4.814 -5.029 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -20.154 3.675 -3.484 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -19.901 3.578 -5.215 1.00 0.85 H new ATOM 1019 N ASN A 63 -17.077 0.384 -2.595 1.00 0.64 N ATOM 1020 CA ASN A 63 -16.329 -0.677 -1.926 1.00 0.63 C ATOM 1021 C ASN A 63 -16.438 -1.950 -2.722 1.00 0.56 C ATOM 1022 O ASN A 63 -15.488 -2.718 -2.824 1.00 0.51 O ATOM 1023 CB ASN A 63 -16.792 -0.944 -0.482 1.00 0.79 C ATOM 1024 CG ASN A 63 -18.187 -0.453 -0.119 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -18.502 0.783 -0.455 1.00 1.93 O flip ATOM 1026 ND2 ASN A 63 -18.944 -1.162 0.536 1.00 1.06 N flip ATOM 0 H ASN A 63 -17.886 0.728 -2.077 1.00 0.64 H new ATOM 0 HA ASN A 63 -15.295 -0.335 -1.869 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -16.750 -2.018 -0.302 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -16.078 -0.479 0.198 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -18.669 -2.114 0.779 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -19.848 -0.800 0.838 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.599 -2.140 -3.298 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.859 -3.272 -4.144 1.00 0.62 C ATOM 1035 C TRP A 64 -17.502 -2.920 -5.565 1.00 0.60 C ATOM 1036 O TRP A 64 -17.099 -3.777 -6.333 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.321 -3.668 -4.046 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.770 -3.679 -2.629 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -20.388 -2.672 -1.960 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -19.571 -4.730 -1.686 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -20.603 -3.033 -0.660 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -20.107 -4.297 -0.463 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -19.000 -6.002 -1.762 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -20.076 -5.091 0.677 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -18.970 -6.787 -0.628 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -19.507 -6.330 0.578 1.00 1.18 C ATOM 0 H TRP A 64 -18.393 -1.509 -3.191 1.00 0.61 H new ATOM 0 HA TRP A 64 -17.252 -4.118 -3.822 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.931 -2.970 -4.620 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.466 -4.655 -4.486 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -20.669 -1.723 -2.393 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -21.058 -2.457 0.048 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -18.589 -6.365 -2.692 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -20.488 -4.740 1.612 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -18.525 -7.770 -0.673 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -19.472 -6.968 1.449 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.646 -1.636 -5.886 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.277 -1.102 -7.192 1.00 0.55 C ATOM 1059 C GLU A 65 -15.855 -1.500 -7.560 1.00 0.48 C ATOM 1060 O GLU A 65 -15.591 -1.991 -8.651 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.396 0.428 -7.184 1.00 0.59 C ATOM 1062 CG GLU A 65 -16.241 1.146 -7.880 1.00 0.69 C ATOM 1063 CD GLU A 65 -15.939 2.495 -7.267 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -16.572 3.490 -7.667 1.00 1.59 O ATOM 1065 OE2 GLU A 65 -15.065 2.564 -6.372 1.00 1.28 O ATOM 0 H GLU A 65 -18.023 -0.937 -5.246 1.00 0.57 H new ATOM 0 HA GLU A 65 -17.958 -1.518 -7.935 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.331 0.712 -7.668 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.454 0.772 -6.151 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -15.349 0.522 -7.832 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -16.482 1.277 -8.935 1.00 0.69 H new ATOM 1072 N HIS A 66 -14.938 -1.256 -6.647 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.539 -1.527 -6.898 1.00 0.38 C ATOM 1074 C HIS A 66 -13.102 -2.855 -6.296 1.00 0.36 C ATOM 1075 O HIS A 66 -11.947 -3.239 -6.415 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.665 -0.376 -6.398 1.00 0.38 C ATOM 1077 CG HIS A 66 -12.860 -0.012 -4.962 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -13.183 1.259 -4.550 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.697 -0.740 -3.840 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -13.205 1.299 -3.232 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -12.911 0.096 -2.769 1.00 0.47 N ATOM 0 H HIS A 66 -15.137 -0.870 -5.724 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.409 -1.608 -7.977 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.619 -0.641 -6.551 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -12.864 0.504 -7.010 1.00 0.38 H new ATOM 0 HD1 HIS A 66 -13.376 2.048 -5.167 1.00 0.47 H new ATOM 0 HD2 HIS A 66 -12.444 -1.789 -3.791 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.426 2.169 -2.631 1.00 0.52 H new ATOM 1090 N LEU A 67 -14.024 -3.558 -5.644 1.00 0.38 N ATOM 1091 CA LEU A 67 -13.710 -4.860 -5.053 1.00 0.40 C ATOM 1092 C LEU A 67 -13.464 -5.877 -6.160 1.00 0.41 C ATOM 1093 O LEU A 67 -12.840 -6.917 -5.957 1.00 0.43 O ATOM 1094 CB LEU A 67 -14.850 -5.324 -4.142 1.00 0.48 C ATOM 1095 CG LEU A 67 -14.422 -6.027 -2.850 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -15.593 -6.119 -1.893 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -13.874 -7.418 -3.131 1.00 1.59 C ATOM 0 H LEU A 67 -14.988 -3.253 -5.511 1.00 0.38 H new ATOM 0 HA LEU A 67 -12.808 -4.768 -4.447 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.456 -4.457 -3.879 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -15.490 -6.001 -4.708 1.00 0.48 H new ATOM 0 HG LEU A 67 -13.628 -5.435 -2.395 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -15.277 -6.621 -0.978 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -15.947 -5.116 -1.653 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -16.399 -6.687 -2.358 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -13.579 -7.889 -2.193 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -14.643 -8.021 -3.615 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -13.007 -7.342 -3.787 1.00 1.59 H new ATOM 1109 N ASN A 68 -13.941 -5.540 -7.343 1.00 0.43 N ATOM 1110 CA ASN A 68 -13.749 -6.378 -8.519 1.00 0.47 C ATOM 1111 C ASN A 68 -12.452 -6.004 -9.232 1.00 0.44 C ATOM 1112 O ASN A 68 -12.161 -6.488 -10.327 1.00 0.52 O ATOM 1113 CB ASN A 68 -14.955 -6.294 -9.467 1.00 0.57 C ATOM 1114 CG ASN A 68 -15.556 -4.903 -9.557 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -16.522 -4.623 -8.684 1.00 1.86 O flip ATOM 1116 ND2 ASN A 68 -15.171 -4.099 -10.406 1.00 0.58 N flip ATOM 0 H ASN A 68 -14.469 -4.685 -7.519 1.00 0.43 H new ATOM 0 HA ASN A 68 -13.669 -7.414 -8.191 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -14.648 -6.614 -10.463 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -15.722 -6.992 -9.130 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -14.427 -4.359 -11.054 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -15.596 -3.173 -10.461 1.00 0.58 H new ATOM 1123 N GLU A 69 -11.686 -5.128 -8.596 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.326 -4.827 -9.024 1.00 0.37 C ATOM 1125 C GLU A 69 -9.346 -5.568 -8.118 1.00 0.32 C ATOM 1126 O GLU A 69 -9.759 -6.310 -7.219 1.00 0.35 O ATOM 1127 CB GLU A 69 -10.040 -3.320 -8.940 1.00 0.38 C ATOM 1128 CG GLU A 69 -11.023 -2.441 -9.700 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.728 -0.960 -9.523 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -10.354 -0.555 -8.403 1.00 1.85 O ATOM 1131 OE2 GLU A 69 -10.864 -0.192 -10.501 1.00 1.39 O ATOM 0 H GLU A 69 -11.988 -4.608 -7.772 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.210 -5.145 -10.060 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.043 -3.022 -7.892 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -9.036 -3.133 -9.322 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -10.987 -2.692 -10.760 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -12.036 -2.651 -9.356 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.058 -5.361 -8.342 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.030 -5.925 -7.473 1.00 0.30 C ATOM 1140 C ASP A 70 -6.677 -4.931 -6.387 1.00 0.22 C ATOM 1141 O ASP A 70 -6.693 -3.718 -6.624 1.00 0.24 O ATOM 1142 CB ASP A 70 -5.778 -6.313 -8.256 1.00 0.41 C ATOM 1143 CG ASP A 70 -4.726 -6.991 -7.394 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -4.972 -8.119 -6.932 1.00 1.21 O ATOM 1145 OD2 ASP A 70 -3.661 -6.376 -7.153 1.00 1.10 O ATOM 0 H ASP A 70 -7.697 -4.807 -9.118 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.431 -6.833 -7.023 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.058 -6.981 -9.071 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.348 -5.420 -8.709 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.392 -5.451 -5.198 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.129 -4.626 -4.026 1.00 0.17 C ATOM 1152 C LEU A 71 -5.058 -3.578 -4.330 1.00 0.17 C ATOM 1153 O LEU A 71 -3.915 -3.908 -4.603 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.644 -5.497 -2.869 1.00 0.19 C ATOM 1155 CG LEU A 71 -6.434 -5.332 -1.580 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -5.628 -5.821 -0.388 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -6.858 -3.886 -1.413 1.00 0.79 C ATOM 0 H LEU A 71 -6.337 -6.454 -5.020 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.058 -4.126 -3.754 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -5.687 -6.542 -3.175 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.597 -5.266 -2.671 1.00 0.19 H new ATOM 0 HG LEU A 71 -7.334 -5.944 -1.635 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.212 -5.694 0.523 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -5.387 -6.876 -0.520 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -4.706 -5.245 -0.311 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -7.423 -3.777 -0.487 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -5.974 -3.250 -1.375 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -7.482 -3.590 -2.256 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.437 -2.317 -4.334 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.474 -1.254 -4.561 1.00 0.17 C ATOM 1171 C HIS A 72 -4.852 -0.007 -3.779 1.00 0.17 C ATOM 1172 O HIS A 72 -5.980 0.130 -3.319 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.348 -0.931 -6.055 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.564 -0.305 -6.676 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.581 -1.042 -7.233 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -5.900 0.995 -6.864 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.483 -0.227 -7.740 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.096 1.015 -7.533 1.00 0.29 N ATOM 0 H HIS A 72 -6.396 -2.002 -4.184 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.504 -1.604 -4.207 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.501 -0.260 -6.196 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -4.118 -1.851 -6.592 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.630 -2.061 -7.251 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.331 1.856 -6.545 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.390 -0.528 -8.243 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.918 0.912 -3.671 1.00 0.19 N ATOM 1188 CA VAL A 73 -4.176 2.179 -3.010 1.00 0.19 C ATOM 1189 C VAL A 73 -4.303 3.265 -4.062 1.00 0.20 C ATOM 1190 O VAL A 73 -3.546 3.291 -5.031 1.00 0.28 O ATOM 1191 CB VAL A 73 -3.080 2.547 -1.980 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -3.070 1.548 -0.831 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.706 2.622 -2.633 1.00 0.29 C ATOM 0 H VAL A 73 -2.970 0.808 -4.032 1.00 0.19 H new ATOM 0 HA VAL A 73 -5.106 2.085 -2.449 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.315 3.535 -1.583 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.294 1.822 -0.117 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -4.040 1.556 -0.333 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.870 0.549 -1.219 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.960 2.882 -1.882 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.458 1.655 -3.071 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.715 3.382 -3.414 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.284 4.123 -3.907 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.545 5.143 -4.899 1.00 0.18 C ATOM 1205 C LEU A 74 -5.696 6.488 -4.227 1.00 0.18 C ATOM 1206 O LEU A 74 -6.621 6.716 -3.452 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.797 4.749 -5.718 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.185 5.653 -6.902 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -8.293 5.001 -7.706 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -7.651 7.025 -6.452 1.00 0.80 C ATOM 0 H LEU A 74 -5.914 4.136 -3.105 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.706 5.223 -5.591 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.645 3.740 -6.101 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.646 4.706 -5.035 1.00 0.22 H new ATOM 0 HG LEU A 74 -6.291 5.782 -7.512 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -8.563 5.646 -8.542 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -7.949 4.039 -8.086 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -9.164 4.849 -7.069 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -7.913 7.624 -7.324 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.524 6.920 -5.808 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -6.851 7.518 -5.900 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.762 7.368 -4.529 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.829 8.729 -4.054 1.00 0.18 C ATOM 1224 C ILE A 75 -5.723 9.538 -4.972 1.00 0.18 C ATOM 1225 O ILE A 75 -5.390 9.795 -6.131 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.433 9.382 -3.974 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.541 8.880 -5.112 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -2.799 9.116 -2.621 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.255 9.654 -5.264 1.00 0.30 C ATOM 0 H ILE A 75 -3.946 7.160 -5.104 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.241 8.713 -3.045 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.545 10.460 -4.086 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.304 7.830 -4.939 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -3.098 8.931 -6.048 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -1.815 9.584 -2.582 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.430 9.532 -1.835 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.696 8.041 -2.472 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.677 9.240 -6.090 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.482 10.700 -5.469 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.676 9.582 -4.343 1.00 0.30 H new ATOM 1241 N THR A 76 -6.877 9.898 -4.454 1.00 0.17 N ATOM 1242 CA THR A 76 -7.844 10.656 -5.212 1.00 0.20 C ATOM 1243 C THR A 76 -7.872 12.098 -4.763 1.00 0.19 C ATOM 1244 O THR A 76 -8.309 12.409 -3.655 1.00 0.22 O ATOM 1245 CB THR A 76 -9.244 10.051 -5.053 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.166 8.795 -4.371 1.00 0.25 O ATOM 1247 CG2 THR A 76 -9.883 9.839 -6.400 1.00 0.31 C ATOM 0 H THR A 76 -7.169 9.675 -3.502 1.00 0.17 H new ATOM 0 HA THR A 76 -7.548 10.616 -6.260 1.00 0.20 H new ATOM 0 HB THR A 76 -9.849 10.746 -4.471 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.339 8.930 -3.416 1.00 0.25 H new ATOM 0 HG21 THR A 76 -10.876 9.409 -6.268 1.00 0.31 H new ATOM 0 HG22 THR A 76 -9.967 10.795 -6.917 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.269 9.159 -6.991 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.408 12.971 -5.623 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.356 14.373 -5.313 1.00 0.25 C ATOM 1257 C VAL A 77 -8.244 15.141 -6.274 1.00 0.33 C ATOM 1258 O VAL A 77 -8.135 15.001 -7.493 1.00 0.44 O ATOM 1259 CB VAL A 77 -5.904 14.905 -5.386 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.334 14.802 -6.795 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -5.823 16.330 -4.875 1.00 0.86 C ATOM 0 H VAL A 77 -7.059 12.729 -6.550 1.00 0.23 H new ATOM 0 HA VAL A 77 -7.716 14.516 -4.294 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.294 14.273 -4.740 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.314 15.185 -6.804 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -5.332 13.759 -7.111 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -5.948 15.388 -7.479 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -4.793 16.681 -4.937 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.462 16.971 -5.483 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.156 16.364 -3.838 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.173 15.907 -5.740 1.00 0.37 N ATOM 1272 CA GLU A 78 -9.970 16.754 -6.588 1.00 0.50 C ATOM 1273 C GLU A 78 -9.311 18.117 -6.658 1.00 0.63 C ATOM 1274 O GLU A 78 -9.603 19.001 -5.855 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.401 16.856 -6.064 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.070 15.502 -5.908 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.566 15.607 -5.735 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -14.284 15.645 -6.753 1.00 1.55 O ATOM 1279 OE2 GLU A 78 -14.031 15.659 -4.578 1.00 1.63 O ATOM 0 H GLU A 78 -9.388 15.958 -4.744 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.028 16.327 -7.589 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.394 17.366 -5.101 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.989 17.470 -6.746 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -11.852 14.891 -6.784 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -11.644 14.988 -5.046 1.00 0.62 H new ATOM 1286 N ASP A 79 -8.415 18.250 -7.631 1.00 0.66 N ATOM 1287 CA ASP A 79 -7.602 19.449 -7.819 1.00 0.84 C ATOM 1288 C ASP A 79 -6.474 19.115 -8.786 1.00 0.75 C ATOM 1289 O ASP A 79 -5.805 18.093 -8.631 1.00 1.08 O ATOM 1290 CB ASP A 79 -7.010 19.942 -6.492 1.00 1.20 C ATOM 1291 CG ASP A 79 -6.498 21.362 -6.579 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -7.333 22.289 -6.660 1.00 2.05 O ATOM 1293 OD2 ASP A 79 -5.269 21.559 -6.556 1.00 1.81 O ATOM 0 H ASP A 79 -8.230 17.520 -8.320 1.00 0.66 H new ATOM 0 HA ASP A 79 -8.233 20.244 -8.216 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -7.770 19.880 -5.713 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -6.195 19.283 -6.194 1.00 1.20 H new ATOM 1298 N ALA A 80 -6.274 19.953 -9.787 1.00 0.91 N ATOM 1299 CA ALA A 80 -5.289 19.672 -10.827 1.00 1.17 C ATOM 1300 C ALA A 80 -3.970 20.395 -10.571 1.00 1.09 C ATOM 1301 O ALA A 80 -3.130 20.503 -11.464 1.00 1.60 O ATOM 1302 CB ALA A 80 -5.849 20.060 -12.189 1.00 1.85 C ATOM 0 H ALA A 80 -6.777 20.833 -9.906 1.00 0.91 H new ATOM 0 HA ALA A 80 -5.082 18.602 -10.811 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -5.109 19.848 -12.961 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -6.754 19.486 -12.387 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -6.085 21.124 -12.196 1.00 1.85 H new ATOM 1308 N GLN A 81 -3.773 20.870 -9.350 1.00 1.04 N ATOM 1309 CA GLN A 81 -2.587 21.651 -9.035 1.00 1.65 C ATOM 1310 C GLN A 81 -1.479 20.779 -8.456 1.00 0.98 C ATOM 1311 O GLN A 81 -1.734 19.757 -7.805 1.00 0.75 O ATOM 1312 CB GLN A 81 -2.933 22.782 -8.072 1.00 2.75 C ATOM 1313 CG GLN A 81 -3.989 23.722 -8.624 1.00 3.72 C ATOM 1314 CD GLN A 81 -4.327 24.853 -7.680 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -3.484 25.324 -6.915 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -5.569 25.301 -7.731 1.00 5.39 N ATOM 0 H GLN A 81 -4.413 20.730 -8.568 1.00 1.04 H new ATOM 0 HA GLN A 81 -2.218 22.081 -9.966 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -3.286 22.358 -7.132 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -2.030 23.350 -7.846 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -3.639 24.138 -9.569 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -4.894 23.155 -8.841 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -6.236 24.882 -8.379 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -5.861 26.065 -7.122 1.00 5.39 H new ATOM 1325 N ASN A 82 -0.247 21.199 -8.706 1.00 0.84 N ATOM 1326 CA ASN A 82 0.934 20.466 -8.269 1.00 0.71 C ATOM 1327 C ASN A 82 1.012 20.410 -6.747 1.00 0.59 C ATOM 1328 O ASN A 82 1.426 19.405 -6.181 1.00 0.56 O ATOM 1329 CB ASN A 82 2.195 21.123 -8.840 1.00 1.13 C ATOM 1330 CG ASN A 82 3.465 20.362 -8.502 1.00 1.74 C ATOM 1331 OD1 ASN A 82 3.454 19.143 -8.347 1.00 2.48 O ATOM 1332 ND2 ASN A 82 4.574 21.077 -8.401 1.00 2.28 N ATOM 0 H ASN A 82 -0.037 22.057 -9.217 1.00 0.84 H new ATOM 0 HA ASN A 82 0.861 19.444 -8.641 1.00 0.71 H new ATOM 0 HB2 ASN A 82 2.100 21.198 -9.923 1.00 1.13 H new ATOM 0 HB3 ASN A 82 2.274 22.140 -8.456 1.00 1.13 H new ATOM 0 HD21 ASN A 82 5.459 20.618 -8.188 1.00 2.28 H new ATOM 0 HD22 ASN A 82 4.543 22.088 -8.536 1.00 2.28 H new ATOM 1339 N ARG A 83 0.588 21.484 -6.090 1.00 0.65 N ATOM 1340 CA ARG A 83 0.620 21.556 -4.631 1.00 0.63 C ATOM 1341 C ARG A 83 -0.224 20.442 -4.002 1.00 0.46 C ATOM 1342 O ARG A 83 0.175 19.831 -3.007 1.00 0.43 O ATOM 1343 CB ARG A 83 0.127 22.927 -4.157 1.00 0.81 C ATOM 1344 CG ARG A 83 -1.316 23.224 -4.534 1.00 1.66 C ATOM 1345 CD ARG A 83 -1.774 24.573 -4.006 1.00 2.10 C ATOM 1346 NE ARG A 83 -1.562 24.703 -2.564 1.00 2.64 N ATOM 1347 CZ ARG A 83 -2.529 24.589 -1.654 1.00 3.34 C ATOM 1348 NH1 ARG A 83 -3.758 24.245 -2.024 1.00 3.68 N ATOM 1349 NH2 ARG A 83 -2.261 24.796 -0.370 1.00 4.17 N ATOM 0 H ARG A 83 0.217 22.319 -6.544 1.00 0.65 H new ATOM 0 HA ARG A 83 1.652 21.419 -4.309 1.00 0.63 H new ATOM 0 HB2 ARG A 83 0.229 22.985 -3.073 1.00 0.81 H new ATOM 0 HB3 ARG A 83 0.770 23.700 -4.579 1.00 0.81 H new ATOM 0 HG2 ARG A 83 -1.419 23.205 -5.619 1.00 1.66 H new ATOM 0 HG3 ARG A 83 -1.963 22.441 -4.139 1.00 1.66 H new ATOM 0 HD2 ARG A 83 -1.235 25.366 -4.524 1.00 2.10 H new ATOM 0 HD3 ARG A 83 -2.832 24.709 -4.230 1.00 2.10 H new ATOM 0 HE ARG A 83 -0.615 24.893 -2.235 1.00 2.64 H new ATOM 0 HH11 ARG A 83 -3.964 24.067 -3.007 1.00 3.68 H new ATOM 0 HH12 ARG A 83 -4.496 24.159 -1.325 1.00 3.68 H new ATOM 0 HH21 ARG A 83 -1.315 25.042 -0.080 1.00 4.17 H new ATOM 0 HH22 ARG A 83 -3.001 24.709 0.326 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.375 20.169 -4.607 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.291 19.168 -4.095 1.00 0.38 C ATOM 1365 C ALA A 84 -1.692 17.782 -4.231 1.00 0.29 C ATOM 1366 O ALA A 84 -1.630 17.026 -3.259 1.00 0.35 O ATOM 1367 CB ALA A 84 -3.624 19.244 -4.822 1.00 0.49 C ATOM 0 H ALA A 84 -1.693 20.633 -5.458 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.463 19.368 -3.037 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.299 18.486 -4.425 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.062 20.232 -4.677 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.468 19.069 -5.887 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.224 17.457 -5.433 1.00 0.25 N ATOM 1374 CA GLU A 85 -0.642 16.145 -5.674 1.00 0.26 C ATOM 1375 C GLU A 85 0.674 15.987 -4.921 1.00 0.28 C ATOM 1376 O GLU A 85 1.034 14.889 -4.522 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.421 15.869 -7.154 1.00 0.34 C ATOM 1378 CG GLU A 85 0.701 16.705 -7.759 1.00 0.49 C ATOM 1379 CD GLU A 85 1.328 16.081 -8.986 1.00 0.79 C ATOM 1380 OE1 GLU A 85 0.787 16.277 -10.097 1.00 1.24 O ATOM 1381 OE2 GLU A 85 2.343 15.370 -8.844 1.00 1.31 O ATOM 0 H GLU A 85 -1.237 18.076 -6.244 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.362 15.416 -5.304 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.192 14.812 -7.290 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.346 16.067 -7.696 1.00 0.34 H new ATOM 0 HG2 GLU A 85 0.309 17.688 -8.021 1.00 0.49 H new ATOM 0 HG3 GLU A 85 1.473 16.860 -7.006 1.00 0.49 H new ATOM 1388 N LEU A 86 1.398 17.078 -4.729 1.00 0.30 N ATOM 1389 CA LEU A 86 2.647 17.019 -3.985 1.00 0.36 C ATOM 1390 C LEU A 86 2.349 16.490 -2.592 1.00 0.28 C ATOM 1391 O LEU A 86 3.091 15.675 -2.034 1.00 0.28 O ATOM 1392 CB LEU A 86 3.283 18.414 -3.895 1.00 0.47 C ATOM 1393 CG LEU A 86 4.806 18.470 -4.069 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.515 17.640 -3.009 1.00 1.45 C ATOM 1395 CD2 LEU A 86 5.194 18.005 -5.463 1.00 1.47 C ATOM 0 H LEU A 86 1.147 18.005 -5.073 1.00 0.30 H new ATOM 0 HA LEU A 86 3.350 16.360 -4.494 1.00 0.36 H new ATOM 0 HB2 LEU A 86 2.827 19.049 -4.654 1.00 0.47 H new ATOM 0 HB3 LEU A 86 3.032 18.845 -2.926 1.00 0.47 H new ATOM 0 HG LEU A 86 5.123 19.505 -3.944 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.593 17.701 -3.160 1.00 1.45 H new ATOM 0 HD12 LEU A 86 5.265 18.023 -2.020 1.00 1.45 H new ATOM 0 HD13 LEU A 86 5.196 16.601 -3.087 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.278 18.050 -5.573 1.00 1.47 H new ATOM 0 HD22 LEU A 86 4.856 16.979 -5.612 1.00 1.47 H new ATOM 0 HD23 LEU A 86 4.727 18.652 -6.206 1.00 1.47 H new ATOM 1407 N LYS A 87 1.218 16.922 -2.067 1.00 0.24 N ATOM 1408 CA LYS A 87 0.789 16.530 -0.747 1.00 0.22 C ATOM 1409 C LYS A 87 0.354 15.054 -0.698 1.00 0.18 C ATOM 1410 O LYS A 87 0.758 14.329 0.216 1.00 0.20 O ATOM 1411 CB LYS A 87 -0.329 17.471 -0.292 1.00 0.27 C ATOM 1412 CG LYS A 87 -0.293 17.796 1.193 1.00 0.29 C ATOM 1413 CD LYS A 87 -1.298 18.879 1.557 1.00 0.75 C ATOM 1414 CE LYS A 87 -1.127 20.124 0.698 1.00 1.40 C ATOM 1415 NZ LYS A 87 -2.097 21.192 1.061 1.00 1.74 N ATOM 0 H LYS A 87 0.575 17.553 -2.546 1.00 0.24 H new ATOM 0 HA LYS A 87 1.630 16.615 -0.058 1.00 0.22 H new ATOM 0 HB2 LYS A 87 -0.263 18.400 -0.859 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -1.291 17.019 -0.532 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.505 16.895 1.768 1.00 0.29 H new ATOM 0 HG3 LYS A 87 0.710 18.122 1.470 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -2.309 18.491 1.437 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -1.181 19.144 2.608 1.00 0.75 H new ATOM 0 HE2 LYS A 87 -0.112 20.504 0.809 1.00 1.40 H new ATOM 0 HE3 LYS A 87 -1.255 19.860 -0.352 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 -1.945 22.021 0.451 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 -3.067 20.839 0.930 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 -1.958 21.463 2.055 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.449 14.575 -1.661 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.846 13.166 -1.606 1.00 0.21 C ATOM 1431 C LEU A 88 0.292 12.224 -1.955 1.00 0.21 C ATOM 1432 O LEU A 88 0.354 11.119 -1.432 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.141 12.792 -2.377 1.00 0.30 C ATOM 1434 CG LEU A 88 -2.325 13.050 -3.891 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -3.023 14.362 -4.135 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -1.049 12.971 -4.696 1.00 1.33 C ATOM 0 H LEU A 88 -0.818 15.111 -2.446 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.103 13.028 -0.556 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.294 11.724 -2.225 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -2.960 13.306 -1.874 1.00 0.30 H new ATOM 0 HG LEU A 88 -2.952 12.232 -4.247 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -3.139 14.518 -5.207 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -4.005 14.345 -3.662 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -2.431 15.173 -3.712 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -1.269 13.164 -5.746 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -0.341 13.715 -4.330 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -0.615 11.976 -4.593 1.00 1.33 H new ATOM 1448 N LYS A 89 1.201 12.657 -2.813 1.00 0.26 N ATOM 1449 CA LYS A 89 2.263 11.777 -3.278 1.00 0.31 C ATOM 1450 C LYS A 89 3.248 11.480 -2.157 1.00 0.29 C ATOM 1451 O LYS A 89 3.746 10.366 -2.056 1.00 0.30 O ATOM 1452 CB LYS A 89 2.975 12.365 -4.500 1.00 0.41 C ATOM 1453 CG LYS A 89 3.823 13.586 -4.204 1.00 0.47 C ATOM 1454 CD LYS A 89 4.064 14.404 -5.459 1.00 0.90 C ATOM 1455 CE LYS A 89 4.787 13.605 -6.528 1.00 1.05 C ATOM 1456 NZ LYS A 89 4.807 14.315 -7.833 1.00 2.07 N ATOM 0 H LYS A 89 1.227 13.601 -3.199 1.00 0.26 H new ATOM 0 HA LYS A 89 1.809 10.835 -3.585 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.609 11.596 -4.941 1.00 0.41 H new ATOM 0 HB3 LYS A 89 2.228 12.629 -5.248 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.328 14.203 -3.454 1.00 0.47 H new ATOM 0 HG3 LYS A 89 4.778 13.275 -3.781 1.00 0.47 H new ATOM 0 HD2 LYS A 89 3.110 14.755 -5.852 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.650 15.288 -5.209 1.00 0.90 H new ATOM 0 HE2 LYS A 89 5.810 13.410 -6.205 1.00 1.05 H new ATOM 0 HE3 LYS A 89 4.300 12.637 -6.649 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 5.171 13.678 -8.569 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 3.842 14.614 -8.080 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 5.421 15.151 -7.764 1.00 2.07 H new ATOM 1470 N ARG A 90 3.512 12.466 -1.304 1.00 0.27 N ATOM 1471 CA ARG A 90 4.384 12.245 -0.155 1.00 0.30 C ATOM 1472 C ARG A 90 3.693 11.352 0.879 1.00 0.25 C ATOM 1473 O ARG A 90 4.307 10.446 1.454 1.00 0.28 O ATOM 1474 CB ARG A 90 4.823 13.570 0.485 1.00 0.36 C ATOM 1475 CG ARG A 90 3.680 14.508 0.825 1.00 0.35 C ATOM 1476 CD ARG A 90 4.136 15.644 1.722 1.00 0.75 C ATOM 1477 NE ARG A 90 4.454 15.170 3.073 1.00 1.44 N ATOM 1478 CZ ARG A 90 4.530 15.958 4.145 1.00 1.98 C ATOM 1479 NH1 ARG A 90 4.346 17.268 4.028 1.00 2.10 N ATOM 1480 NH2 ARG A 90 4.788 15.431 5.338 1.00 2.93 N ATOM 0 H ARG A 90 3.141 13.413 -1.384 1.00 0.27 H new ATOM 0 HA ARG A 90 5.280 11.739 -0.513 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.382 13.353 1.395 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.506 14.080 -0.195 1.00 0.36 H new ATOM 0 HG2 ARG A 90 3.258 14.916 -0.094 1.00 0.35 H new ATOM 0 HG3 ARG A 90 2.885 13.950 1.320 1.00 0.35 H new ATOM 0 HD2 ARG A 90 5.014 16.122 1.287 1.00 0.75 H new ATOM 0 HD3 ARG A 90 3.355 16.402 1.776 1.00 0.75 H new ATOM 0 HE ARG A 90 4.628 14.173 3.200 1.00 1.44 H new ATOM 0 HH11 ARG A 90 4.145 17.675 3.115 1.00 2.10 H new ATOM 0 HH12 ARG A 90 4.405 17.867 4.852 1.00 2.10 H new ATOM 0 HH21 ARG A 90 4.927 14.425 5.432 1.00 2.93 H new ATOM 0 HH22 ARG A 90 4.847 16.033 6.160 1.00 2.93 H new ATOM 1494 N ALA A 91 2.409 11.600 1.098 1.00 0.22 N ATOM 1495 CA ALA A 91 1.627 10.821 2.048 1.00 0.23 C ATOM 1496 C ALA A 91 1.458 9.383 1.566 1.00 0.21 C ATOM 1497 O ALA A 91 1.631 8.424 2.323 1.00 0.24 O ATOM 1498 CB ALA A 91 0.271 11.473 2.252 1.00 0.26 C ATOM 0 H ALA A 91 1.885 12.338 0.628 1.00 0.22 H new ATOM 0 HA ALA A 91 2.159 10.796 2.999 1.00 0.23 H new ATOM 0 HB1 ALA A 91 -0.311 10.887 2.963 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.407 12.483 2.639 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.258 11.518 1.300 1.00 0.26 H new ATOM 1504 N VAL A 92 1.134 9.240 0.294 1.00 0.18 N ATOM 1505 CA VAL A 92 0.935 7.934 -0.291 1.00 0.19 C ATOM 1506 C VAL A 92 2.256 7.179 -0.380 1.00 0.22 C ATOM 1507 O VAL A 92 2.277 5.953 -0.358 1.00 0.24 O ATOM 1508 CB VAL A 92 0.266 8.022 -1.676 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.264 8.401 -2.761 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.430 6.710 -1.998 1.00 0.26 C ATOM 0 H VAL A 92 1.003 10.018 -0.353 1.00 0.18 H new ATOM 0 HA VAL A 92 0.260 7.383 0.363 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.481 8.815 -1.646 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.754 8.453 -3.723 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.702 9.372 -2.530 1.00 0.25 H new ATOM 0 HG13 VAL A 92 2.052 7.650 -2.809 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -0.901 6.779 -2.979 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.301 5.902 -2.003 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.190 6.507 -1.244 1.00 0.26 H new ATOM 1520 N GLU A 93 3.357 7.915 -0.488 1.00 0.25 N ATOM 1521 CA GLU A 93 4.679 7.308 -0.453 1.00 0.31 C ATOM 1522 C GLU A 93 4.927 6.634 0.894 1.00 0.31 C ATOM 1523 O GLU A 93 5.618 5.617 0.970 1.00 0.33 O ATOM 1524 CB GLU A 93 5.762 8.344 -0.744 1.00 0.39 C ATOM 1525 CG GLU A 93 6.124 8.440 -2.214 1.00 0.71 C ATOM 1526 CD GLU A 93 7.221 9.446 -2.483 1.00 1.14 C ATOM 1527 OE1 GLU A 93 8.316 9.310 -1.900 1.00 1.63 O ATOM 1528 OE2 GLU A 93 6.987 10.393 -3.260 1.00 1.61 O ATOM 0 H GLU A 93 3.359 8.929 -0.600 1.00 0.25 H new ATOM 0 HA GLU A 93 4.722 6.546 -1.231 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.424 9.320 -0.396 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.656 8.094 -0.173 1.00 0.39 H new ATOM 0 HG2 GLU A 93 6.441 7.460 -2.570 1.00 0.71 H new ATOM 0 HG3 GLU A 93 5.237 8.715 -2.785 1.00 0.71 H new ATOM 1535 N GLU A 94 4.367 7.203 1.954 1.00 0.31 N ATOM 1536 CA GLU A 94 4.392 6.555 3.262 1.00 0.34 C ATOM 1537 C GLU A 94 3.656 5.220 3.197 1.00 0.29 C ATOM 1538 O GLU A 94 4.124 4.211 3.733 1.00 0.29 O ATOM 1539 CB GLU A 94 3.765 7.456 4.326 1.00 0.42 C ATOM 1540 CG GLU A 94 4.472 8.792 4.481 1.00 0.90 C ATOM 1541 CD GLU A 94 5.901 8.643 4.958 1.00 1.40 C ATOM 1542 OE1 GLU A 94 6.765 8.256 4.144 1.00 2.09 O ATOM 1543 OE2 GLU A 94 6.170 8.906 6.146 1.00 1.62 O ATOM 0 H GLU A 94 3.893 8.106 1.936 1.00 0.31 H new ATOM 0 HA GLU A 94 5.431 6.374 3.539 1.00 0.34 H new ATOM 0 HB2 GLU A 94 2.720 7.634 4.071 1.00 0.42 H new ATOM 0 HB3 GLU A 94 3.775 6.935 5.284 1.00 0.42 H new ATOM 0 HG2 GLU A 94 4.465 9.316 3.525 1.00 0.90 H new ATOM 0 HG3 GLU A 94 3.920 9.411 5.188 1.00 0.90 H new ATOM 1550 N VAL A 95 2.505 5.213 2.528 1.00 0.28 N ATOM 1551 CA VAL A 95 1.786 3.963 2.288 1.00 0.26 C ATOM 1552 C VAL A 95 2.596 3.032 1.406 1.00 0.25 C ATOM 1553 O VAL A 95 2.646 1.839 1.652 1.00 0.26 O ATOM 1554 CB VAL A 95 0.401 4.181 1.643 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.159 2.860 1.113 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.557 4.812 2.640 1.00 0.62 C ATOM 0 H VAL A 95 2.055 6.045 2.147 1.00 0.28 H new ATOM 0 HA VAL A 95 1.635 3.513 3.269 1.00 0.26 H new ATOM 0 HB VAL A 95 0.516 4.864 0.801 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -1.136 3.034 0.662 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.519 2.452 0.364 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.260 2.152 1.935 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.529 4.959 2.168 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.668 4.156 3.503 1.00 0.62 H new ATOM 0 HG23 VAL A 95 -0.162 5.775 2.965 1.00 0.62 H new ATOM 1566 N LYS A 96 3.226 3.583 0.386 1.00 0.26 N ATOM 1567 CA LYS A 96 4.028 2.805 -0.537 1.00 0.30 C ATOM 1568 C LYS A 96 5.126 2.030 0.192 1.00 0.33 C ATOM 1569 O LYS A 96 5.541 0.961 -0.249 1.00 0.39 O ATOM 1570 CB LYS A 96 4.614 3.735 -1.584 1.00 0.36 C ATOM 1571 CG LYS A 96 4.929 3.051 -2.894 1.00 0.88 C ATOM 1572 CD LYS A 96 5.091 4.076 -3.994 1.00 1.20 C ATOM 1573 CE LYS A 96 6.272 4.993 -3.733 1.00 1.69 C ATOM 1574 NZ LYS A 96 7.567 4.265 -3.769 1.00 2.00 N ATOM 0 H LYS A 96 3.196 4.580 0.175 1.00 0.26 H new ATOM 0 HA LYS A 96 3.394 2.065 -1.025 1.00 0.30 H new ATOM 0 HB2 LYS A 96 3.912 4.549 -1.768 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.526 4.183 -1.190 1.00 0.36 H new ATOM 0 HG2 LYS A 96 5.843 2.465 -2.796 1.00 0.88 H new ATOM 0 HG3 LYS A 96 4.130 2.355 -3.150 1.00 0.88 H new ATOM 0 HD2 LYS A 96 5.228 3.568 -4.948 1.00 1.20 H new ATOM 0 HD3 LYS A 96 4.180 4.669 -4.077 1.00 1.20 H new ATOM 0 HE2 LYS A 96 6.284 5.789 -4.478 1.00 1.69 H new ATOM 0 HE3 LYS A 96 6.152 5.469 -2.760 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 8.350 4.949 -3.773 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 7.645 3.654 -2.931 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 7.613 3.681 -4.629 1.00 2.00 H new ATOM 1588 N LYS A 97 5.613 2.582 1.295 1.00 0.33 N ATOM 1589 CA LYS A 97 6.579 1.882 2.125 1.00 0.39 C ATOM 1590 C LYS A 97 5.874 0.843 2.994 1.00 0.35 C ATOM 1591 O LYS A 97 6.434 -0.208 3.313 1.00 0.45 O ATOM 1592 CB LYS A 97 7.333 2.864 3.019 1.00 0.49 C ATOM 1593 CG LYS A 97 8.532 2.242 3.711 1.00 1.09 C ATOM 1594 CD LYS A 97 8.884 2.987 4.982 1.00 1.89 C ATOM 1595 CE LYS A 97 10.156 2.445 5.611 1.00 2.76 C ATOM 1596 NZ LYS A 97 11.341 2.638 4.730 1.00 3.43 N ATOM 0 H LYS A 97 5.355 3.509 1.633 1.00 0.33 H new ATOM 0 HA LYS A 97 7.291 1.382 1.468 1.00 0.39 H new ATOM 0 HB2 LYS A 97 7.667 3.710 2.418 1.00 0.49 H new ATOM 0 HB3 LYS A 97 6.650 3.258 3.772 1.00 0.49 H new ATOM 0 HG2 LYS A 97 8.318 1.199 3.946 1.00 1.09 H new ATOM 0 HG3 LYS A 97 9.387 2.247 3.035 1.00 1.09 H new ATOM 0 HD2 LYS A 97 9.009 4.047 4.761 1.00 1.89 H new ATOM 0 HD3 LYS A 97 8.062 2.905 5.693 1.00 1.89 H new ATOM 0 HE2 LYS A 97 10.329 2.943 6.565 1.00 2.76 H new ATOM 0 HE3 LYS A 97 10.031 1.383 5.823 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 12.211 2.528 5.289 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 11.327 1.929 3.969 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 11.314 3.592 4.316 1.00 3.43 H new ATOM 1610 N LEU A 98 4.641 1.150 3.376 1.00 0.30 N ATOM 1611 CA LEU A 98 3.887 0.295 4.283 1.00 0.33 C ATOM 1612 C LEU A 98 3.292 -0.901 3.546 1.00 0.27 C ATOM 1613 O LEU A 98 3.311 -2.015 4.051 1.00 0.35 O ATOM 1614 CB LEU A 98 2.761 1.090 4.948 1.00 0.45 C ATOM 1615 CG LEU A 98 2.264 0.524 6.281 1.00 0.83 C ATOM 1616 CD1 LEU A 98 3.398 0.459 7.291 1.00 1.70 C ATOM 1617 CD2 LEU A 98 1.121 1.365 6.823 1.00 1.29 C ATOM 0 H LEU A 98 4.142 1.986 3.071 1.00 0.30 H new ATOM 0 HA LEU A 98 4.577 -0.071 5.044 1.00 0.33 H new ATOM 0 HB2 LEU A 98 3.106 2.111 5.111 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.919 1.144 4.258 1.00 0.45 H new ATOM 0 HG LEU A 98 1.898 -0.488 6.108 1.00 0.83 H new ATOM 0 HD11 LEU A 98 3.025 0.054 8.232 1.00 1.70 H new ATOM 0 HD12 LEU A 98 4.190 -0.184 6.908 1.00 1.70 H new ATOM 0 HD13 LEU A 98 3.794 1.461 7.459 1.00 1.70 H new ATOM 0 HD21 LEU A 98 0.780 0.948 7.771 1.00 1.29 H new ATOM 0 HD22 LEU A 98 1.464 2.388 6.979 1.00 1.29 H new ATOM 0 HD23 LEU A 98 0.298 1.363 6.109 1.00 1.29 H new ATOM 1629 N LEU A 99 2.790 -0.661 2.339 1.00 0.21 N ATOM 1630 CA LEU A 99 2.157 -1.699 1.525 1.00 0.22 C ATOM 1631 C LEU A 99 3.165 -2.756 1.063 1.00 0.25 C ATOM 1632 O LEU A 99 2.829 -3.644 0.289 1.00 0.43 O ATOM 1633 CB LEU A 99 1.408 -1.088 0.321 1.00 0.36 C ATOM 1634 CG LEU A 99 2.189 -0.123 -0.577 1.00 0.38 C ATOM 1635 CD1 LEU A 99 3.263 -0.835 -1.381 1.00 1.29 C ATOM 1636 CD2 LEU A 99 1.235 0.608 -1.508 1.00 1.30 C ATOM 0 H LEU A 99 2.809 0.257 1.896 1.00 0.21 H new ATOM 0 HA LEU A 99 1.426 -2.200 2.159 1.00 0.22 H new ATOM 0 HB2 LEU A 99 1.044 -1.906 -0.300 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.532 -0.561 0.701 1.00 0.36 H new ATOM 0 HG LEU A 99 2.690 0.597 0.070 1.00 0.38 H new ATOM 0 HD11 LEU A 99 3.791 -0.112 -2.003 1.00 1.29 H new ATOM 0 HD12 LEU A 99 3.969 -1.313 -0.702 1.00 1.29 H new ATOM 0 HD13 LEU A 99 2.801 -1.591 -2.016 1.00 1.29 H new ATOM 0 HD21 LEU A 99 1.799 1.292 -2.143 1.00 1.30 H new ATOM 0 HD22 LEU A 99 0.709 -0.115 -2.131 1.00 1.30 H new ATOM 0 HD23 LEU A 99 0.512 1.172 -0.919 1.00 1.30 H new ATOM 1648 N VAL A 100 4.401 -2.648 1.525 1.00 0.32 N ATOM 1649 CA VAL A 100 5.397 -3.667 1.259 1.00 0.36 C ATOM 1650 C VAL A 100 5.110 -4.901 2.119 1.00 0.37 C ATOM 1651 O VAL A 100 4.832 -4.776 3.311 1.00 0.45 O ATOM 1652 CB VAL A 100 6.827 -3.141 1.536 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.873 -4.230 1.335 1.00 1.35 C ATOM 1654 CG2 VAL A 100 7.134 -1.947 0.644 1.00 1.29 C ATOM 0 H VAL A 100 4.736 -1.864 2.086 1.00 0.32 H new ATOM 0 HA VAL A 100 5.341 -3.937 0.204 1.00 0.36 H new ATOM 0 HB VAL A 100 6.868 -2.827 2.579 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.864 -3.824 1.538 1.00 1.35 H new ATOM 0 HG12 VAL A 100 7.673 -5.057 2.016 1.00 1.35 H new ATOM 0 HG13 VAL A 100 7.832 -4.589 0.307 1.00 1.35 H new ATOM 0 HG21 VAL A 100 8.142 -1.588 0.850 1.00 1.29 H new ATOM 0 HG22 VAL A 100 7.062 -2.246 -0.402 1.00 1.29 H new ATOM 0 HG23 VAL A 100 6.418 -1.150 0.844 1.00 1.29 H new ATOM 1664 N PRO A 101 5.163 -6.107 1.518 1.00 0.39 N ATOM 1665 CA PRO A 101 4.911 -7.391 2.211 1.00 0.49 C ATOM 1666 C PRO A 101 5.914 -7.697 3.325 1.00 0.65 C ATOM 1667 O PRO A 101 5.950 -8.813 3.849 1.00 0.88 O ATOM 1668 CB PRO A 101 5.059 -8.424 1.096 1.00 0.64 C ATOM 1669 CG PRO A 101 5.891 -7.745 0.069 1.00 0.60 C ATOM 1670 CD PRO A 101 5.443 -6.319 0.092 1.00 0.45 C ATOM 0 HA PRO A 101 3.940 -7.381 2.706 1.00 0.49 H new ATOM 0 HB2 PRO A 101 5.539 -9.333 1.458 1.00 0.64 H new ATOM 0 HB3 PRO A 101 4.089 -8.715 0.693 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.953 -7.829 0.302 1.00 0.60 H new ATOM 0 HG3 PRO A 101 5.744 -8.189 -0.915 1.00 0.60 H new ATOM 0 HD2 PRO A 101 6.215 -5.643 -0.277 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.559 -6.160 -0.525 1.00 0.45 H new ATOM 1735 N ASP A 107 17.418 -6.804 -4.456 1.00 9.76 N ATOM 1736 CA ASP A 107 18.706 -7.455 -4.689 1.00 10.43 C ATOM 1737 C ASP A 107 19.753 -6.894 -3.742 1.00 10.48 C ATOM 1738 O ASP A 107 20.689 -7.590 -3.334 1.00 11.15 O ATOM 1739 CB ASP A 107 19.135 -7.254 -6.146 1.00 10.67 C ATOM 1740 CG ASP A 107 20.513 -7.806 -6.443 1.00 11.41 C ATOM 1741 OD1 ASP A 107 20.632 -9.027 -6.676 1.00 11.57 O ATOM 1742 OD2 ASP A 107 21.488 -7.029 -6.428 1.00 11.98 O ATOM 0 HA ASP A 107 18.606 -8.524 -4.499 1.00 10.43 H new ATOM 0 HB2 ASP A 107 18.409 -7.735 -6.801 1.00 10.67 H new ATOM 0 HB3 ASP A 107 19.119 -6.189 -6.379 1.00 10.67 H new ATOM 1747 N SER A 108 19.557 -5.642 -3.367 1.00 9.96 N ATOM 1748 CA SER A 108 20.441 -4.966 -2.441 1.00 10.24 C ATOM 1749 C SER A 108 20.427 -5.667 -1.087 1.00 10.41 C ATOM 1750 O SER A 108 21.430 -5.706 -0.398 1.00 11.07 O ATOM 1751 CB SER A 108 20.013 -3.505 -2.303 1.00 9.88 C ATOM 1752 OG SER A 108 21.042 -2.708 -1.741 1.00 10.00 O ATOM 0 H SER A 108 18.781 -5.068 -3.697 1.00 9.96 H new ATOM 0 HA SER A 108 21.461 -4.999 -2.825 1.00 10.24 H new ATOM 0 HB2 SER A 108 19.742 -3.111 -3.282 1.00 9.88 H new ATOM 0 HB3 SER A 108 19.123 -3.444 -1.677 1.00 9.88 H new ATOM 0 HG SER A 108 21.020 -2.787 -0.764 1.00 10.00 H new ATOM 1758 N LEU A 109 19.296 -6.256 -0.735 1.00 10.02 N ATOM 1759 CA LEU A 109 19.161 -6.970 0.531 1.00 10.41 C ATOM 1760 C LEU A 109 20.181 -8.097 0.619 1.00 11.26 C ATOM 1761 O LEU A 109 20.805 -8.313 1.657 1.00 11.94 O ATOM 1762 CB LEU A 109 17.744 -7.532 0.664 1.00 10.12 C ATOM 1763 CG LEU A 109 16.639 -6.481 0.744 1.00 9.48 C ATOM 1764 CD1 LEU A 109 15.280 -7.114 0.491 1.00 9.47 C ATOM 1765 CD2 LEU A 109 16.666 -5.793 2.097 1.00 9.65 C ATOM 0 H LEU A 109 18.453 -6.255 -1.309 1.00 10.02 H new ATOM 0 HA LEU A 109 19.346 -6.272 1.347 1.00 10.41 H new ATOM 0 HB2 LEU A 109 17.546 -8.182 -0.188 1.00 10.12 H new ATOM 0 HB3 LEU A 109 17.698 -8.155 1.558 1.00 10.12 H new ATOM 0 HG LEU A 109 16.814 -5.732 -0.029 1.00 9.48 H new ATOM 0 HD11 LEU A 109 14.505 -6.350 0.552 1.00 9.47 H new ATOM 0 HD12 LEU A 109 15.268 -7.565 -0.501 1.00 9.47 H new ATOM 0 HD13 LEU A 109 15.091 -7.882 1.241 1.00 9.47 H new ATOM 0 HD21 LEU A 109 15.873 -5.046 2.141 1.00 9.65 H new ATOM 0 HD22 LEU A 109 16.513 -6.532 2.884 1.00 9.65 H new ATOM 0 HD23 LEU A 109 17.631 -5.307 2.239 1.00 9.65 H new ATOM 1777 N LYS A 110 20.367 -8.788 -0.494 1.00 11.40 N ATOM 1778 CA LYS A 110 21.288 -9.908 -0.555 1.00 12.34 C ATOM 1779 C LYS A 110 22.727 -9.409 -0.659 1.00 12.93 C ATOM 1780 O LYS A 110 23.626 -9.925 0.005 1.00 13.70 O ATOM 1781 CB LYS A 110 20.939 -10.794 -1.753 1.00 12.53 C ATOM 1782 CG LYS A 110 21.690 -12.114 -1.786 1.00 12.99 C ATOM 1783 CD LYS A 110 21.225 -12.989 -2.939 1.00 13.18 C ATOM 1784 CE LYS A 110 19.729 -13.253 -2.867 1.00 13.26 C ATOM 1785 NZ LYS A 110 19.281 -14.217 -3.906 1.00 13.83 N ATOM 0 H LYS A 110 19.888 -8.590 -1.372 1.00 11.40 H new ATOM 0 HA LYS A 110 21.198 -10.495 0.359 1.00 12.34 H new ATOM 0 HB2 LYS A 110 19.868 -10.997 -1.741 1.00 12.53 H new ATOM 0 HB3 LYS A 110 21.149 -10.245 -2.671 1.00 12.53 H new ATOM 0 HG2 LYS A 110 22.759 -11.924 -1.880 1.00 12.99 H new ATOM 0 HG3 LYS A 110 21.542 -12.642 -0.844 1.00 12.99 H new ATOM 0 HD2 LYS A 110 21.465 -12.504 -3.885 1.00 13.18 H new ATOM 0 HD3 LYS A 110 21.764 -13.936 -2.920 1.00 13.18 H new ATOM 0 HE2 LYS A 110 19.477 -13.641 -1.880 1.00 13.26 H new ATOM 0 HE3 LYS A 110 19.189 -12.314 -2.988 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 18.256 -14.368 -3.821 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 19.498 -13.836 -4.849 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 19.776 -15.122 -3.776 1.00 13.83 H new ATOM 1799 N LYS A 111 22.937 -8.385 -1.480 1.00 12.70 N ATOM 1800 CA LYS A 111 24.275 -7.846 -1.695 1.00 13.45 C ATOM 1801 C LYS A 111 24.767 -7.034 -0.501 1.00 13.69 C ATOM 1802 O LYS A 111 25.966 -6.939 -0.276 1.00 14.58 O ATOM 1803 CB LYS A 111 24.326 -6.983 -2.954 1.00 13.35 C ATOM 1804 CG LYS A 111 24.366 -7.785 -4.244 1.00 13.65 C ATOM 1805 CD LYS A 111 24.562 -6.879 -5.446 1.00 14.12 C ATOM 1806 CE LYS A 111 24.725 -7.674 -6.730 1.00 14.42 C ATOM 1807 NZ LYS A 111 23.576 -8.586 -6.971 1.00 14.52 N ATOM 0 H LYS A 111 22.201 -7.913 -2.005 1.00 12.70 H new ATOM 0 HA LYS A 111 24.936 -8.703 -1.820 1.00 13.45 H new ATOM 0 HB2 LYS A 111 23.455 -6.329 -2.971 1.00 13.35 H new ATOM 0 HB3 LYS A 111 25.206 -6.341 -2.908 1.00 13.35 H new ATOM 0 HG2 LYS A 111 25.176 -8.513 -4.198 1.00 13.65 H new ATOM 0 HG3 LYS A 111 23.438 -8.346 -4.356 1.00 13.65 H new ATOM 0 HD2 LYS A 111 23.708 -6.209 -5.539 1.00 14.12 H new ATOM 0 HD3 LYS A 111 25.442 -6.254 -5.291 1.00 14.12 H new ATOM 0 HE2 LYS A 111 24.825 -6.988 -7.571 1.00 14.42 H new ATOM 0 HE3 LYS A 111 25.645 -8.256 -6.682 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 23.712 -9.084 -7.874 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 23.515 -9.280 -6.199 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 22.696 -8.033 -7.010 1.00 14.52 H new ATOM 1821 N MET A 112 23.860 -6.448 0.259 1.00 13.03 N ATOM 1822 CA MET A 112 24.255 -5.632 1.400 1.00 13.43 C ATOM 1823 C MET A 112 24.694 -6.495 2.569 1.00 13.93 C ATOM 1824 O MET A 112 25.655 -6.160 3.259 1.00 14.71 O ATOM 1825 CB MET A 112 23.131 -4.688 1.827 1.00 12.78 C ATOM 1826 CG MET A 112 22.942 -3.518 0.875 1.00 12.65 C ATOM 1827 SD MET A 112 21.441 -2.574 1.219 1.00 12.08 S ATOM 1828 CE MET A 112 21.793 -1.971 2.868 1.00 12.60 C ATOM 0 H MET A 112 22.853 -6.519 0.112 1.00 13.03 H new ATOM 0 HA MET A 112 25.105 -5.027 1.084 1.00 13.43 H new ATOM 0 HB2 MET A 112 22.199 -5.249 1.893 1.00 12.78 H new ATOM 0 HB3 MET A 112 23.345 -4.306 2.825 1.00 12.78 H new ATOM 0 HG2 MET A 112 23.806 -2.857 0.943 1.00 12.65 H new ATOM 0 HG3 MET A 112 22.905 -3.890 -0.149 1.00 12.65 H new ATOM 0 HE1 MET A 112 21.067 -1.204 3.138 1.00 12.60 H new ATOM 0 HE2 MET A 112 21.730 -2.796 3.578 1.00 12.60 H new ATOM 0 HE3 MET A 112 22.796 -1.546 2.893 1.00 12.60 H new ATOM 1838 N LYS A 113 24.001 -7.602 2.800 1.00 13.65 N ATOM 1839 CA LYS A 113 24.402 -8.502 3.874 1.00 14.28 C ATOM 1840 C LYS A 113 25.676 -9.257 3.501 1.00 15.23 C ATOM 1841 O LYS A 113 26.524 -9.517 4.350 1.00 16.03 O ATOM 1842 CB LYS A 113 23.278 -9.489 4.232 1.00 13.94 C ATOM 1843 CG LYS A 113 23.680 -10.512 5.292 1.00 14.60 C ATOM 1844 CD LYS A 113 24.268 -9.839 6.525 1.00 15.23 C ATOM 1845 CE LYS A 113 25.529 -10.554 6.997 1.00 16.15 C ATOM 1846 NZ LYS A 113 25.231 -11.827 7.705 1.00 16.72 N ATOM 0 H LYS A 113 23.178 -7.894 2.273 1.00 13.65 H new ATOM 0 HA LYS A 113 24.604 -7.892 4.754 1.00 14.28 H new ATOM 0 HB2 LYS A 113 22.413 -8.929 4.588 1.00 13.94 H new ATOM 0 HB3 LYS A 113 22.967 -10.016 3.330 1.00 13.94 H new ATOM 0 HG2 LYS A 113 22.809 -11.101 5.579 1.00 14.60 H new ATOM 0 HG3 LYS A 113 24.409 -11.205 4.872 1.00 14.60 H new ATOM 0 HD2 LYS A 113 24.500 -8.799 6.298 1.00 15.23 H new ATOM 0 HD3 LYS A 113 23.529 -9.833 7.326 1.00 15.23 H new ATOM 0 HE2 LYS A 113 26.168 -10.761 6.139 1.00 16.15 H new ATOM 0 HE3 LYS A 113 26.089 -9.895 7.661 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 26.121 -12.274 8.005 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 24.643 -11.630 8.540 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 24.720 -12.469 7.065 1.00 16.72 H new ATOM 1860 N LEU A 114 25.825 -9.592 2.232 1.00 15.27 N ATOM 1861 CA LEU A 114 26.973 -10.354 1.800 1.00 16.25 C ATOM 1862 C LEU A 114 28.148 -9.453 1.417 1.00 16.89 C ATOM 1863 O LEU A 114 29.232 -9.554 1.986 1.00 17.72 O ATOM 1864 CB LEU A 114 26.589 -11.243 0.619 1.00 16.24 C ATOM 1865 CG LEU A 114 27.689 -12.178 0.141 1.00 16.63 C ATOM 1866 CD1 LEU A 114 28.084 -13.128 1.260 1.00 17.08 C ATOM 1867 CD2 LEU A 114 27.225 -12.943 -1.085 1.00 16.95 C ATOM 0 H LEU A 114 25.168 -9.349 1.490 1.00 15.27 H new ATOM 0 HA LEU A 114 27.295 -10.972 2.638 1.00 16.25 H new ATOM 0 HB2 LEU A 114 25.720 -11.839 0.898 1.00 16.24 H new ATOM 0 HB3 LEU A 114 26.285 -10.607 -0.213 1.00 16.24 H new ATOM 0 HG LEU A 114 28.566 -11.592 -0.136 1.00 16.63 H new ATOM 0 HD11 LEU A 114 28.872 -13.795 0.910 1.00 17.08 H new ATOM 0 HD12 LEU A 114 28.446 -12.555 2.113 1.00 17.08 H new ATOM 0 HD13 LEU A 114 27.217 -13.717 1.560 1.00 17.08 H new ATOM 0 HD21 LEU A 114 28.019 -13.610 -1.420 1.00 16.95 H new ATOM 0 HD22 LEU A 114 26.341 -13.529 -0.835 1.00 16.95 H new ATOM 0 HD23 LEU A 114 26.981 -12.240 -1.882 1.00 16.95 H new ATOM 1879 N MET A 115 27.926 -8.567 0.457 1.00 16.60 N ATOM 1880 CA MET A 115 29.010 -7.768 -0.101 1.00 17.37 C ATOM 1881 C MET A 115 29.192 -6.444 0.631 1.00 17.30 C ATOM 1882 O MET A 115 30.288 -6.135 1.056 1.00 18.16 O ATOM 1883 CB MET A 115 28.773 -7.496 -1.585 1.00 17.40 C ATOM 1884 CG MET A 115 29.805 -6.553 -2.190 1.00 18.36 C ATOM 1885 SD MET A 115 29.438 -6.122 -3.905 1.00 18.37 S ATOM 1886 CE MET A 115 27.838 -5.340 -3.719 1.00 17.17 C ATOM 0 H MET A 115 27.010 -8.383 0.049 1.00 16.60 H new ATOM 0 HA MET A 115 29.922 -8.352 0.026 1.00 17.37 H new ATOM 0 HB2 MET A 115 28.789 -8.440 -2.129 1.00 17.40 H new ATOM 0 HB3 MET A 115 27.778 -7.070 -1.716 1.00 17.40 H new ATOM 0 HG2 MET A 115 29.852 -5.642 -1.593 1.00 18.36 H new ATOM 0 HG3 MET A 115 30.789 -7.018 -2.140 1.00 18.36 H new ATOM 0 HE1 MET A 115 27.766 -4.492 -4.400 1.00 17.17 H new ATOM 0 HE2 MET A 115 27.052 -6.059 -3.951 1.00 17.17 H new ATOM 0 HE3 MET A 115 27.720 -4.992 -2.693 1.00 17.17 H new ATOM 1896 N GLU A 116 28.127 -5.667 0.784 1.00 16.38 N ATOM 1897 CA GLU A 116 28.239 -4.352 1.411 1.00 16.41 C ATOM 1898 C GLU A 116 28.751 -4.468 2.842 1.00 16.77 C ATOM 1899 O GLU A 116 29.300 -3.522 3.406 1.00 17.19 O ATOM 1900 CB GLU A 116 26.899 -3.622 1.384 1.00 15.41 C ATOM 1901 CG GLU A 116 26.413 -3.290 -0.019 1.00 15.12 C ATOM 1902 CD GLU A 116 27.335 -2.337 -0.755 1.00 15.91 C ATOM 1903 OE1 GLU A 116 27.805 -1.361 -0.136 1.00 16.27 O ATOM 1904 OE2 GLU A 116 27.590 -2.555 -1.958 1.00 16.29 O ATOM 0 H GLU A 116 27.184 -5.919 0.487 1.00 16.38 H new ATOM 0 HA GLU A 116 28.961 -3.771 0.837 1.00 16.41 H new ATOM 0 HB2 GLU A 116 26.150 -4.237 1.883 1.00 15.41 H new ATOM 0 HB3 GLU A 116 26.986 -2.699 1.957 1.00 15.41 H new ATOM 0 HG2 GLU A 116 26.319 -4.212 -0.593 1.00 15.12 H new ATOM 0 HG3 GLU A 116 25.418 -2.850 0.042 1.00 15.12 H new ATOM 1911 N LEU A 117 28.562 -5.642 3.417 1.00 16.72 N ATOM 1912 CA LEU A 117 29.024 -5.934 4.763 1.00 17.21 C ATOM 1913 C LEU A 117 30.554 -6.047 4.806 1.00 18.39 C ATOM 1914 O LEU A 117 31.191 -5.580 5.752 1.00 18.98 O ATOM 1915 CB LEU A 117 28.372 -7.234 5.257 1.00 17.03 C ATOM 1916 CG LEU A 117 28.145 -7.359 6.774 1.00 17.18 C ATOM 1917 CD1 LEU A 117 29.460 -7.501 7.525 1.00 18.26 C ATOM 1918 CD2 LEU A 117 27.361 -6.164 7.297 1.00 16.60 C ATOM 0 H LEU A 117 28.084 -6.421 2.964 1.00 16.72 H new ATOM 0 HA LEU A 117 28.734 -5.114 5.421 1.00 17.21 H new ATOM 0 HB2 LEU A 117 27.409 -7.343 4.759 1.00 17.03 H new ATOM 0 HB3 LEU A 117 28.993 -8.070 4.936 1.00 17.03 H new ATOM 0 HG LEU A 117 27.563 -8.264 6.948 1.00 17.18 H new ATOM 0 HD11 LEU A 117 29.261 -7.587 8.593 1.00 18.26 H new ATOM 0 HD12 LEU A 117 29.981 -8.394 7.180 1.00 18.26 H new ATOM 0 HD13 LEU A 117 30.081 -6.624 7.341 1.00 18.26 H new ATOM 0 HD21 LEU A 117 27.210 -6.270 8.371 1.00 16.60 H new ATOM 0 HD22 LEU A 117 27.917 -5.248 7.097 1.00 16.60 H new ATOM 0 HD23 LEU A 117 26.393 -6.117 6.798 1.00 16.60 H new ATOM 1930 N ALA A 118 31.144 -6.636 3.764 1.00 18.81 N ATOM 1931 CA ALA A 118 32.556 -6.982 3.791 1.00 19.94 C ATOM 1932 C ALA A 118 33.190 -6.929 2.406 1.00 20.25 C ATOM 1933 O ALA A 118 34.051 -7.751 2.091 1.00 20.88 O ATOM 1934 CB ALA A 118 32.730 -8.370 4.394 1.00 20.42 C ATOM 0 H ALA A 118 30.664 -6.880 2.898 1.00 18.81 H new ATOM 0 HA ALA A 118 33.067 -6.242 4.407 1.00 19.94 H new ATOM 0 HB1 ALA A 118 33.789 -8.628 4.414 1.00 20.42 H new ATOM 0 HB2 ALA A 118 32.336 -8.377 5.410 1.00 20.42 H new ATOM 0 HB3 ALA A 118 32.190 -9.099 3.790 1.00 20.42 H new ATOM 1940 N ILE A 119 32.801 -5.920 1.626 1.00 19.90 N ATOM 1941 CA ILE A 119 33.222 -5.743 0.233 1.00 20.25 C ATOM 1942 C ILE A 119 33.437 -7.073 -0.507 1.00 21.12 C ATOM 1943 O ILE A 119 32.472 -7.704 -0.947 1.00 21.13 O ATOM 1944 CB ILE A 119 34.455 -4.819 0.099 1.00 20.40 C ATOM 1945 CG1 ILE A 119 35.565 -5.199 1.088 1.00 20.16 C ATOM 1946 CG2 ILE A 119 34.037 -3.368 0.296 1.00 20.03 C ATOM 1947 CD1 ILE A 119 36.837 -4.400 0.913 1.00 20.59 C ATOM 0 H ILE A 119 32.171 -5.186 1.951 1.00 19.90 H new ATOM 0 HA ILE A 119 32.387 -5.244 -0.258 1.00 20.25 H new ATOM 0 HB ILE A 119 34.861 -4.945 -0.905 1.00 20.40 H new ATOM 0 HG12 ILE A 119 35.197 -5.060 2.104 1.00 20.16 H new ATOM 0 HG13 ILE A 119 35.794 -6.259 0.974 1.00 20.16 H new ATOM 0 HG21 ILE A 119 34.910 -2.722 0.201 1.00 20.03 H new ATOM 0 HG22 ILE A 119 33.300 -3.096 -0.459 1.00 20.03 H new ATOM 0 HG23 ILE A 119 33.602 -3.246 1.288 1.00 20.03 H new ATOM 0 HD11 ILE A 119 37.575 -4.725 1.647 1.00 20.59 H new ATOM 0 HD12 ILE A 119 37.230 -4.558 -0.091 1.00 20.59 H new ATOM 0 HD13 ILE A 119 36.624 -3.341 1.057 1.00 20.59 H new ATOM 1959 N LEU A 120 34.683 -7.514 -0.631 1.00 21.92 N ATOM 1960 CA LEU A 120 34.969 -8.779 -1.283 1.00 22.85 C ATOM 1961 C LEU A 120 34.880 -9.921 -0.286 1.00 23.12 C ATOM 1962 O LEU A 120 35.779 -10.143 0.527 1.00 23.32 O ATOM 1963 CB LEU A 120 36.335 -8.771 -1.983 1.00 23.66 C ATOM 1964 CG LEU A 120 36.371 -8.054 -3.341 1.00 23.95 C ATOM 1965 CD1 LEU A 120 35.289 -8.593 -4.258 1.00 23.98 C ATOM 1966 CD2 LEU A 120 36.218 -6.552 -3.163 1.00 23.52 C ATOM 0 H LEU A 120 35.505 -7.015 -0.290 1.00 21.92 H new ATOM 0 HA LEU A 120 34.215 -8.927 -2.056 1.00 22.85 H new ATOM 0 HB2 LEU A 120 37.061 -8.299 -1.322 1.00 23.66 H new ATOM 0 HB3 LEU A 120 36.658 -9.802 -2.126 1.00 23.66 H new ATOM 0 HG LEU A 120 37.341 -8.246 -3.801 1.00 23.95 H new ATOM 0 HD11 LEU A 120 35.331 -8.073 -5.215 1.00 23.98 H new ATOM 0 HD12 LEU A 120 35.446 -9.660 -4.418 1.00 23.98 H new ATOM 0 HD13 LEU A 120 34.312 -8.434 -3.801 1.00 23.98 H new ATOM 0 HD21 LEU A 120 36.246 -6.065 -4.138 1.00 23.52 H new ATOM 0 HD22 LEU A 120 35.265 -6.338 -2.678 1.00 23.52 H new ATOM 0 HD23 LEU A 120 37.032 -6.174 -2.545 1.00 23.52 H new ATOM 1978 N ASN A 121 33.758 -10.614 -0.345 1.00 23.21 N ATOM 1979 CA ASN A 121 33.493 -11.762 0.508 1.00 23.56 C ATOM 1980 C ASN A 121 34.024 -13.032 -0.146 1.00 24.31 C ATOM 1981 O ASN A 121 34.848 -12.966 -1.056 1.00 24.76 O ATOM 1982 CB ASN A 121 31.988 -11.881 0.751 1.00 23.18 C ATOM 1983 CG ASN A 121 31.209 -11.887 -0.547 1.00 23.09 C ATOM 1984 OD1 ASN A 121 30.806 -10.712 -0.989 1.00 23.47 O flip ATOM 1985 ND2 ASN A 121 30.981 -12.932 -1.153 1.00 22.69 N flip ATOM 0 H ASN A 121 32.998 -10.396 -0.990 1.00 23.21 H new ATOM 0 HA ASN A 121 33.999 -11.626 1.464 1.00 23.56 H new ATOM 0 HB2 ASN A 121 31.780 -12.797 1.304 1.00 23.18 H new ATOM 0 HB3 ASN A 121 31.653 -11.050 1.372 1.00 23.18 H new ATOM 0 HD21 ASN A 121 31.310 -13.821 -0.778 1.00 22.69 H new ATOM 0 HD22 ASN A 121 30.463 -12.910 -2.031 1.00 22.69 H new