USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 747 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 28 ASN : amide:sc= -6.31! C(o=-6.9!,f=-8.3!) USER MOD Set 1.2: A 66 MET CE :methyl -163:sc= -0.627 (180deg=-1.39) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.012 K(o=0.015,f=-6.2!) USER MOD Set 2.2: A 65 THR OG1 : rot -67:sc= 0.0275 USER MOD Single : A 1 HIS : no HD1:sc= -3! C(o=-3!,f=-2.9!) USER MOD Single : A 1 HIS N :NH3+ -150:sc= 0.0337 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -106:sc= -0.0107 (180deg=-0.631) USER MOD Single : A 6 SER OG : rot 180:sc= -0.926 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0349 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -55:sc= 1.12 USER MOD Single : A 32 GLN : amide:sc= -0.826 X(o=-0.83,f=-0.66) USER MOD Single : A 34 SER OG : rot 81:sc= 0.0271 USER MOD Single : A 37 LYS NZ :NH3+ -129:sc= 1.16 (180deg=-0.437) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -71:sc= 0.947 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.154 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 19:sc= -1.24 USER MOD Single : A 79 TYR OH : rot 51:sc= 1.15 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.211 K(o=-0.21,f=-1.1) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 96 SER OG : rot 140:sc=-0.00814 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 12.183 12.218 -2.502 1.00 7.73 N ATOM 2 CA HIS A 1 13.017 11.032 -2.412 1.00 6.31 C ATOM 3 C HIS A 1 12.634 10.050 -3.520 1.00 5.03 C ATOM 4 O HIS A 1 11.699 10.299 -4.280 1.00 5.55 O ATOM 5 CB HIS A 1 12.930 10.413 -1.015 1.00 6.74 C ATOM 6 CG HIS A 1 14.251 10.355 -0.286 1.00 7.26 C ATOM 7 ND1 HIS A 1 14.513 9.442 0.721 1.00 8.05 N ATOM 8 CD2 HIS A 1 15.382 11.105 -0.428 1.00 7.74 C ATOM 9 CE1 HIS A 1 15.748 9.643 1.157 1.00 8.82 C ATOM 10 NE2 HIS A 1 16.284 10.674 0.444 1.00 8.60 N ATOM 0 H1 HIS A 1 12.712 13.042 -2.150 1.00 7.73 H new ATOM 0 H2 HIS A 1 11.913 12.378 -3.493 1.00 7.73 H new ATOM 0 H3 HIS A 1 11.327 12.085 -1.927 1.00 7.73 H new ATOM 0 HA HIS A 1 14.062 11.305 -2.562 1.00 6.31 H new ATOM 0 HB2 HIS A 1 12.222 10.987 -0.418 1.00 6.74 H new ATOM 0 HB3 HIS A 1 12.529 9.403 -1.101 1.00 6.74 H new ATOM 0 HD2 HIS A 1 15.520 11.913 -1.131 1.00 7.74 H new ATOM 0 HE1 HIS A 1 16.243 9.088 1.940 1.00 8.82 H new ATOM 0 HE2 HIS A 1 17.224 11.052 0.562 1.00 8.60 H new ATOM 20 N PRO A 2 13.394 8.923 -3.578 1.00 3.98 N ATOM 21 CA PRO A 2 13.144 7.902 -4.581 1.00 3.41 C ATOM 22 C PRO A 2 11.899 7.084 -4.232 1.00 2.66 C ATOM 23 O PRO A 2 11.585 6.896 -3.057 1.00 2.61 O ATOM 24 CB PRO A 2 14.413 7.067 -4.616 1.00 3.94 C ATOM 25 CG PRO A 2 15.143 7.360 -3.315 1.00 4.41 C ATOM 26 CD PRO A 2 14.509 8.595 -2.694 1.00 4.45 C ATOM 0 HA PRO A 2 12.931 8.321 -5.565 1.00 3.41 H new ATOM 0 HB2 PRO A 2 14.180 6.006 -4.702 1.00 3.94 H new ATOM 0 HB3 PRO A 2 15.029 7.329 -5.476 1.00 3.94 H new ATOM 0 HG2 PRO A 2 15.069 6.510 -2.636 1.00 4.41 H new ATOM 0 HG3 PRO A 2 16.204 7.528 -3.502 1.00 4.41 H new ATOM 0 HD2 PRO A 2 14.165 8.396 -1.679 1.00 4.45 H new ATOM 0 HD3 PRO A 2 15.221 9.418 -2.633 1.00 4.45 H new ATOM 34 N LYS A 3 11.225 6.620 -5.273 1.00 2.34 N ATOM 35 CA LYS A 3 10.020 5.826 -5.091 1.00 1.77 C ATOM 36 C LYS A 3 10.159 4.513 -5.863 1.00 1.26 C ATOM 37 O LYS A 3 11.035 4.380 -6.718 1.00 1.40 O ATOM 38 CB LYS A 3 8.781 6.637 -5.474 1.00 2.13 C ATOM 39 CG LYS A 3 8.704 6.837 -6.989 1.00 2.79 C ATOM 40 CD LYS A 3 7.524 7.735 -7.365 1.00 3.29 C ATOM 41 CE LYS A 3 7.901 9.214 -7.250 1.00 3.66 C ATOM 42 NZ LYS A 3 7.445 9.766 -5.955 1.00 4.00 N ATOM 0 H LYS A 3 11.489 6.778 -6.245 1.00 2.34 H new ATOM 0 HA LYS A 3 9.890 5.566 -4.040 1.00 1.77 H new ATOM 0 HB2 LYS A 3 7.884 6.125 -5.125 1.00 2.13 H new ATOM 0 HB3 LYS A 3 8.808 7.606 -4.976 1.00 2.13 H new ATOM 0 HG2 LYS A 3 9.632 7.281 -7.348 1.00 2.79 H new ATOM 0 HG3 LYS A 3 8.601 5.870 -7.482 1.00 2.79 H new ATOM 0 HD2 LYS A 3 7.206 7.515 -8.384 1.00 3.29 H new ATOM 0 HD3 LYS A 3 6.677 7.520 -6.713 1.00 3.29 H new ATOM 0 HE2 LYS A 3 8.981 9.328 -7.340 1.00 3.66 H new ATOM 0 HE3 LYS A 3 7.452 9.775 -8.070 1.00 3.66 H new ATOM 0 HZ1 LYS A 3 6.618 10.377 -6.110 1.00 4.00 H new ATOM 0 HZ2 LYS A 3 7.185 8.986 -5.317 1.00 4.00 H new ATOM 0 HZ3 LYS A 3 8.211 10.323 -5.526 1.00 4.00 H new ATOM 56 N LEU A 4 9.283 3.575 -5.535 1.00 0.87 N ATOM 57 CA LEU A 4 9.297 2.276 -6.186 1.00 0.60 C ATOM 58 C LEU A 4 9.202 2.470 -7.701 1.00 0.53 C ATOM 59 O LEU A 4 8.932 3.573 -8.174 1.00 0.56 O ATOM 60 CB LEU A 4 8.202 1.376 -5.612 1.00 0.77 C ATOM 61 CG LEU A 4 6.817 1.515 -6.249 1.00 0.54 C ATOM 62 CD1 LEU A 4 6.604 2.927 -6.795 1.00 0.80 C ATOM 63 CD2 LEU A 4 6.598 0.445 -7.321 1.00 0.52 C ATOM 0 H LEU A 4 8.558 3.689 -4.826 1.00 0.87 H new ATOM 0 HA LEU A 4 10.237 1.760 -5.987 1.00 0.60 H new ATOM 0 HB2 LEU A 4 8.523 0.339 -5.710 1.00 0.77 H new ATOM 0 HB3 LEU A 4 8.112 1.582 -4.545 1.00 0.77 H new ATOM 0 HG LEU A 4 6.066 1.354 -5.475 1.00 0.54 H new ATOM 0 HD11 LEU A 4 5.612 2.999 -7.242 1.00 0.80 H new ATOM 0 HD12 LEU A 4 6.688 3.648 -5.982 1.00 0.80 H new ATOM 0 HD13 LEU A 4 7.359 3.143 -7.551 1.00 0.80 H new ATOM 0 HD21 LEU A 4 5.607 0.565 -7.758 1.00 0.52 H new ATOM 0 HD22 LEU A 4 7.353 0.550 -8.100 1.00 0.52 H new ATOM 0 HD23 LEU A 4 6.678 -0.544 -6.870 1.00 0.52 H new ATOM 75 N VAL A 5 9.429 1.380 -8.420 1.00 0.52 N ATOM 76 CA VAL A 5 9.373 1.417 -9.872 1.00 0.52 C ATOM 77 C VAL A 5 7.979 1.867 -10.312 1.00 0.48 C ATOM 78 O VAL A 5 7.763 3.044 -10.596 1.00 0.53 O ATOM 79 CB VAL A 5 9.770 0.055 -10.445 1.00 0.56 C ATOM 80 CG1 VAL A 5 9.648 0.046 -11.970 1.00 0.62 C ATOM 81 CG2 VAL A 5 11.184 -0.333 -10.006 1.00 0.67 C ATOM 0 H VAL A 5 9.652 0.467 -8.025 1.00 0.52 H new ATOM 0 HA VAL A 5 10.087 2.141 -10.264 1.00 0.52 H new ATOM 0 HB VAL A 5 9.080 -0.690 -10.049 1.00 0.56 H new ATOM 0 HG11 VAL A 5 9.936 -0.933 -12.352 1.00 0.62 H new ATOM 0 HG12 VAL A 5 8.617 0.258 -12.254 1.00 0.62 H new ATOM 0 HG13 VAL A 5 10.304 0.807 -12.392 1.00 0.62 H new ATOM 0 HG21 VAL A 5 11.442 -1.305 -10.427 1.00 0.67 H new ATOM 0 HG22 VAL A 5 11.893 0.415 -10.360 1.00 0.67 H new ATOM 0 HG23 VAL A 5 11.226 -0.386 -8.918 1.00 0.67 H new ATOM 91 N SER A 6 7.068 0.906 -10.357 1.00 0.44 N ATOM 92 CA SER A 6 5.701 1.188 -10.757 1.00 0.42 C ATOM 93 C SER A 6 4.727 0.348 -9.928 1.00 0.39 C ATOM 94 O SER A 6 5.043 -0.779 -9.548 1.00 0.41 O ATOM 95 CB SER A 6 5.497 0.918 -12.250 1.00 0.44 C ATOM 96 OG SER A 6 6.689 1.139 -12.999 1.00 0.52 O ATOM 0 H SER A 6 7.251 -0.070 -10.123 1.00 0.44 H new ATOM 0 HA SER A 6 5.504 2.245 -10.575 1.00 0.42 H new ATOM 0 HB2 SER A 6 5.166 -0.111 -12.391 1.00 0.44 H new ATOM 0 HB3 SER A 6 4.705 1.563 -12.630 1.00 0.44 H new ATOM 0 HG SER A 6 6.519 0.955 -13.946 1.00 0.52 H new ATOM 102 N SER A 7 3.564 0.929 -9.672 1.00 0.35 N ATOM 103 CA SER A 7 2.543 0.247 -8.895 1.00 0.33 C ATOM 104 C SER A 7 1.164 0.824 -9.222 1.00 0.33 C ATOM 105 O SER A 7 1.060 1.906 -9.798 1.00 0.36 O ATOM 106 CB SER A 7 2.824 0.361 -7.396 1.00 0.31 C ATOM 107 OG SER A 7 2.980 1.716 -6.983 1.00 0.31 O ATOM 0 H SER A 7 3.306 1.864 -9.989 1.00 0.35 H new ATOM 0 HA SER A 7 2.560 -0.810 -9.161 1.00 0.33 H new ATOM 0 HB2 SER A 7 2.007 -0.096 -6.838 1.00 0.31 H new ATOM 0 HB3 SER A 7 3.728 -0.198 -7.153 1.00 0.31 H new ATOM 0 HG SER A 7 3.156 1.746 -6.019 1.00 0.31 H new ATOM 113 N THR A 8 0.139 0.076 -8.841 1.00 0.33 N ATOM 114 CA THR A 8 -1.229 0.501 -9.086 1.00 0.35 C ATOM 115 C THR A 8 -2.095 0.246 -7.852 1.00 0.33 C ATOM 116 O THR A 8 -3.081 -0.488 -7.921 1.00 0.35 O ATOM 117 CB THR A 8 -1.730 -0.220 -10.339 1.00 0.42 C ATOM 118 OG1 THR A 8 -0.902 0.285 -11.384 1.00 0.63 O ATOM 119 CG2 THR A 8 -3.142 0.214 -10.740 1.00 0.60 C ATOM 0 H THR A 8 0.228 -0.821 -8.365 1.00 0.33 H new ATOM 0 HA THR A 8 -1.284 1.575 -9.267 1.00 0.35 H new ATOM 0 HB THR A 8 -1.716 -1.296 -10.168 1.00 0.42 H new ATOM 0 HG1 THR A 8 -1.157 -0.131 -12.234 1.00 0.63 H new ATOM 0 HG21 THR A 8 -3.449 -0.328 -11.635 1.00 0.60 H new ATOM 0 HG22 THR A 8 -3.835 -0.005 -9.927 1.00 0.60 H new ATOM 0 HG23 THR A 8 -3.149 1.285 -10.944 1.00 0.60 H new ATOM 127 N PRO A 9 -1.688 0.882 -6.721 1.00 0.31 N ATOM 128 CA PRO A 9 -2.415 0.732 -5.473 1.00 0.31 C ATOM 129 C PRO A 9 -3.717 1.536 -5.497 1.00 0.34 C ATOM 130 O PRO A 9 -4.801 0.974 -5.349 1.00 0.45 O ATOM 131 CB PRO A 9 -1.450 1.197 -4.396 1.00 0.32 C ATOM 132 CG PRO A 9 -0.394 2.023 -5.111 1.00 0.31 C ATOM 133 CD PRO A 9 -0.526 1.759 -6.603 1.00 0.30 C ATOM 0 HA PRO A 9 -2.729 -0.296 -5.290 1.00 0.31 H new ATOM 0 HB2 PRO A 9 -1.965 1.791 -3.640 1.00 0.32 H new ATOM 0 HB3 PRO A 9 -1.000 0.348 -3.882 1.00 0.32 H new ATOM 0 HG2 PRO A 9 -0.530 3.083 -4.898 1.00 0.31 H new ATOM 0 HG3 PRO A 9 0.603 1.753 -4.762 1.00 0.31 H new ATOM 0 HD2 PRO A 9 -0.671 2.686 -7.158 1.00 0.30 H new ATOM 0 HD3 PRO A 9 0.371 1.285 -7.002 1.00 0.30 H new ATOM 141 N ALA A 10 -3.567 2.838 -5.685 1.00 0.34 N ATOM 142 CA ALA A 10 -4.716 3.726 -5.731 1.00 0.37 C ATOM 143 C ALA A 10 -4.235 5.179 -5.715 1.00 0.35 C ATOM 144 O ALA A 10 -4.761 6.003 -4.968 1.00 0.34 O ATOM 145 CB ALA A 10 -5.652 3.410 -4.563 1.00 0.39 C ATOM 0 H ALA A 10 -2.666 3.300 -5.807 1.00 0.34 H new ATOM 0 HA ALA A 10 -5.280 3.576 -6.652 1.00 0.37 H new ATOM 0 HB1 ALA A 10 -6.514 4.076 -4.597 1.00 0.39 H new ATOM 0 HB2 ALA A 10 -5.989 2.376 -4.636 1.00 0.39 H new ATOM 0 HB3 ALA A 10 -5.121 3.552 -3.622 1.00 0.39 H new ATOM 151 N GLU A 11 -3.240 5.448 -6.547 1.00 0.40 N ATOM 152 CA GLU A 11 -2.682 6.787 -6.637 1.00 0.46 C ATOM 153 C GLU A 11 -3.803 7.827 -6.694 1.00 0.49 C ATOM 154 O GLU A 11 -4.448 7.994 -7.728 1.00 0.54 O ATOM 155 CB GLU A 11 -1.756 6.913 -7.848 1.00 0.57 C ATOM 156 CG GLU A 11 -0.320 7.214 -7.411 1.00 0.63 C ATOM 157 CD GLU A 11 0.398 8.082 -8.446 1.00 1.72 C ATOM 158 OE1 GLU A 11 0.352 7.781 -9.648 1.00 2.29 O ATOM 159 OE2 GLU A 11 1.020 9.104 -7.963 1.00 2.97 O ATOM 0 H GLU A 11 -2.806 4.762 -7.165 1.00 0.40 H new ATOM 0 HA GLU A 11 -2.086 6.973 -5.743 1.00 0.46 H new ATOM 0 HB2 GLU A 11 -1.778 5.989 -8.425 1.00 0.57 H new ATOM 0 HB3 GLU A 11 -2.114 7.707 -8.504 1.00 0.57 H new ATOM 0 HG2 GLU A 11 -0.329 7.723 -6.447 1.00 0.63 H new ATOM 0 HG3 GLU A 11 0.225 6.280 -7.273 1.00 0.63 H new ATOM 166 N GLY A 12 -4.001 8.498 -5.569 1.00 0.47 N ATOM 167 CA GLY A 12 -5.034 9.516 -5.477 1.00 0.50 C ATOM 168 C GLY A 12 -6.326 9.050 -6.152 1.00 0.54 C ATOM 169 O GLY A 12 -7.028 9.846 -6.773 1.00 0.70 O ATOM 0 H GLY A 12 -3.464 8.357 -4.714 1.00 0.47 H new ATOM 0 HA2 GLY A 12 -5.230 9.747 -4.430 1.00 0.50 H new ATOM 0 HA3 GLY A 12 -4.686 10.436 -5.947 1.00 0.50 H new ATOM 173 N SER A 13 -6.599 7.762 -6.008 1.00 0.50 N ATOM 174 CA SER A 13 -7.794 7.181 -6.595 1.00 0.57 C ATOM 175 C SER A 13 -9.036 7.667 -5.845 1.00 0.46 C ATOM 176 O SER A 13 -9.425 7.081 -4.836 1.00 0.51 O ATOM 177 CB SER A 13 -7.728 5.653 -6.578 1.00 0.75 C ATOM 178 OG SER A 13 -7.744 5.102 -7.892 1.00 1.24 O ATOM 0 H SER A 13 -6.013 7.104 -5.493 1.00 0.50 H new ATOM 0 HA SER A 13 -7.856 7.504 -7.634 1.00 0.57 H new ATOM 0 HB2 SER A 13 -6.821 5.335 -6.063 1.00 0.75 H new ATOM 0 HB3 SER A 13 -8.571 5.260 -6.010 1.00 0.75 H new ATOM 0 HG SER A 13 -7.699 4.125 -7.837 1.00 1.24 H new ATOM 184 N GLU A 14 -9.623 8.734 -6.367 1.00 0.47 N ATOM 185 CA GLU A 14 -10.813 9.306 -5.760 1.00 0.57 C ATOM 186 C GLU A 14 -12.053 8.945 -6.581 1.00 0.73 C ATOM 187 O GLU A 14 -12.106 9.209 -7.780 1.00 0.82 O ATOM 188 CB GLU A 14 -10.676 10.822 -5.609 1.00 0.75 C ATOM 189 CG GLU A 14 -9.329 11.192 -4.984 1.00 0.79 C ATOM 190 CD GLU A 14 -8.954 12.639 -5.310 1.00 1.07 C ATOM 191 OE1 GLU A 14 -9.597 13.575 -4.811 1.00 1.42 O ATOM 192 OE2 GLU A 14 -7.952 12.774 -6.112 1.00 1.97 O ATOM 0 H GLU A 14 -9.297 9.218 -7.204 1.00 0.47 H new ATOM 0 HA GLU A 14 -10.928 8.884 -4.762 1.00 0.57 H new ATOM 0 HB2 GLU A 14 -10.771 11.298 -6.585 1.00 0.75 H new ATOM 0 HB3 GLU A 14 -11.486 11.204 -4.988 1.00 0.75 H new ATOM 0 HG2 GLU A 14 -9.377 11.059 -3.903 1.00 0.79 H new ATOM 0 HG3 GLU A 14 -8.555 10.520 -5.354 1.00 0.79 H new ATOM 199 N GLY A 15 -13.020 8.348 -5.899 1.00 0.81 N ATOM 200 CA GLY A 15 -14.256 7.949 -6.551 1.00 1.04 C ATOM 201 C GLY A 15 -14.837 6.691 -5.901 1.00 0.77 C ATOM 202 O GLY A 15 -16.018 6.652 -5.561 1.00 0.68 O ATOM 0 H GLY A 15 -12.973 8.131 -4.903 1.00 0.81 H new ATOM 0 HA2 GLY A 15 -14.981 8.761 -6.492 1.00 1.04 H new ATOM 0 HA3 GLY A 15 -14.070 7.763 -7.609 1.00 1.04 H new ATOM 206 N ALA A 16 -13.979 5.693 -5.747 1.00 0.88 N ATOM 207 CA ALA A 16 -14.392 4.437 -5.144 1.00 0.89 C ATOM 208 C ALA A 16 -13.154 3.586 -4.852 1.00 1.21 C ATOM 209 O ALA A 16 -12.059 3.896 -5.317 1.00 1.82 O ATOM 210 CB ALA A 16 -15.383 3.728 -6.069 1.00 1.06 C ATOM 0 H ALA A 16 -13.000 5.729 -6.029 1.00 0.88 H new ATOM 0 HA ALA A 16 -14.901 4.614 -4.197 1.00 0.89 H new ATOM 0 HB1 ALA A 16 -15.693 2.786 -5.617 1.00 1.06 H new ATOM 0 HB2 ALA A 16 -16.256 4.362 -6.221 1.00 1.06 H new ATOM 0 HB3 ALA A 16 -14.907 3.530 -7.029 1.00 1.06 H new ATOM 216 N ALA A 17 -13.371 2.528 -4.083 1.00 0.96 N ATOM 217 CA ALA A 17 -12.287 1.630 -3.723 1.00 1.22 C ATOM 218 C ALA A 17 -12.117 0.578 -4.822 1.00 1.04 C ATOM 219 O ALA A 17 -13.100 0.037 -5.326 1.00 0.94 O ATOM 220 CB ALA A 17 -12.574 1.005 -2.358 1.00 1.48 C ATOM 0 H ALA A 17 -14.281 2.273 -3.700 1.00 0.96 H new ATOM 0 HA ALA A 17 -11.347 2.176 -3.640 1.00 1.22 H new ATOM 0 HB1 ALA A 17 -11.761 0.331 -2.088 1.00 1.48 H new ATOM 0 HB2 ALA A 17 -12.658 1.792 -1.608 1.00 1.48 H new ATOM 0 HB3 ALA A 17 -13.509 0.446 -2.403 1.00 1.48 H new ATOM 226 N PRO A 18 -10.829 0.313 -5.169 1.00 1.09 N ATOM 227 CA PRO A 18 -10.518 -0.664 -6.199 1.00 1.06 C ATOM 228 C PRO A 18 -10.706 -2.089 -5.676 1.00 0.97 C ATOM 229 O PRO A 18 -11.279 -2.292 -4.607 1.00 1.48 O ATOM 230 CB PRO A 18 -9.084 -0.365 -6.604 1.00 1.28 C ATOM 231 CG PRO A 18 -8.493 0.459 -5.471 1.00 1.39 C ATOM 232 CD PRO A 18 -9.640 0.935 -4.594 1.00 1.30 C ATOM 0 HA PRO A 18 -11.184 -0.595 -7.059 1.00 1.06 H new ATOM 0 HB2 PRO A 18 -8.520 -1.286 -6.752 1.00 1.28 H new ATOM 0 HB3 PRO A 18 -9.050 0.184 -7.545 1.00 1.28 H new ATOM 0 HG2 PRO A 18 -7.791 -0.139 -4.890 1.00 1.39 H new ATOM 0 HG3 PRO A 18 -7.937 1.309 -5.867 1.00 1.39 H new ATOM 0 HD2 PRO A 18 -9.497 0.632 -3.557 1.00 1.30 H new ATOM 0 HD3 PRO A 18 -9.719 2.022 -4.601 1.00 1.30 H new ATOM 240 N ALA A 19 -10.213 -3.041 -6.456 1.00 0.70 N ATOM 241 CA ALA A 19 -10.320 -4.442 -6.084 1.00 0.64 C ATOM 242 C ALA A 19 -9.140 -4.819 -5.187 1.00 0.51 C ATOM 243 O ALA A 19 -9.331 -5.369 -4.103 1.00 0.51 O ATOM 244 CB ALA A 19 -10.389 -5.300 -7.348 1.00 0.77 C ATOM 0 H ALA A 19 -9.739 -2.870 -7.343 1.00 0.70 H new ATOM 0 HA ALA A 19 -11.234 -4.621 -5.517 1.00 0.64 H new ATOM 0 HB1 ALA A 19 -10.469 -6.351 -7.070 1.00 0.77 H new ATOM 0 HB2 ALA A 19 -11.261 -5.012 -7.936 1.00 0.77 H new ATOM 0 HB3 ALA A 19 -9.486 -5.149 -7.940 1.00 0.77 H new ATOM 250 N LYS A 20 -7.947 -4.509 -5.671 1.00 0.46 N ATOM 251 CA LYS A 20 -6.736 -4.808 -4.926 1.00 0.39 C ATOM 252 C LYS A 20 -5.625 -3.849 -5.359 1.00 0.37 C ATOM 253 O LYS A 20 -5.676 -3.288 -6.452 1.00 0.44 O ATOM 254 CB LYS A 20 -6.365 -6.286 -5.077 1.00 0.44 C ATOM 255 CG LYS A 20 -6.006 -6.615 -6.527 1.00 0.55 C ATOM 256 CD LYS A 20 -7.001 -7.612 -7.125 1.00 1.36 C ATOM 257 CE LYS A 20 -6.354 -8.425 -8.249 1.00 1.69 C ATOM 258 NZ LYS A 20 -5.888 -9.735 -7.739 1.00 2.95 N ATOM 0 H LYS A 20 -7.793 -4.053 -6.571 1.00 0.46 H new ATOM 0 HA LYS A 20 -6.897 -4.650 -3.860 1.00 0.39 H new ATOM 0 HB2 LYS A 20 -5.522 -6.521 -4.427 1.00 0.44 H new ATOM 0 HB3 LYS A 20 -7.199 -6.909 -4.755 1.00 0.44 H new ATOM 0 HG2 LYS A 20 -6.000 -5.701 -7.121 1.00 0.55 H new ATOM 0 HG3 LYS A 20 -4.999 -7.030 -6.571 1.00 0.55 H new ATOM 0 HD2 LYS A 20 -7.361 -8.284 -6.346 1.00 1.36 H new ATOM 0 HD3 LYS A 20 -7.869 -7.078 -7.511 1.00 1.36 H new ATOM 0 HE2 LYS A 20 -7.071 -8.576 -9.056 1.00 1.69 H new ATOM 0 HE3 LYS A 20 -5.514 -7.872 -8.669 1.00 1.69 H new ATOM 0 HZ1 LYS A 20 -5.452 -10.274 -8.514 1.00 2.95 H new ATOM 0 HZ2 LYS A 20 -5.188 -9.585 -6.985 1.00 2.95 H new ATOM 0 HZ3 LYS A 20 -6.697 -10.267 -7.360 1.00 2.95 H new ATOM 272 N ILE A 21 -4.649 -3.689 -4.479 1.00 0.34 N ATOM 273 CA ILE A 21 -3.528 -2.807 -4.756 1.00 0.33 C ATOM 274 C ILE A 21 -2.473 -3.568 -5.560 1.00 0.32 C ATOM 275 O ILE A 21 -2.163 -4.719 -5.255 1.00 0.31 O ATOM 276 CB ILE A 21 -2.990 -2.198 -3.459 1.00 0.34 C ATOM 277 CG1 ILE A 21 -3.727 -0.902 -3.115 1.00 0.37 C ATOM 278 CG2 ILE A 21 -1.476 -1.995 -3.534 1.00 0.34 C ATOM 279 CD1 ILE A 21 -4.510 -1.045 -1.808 1.00 0.43 C ATOM 0 H ILE A 21 -4.611 -4.155 -3.573 1.00 0.34 H new ATOM 0 HA ILE A 21 -3.850 -1.964 -5.367 1.00 0.33 H new ATOM 0 HB ILE A 21 -3.179 -2.901 -2.648 1.00 0.34 H new ATOM 0 HG12 ILE A 21 -3.011 -0.085 -3.026 1.00 0.37 H new ATOM 0 HG13 ILE A 21 -4.409 -0.642 -3.925 1.00 0.37 H new ATOM 0 HG21 ILE A 21 -1.120 -1.561 -2.599 1.00 0.34 H new ATOM 0 HG22 ILE A 21 -0.988 -2.956 -3.697 1.00 0.34 H new ATOM 0 HG23 ILE A 21 -1.239 -1.323 -4.359 1.00 0.34 H new ATOM 0 HD11 ILE A 21 -5.024 -0.109 -1.588 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -5.242 -1.846 -1.908 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -3.822 -1.281 -0.996 1.00 0.43 H new ATOM 291 N GLU A 22 -1.948 -2.895 -6.574 1.00 0.38 N ATOM 292 CA GLU A 22 -0.933 -3.493 -7.425 1.00 0.40 C ATOM 293 C GLU A 22 0.429 -2.849 -7.162 1.00 0.37 C ATOM 294 O GLU A 22 0.508 -1.663 -6.846 1.00 0.34 O ATOM 295 CB GLU A 22 -1.319 -3.377 -8.901 1.00 0.44 C ATOM 296 CG GLU A 22 -1.419 -4.758 -9.552 1.00 0.57 C ATOM 297 CD GLU A 22 -0.807 -4.750 -10.955 1.00 0.85 C ATOM 298 OE1 GLU A 22 -0.788 -3.701 -11.616 1.00 1.66 O ATOM 299 OE2 GLU A 22 -0.340 -5.884 -11.352 1.00 1.52 O ATOM 0 H GLU A 22 -2.207 -1.941 -6.825 1.00 0.38 H new ATOM 0 HA GLU A 22 -0.863 -4.554 -7.183 1.00 0.40 H new ATOM 0 HB2 GLU A 22 -2.274 -2.859 -8.991 1.00 0.44 H new ATOM 0 HB3 GLU A 22 -0.578 -2.775 -9.428 1.00 0.44 H new ATOM 0 HG2 GLU A 22 -0.907 -5.494 -8.932 1.00 0.57 H new ATOM 0 HG3 GLU A 22 -2.464 -5.062 -9.609 1.00 0.57 H new ATOM 306 N LEU A 23 1.468 -3.660 -7.301 1.00 0.39 N ATOM 307 CA LEU A 23 2.823 -3.182 -7.081 1.00 0.39 C ATOM 308 C LEU A 23 3.778 -3.920 -8.023 1.00 0.42 C ATOM 309 O LEU A 23 3.588 -5.103 -8.303 1.00 0.45 O ATOM 310 CB LEU A 23 3.201 -3.305 -5.603 1.00 0.41 C ATOM 311 CG LEU A 23 2.324 -2.529 -4.620 1.00 0.38 C ATOM 312 CD1 LEU A 23 2.361 -3.166 -3.230 1.00 0.46 C ATOM 313 CD2 LEU A 23 2.718 -1.050 -4.583 1.00 0.34 C ATOM 0 H LEU A 23 1.399 -4.643 -7.563 1.00 0.39 H new ATOM 0 HA LEU A 23 2.896 -2.121 -7.318 1.00 0.39 H new ATOM 0 HB2 LEU A 23 3.175 -4.359 -5.328 1.00 0.41 H new ATOM 0 HB3 LEU A 23 4.231 -2.970 -5.483 1.00 0.41 H new ATOM 0 HG LEU A 23 1.293 -2.580 -4.970 1.00 0.38 H new ATOM 0 HD11 LEU A 23 1.729 -2.594 -2.551 1.00 0.46 H new ATOM 0 HD12 LEU A 23 1.995 -4.191 -3.290 1.00 0.46 H new ATOM 0 HD13 LEU A 23 3.385 -3.167 -2.858 1.00 0.46 H new ATOM 0 HD21 LEU A 23 2.079 -0.521 -3.876 1.00 0.34 H new ATOM 0 HD22 LEU A 23 3.758 -0.958 -4.271 1.00 0.34 H new ATOM 0 HD23 LEU A 23 2.598 -0.616 -5.576 1.00 0.34 H new ATOM 325 N HIS A 24 4.782 -3.191 -8.485 1.00 0.41 N ATOM 326 CA HIS A 24 5.766 -3.760 -9.390 1.00 0.45 C ATOM 327 C HIS A 24 7.159 -3.243 -9.026 1.00 0.47 C ATOM 328 O HIS A 24 7.311 -2.089 -8.626 1.00 0.55 O ATOM 329 CB HIS A 24 5.391 -3.479 -10.846 1.00 0.48 C ATOM 330 CG HIS A 24 4.345 -4.416 -11.403 1.00 0.49 C ATOM 331 ND1 HIS A 24 4.654 -5.655 -11.934 1.00 0.54 N ATOM 332 CD2 HIS A 24 2.992 -4.280 -11.503 1.00 0.54 C ATOM 333 CE1 HIS A 24 3.530 -6.231 -12.335 1.00 0.56 C ATOM 334 NE2 HIS A 24 2.501 -5.377 -12.068 1.00 0.55 N ATOM 0 H HIS A 24 4.936 -2.211 -8.250 1.00 0.41 H new ATOM 0 HA HIS A 24 5.780 -4.845 -9.282 1.00 0.45 H new ATOM 0 HB2 HIS A 24 5.026 -2.455 -10.925 1.00 0.48 H new ATOM 0 HB3 HIS A 24 6.288 -3.546 -11.461 1.00 0.48 H new ATOM 0 HD2 HIS A 24 2.417 -3.425 -11.178 1.00 0.54 H new ATOM 0 HE1 HIS A 24 3.444 -7.205 -12.793 1.00 0.56 H new ATOM 0 HE2 HIS A 24 1.516 -5.552 -12.269 1.00 0.55 H new ATOM 342 N PHE A 25 8.139 -4.120 -9.176 1.00 0.54 N ATOM 343 CA PHE A 25 9.515 -3.766 -8.869 1.00 0.57 C ATOM 344 C PHE A 25 10.489 -4.500 -9.791 1.00 0.66 C ATOM 345 O PHE A 25 10.402 -5.716 -9.952 1.00 0.94 O ATOM 346 CB PHE A 25 9.775 -4.198 -7.425 1.00 0.63 C ATOM 347 CG PHE A 25 9.142 -3.280 -6.377 1.00 0.69 C ATOM 348 CD1 PHE A 25 7.799 -3.308 -6.170 1.00 2.02 C ATOM 349 CD2 PHE A 25 9.923 -2.434 -5.653 1.00 1.71 C ATOM 350 CE1 PHE A 25 7.211 -2.457 -5.197 1.00 2.11 C ATOM 351 CE2 PHE A 25 9.336 -1.581 -4.680 1.00 1.86 C ATOM 352 CZ PHE A 25 7.992 -1.611 -4.473 1.00 1.17 C ATOM 0 H PHE A 25 8.008 -5.076 -9.506 1.00 0.54 H new ATOM 0 HA PHE A 25 9.664 -2.695 -9.007 1.00 0.57 H new ATOM 0 HB2 PHE A 25 9.394 -5.209 -7.285 1.00 0.63 H new ATOM 0 HB3 PHE A 25 10.851 -4.237 -7.256 1.00 0.63 H new ATOM 0 HD1 PHE A 25 7.178 -3.978 -6.746 1.00 2.02 H new ATOM 0 HD2 PHE A 25 10.990 -2.411 -5.818 1.00 1.71 H new ATOM 0 HE1 PHE A 25 6.144 -2.482 -5.032 1.00 2.11 H new ATOM 0 HE2 PHE A 25 9.956 -0.909 -4.105 1.00 1.86 H new ATOM 0 HZ PHE A 25 7.545 -0.963 -3.734 1.00 1.17 H new ATOM 362 N SER A 26 11.396 -3.729 -10.375 1.00 0.67 N ATOM 363 CA SER A 26 12.387 -4.291 -11.278 1.00 0.80 C ATOM 364 C SER A 26 13.389 -5.139 -10.492 1.00 1.04 C ATOM 365 O SER A 26 14.228 -5.819 -11.081 1.00 1.18 O ATOM 366 CB SER A 26 13.114 -3.189 -12.051 1.00 1.15 C ATOM 367 OG SER A 26 14.064 -2.505 -11.237 1.00 3.28 O ATOM 0 H SER A 26 11.465 -2.720 -10.240 1.00 0.67 H new ATOM 0 HA SER A 26 11.873 -4.925 -12.000 1.00 0.80 H new ATOM 0 HB2 SER A 26 13.621 -3.624 -12.912 1.00 1.15 H new ATOM 0 HB3 SER A 26 12.386 -2.475 -12.436 1.00 1.15 H new ATOM 0 HG SER A 26 14.508 -1.810 -11.766 1.00 3.28 H new ATOM 373 N GLU A 27 13.268 -5.072 -9.174 1.00 1.25 N ATOM 374 CA GLU A 27 14.152 -5.827 -8.302 1.00 1.73 C ATOM 375 C GLU A 27 14.049 -5.310 -6.866 1.00 1.42 C ATOM 376 O GLU A 27 14.899 -4.544 -6.415 1.00 1.90 O ATOM 377 CB GLU A 27 15.597 -5.767 -8.803 1.00 2.40 C ATOM 378 CG GLU A 27 16.034 -7.117 -9.377 1.00 3.90 C ATOM 379 CD GLU A 27 16.680 -6.945 -10.753 1.00 4.93 C ATOM 380 OE1 GLU A 27 17.197 -5.834 -11.003 1.00 4.70 O ATOM 381 OE2 GLU A 27 16.641 -7.927 -11.525 1.00 6.52 O ATOM 0 H GLU A 27 12.571 -4.507 -8.689 1.00 1.25 H new ATOM 0 HA GLU A 27 13.839 -6.871 -8.315 1.00 1.73 H new ATOM 0 HB2 GLU A 27 15.689 -4.996 -9.568 1.00 2.40 H new ATOM 0 HB3 GLU A 27 16.258 -5.485 -7.984 1.00 2.40 H new ATOM 0 HG2 GLU A 27 16.740 -7.594 -8.697 1.00 3.90 H new ATOM 0 HG3 GLU A 27 15.171 -7.779 -9.456 1.00 3.90 H new ATOM 388 N ASN A 28 12.999 -5.749 -6.188 1.00 2.00 N ATOM 389 CA ASN A 28 12.773 -5.340 -4.811 1.00 2.63 C ATOM 390 C ASN A 28 13.398 -6.370 -3.869 1.00 2.12 C ATOM 391 O ASN A 28 14.035 -6.008 -2.881 1.00 2.70 O ATOM 392 CB ASN A 28 11.278 -5.260 -4.499 1.00 4.01 C ATOM 393 CG ASN A 28 10.610 -6.628 -4.654 1.00 3.80 C ATOM 394 OD1 ASN A 28 10.087 -6.978 -5.699 1.00 4.85 O ATOM 395 ND2 ASN A 28 10.658 -7.380 -3.558 1.00 3.49 N ATOM 0 H ASN A 28 12.295 -6.384 -6.566 1.00 2.00 H new ATOM 0 HA ASN A 28 13.223 -4.357 -4.673 1.00 2.63 H new ATOM 0 HB2 ASN A 28 11.134 -4.895 -3.482 1.00 4.01 H new ATOM 0 HB3 ASN A 28 10.802 -4.541 -5.166 1.00 4.01 H new ATOM 0 HD21 ASN A 28 10.241 -8.311 -3.560 1.00 3.49 H new ATOM 0 HD22 ASN A 28 11.112 -7.026 -2.716 1.00 3.49 H new ATOM 402 N LEU A 29 13.195 -7.636 -4.207 1.00 1.71 N ATOM 403 CA LEU A 29 13.730 -8.720 -3.403 1.00 2.46 C ATOM 404 C LEU A 29 13.611 -8.359 -1.922 1.00 2.34 C ATOM 405 O LEU A 29 14.566 -7.873 -1.319 1.00 3.36 O ATOM 406 CB LEU A 29 15.157 -9.058 -3.842 1.00 3.98 C ATOM 407 CG LEU A 29 15.974 -9.907 -2.866 1.00 5.39 C ATOM 408 CD1 LEU A 29 15.301 -11.258 -2.617 1.00 5.93 C ATOM 409 CD2 LEU A 29 17.416 -10.067 -3.354 1.00 6.50 C ATOM 0 H LEU A 29 12.667 -7.934 -5.027 1.00 1.71 H new ATOM 0 HA LEU A 29 13.150 -9.630 -3.556 1.00 2.46 H new ATOM 0 HB2 LEU A 29 15.108 -9.582 -4.796 1.00 3.98 H new ATOM 0 HB3 LEU A 29 15.693 -8.125 -4.018 1.00 3.98 H new ATOM 0 HG LEU A 29 16.012 -9.386 -1.910 1.00 5.39 H new ATOM 0 HD11 LEU A 29 15.903 -11.841 -1.920 1.00 5.93 H new ATOM 0 HD12 LEU A 29 14.309 -11.098 -2.194 1.00 5.93 H new ATOM 0 HD13 LEU A 29 15.211 -11.799 -3.559 1.00 5.93 H new ATOM 0 HD21 LEU A 29 17.976 -10.674 -2.643 1.00 6.50 H new ATOM 0 HD22 LEU A 29 17.418 -10.555 -4.329 1.00 6.50 H new ATOM 0 HD23 LEU A 29 17.882 -9.086 -3.439 1.00 6.50 H new ATOM 421 N VAL A 30 12.430 -8.610 -1.377 1.00 1.98 N ATOM 422 CA VAL A 30 12.172 -8.317 0.023 1.00 2.49 C ATOM 423 C VAL A 30 13.266 -8.955 0.882 1.00 2.14 C ATOM 424 O VAL A 30 14.367 -8.417 0.992 1.00 2.98 O ATOM 425 CB VAL A 30 10.766 -8.781 0.406 1.00 3.73 C ATOM 426 CG1 VAL A 30 10.534 -8.643 1.911 1.00 4.03 C ATOM 427 CG2 VAL A 30 9.703 -8.017 -0.386 1.00 5.46 C ATOM 0 H VAL A 30 11.640 -9.014 -1.880 1.00 1.98 H new ATOM 0 HA VAL A 30 12.203 -7.242 0.200 1.00 2.49 H new ATOM 0 HB VAL A 30 10.680 -9.837 0.150 1.00 3.73 H new ATOM 0 HG11 VAL A 30 9.527 -8.980 2.156 1.00 4.03 H new ATOM 0 HG12 VAL A 30 11.261 -9.252 2.449 1.00 4.03 H new ATOM 0 HG13 VAL A 30 10.649 -7.599 2.203 1.00 4.03 H new ATOM 0 HG21 VAL A 30 8.712 -8.366 -0.095 1.00 5.46 H new ATOM 0 HG22 VAL A 30 9.789 -6.951 -0.176 1.00 5.46 H new ATOM 0 HG23 VAL A 30 9.850 -8.189 -1.452 1.00 5.46 H new ATOM 437 N THR A 31 12.926 -10.093 1.468 1.00 2.13 N ATOM 438 CA THR A 31 13.866 -10.810 2.313 1.00 3.08 C ATOM 439 C THR A 31 14.602 -9.837 3.236 1.00 3.11 C ATOM 440 O THR A 31 15.781 -10.026 3.530 1.00 4.25 O ATOM 441 CB THR A 31 14.801 -11.612 1.406 1.00 4.10 C ATOM 442 OG1 THR A 31 15.638 -12.323 2.314 1.00 5.61 O ATOM 443 CG2 THR A 31 15.769 -10.720 0.628 1.00 4.73 C ATOM 0 H THR A 31 12.012 -10.537 1.375 1.00 2.13 H new ATOM 0 HA THR A 31 13.352 -11.509 2.973 1.00 3.08 H new ATOM 0 HB THR A 31 14.210 -12.203 0.706 1.00 4.10 H new ATOM 0 HG1 THR A 31 16.069 -11.690 2.926 1.00 5.61 H new ATOM 0 HG21 THR A 31 16.410 -11.339 0.000 1.00 4.73 H new ATOM 0 HG22 THR A 31 15.204 -10.030 0.001 1.00 4.73 H new ATOM 0 HG23 THR A 31 16.384 -10.154 1.327 1.00 4.73 H new ATOM 451 N GLN A 32 13.876 -8.817 3.668 1.00 2.29 N ATOM 452 CA GLN A 32 14.444 -7.813 4.553 1.00 2.54 C ATOM 453 C GLN A 32 13.335 -7.088 5.315 1.00 2.11 C ATOM 454 O GLN A 32 13.320 -5.859 5.376 1.00 3.17 O ATOM 455 CB GLN A 32 15.312 -6.824 3.772 1.00 2.94 C ATOM 456 CG GLN A 32 16.724 -6.752 4.357 1.00 3.93 C ATOM 457 CD GLN A 32 17.620 -7.840 3.761 1.00 4.56 C ATOM 458 OE1 GLN A 32 18.163 -8.683 4.456 1.00 5.03 O ATOM 459 NE2 GLN A 32 17.744 -7.774 2.438 1.00 5.32 N ATOM 0 H GLN A 32 12.898 -8.663 3.422 1.00 2.29 H new ATOM 0 HA GLN A 32 15.085 -8.315 5.278 1.00 2.54 H new ATOM 0 HB2 GLN A 32 15.363 -7.127 2.726 1.00 2.94 H new ATOM 0 HB3 GLN A 32 14.854 -5.835 3.796 1.00 2.94 H new ATOM 0 HG2 GLN A 32 17.155 -5.771 4.157 1.00 3.93 H new ATOM 0 HG3 GLN A 32 16.679 -6.866 5.440 1.00 3.93 H new ATOM 0 HE21 GLN A 32 17.262 -7.042 1.916 1.00 5.32 H new ATOM 0 HE22 GLN A 32 18.321 -8.455 1.945 1.00 5.32 H new ATOM 468 N PHE A 33 12.433 -7.878 5.879 1.00 2.21 N ATOM 469 CA PHE A 33 11.322 -7.325 6.635 1.00 2.34 C ATOM 470 C PHE A 33 10.678 -6.155 5.889 1.00 1.91 C ATOM 471 O PHE A 33 10.629 -5.038 6.403 1.00 2.10 O ATOM 472 CB PHE A 33 11.893 -6.817 7.961 1.00 3.37 C ATOM 473 CG PHE A 33 12.147 -7.920 8.992 1.00 3.97 C ATOM 474 CD1 PHE A 33 11.125 -8.721 9.396 1.00 5.04 C ATOM 475 CD2 PHE A 33 13.393 -8.098 9.504 1.00 4.03 C ATOM 476 CE1 PHE A 33 11.360 -9.744 10.353 1.00 5.69 C ATOM 477 CE2 PHE A 33 13.629 -9.120 10.461 1.00 4.57 C ATOM 478 CZ PHE A 33 12.607 -9.921 10.865 1.00 5.20 C ATOM 0 H PHE A 33 12.449 -8.897 5.828 1.00 2.21 H new ATOM 0 HA PHE A 33 10.558 -8.088 6.786 1.00 2.34 H new ATOM 0 HB2 PHE A 33 12.829 -6.294 7.765 1.00 3.37 H new ATOM 0 HB3 PHE A 33 11.203 -6.088 8.386 1.00 3.37 H new ATOM 0 HD1 PHE A 33 10.135 -8.579 8.989 1.00 5.04 H new ATOM 0 HD2 PHE A 33 14.204 -7.462 9.183 1.00 4.03 H new ATOM 0 HE1 PHE A 33 10.549 -10.381 10.674 1.00 5.69 H new ATOM 0 HE2 PHE A 33 14.619 -9.261 10.868 1.00 4.57 H new ATOM 0 HZ PHE A 33 12.786 -10.698 11.593 1.00 5.20 H new ATOM 488 N SER A 34 10.201 -6.450 4.689 1.00 1.51 N ATOM 489 CA SER A 34 9.563 -5.436 3.867 1.00 1.24 C ATOM 490 C SER A 34 8.088 -5.783 3.660 1.00 0.78 C ATOM 491 O SER A 34 7.659 -6.896 3.966 1.00 0.94 O ATOM 492 CB SER A 34 10.270 -5.295 2.518 1.00 1.39 C ATOM 493 OG SER A 34 9.345 -5.168 1.441 1.00 1.49 O ATOM 0 H SER A 34 10.244 -7.377 4.266 1.00 1.51 H new ATOM 0 HA SER A 34 9.635 -4.480 4.385 1.00 1.24 H new ATOM 0 HB2 SER A 34 10.923 -4.422 2.540 1.00 1.39 H new ATOM 0 HB3 SER A 34 10.906 -6.164 2.349 1.00 1.39 H new ATOM 0 HG SER A 34 9.028 -4.242 1.390 1.00 1.49 H new ATOM 499 N GLY A 35 7.352 -4.812 3.142 1.00 0.57 N ATOM 500 CA GLY A 35 5.933 -5.000 2.889 1.00 0.71 C ATOM 501 C GLY A 35 5.191 -3.663 2.901 1.00 0.63 C ATOM 502 O GLY A 35 5.811 -2.604 2.804 1.00 0.83 O ATOM 0 H GLY A 35 7.711 -3.891 2.890 1.00 0.57 H new ATOM 0 HA2 GLY A 35 5.794 -5.488 1.924 1.00 0.71 H new ATOM 0 HA3 GLY A 35 5.510 -5.661 3.645 1.00 0.71 H new ATOM 506 N ALA A 36 3.874 -3.753 3.019 1.00 0.61 N ATOM 507 CA ALA A 36 3.041 -2.563 3.044 1.00 0.58 C ATOM 508 C ALA A 36 1.909 -2.759 4.054 1.00 0.57 C ATOM 509 O ALA A 36 1.702 -3.865 4.553 1.00 0.67 O ATOM 510 CB ALA A 36 2.521 -2.274 1.635 1.00 0.81 C ATOM 0 H ALA A 36 3.363 -4.632 3.098 1.00 0.61 H new ATOM 0 HA ALA A 36 3.620 -1.696 3.362 1.00 0.58 H new ATOM 0 HB1 ALA A 36 1.896 -1.381 1.654 1.00 0.81 H new ATOM 0 HB2 ALA A 36 3.363 -2.113 0.962 1.00 0.81 H new ATOM 0 HB3 ALA A 36 1.933 -3.121 1.283 1.00 0.81 H new ATOM 516 N LYS A 37 1.206 -1.669 4.327 1.00 0.50 N ATOM 517 CA LYS A 37 0.101 -1.707 5.270 1.00 0.56 C ATOM 518 C LYS A 37 -0.874 -0.573 4.951 1.00 0.51 C ATOM 519 O LYS A 37 -0.465 0.577 4.795 1.00 0.47 O ATOM 520 CB LYS A 37 0.621 -1.686 6.708 1.00 0.62 C ATOM 521 CG LYS A 37 0.445 -3.051 7.376 1.00 0.83 C ATOM 522 CD LYS A 37 -0.740 -3.038 8.343 1.00 2.13 C ATOM 523 CE LYS A 37 -1.983 -3.653 7.697 1.00 3.97 C ATOM 524 NZ LYS A 37 -2.728 -4.470 8.680 1.00 4.89 N ATOM 0 H LYS A 37 1.380 -0.754 3.911 1.00 0.50 H new ATOM 0 HA LYS A 37 -0.452 -2.641 5.171 1.00 0.56 H new ATOM 0 HB2 LYS A 37 1.675 -1.408 6.713 1.00 0.62 H new ATOM 0 HB3 LYS A 37 0.088 -0.926 7.280 1.00 0.62 H new ATOM 0 HG2 LYS A 37 0.290 -3.815 6.615 1.00 0.83 H new ATOM 0 HG3 LYS A 37 1.355 -3.317 7.914 1.00 0.83 H new ATOM 0 HD2 LYS A 37 -0.483 -3.592 9.246 1.00 2.13 H new ATOM 0 HD3 LYS A 37 -0.954 -2.014 8.648 1.00 2.13 H new ATOM 0 HE2 LYS A 37 -2.627 -2.864 7.309 1.00 3.97 H new ATOM 0 HE3 LYS A 37 -1.691 -4.272 6.848 1.00 3.97 H new ATOM 0 HZ1 LYS A 37 -2.915 -5.411 8.279 1.00 4.89 H new ATOM 0 HZ2 LYS A 37 -2.163 -4.569 9.548 1.00 4.89 H new ATOM 0 HZ3 LYS A 37 -3.630 -4.005 8.905 1.00 4.89 H new ATOM 538 N LEU A 38 -2.146 -0.935 4.863 1.00 0.52 N ATOM 539 CA LEU A 38 -3.182 0.039 4.566 1.00 0.49 C ATOM 540 C LEU A 38 -3.764 0.574 5.877 1.00 0.49 C ATOM 541 O LEU A 38 -4.061 -0.197 6.788 1.00 0.56 O ATOM 542 CB LEU A 38 -4.231 -0.564 3.628 1.00 0.52 C ATOM 543 CG LEU A 38 -5.599 0.119 3.626 1.00 0.47 C ATOM 544 CD1 LEU A 38 -5.459 1.631 3.440 1.00 0.56 C ATOM 545 CD2 LEU A 38 -6.522 -0.505 2.576 1.00 0.61 C ATOM 0 H LEU A 38 -2.482 -1.889 4.992 1.00 0.52 H new ATOM 0 HA LEU A 38 -2.762 0.891 4.032 1.00 0.49 H new ATOM 0 HB2 LEU A 38 -3.836 -0.545 2.612 1.00 0.52 H new ATOM 0 HB3 LEU A 38 -4.370 -1.611 3.896 1.00 0.52 H new ATOM 0 HG LEU A 38 -6.062 -0.043 4.599 1.00 0.47 H new ATOM 0 HD11 LEU A 38 -6.447 2.091 3.442 1.00 0.56 H new ATOM 0 HD12 LEU A 38 -4.864 2.044 4.255 1.00 0.56 H new ATOM 0 HD13 LEU A 38 -4.966 1.837 2.490 1.00 0.56 H new ATOM 0 HD21 LEU A 38 -7.488 -0.001 2.595 1.00 0.61 H new ATOM 0 HD22 LEU A 38 -6.075 -0.395 1.588 1.00 0.61 H new ATOM 0 HD23 LEU A 38 -6.660 -1.564 2.796 1.00 0.61 H new ATOM 557 N VAL A 39 -3.909 1.890 5.929 1.00 0.47 N ATOM 558 CA VAL A 39 -4.449 2.537 7.112 1.00 0.49 C ATOM 559 C VAL A 39 -5.547 3.517 6.695 1.00 0.46 C ATOM 560 O VAL A 39 -5.378 4.274 5.740 1.00 0.47 O ATOM 561 CB VAL A 39 -3.323 3.202 7.906 1.00 0.55 C ATOM 562 CG1 VAL A 39 -2.264 2.177 8.319 1.00 0.60 C ATOM 563 CG2 VAL A 39 -2.695 4.348 7.111 1.00 0.67 C ATOM 0 H VAL A 39 -3.662 2.526 5.171 1.00 0.47 H new ATOM 0 HA VAL A 39 -4.904 1.802 7.775 1.00 0.49 H new ATOM 0 HB VAL A 39 -3.756 3.621 8.814 1.00 0.55 H new ATOM 0 HG11 VAL A 39 -1.475 2.676 8.882 1.00 0.60 H new ATOM 0 HG12 VAL A 39 -2.724 1.409 8.941 1.00 0.60 H new ATOM 0 HG13 VAL A 39 -1.838 1.715 7.428 1.00 0.60 H new ATOM 0 HG21 VAL A 39 -1.897 4.804 7.698 1.00 0.67 H new ATOM 0 HG22 VAL A 39 -2.284 3.961 6.178 1.00 0.67 H new ATOM 0 HG23 VAL A 39 -3.456 5.097 6.889 1.00 0.67 H new ATOM 573 N MET A 40 -6.647 3.473 7.432 1.00 0.47 N ATOM 574 CA MET A 40 -7.772 4.349 7.151 1.00 0.47 C ATOM 575 C MET A 40 -7.613 5.693 7.865 1.00 0.55 C ATOM 576 O MET A 40 -7.995 5.832 9.026 1.00 0.59 O ATOM 577 CB MET A 40 -9.068 3.677 7.609 1.00 0.49 C ATOM 578 CG MET A 40 -10.250 4.645 7.515 1.00 0.55 C ATOM 579 SD MET A 40 -10.953 4.910 9.134 1.00 1.10 S ATOM 580 CE MET A 40 -12.392 3.860 9.022 1.00 1.81 C ATOM 0 H MET A 40 -6.783 2.844 8.224 1.00 0.47 H new ATOM 0 HA MET A 40 -7.807 4.532 6.077 1.00 0.47 H new ATOM 0 HB2 MET A 40 -9.263 2.798 6.994 1.00 0.49 H new ATOM 0 HB3 MET A 40 -8.958 3.330 8.636 1.00 0.49 H new ATOM 0 HG2 MET A 40 -9.920 5.594 7.093 1.00 0.55 H new ATOM 0 HG3 MET A 40 -11.007 4.243 6.842 1.00 0.55 H new ATOM 0 HE1 MET A 40 -12.951 3.907 9.957 1.00 1.81 H new ATOM 0 HE2 MET A 40 -13.026 4.198 8.203 1.00 1.81 H new ATOM 0 HE3 MET A 40 -12.079 2.832 8.838 1.00 1.81 H new ATOM 590 N THR A 41 -7.049 6.648 7.141 1.00 0.58 N ATOM 591 CA THR A 41 -6.834 7.976 7.690 1.00 0.68 C ATOM 592 C THR A 41 -7.624 9.016 6.894 1.00 0.86 C ATOM 593 O THR A 41 -7.045 9.947 6.336 1.00 1.02 O ATOM 594 CB THR A 41 -5.327 8.242 7.711 1.00 0.80 C ATOM 595 OG1 THR A 41 -5.222 9.610 8.094 1.00 0.87 O ATOM 596 CG2 THR A 41 -4.705 8.197 6.313 1.00 1.08 C ATOM 0 H THR A 41 -6.734 6.529 6.178 1.00 0.58 H new ATOM 0 HA THR A 41 -7.204 8.046 8.713 1.00 0.68 H new ATOM 0 HB THR A 41 -4.837 7.507 8.350 1.00 0.80 H new ATOM 0 HG1 THR A 41 -5.532 10.180 7.360 1.00 0.87 H new ATOM 0 HG21 THR A 41 -3.635 8.392 6.384 1.00 1.08 H new ATOM 0 HG22 THR A 41 -4.866 7.212 5.875 1.00 1.08 H new ATOM 0 HG23 THR A 41 -5.171 8.955 5.683 1.00 1.08 H new ATOM 604 N ALA A 42 -8.935 8.824 6.868 1.00 0.90 N ATOM 605 CA ALA A 42 -9.810 9.734 6.149 1.00 1.14 C ATOM 606 C ALA A 42 -9.858 11.075 6.884 1.00 1.06 C ATOM 607 O ALA A 42 -9.497 12.108 6.323 1.00 2.07 O ATOM 608 CB ALA A 42 -11.195 9.101 6.001 1.00 1.44 C ATOM 0 H ALA A 42 -9.412 8.052 7.333 1.00 0.90 H new ATOM 0 HA ALA A 42 -9.428 9.921 5.145 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -11.851 9.784 5.462 1.00 1.44 H new ATOM 0 HB2 ALA A 42 -11.110 8.166 5.447 1.00 1.44 H new ATOM 0 HB3 ALA A 42 -11.611 8.902 6.988 1.00 1.44 H new ATOM 614 N MET A 43 -10.307 11.016 8.130 1.00 1.26 N ATOM 615 CA MET A 43 -10.407 12.213 8.947 1.00 1.58 C ATOM 616 C MET A 43 -9.477 12.129 10.158 1.00 1.69 C ATOM 617 O MET A 43 -9.317 11.062 10.750 1.00 1.90 O ATOM 618 CB MET A 43 -11.851 12.388 9.422 1.00 2.07 C ATOM 619 CG MET A 43 -12.773 12.744 8.255 1.00 2.55 C ATOM 620 SD MET A 43 -13.961 11.438 7.993 1.00 4.27 S ATOM 621 CE MET A 43 -15.225 11.931 9.153 1.00 5.50 C ATOM 0 H MET A 43 -10.605 10.158 8.593 1.00 1.26 H new ATOM 0 HA MET A 43 -10.108 13.069 8.342 1.00 1.58 H new ATOM 0 HB2 MET A 43 -12.196 11.469 9.895 1.00 2.07 H new ATOM 0 HB3 MET A 43 -11.896 13.172 10.178 1.00 2.07 H new ATOM 0 HG2 MET A 43 -13.290 13.681 8.463 1.00 2.55 H new ATOM 0 HG3 MET A 43 -12.185 12.898 7.350 1.00 2.55 H new ATOM 0 HE1 MET A 43 -16.049 11.218 9.118 1.00 5.50 H new ATOM 0 HE2 MET A 43 -14.807 11.954 10.159 1.00 5.50 H new ATOM 0 HE3 MET A 43 -15.593 12.923 8.891 1.00 5.50 H new ATOM 631 N PRO A 44 -8.873 13.297 10.502 1.00 1.95 N ATOM 632 CA PRO A 44 -7.963 13.365 11.633 1.00 2.21 C ATOM 633 C PRO A 44 -8.730 13.334 12.956 1.00 2.86 C ATOM 634 O PRO A 44 -8.778 14.330 13.675 1.00 3.62 O ATOM 635 CB PRO A 44 -7.180 14.653 11.431 1.00 2.58 C ATOM 636 CG PRO A 44 -7.995 15.487 10.456 1.00 2.85 C ATOM 637 CD PRO A 44 -9.039 14.580 9.826 1.00 2.37 C ATOM 0 HA PRO A 44 -7.290 12.509 11.684 1.00 2.21 H new ATOM 0 HB2 PRO A 44 -7.043 15.179 12.376 1.00 2.58 H new ATOM 0 HB3 PRO A 44 -6.186 14.448 11.034 1.00 2.58 H new ATOM 0 HG2 PRO A 44 -8.474 16.319 10.973 1.00 2.85 H new ATOM 0 HG3 PRO A 44 -7.350 15.917 9.689 1.00 2.85 H new ATOM 0 HD2 PRO A 44 -10.045 14.975 9.969 1.00 2.37 H new ATOM 0 HD3 PRO A 44 -8.884 14.484 8.751 1.00 2.37 H new ATOM 645 N GLY A 45 -9.311 12.176 13.239 1.00 3.09 N ATOM 646 CA GLY A 45 -10.073 12.001 14.464 1.00 3.93 C ATOM 647 C GLY A 45 -9.369 12.667 15.647 1.00 3.30 C ATOM 648 O GLY A 45 -9.858 13.657 16.189 1.00 3.17 O ATOM 0 H GLY A 45 -9.269 11.351 12.641 1.00 3.09 H new ATOM 0 HA2 GLY A 45 -11.068 12.428 14.341 1.00 3.93 H new ATOM 0 HA3 GLY A 45 -10.205 10.938 14.666 1.00 3.93 H new ATOM 652 N MET A 46 -8.231 12.096 16.016 1.00 3.26 N ATOM 653 CA MET A 46 -7.455 12.621 17.126 1.00 3.19 C ATOM 654 C MET A 46 -6.086 13.115 16.653 1.00 2.90 C ATOM 655 O MET A 46 -5.120 12.354 16.636 1.00 3.46 O ATOM 656 CB MET A 46 -7.267 11.529 18.181 1.00 4.22 C ATOM 657 CG MET A 46 -8.499 11.419 19.082 1.00 4.74 C ATOM 658 SD MET A 46 -8.055 11.795 20.770 1.00 5.44 S ATOM 659 CE MET A 46 -9.582 12.522 21.338 1.00 5.28 C ATOM 0 H MET A 46 -7.828 11.274 15.565 1.00 3.26 H new ATOM 0 HA MET A 46 -7.996 13.464 17.556 1.00 3.19 H new ATOM 0 HB2 MET A 46 -7.084 10.573 17.691 1.00 4.22 H new ATOM 0 HB3 MET A 46 -6.388 11.751 18.786 1.00 4.22 H new ATOM 0 HG2 MET A 46 -9.273 12.105 18.739 1.00 4.74 H new ATOM 0 HG3 MET A 46 -8.915 10.413 19.022 1.00 4.74 H new ATOM 0 HE1 MET A 46 -9.479 12.816 22.382 1.00 5.28 H new ATOM 0 HE2 MET A 46 -9.813 13.400 20.735 1.00 5.28 H new ATOM 0 HE3 MET A 46 -10.388 11.795 21.244 1.00 5.28 H new ATOM 669 N GLU A 47 -6.048 14.386 16.280 1.00 2.45 N ATOM 670 CA GLU A 47 -4.813 14.990 15.807 1.00 2.82 C ATOM 671 C GLU A 47 -4.030 13.994 14.950 1.00 2.89 C ATOM 672 O GLU A 47 -3.007 13.466 15.384 1.00 3.54 O ATOM 673 CB GLU A 47 -3.965 15.492 16.978 1.00 3.67 C ATOM 674 CG GLU A 47 -3.898 17.020 16.991 1.00 4.23 C ATOM 675 CD GLU A 47 -5.301 17.631 17.018 1.00 5.77 C ATOM 676 OE1 GLU A 47 -5.948 17.742 15.966 1.00 6.88 O ATOM 677 OE2 GLU A 47 -5.715 17.995 18.184 1.00 6.63 O ATOM 0 H GLU A 47 -6.852 15.014 16.296 1.00 2.45 H new ATOM 0 HA GLU A 47 -5.066 15.851 15.189 1.00 2.82 H new ATOM 0 HB2 GLU A 47 -4.388 15.135 17.917 1.00 3.67 H new ATOM 0 HB3 GLU A 47 -2.958 15.081 16.905 1.00 3.67 H new ATOM 0 HG2 GLU A 47 -3.335 17.355 17.862 1.00 4.23 H new ATOM 0 HG3 GLU A 47 -3.361 17.371 16.110 1.00 4.23 H new ATOM 684 N HIS A 48 -4.539 13.769 13.748 1.00 2.39 N ATOM 685 CA HIS A 48 -3.899 12.847 12.825 1.00 2.48 C ATOM 686 C HIS A 48 -3.726 11.484 13.499 1.00 2.05 C ATOM 687 O HIS A 48 -2.663 11.186 14.041 1.00 2.34 O ATOM 688 CB HIS A 48 -2.580 13.423 12.307 1.00 3.18 C ATOM 689 CG HIS A 48 -2.588 13.743 10.832 1.00 3.92 C ATOM 690 ND1 HIS A 48 -2.773 12.780 9.857 1.00 4.60 N ATOM 691 CD2 HIS A 48 -2.431 14.929 10.177 1.00 5.09 C ATOM 692 CE1 HIS A 48 -2.728 13.369 8.671 1.00 5.68 C ATOM 693 NE2 HIS A 48 -2.515 14.701 8.871 1.00 5.92 N ATOM 0 H HIS A 48 -5.387 14.209 13.392 1.00 2.39 H new ATOM 0 HA HIS A 48 -4.534 12.704 11.950 1.00 2.48 H new ATOM 0 HB2 HIS A 48 -2.348 14.331 12.864 1.00 3.18 H new ATOM 0 HB3 HIS A 48 -1.780 12.711 12.510 1.00 3.18 H new ATOM 0 HD2 HIS A 48 -2.266 15.890 10.641 1.00 5.09 H new ATOM 0 HE1 HIS A 48 -2.840 12.880 7.714 1.00 5.68 H new ATOM 0 HE2 HIS A 48 -2.434 15.406 8.138 1.00 5.92 H new ATOM 701 N SER A 49 -4.788 10.693 13.444 1.00 1.60 N ATOM 702 CA SER A 49 -4.767 9.370 14.043 1.00 1.42 C ATOM 703 C SER A 49 -5.165 8.319 13.004 1.00 1.20 C ATOM 704 O SER A 49 -6.350 8.039 12.822 1.00 1.22 O ATOM 705 CB SER A 49 -5.698 9.298 15.254 1.00 1.54 C ATOM 706 OG SER A 49 -5.029 8.812 16.415 1.00 2.22 O ATOM 0 H SER A 49 -5.668 10.943 12.994 1.00 1.60 H new ATOM 0 HA SER A 49 -3.753 9.167 14.387 1.00 1.42 H new ATOM 0 HB2 SER A 49 -6.104 10.289 15.458 1.00 1.54 H new ATOM 0 HB3 SER A 49 -6.542 8.648 15.024 1.00 1.54 H new ATOM 0 HG SER A 49 -5.657 8.783 17.166 1.00 2.22 H new ATOM 712 N PRO A 50 -4.129 7.752 12.332 1.00 1.17 N ATOM 713 CA PRO A 50 -4.359 6.738 11.317 1.00 1.15 C ATOM 714 C PRO A 50 -4.726 5.397 11.955 1.00 1.04 C ATOM 715 O PRO A 50 -4.206 5.045 13.013 1.00 1.21 O ATOM 716 CB PRO A 50 -3.068 6.682 10.517 1.00 1.37 C ATOM 717 CG PRO A 50 -2.006 7.325 11.394 1.00 1.49 C ATOM 718 CD PRO A 50 -2.714 8.058 12.522 1.00 1.37 C ATOM 0 HA PRO A 50 -5.203 6.975 10.669 1.00 1.15 H new ATOM 0 HB2 PRO A 50 -2.803 5.653 10.274 1.00 1.37 H new ATOM 0 HB3 PRO A 50 -3.170 7.216 9.572 1.00 1.37 H new ATOM 0 HG2 PRO A 50 -1.332 6.568 11.795 1.00 1.49 H new ATOM 0 HG3 PRO A 50 -1.398 8.017 10.812 1.00 1.49 H new ATOM 0 HD2 PRO A 50 -2.363 7.719 13.497 1.00 1.37 H new ATOM 0 HD3 PRO A 50 -2.531 9.131 12.473 1.00 1.37 H new ATOM 726 N MET A 51 -5.618 4.683 11.284 1.00 0.86 N ATOM 727 CA MET A 51 -6.060 3.388 11.771 1.00 0.82 C ATOM 728 C MET A 51 -5.689 2.276 10.788 1.00 0.76 C ATOM 729 O MET A 51 -6.023 2.350 9.606 1.00 0.90 O ATOM 730 CB MET A 51 -7.577 3.408 11.970 1.00 0.87 C ATOM 731 CG MET A 51 -7.939 3.888 13.377 1.00 1.09 C ATOM 732 SD MET A 51 -7.306 2.745 14.594 1.00 2.65 S ATOM 733 CE MET A 51 -7.141 3.841 15.993 1.00 3.29 C ATOM 0 H MET A 51 -6.047 4.977 10.407 1.00 0.86 H new ATOM 0 HA MET A 51 -5.562 3.189 12.720 1.00 0.82 H new ATOM 0 HB2 MET A 51 -8.036 4.063 11.229 1.00 0.87 H new ATOM 0 HB3 MET A 51 -7.982 2.409 11.807 1.00 0.87 H new ATOM 0 HG2 MET A 51 -7.525 4.881 13.549 1.00 1.09 H new ATOM 0 HG3 MET A 51 -9.021 3.973 13.474 1.00 1.09 H new ATOM 0 HE1 MET A 51 -6.754 3.285 16.847 1.00 3.29 H new ATOM 0 HE2 MET A 51 -6.452 4.648 15.744 1.00 3.29 H new ATOM 0 HE3 MET A 51 -8.115 4.260 16.244 1.00 3.29 H new ATOM 743 N ALA A 52 -5.003 1.271 11.312 1.00 0.69 N ATOM 744 CA ALA A 52 -4.584 0.144 10.495 1.00 0.66 C ATOM 745 C ALA A 52 -5.806 -0.698 10.130 1.00 0.61 C ATOM 746 O ALA A 52 -6.720 -0.857 10.938 1.00 0.64 O ATOM 747 CB ALA A 52 -3.521 -0.662 11.245 1.00 0.74 C ATOM 0 H ALA A 52 -4.727 1.213 12.292 1.00 0.69 H new ATOM 0 HA ALA A 52 -4.134 0.490 9.564 1.00 0.66 H new ATOM 0 HB1 ALA A 52 -3.206 -1.507 10.633 1.00 0.74 H new ATOM 0 HB2 ALA A 52 -2.661 -0.025 11.454 1.00 0.74 H new ATOM 0 HB3 ALA A 52 -3.937 -1.029 12.183 1.00 0.74 H new ATOM 753 N VAL A 53 -5.784 -1.219 8.911 1.00 0.57 N ATOM 754 CA VAL A 53 -6.879 -2.042 8.429 1.00 0.57 C ATOM 755 C VAL A 53 -6.429 -3.504 8.378 1.00 0.60 C ATOM 756 O VAL A 53 -5.244 -3.797 8.524 1.00 0.84 O ATOM 757 CB VAL A 53 -7.370 -1.520 7.077 1.00 0.60 C ATOM 758 CG1 VAL A 53 -6.529 -2.089 5.932 1.00 0.62 C ATOM 759 CG2 VAL A 53 -8.854 -1.832 6.874 1.00 0.69 C ATOM 0 H VAL A 53 -5.024 -1.086 8.243 1.00 0.57 H new ATOM 0 HA VAL A 53 -7.727 -1.987 9.111 1.00 0.57 H new ATOM 0 HB VAL A 53 -7.252 -0.436 7.074 1.00 0.60 H new ATOM 0 HG11 VAL A 53 -6.899 -1.703 4.982 1.00 0.62 H new ATOM 0 HG12 VAL A 53 -5.488 -1.794 6.064 1.00 0.62 H new ATOM 0 HG13 VAL A 53 -6.601 -3.177 5.934 1.00 0.62 H new ATOM 0 HG21 VAL A 53 -9.177 -1.450 5.906 1.00 0.69 H new ATOM 0 HG22 VAL A 53 -9.007 -2.911 6.908 1.00 0.69 H new ATOM 0 HG23 VAL A 53 -9.437 -1.358 7.664 1.00 0.69 H new ATOM 769 N LYS A 54 -7.399 -4.382 8.168 1.00 0.63 N ATOM 770 CA LYS A 54 -7.117 -5.805 8.096 1.00 0.69 C ATOM 771 C LYS A 54 -6.990 -6.222 6.630 1.00 0.67 C ATOM 772 O LYS A 54 -7.992 -6.480 5.964 1.00 0.82 O ATOM 773 CB LYS A 54 -8.170 -6.600 8.871 1.00 0.80 C ATOM 774 CG LYS A 54 -8.298 -8.022 8.323 1.00 2.23 C ATOM 775 CD LYS A 54 -8.554 -9.024 9.451 1.00 2.53 C ATOM 776 CE LYS A 54 -7.857 -10.356 9.171 1.00 4.10 C ATOM 777 NZ LYS A 54 -7.041 -10.770 10.334 1.00 4.58 N ATOM 0 H LYS A 54 -8.381 -4.135 8.045 1.00 0.63 H new ATOM 0 HA LYS A 54 -6.164 -6.029 8.576 1.00 0.69 H new ATOM 0 HB2 LYS A 54 -7.899 -6.636 9.926 1.00 0.80 H new ATOM 0 HB3 LYS A 54 -9.133 -6.094 8.806 1.00 0.80 H new ATOM 0 HG2 LYS A 54 -9.114 -8.065 7.601 1.00 2.23 H new ATOM 0 HG3 LYS A 54 -7.387 -8.294 7.790 1.00 2.23 H new ATOM 0 HD2 LYS A 54 -8.195 -8.613 10.395 1.00 2.53 H new ATOM 0 HD3 LYS A 54 -9.626 -9.187 9.561 1.00 2.53 H new ATOM 0 HE2 LYS A 54 -8.600 -11.122 8.950 1.00 4.10 H new ATOM 0 HE3 LYS A 54 -7.223 -10.263 8.289 1.00 4.10 H new ATOM 0 HZ1 LYS A 54 -6.575 -11.676 10.126 1.00 4.58 H new ATOM 0 HZ2 LYS A 54 -6.320 -10.046 10.527 1.00 4.58 H new ATOM 0 HZ3 LYS A 54 -7.654 -10.879 11.167 1.00 4.58 H new ATOM 791 N ALA A 55 -5.749 -6.274 6.168 1.00 0.64 N ATOM 792 CA ALA A 55 -5.478 -6.655 4.793 1.00 0.62 C ATOM 793 C ALA A 55 -4.300 -7.630 4.761 1.00 0.59 C ATOM 794 O ALA A 55 -3.677 -7.890 5.789 1.00 0.61 O ATOM 795 CB ALA A 55 -5.218 -5.400 3.957 1.00 0.67 C ATOM 0 H ALA A 55 -4.920 -6.058 6.722 1.00 0.64 H new ATOM 0 HA ALA A 55 -6.339 -7.164 4.359 1.00 0.62 H new ATOM 0 HB1 ALA A 55 -5.015 -5.686 2.925 1.00 0.67 H new ATOM 0 HB2 ALA A 55 -6.095 -4.754 3.988 1.00 0.67 H new ATOM 0 HB3 ALA A 55 -4.359 -4.865 4.361 1.00 0.67 H new ATOM 801 N ALA A 56 -4.030 -8.144 3.569 1.00 0.59 N ATOM 802 CA ALA A 56 -2.937 -9.085 3.390 1.00 0.60 C ATOM 803 C ALA A 56 -2.174 -8.736 2.110 1.00 0.53 C ATOM 804 O ALA A 56 -2.763 -8.254 1.145 1.00 0.50 O ATOM 805 CB ALA A 56 -3.490 -10.511 3.369 1.00 0.68 C ATOM 0 H ALA A 56 -4.549 -7.926 2.718 1.00 0.59 H new ATOM 0 HA ALA A 56 -2.234 -9.020 4.221 1.00 0.60 H new ATOM 0 HB1 ALA A 56 -2.671 -11.217 3.235 1.00 0.68 H new ATOM 0 HB2 ALA A 56 -3.997 -10.719 4.311 1.00 0.68 H new ATOM 0 HB3 ALA A 56 -4.197 -10.615 2.546 1.00 0.68 H new ATOM 811 N VAL A 57 -0.875 -8.996 2.145 1.00 0.56 N ATOM 812 CA VAL A 57 -0.026 -8.714 1.000 1.00 0.52 C ATOM 813 C VAL A 57 0.390 -10.033 0.344 1.00 0.54 C ATOM 814 O VAL A 57 0.946 -10.910 1.003 1.00 0.59 O ATOM 815 CB VAL A 57 1.168 -7.859 1.431 1.00 0.56 C ATOM 816 CG1 VAL A 57 0.717 -6.694 2.313 1.00 1.77 C ATOM 817 CG2 VAL A 57 2.223 -8.709 2.141 1.00 1.81 C ATOM 0 H VAL A 57 -0.390 -9.398 2.947 1.00 0.56 H new ATOM 0 HA VAL A 57 -0.570 -8.135 0.254 1.00 0.52 H new ATOM 0 HB VAL A 57 1.624 -7.442 0.533 1.00 0.56 H new ATOM 0 HG11 VAL A 57 1.584 -6.102 2.606 1.00 1.77 H new ATOM 0 HG12 VAL A 57 0.020 -6.066 1.758 1.00 1.77 H new ATOM 0 HG13 VAL A 57 0.225 -7.082 3.205 1.00 1.77 H new ATOM 0 HG21 VAL A 57 3.061 -8.077 2.437 1.00 1.81 H new ATOM 0 HG22 VAL A 57 1.784 -9.168 3.027 1.00 1.81 H new ATOM 0 HG23 VAL A 57 2.577 -9.488 1.466 1.00 1.81 H new ATOM 827 N SER A 58 0.102 -10.131 -0.946 1.00 0.54 N ATOM 828 CA SER A 58 0.438 -11.328 -1.699 1.00 0.60 C ATOM 829 C SER A 58 0.989 -10.944 -3.074 1.00 0.65 C ATOM 830 O SER A 58 0.407 -10.112 -3.769 1.00 1.17 O ATOM 831 CB SER A 58 -0.778 -12.243 -1.851 1.00 0.75 C ATOM 832 OG SER A 58 -1.570 -12.279 -0.667 1.00 0.83 O ATOM 0 H SER A 58 -0.360 -9.401 -1.489 1.00 0.54 H new ATOM 0 HA SER A 58 1.203 -11.875 -1.148 1.00 0.60 H new ATOM 0 HB2 SER A 58 -1.389 -11.899 -2.685 1.00 0.75 H new ATOM 0 HB3 SER A 58 -0.445 -13.252 -2.095 1.00 0.75 H new ATOM 0 HG SER A 58 -2.337 -12.873 -0.805 1.00 0.83 H new ATOM 838 N GLY A 59 2.103 -11.567 -3.424 1.00 0.54 N ATOM 839 CA GLY A 59 2.739 -11.301 -4.705 1.00 0.53 C ATOM 840 C GLY A 59 1.967 -11.962 -5.848 1.00 0.66 C ATOM 841 O GLY A 59 1.240 -12.930 -5.632 1.00 0.81 O ATOM 0 H GLY A 59 2.583 -12.255 -2.844 1.00 0.54 H new ATOM 0 HA2 GLY A 59 2.793 -10.225 -4.872 1.00 0.53 H new ATOM 0 HA3 GLY A 59 3.764 -11.673 -4.691 1.00 0.53 H new ATOM 845 N GLY A 60 2.151 -11.412 -7.040 1.00 0.69 N ATOM 846 CA GLY A 60 1.481 -11.936 -8.217 1.00 0.91 C ATOM 847 C GLY A 60 2.301 -13.056 -8.862 1.00 1.03 C ATOM 848 O GLY A 60 2.505 -13.061 -10.075 1.00 2.31 O ATOM 0 H GLY A 60 2.755 -10.609 -7.215 1.00 0.69 H new ATOM 0 HA2 GLY A 60 0.496 -12.314 -7.941 1.00 0.91 H new ATOM 0 HA3 GLY A 60 1.324 -11.134 -8.938 1.00 0.91 H new ATOM 852 N GLY A 61 2.748 -13.977 -8.021 1.00 1.78 N ATOM 853 CA GLY A 61 3.542 -15.099 -8.493 1.00 1.95 C ATOM 854 C GLY A 61 5.020 -14.910 -8.147 1.00 1.97 C ATOM 855 O GLY A 61 5.597 -15.713 -7.414 1.00 2.67 O ATOM 0 H GLY A 61 2.576 -13.969 -7.016 1.00 1.78 H new ATOM 0 HA2 GLY A 61 3.175 -16.022 -8.045 1.00 1.95 H new ATOM 0 HA3 GLY A 61 3.428 -15.201 -9.572 1.00 1.95 H new ATOM 859 N ASP A 62 5.591 -13.845 -8.690 1.00 1.40 N ATOM 860 CA ASP A 62 6.991 -13.541 -8.448 1.00 1.36 C ATOM 861 C ASP A 62 7.096 -12.495 -7.336 1.00 1.10 C ATOM 862 O ASP A 62 6.166 -11.720 -7.118 1.00 0.90 O ATOM 863 CB ASP A 62 7.655 -12.967 -9.701 1.00 1.37 C ATOM 864 CG ASP A 62 7.925 -13.983 -10.812 1.00 1.90 C ATOM 865 OD1 ASP A 62 8.904 -14.792 -10.586 1.00 3.03 O ATOM 866 OD2 ASP A 62 7.235 -14.002 -11.842 1.00 2.21 O ATOM 0 H ASP A 62 5.109 -13.182 -9.297 1.00 1.40 H new ATOM 0 HA ASP A 62 7.493 -14.466 -8.166 1.00 1.36 H new ATOM 0 HB2 ASP A 62 7.021 -12.175 -10.100 1.00 1.37 H new ATOM 0 HB3 ASP A 62 8.600 -12.505 -9.414 1.00 1.37 H new ATOM 871 N PRO A 63 8.266 -12.507 -6.644 1.00 1.21 N ATOM 872 CA PRO A 63 8.505 -11.568 -5.560 1.00 1.17 C ATOM 873 C PRO A 63 8.799 -10.169 -6.102 1.00 0.91 C ATOM 874 O PRO A 63 9.026 -9.236 -5.333 1.00 1.01 O ATOM 875 CB PRO A 63 9.667 -12.159 -4.777 1.00 1.49 C ATOM 876 CG PRO A 63 10.334 -13.155 -5.711 1.00 1.61 C ATOM 877 CD PRO A 63 9.390 -13.410 -6.874 1.00 1.50 C ATOM 0 HA PRO A 63 7.635 -11.437 -4.917 1.00 1.17 H new ATOM 0 HB2 PRO A 63 10.367 -11.382 -4.470 1.00 1.49 H new ATOM 0 HB3 PRO A 63 9.317 -12.649 -3.869 1.00 1.49 H new ATOM 0 HG2 PRO A 63 11.285 -12.763 -6.071 1.00 1.61 H new ATOM 0 HG3 PRO A 63 10.551 -14.085 -5.185 1.00 1.61 H new ATOM 0 HD2 PRO A 63 9.874 -13.205 -7.829 1.00 1.50 H new ATOM 0 HD3 PRO A 63 9.064 -14.450 -6.899 1.00 1.50 H new ATOM 885 N LYS A 64 8.786 -10.065 -7.423 1.00 0.74 N ATOM 886 CA LYS A 64 9.048 -8.794 -8.077 1.00 0.66 C ATOM 887 C LYS A 64 7.750 -7.988 -8.157 1.00 0.56 C ATOM 888 O LYS A 64 7.780 -6.760 -8.218 1.00 0.67 O ATOM 889 CB LYS A 64 9.717 -9.018 -9.434 1.00 0.82 C ATOM 890 CG LYS A 64 8.778 -9.750 -10.395 1.00 1.03 C ATOM 891 CD LYS A 64 8.518 -8.916 -11.650 1.00 1.48 C ATOM 892 CE LYS A 64 7.595 -9.656 -12.620 1.00 2.42 C ATOM 893 NZ LYS A 64 8.099 -9.540 -14.006 1.00 2.63 N ATOM 0 H LYS A 64 8.598 -10.841 -8.058 1.00 0.74 H new ATOM 0 HA LYS A 64 9.754 -8.204 -7.493 1.00 0.66 H new ATOM 0 HB2 LYS A 64 10.007 -8.059 -9.863 1.00 0.82 H new ATOM 0 HB3 LYS A 64 10.631 -9.597 -9.302 1.00 0.82 H new ATOM 0 HG2 LYS A 64 9.214 -10.709 -10.675 1.00 1.03 H new ATOM 0 HG3 LYS A 64 7.834 -9.964 -9.894 1.00 1.03 H new ATOM 0 HD2 LYS A 64 8.069 -7.963 -11.371 1.00 1.48 H new ATOM 0 HD3 LYS A 64 9.464 -8.690 -12.143 1.00 1.48 H new ATOM 0 HE2 LYS A 64 7.529 -10.707 -12.338 1.00 2.42 H new ATOM 0 HE3 LYS A 64 6.587 -9.245 -12.558 1.00 2.42 H new ATOM 0 HZ1 LYS A 64 7.461 -10.048 -14.651 1.00 2.63 H new ATOM 0 HZ2 LYS A 64 8.140 -8.537 -14.278 1.00 2.63 H new ATOM 0 HZ3 LYS A 64 9.051 -9.954 -14.065 1.00 2.63 H new ATOM 907 N THR A 65 6.640 -8.713 -8.153 1.00 0.53 N ATOM 908 CA THR A 65 5.334 -8.081 -8.224 1.00 0.52 C ATOM 909 C THR A 65 4.557 -8.315 -6.927 1.00 0.47 C ATOM 910 O THR A 65 4.490 -9.439 -6.435 1.00 0.54 O ATOM 911 CB THR A 65 4.618 -8.615 -9.467 1.00 0.64 C ATOM 912 OG1 THR A 65 5.113 -7.803 -10.528 1.00 0.75 O ATOM 913 CG2 THR A 65 3.116 -8.326 -9.445 1.00 0.70 C ATOM 0 H THR A 65 6.619 -9.731 -8.102 1.00 0.53 H new ATOM 0 HA THR A 65 5.422 -6.999 -8.322 1.00 0.52 H new ATOM 0 HB THR A 65 4.780 -9.690 -9.546 1.00 0.64 H new ATOM 0 HG1 THR A 65 4.803 -6.881 -10.406 1.00 0.75 H new ATOM 0 HG21 THR A 65 2.655 -8.725 -10.349 1.00 0.70 H new ATOM 0 HG22 THR A 65 2.668 -8.797 -8.570 1.00 0.70 H new ATOM 0 HG23 THR A 65 2.953 -7.249 -9.400 1.00 0.70 H new ATOM 921 N MET A 66 3.991 -7.233 -6.411 1.00 0.45 N ATOM 922 CA MET A 66 3.222 -7.306 -5.181 1.00 0.42 C ATOM 923 C MET A 66 1.751 -6.971 -5.433 1.00 0.36 C ATOM 924 O MET A 66 1.437 -6.146 -6.290 1.00 0.40 O ATOM 925 CB MET A 66 3.801 -6.327 -4.157 1.00 0.46 C ATOM 926 CG MET A 66 4.463 -7.074 -2.998 1.00 0.53 C ATOM 927 SD MET A 66 6.190 -6.638 -2.898 1.00 1.61 S ATOM 928 CE MET A 66 6.726 -7.119 -4.531 1.00 0.99 C ATOM 0 H MET A 66 4.050 -6.302 -6.823 1.00 0.45 H new ATOM 0 HA MET A 66 3.282 -8.324 -4.797 1.00 0.42 H new ATOM 0 HB2 MET A 66 4.531 -5.679 -4.641 1.00 0.46 H new ATOM 0 HB3 MET A 66 3.008 -5.684 -3.774 1.00 0.46 H new ATOM 0 HG2 MET A 66 3.962 -6.827 -2.062 1.00 0.53 H new ATOM 0 HG3 MET A 66 4.359 -8.150 -3.141 1.00 0.53 H new ATOM 0 HE1 MET A 66 7.813 -7.202 -4.548 1.00 0.99 H new ATOM 0 HE2 MET A 66 6.285 -8.081 -4.790 1.00 0.99 H new ATOM 0 HE3 MET A 66 6.408 -6.368 -5.254 1.00 0.99 H new ATOM 938 N VAL A 67 0.888 -7.628 -4.673 1.00 0.37 N ATOM 939 CA VAL A 67 -0.543 -7.411 -4.803 1.00 0.39 C ATOM 940 C VAL A 67 -1.182 -7.407 -3.413 1.00 0.41 C ATOM 941 O VAL A 67 -1.211 -8.433 -2.737 1.00 0.49 O ATOM 942 CB VAL A 67 -1.149 -8.460 -5.737 1.00 0.44 C ATOM 943 CG1 VAL A 67 -2.651 -8.231 -5.918 1.00 1.64 C ATOM 944 CG2 VAL A 67 -0.430 -8.472 -7.088 1.00 1.49 C ATOM 0 H VAL A 67 1.152 -8.312 -3.964 1.00 0.37 H new ATOM 0 HA VAL A 67 -0.742 -6.439 -5.255 1.00 0.39 H new ATOM 0 HB VAL A 67 -1.012 -9.438 -5.276 1.00 0.44 H new ATOM 0 HG11 VAL A 67 -3.057 -8.990 -6.586 1.00 1.64 H new ATOM 0 HG12 VAL A 67 -3.148 -8.296 -4.950 1.00 1.64 H new ATOM 0 HG13 VAL A 67 -2.819 -7.243 -6.347 1.00 1.64 H new ATOM 0 HG21 VAL A 67 -0.880 -9.226 -7.733 1.00 1.49 H new ATOM 0 HG22 VAL A 67 -0.521 -7.492 -7.557 1.00 1.49 H new ATOM 0 HG23 VAL A 67 0.624 -8.706 -6.937 1.00 1.49 H new ATOM 954 N ILE A 68 -1.680 -6.241 -3.029 1.00 0.37 N ATOM 955 CA ILE A 68 -2.318 -6.089 -1.732 1.00 0.39 C ATOM 956 C ILE A 68 -3.813 -6.385 -1.867 1.00 0.40 C ATOM 957 O ILE A 68 -4.510 -5.738 -2.647 1.00 0.39 O ATOM 958 CB ILE A 68 -2.014 -4.711 -1.143 1.00 0.42 C ATOM 959 CG1 ILE A 68 -0.859 -4.785 -0.142 1.00 0.48 C ATOM 960 CG2 ILE A 68 -3.269 -4.090 -0.525 1.00 0.48 C ATOM 961 CD1 ILE A 68 0.491 -4.761 -0.861 1.00 0.48 C ATOM 0 H ILE A 68 -1.655 -5.392 -3.594 1.00 0.37 H new ATOM 0 HA ILE A 68 -1.913 -6.809 -1.021 1.00 0.39 H new ATOM 0 HB ILE A 68 -1.696 -4.056 -1.954 1.00 0.42 H new ATOM 0 HG12 ILE A 68 -0.920 -3.947 0.552 1.00 0.48 H new ATOM 0 HG13 ILE A 68 -0.944 -5.696 0.450 1.00 0.48 H new ATOM 0 HG21 ILE A 68 -3.025 -3.111 -0.113 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -4.036 -3.981 -1.292 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -3.640 -4.736 0.271 1.00 0.48 H new ATOM 0 HD11 ILE A 68 1.295 -4.815 -0.127 1.00 0.48 H new ATOM 0 HD12 ILE A 68 0.559 -5.614 -1.536 1.00 0.48 H new ATOM 0 HD13 ILE A 68 0.582 -3.837 -1.433 1.00 0.48 H new ATOM 973 N THR A 69 -4.263 -7.363 -1.094 1.00 0.44 N ATOM 974 CA THR A 69 -5.663 -7.752 -1.117 1.00 0.47 C ATOM 975 C THR A 69 -6.245 -7.731 0.298 1.00 0.48 C ATOM 976 O THR A 69 -5.929 -8.594 1.115 1.00 0.54 O ATOM 977 CB THR A 69 -5.763 -9.119 -1.795 1.00 0.51 C ATOM 978 OG1 THR A 69 -6.416 -8.846 -3.031 1.00 0.56 O ATOM 979 CG2 THR A 69 -6.719 -10.066 -1.068 1.00 0.52 C ATOM 0 H THR A 69 -3.683 -7.898 -0.448 1.00 0.44 H new ATOM 0 HA THR A 69 -6.261 -7.044 -1.691 1.00 0.47 H new ATOM 0 HB THR A 69 -4.773 -9.573 -1.845 1.00 0.51 H new ATOM 0 HG1 THR A 69 -6.520 -9.679 -3.537 1.00 0.56 H new ATOM 0 HG21 THR A 69 -6.752 -11.022 -1.591 1.00 0.52 H new ATOM 0 HG22 THR A 69 -6.370 -10.223 -0.048 1.00 0.52 H new ATOM 0 HG23 THR A 69 -7.717 -9.629 -1.046 1.00 0.52 H new ATOM 987 N PRO A 70 -7.107 -6.711 0.549 1.00 0.48 N ATOM 988 CA PRO A 70 -7.736 -6.566 1.851 1.00 0.51 C ATOM 989 C PRO A 70 -8.850 -7.599 2.040 1.00 0.54 C ATOM 990 O PRO A 70 -9.646 -7.831 1.131 1.00 0.57 O ATOM 991 CB PRO A 70 -8.244 -5.133 1.886 1.00 0.55 C ATOM 992 CG PRO A 70 -8.293 -4.673 0.438 1.00 0.56 C ATOM 993 CD PRO A 70 -7.504 -5.671 -0.395 1.00 0.50 C ATOM 0 HA PRO A 70 -7.045 -6.750 2.674 1.00 0.51 H new ATOM 0 HB2 PRO A 70 -9.231 -5.079 2.346 1.00 0.55 H new ATOM 0 HB3 PRO A 70 -7.582 -4.498 2.475 1.00 0.55 H new ATOM 0 HG2 PRO A 70 -9.324 -4.616 0.090 1.00 0.56 H new ATOM 0 HG3 PRO A 70 -7.868 -3.674 0.340 1.00 0.56 H new ATOM 0 HD2 PRO A 70 -8.111 -6.080 -1.202 1.00 0.50 H new ATOM 0 HD3 PRO A 70 -6.635 -5.202 -0.856 1.00 0.50 H new ATOM 1001 N ALA A 71 -8.870 -8.191 3.224 1.00 0.59 N ATOM 1002 CA ALA A 71 -9.872 -9.193 3.543 1.00 0.65 C ATOM 1003 C ALA A 71 -11.236 -8.516 3.694 1.00 0.67 C ATOM 1004 O ALA A 71 -12.261 -9.086 3.326 1.00 0.80 O ATOM 1005 CB ALA A 71 -9.454 -9.949 4.806 1.00 0.72 C ATOM 0 H ALA A 71 -8.208 -7.996 3.975 1.00 0.59 H new ATOM 0 HA ALA A 71 -9.954 -9.923 2.737 1.00 0.65 H new ATOM 0 HB1 ALA A 71 -10.206 -10.701 5.046 1.00 0.72 H new ATOM 0 HB2 ALA A 71 -8.494 -10.437 4.637 1.00 0.72 H new ATOM 0 HB3 ALA A 71 -9.364 -9.249 5.636 1.00 0.72 H new ATOM 1011 N SER A 72 -11.203 -7.306 4.236 1.00 0.62 N ATOM 1012 CA SER A 72 -12.424 -6.545 4.440 1.00 0.65 C ATOM 1013 C SER A 72 -12.667 -5.618 3.247 1.00 0.62 C ATOM 1014 O SER A 72 -11.721 -5.159 2.610 1.00 0.59 O ATOM 1015 CB SER A 72 -12.357 -5.735 5.736 1.00 0.69 C ATOM 1016 OG SER A 72 -13.555 -5.851 6.500 1.00 0.85 O ATOM 0 H SER A 72 -10.351 -6.835 4.540 1.00 0.62 H new ATOM 0 HA SER A 72 -13.255 -7.246 4.523 1.00 0.65 H new ATOM 0 HB2 SER A 72 -11.511 -6.076 6.333 1.00 0.69 H new ATOM 0 HB3 SER A 72 -12.178 -4.686 5.499 1.00 0.69 H new ATOM 0 HG SER A 72 -13.472 -5.321 7.320 1.00 0.85 H new ATOM 1022 N PRO A 73 -13.975 -5.366 2.974 1.00 0.66 N ATOM 1023 CA PRO A 73 -14.356 -4.503 1.868 1.00 0.67 C ATOM 1024 C PRO A 73 -14.107 -3.032 2.211 1.00 0.63 C ATOM 1025 O PRO A 73 -14.507 -2.563 3.275 1.00 0.66 O ATOM 1026 CB PRO A 73 -15.822 -4.814 1.613 1.00 0.75 C ATOM 1027 CG PRO A 73 -16.330 -5.493 2.874 1.00 0.78 C ATOM 1028 CD PRO A 73 -15.123 -5.894 3.707 1.00 0.73 C ATOM 0 HA PRO A 73 -13.763 -4.682 0.971 1.00 0.67 H new ATOM 0 HB2 PRO A 73 -16.384 -3.903 1.406 1.00 0.75 H new ATOM 0 HB3 PRO A 73 -15.938 -5.464 0.746 1.00 0.75 H new ATOM 0 HG2 PRO A 73 -16.975 -4.819 3.437 1.00 0.78 H new ATOM 0 HG3 PRO A 73 -16.927 -6.369 2.621 1.00 0.78 H new ATOM 0 HD2 PRO A 73 -15.178 -5.475 4.712 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -15.059 -6.977 3.816 1.00 0.73 H new ATOM 1036 N LEU A 74 -13.449 -2.346 1.288 1.00 0.61 N ATOM 1037 CA LEU A 74 -13.143 -0.939 1.479 1.00 0.61 C ATOM 1038 C LEU A 74 -14.410 -0.111 1.255 1.00 0.62 C ATOM 1039 O LEU A 74 -14.963 -0.101 0.158 1.00 0.67 O ATOM 1040 CB LEU A 74 -11.969 -0.520 0.589 1.00 0.66 C ATOM 1041 CG LEU A 74 -10.668 -1.300 0.786 1.00 0.66 C ATOM 1042 CD1 LEU A 74 -9.748 -1.145 -0.427 1.00 0.79 C ATOM 1043 CD2 LEU A 74 -9.975 -0.890 2.086 1.00 0.64 C ATOM 0 H LEU A 74 -13.119 -2.739 0.406 1.00 0.61 H new ATOM 0 HA LEU A 74 -12.818 -0.755 2.503 1.00 0.61 H new ATOM 0 HB2 LEU A 74 -12.275 -0.619 -0.453 1.00 0.66 H new ATOM 0 HB3 LEU A 74 -11.766 0.537 0.763 1.00 0.66 H new ATOM 0 HG LEU A 74 -10.913 -2.359 0.872 1.00 0.66 H new ATOM 0 HD11 LEU A 74 -8.830 -1.709 -0.262 1.00 0.79 H new ATOM 0 HD12 LEU A 74 -10.252 -1.524 -1.316 1.00 0.79 H new ATOM 0 HD13 LEU A 74 -9.506 -0.092 -0.568 1.00 0.79 H new ATOM 0 HD21 LEU A 74 -9.053 -1.459 2.202 1.00 0.64 H new ATOM 0 HD22 LEU A 74 -9.743 0.175 2.054 1.00 0.64 H new ATOM 0 HD23 LEU A 74 -10.635 -1.093 2.930 1.00 0.64 H new ATOM 1055 N THR A 75 -14.831 0.564 2.316 1.00 0.61 N ATOM 1056 CA THR A 75 -16.023 1.393 2.249 1.00 0.64 C ATOM 1057 C THR A 75 -15.643 2.855 1.999 1.00 0.59 C ATOM 1058 O THR A 75 -14.492 3.242 2.196 1.00 0.55 O ATOM 1059 CB THR A 75 -16.817 1.184 3.540 1.00 0.75 C ATOM 1060 OG1 THR A 75 -16.129 1.976 4.503 1.00 0.88 O ATOM 1061 CG2 THR A 75 -16.696 -0.243 4.076 1.00 0.62 C ATOM 0 H THR A 75 -14.369 0.554 3.225 1.00 0.61 H new ATOM 0 HA THR A 75 -16.657 1.107 1.410 1.00 0.64 H new ATOM 0 HB THR A 75 -17.867 1.417 3.362 1.00 0.75 H new ATOM 0 HG1 THR A 75 -16.578 1.900 5.371 1.00 0.88 H new ATOM 0 HG21 THR A 75 -17.278 -0.338 4.993 1.00 0.62 H new ATOM 0 HG22 THR A 75 -17.074 -0.944 3.332 1.00 0.62 H new ATOM 0 HG23 THR A 75 -15.650 -0.465 4.286 1.00 0.62 H new ATOM 1069 N ALA A 76 -16.631 3.625 1.571 1.00 0.66 N ATOM 1070 CA ALA A 76 -16.415 5.034 1.292 1.00 0.63 C ATOM 1071 C ALA A 76 -15.520 5.633 2.380 1.00 0.62 C ATOM 1072 O ALA A 76 -15.449 5.106 3.489 1.00 0.76 O ATOM 1073 CB ALA A 76 -17.765 5.748 1.189 1.00 0.68 C ATOM 0 H ALA A 76 -17.584 3.300 1.410 1.00 0.66 H new ATOM 0 HA ALA A 76 -15.905 5.162 0.337 1.00 0.63 H new ATOM 0 HB1 ALA A 76 -17.602 6.805 0.980 1.00 0.68 H new ATOM 0 HB2 ALA A 76 -18.351 5.305 0.384 1.00 0.68 H new ATOM 0 HB3 ALA A 76 -18.305 5.643 2.130 1.00 0.68 H new ATOM 1079 N GLY A 77 -14.860 6.725 2.023 1.00 0.57 N ATOM 1080 CA GLY A 77 -13.974 7.400 2.955 1.00 0.58 C ATOM 1081 C GLY A 77 -12.642 7.754 2.287 1.00 0.52 C ATOM 1082 O GLY A 77 -12.593 7.993 1.082 1.00 0.54 O ATOM 0 H GLY A 77 -14.921 7.159 1.102 1.00 0.57 H new ATOM 0 HA2 GLY A 77 -14.452 8.307 3.325 1.00 0.58 H new ATOM 0 HA3 GLY A 77 -13.793 6.760 3.819 1.00 0.58 H new ATOM 1086 N THR A 78 -11.597 7.774 3.101 1.00 0.55 N ATOM 1087 CA THR A 78 -10.269 8.093 2.604 1.00 0.52 C ATOM 1088 C THR A 78 -9.206 7.327 3.394 1.00 0.43 C ATOM 1089 O THR A 78 -9.236 7.307 4.624 1.00 0.48 O ATOM 1090 CB THR A 78 -10.095 9.612 2.664 1.00 0.65 C ATOM 1091 OG1 THR A 78 -10.693 10.078 1.457 1.00 0.84 O ATOM 1092 CG2 THR A 78 -8.630 10.038 2.543 1.00 0.64 C ATOM 0 H THR A 78 -11.643 7.575 4.100 1.00 0.55 H new ATOM 0 HA THR A 78 -10.147 7.778 1.568 1.00 0.52 H new ATOM 0 HB THR A 78 -10.506 9.988 3.601 1.00 0.65 H new ATOM 0 HG1 THR A 78 -11.289 9.387 1.100 1.00 0.84 H new ATOM 0 HG21 THR A 78 -8.562 11.125 2.591 1.00 0.64 H new ATOM 0 HG22 THR A 78 -8.056 9.602 3.360 1.00 0.64 H new ATOM 0 HG23 THR A 78 -8.228 9.691 1.591 1.00 0.64 H new ATOM 1100 N TYR A 79 -8.291 6.717 2.656 1.00 0.39 N ATOM 1101 CA TYR A 79 -7.221 5.952 3.272 1.00 0.36 C ATOM 1102 C TYR A 79 -5.884 6.221 2.577 1.00 0.39 C ATOM 1103 O TYR A 79 -5.834 6.932 1.575 1.00 0.42 O ATOM 1104 CB TYR A 79 -7.592 4.480 3.084 1.00 0.36 C ATOM 1105 CG TYR A 79 -9.064 4.169 3.363 1.00 0.36 C ATOM 1106 CD1 TYR A 79 -10.044 4.667 2.529 1.00 1.91 C ATOM 1107 CD2 TYR A 79 -9.411 3.390 4.448 1.00 1.74 C ATOM 1108 CE1 TYR A 79 -11.429 4.374 2.791 1.00 2.02 C ATOM 1109 CE2 TYR A 79 -10.797 3.097 4.710 1.00 1.68 C ATOM 1110 CZ TYR A 79 -11.737 3.604 3.869 1.00 0.56 C ATOM 1111 OH TYR A 79 -13.046 3.327 4.117 1.00 0.70 O ATOM 0 H TYR A 79 -8.269 6.737 1.636 1.00 0.39 H new ATOM 0 HA TYR A 79 -7.110 6.224 4.322 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -7.356 4.184 2.062 1.00 0.36 H new ATOM 0 HB3 TYR A 79 -6.972 3.872 3.743 1.00 0.36 H new ATOM 0 HD1 TYR A 79 -9.772 5.276 1.680 1.00 1.91 H new ATOM 0 HD2 TYR A 79 -8.644 3.000 5.101 1.00 1.74 H new ATOM 0 HE1 TYR A 79 -12.206 4.757 2.146 1.00 2.02 H new ATOM 0 HE2 TYR A 79 -11.083 2.488 5.555 1.00 1.68 H new ATOM 0 HH TYR A 79 -13.466 2.975 3.304 1.00 0.70 H new ATOM 1121 N LYS A 80 -4.835 5.638 3.137 1.00 0.43 N ATOM 1122 CA LYS A 80 -3.501 5.806 2.584 1.00 0.49 C ATOM 1123 C LYS A 80 -2.716 4.505 2.754 1.00 0.45 C ATOM 1124 O LYS A 80 -2.443 4.083 3.878 1.00 0.49 O ATOM 1125 CB LYS A 80 -2.815 7.025 3.203 1.00 0.60 C ATOM 1126 CG LYS A 80 -1.337 7.080 2.810 1.00 1.14 C ATOM 1127 CD LYS A 80 -0.445 7.222 4.045 1.00 1.84 C ATOM 1128 CE LYS A 80 0.532 8.388 3.886 1.00 2.06 C ATOM 1129 NZ LYS A 80 0.182 9.486 4.815 1.00 2.16 N ATOM 0 H LYS A 80 -4.881 5.048 3.968 1.00 0.43 H new ATOM 0 HA LYS A 80 -3.554 6.008 1.514 1.00 0.49 H new ATOM 0 HB2 LYS A 80 -3.317 7.935 2.874 1.00 0.60 H new ATOM 0 HB3 LYS A 80 -2.905 6.986 4.289 1.00 0.60 H new ATOM 0 HG2 LYS A 80 -1.068 6.175 2.265 1.00 1.14 H new ATOM 0 HG3 LYS A 80 -1.167 7.920 2.136 1.00 1.14 H new ATOM 0 HD2 LYS A 80 -1.064 7.380 4.928 1.00 1.84 H new ATOM 0 HD3 LYS A 80 0.110 6.298 4.205 1.00 1.84 H new ATOM 0 HE2 LYS A 80 1.549 8.048 4.082 1.00 2.06 H new ATOM 0 HE3 LYS A 80 0.510 8.752 2.859 1.00 2.06 H new ATOM 0 HZ1 LYS A 80 0.855 10.270 4.695 1.00 2.16 H new ATOM 0 HZ2 LYS A 80 -0.781 9.821 4.609 1.00 2.16 H new ATOM 0 HZ3 LYS A 80 0.226 9.139 5.795 1.00 2.16 H new ATOM 1143 N VAL A 81 -2.374 3.905 1.624 1.00 0.44 N ATOM 1144 CA VAL A 81 -1.624 2.660 1.634 1.00 0.41 C ATOM 1145 C VAL A 81 -0.130 2.970 1.746 1.00 0.41 C ATOM 1146 O VAL A 81 0.467 3.509 0.815 1.00 0.52 O ATOM 1147 CB VAL A 81 -1.972 1.830 0.396 1.00 0.41 C ATOM 1148 CG1 VAL A 81 -0.997 0.662 0.228 1.00 0.64 C ATOM 1149 CG2 VAL A 81 -3.418 1.333 0.458 1.00 0.49 C ATOM 0 H VAL A 81 -2.602 4.258 0.695 1.00 0.44 H new ATOM 0 HA VAL A 81 -1.896 2.057 2.500 1.00 0.41 H new ATOM 0 HB VAL A 81 -1.877 2.475 -0.478 1.00 0.41 H new ATOM 0 HG11 VAL A 81 -1.266 0.088 -0.659 1.00 0.64 H new ATOM 0 HG12 VAL A 81 0.017 1.047 0.117 1.00 0.64 H new ATOM 0 HG13 VAL A 81 -1.046 0.018 1.106 1.00 0.64 H new ATOM 0 HG21 VAL A 81 -3.640 0.746 -0.433 1.00 0.49 H new ATOM 0 HG22 VAL A 81 -3.552 0.712 1.344 1.00 0.49 H new ATOM 0 HG23 VAL A 81 -4.094 2.186 0.508 1.00 0.49 H new ATOM 1159 N ASP A 82 0.431 2.616 2.892 1.00 0.40 N ATOM 1160 CA ASP A 82 1.844 2.849 3.138 1.00 0.42 C ATOM 1161 C ASP A 82 2.629 1.574 2.825 1.00 0.41 C ATOM 1162 O ASP A 82 2.477 0.564 3.510 1.00 0.46 O ATOM 1163 CB ASP A 82 2.096 3.213 4.604 1.00 0.50 C ATOM 1164 CG ASP A 82 1.303 4.416 5.116 1.00 0.64 C ATOM 1165 OD1 ASP A 82 0.046 4.202 5.302 1.00 1.74 O ATOM 1166 OD2 ASP A 82 1.860 5.504 5.328 1.00 1.84 O ATOM 0 H ASP A 82 -0.068 2.169 3.661 1.00 0.40 H new ATOM 0 HA ASP A 82 2.165 3.674 2.502 1.00 0.42 H new ATOM 0 HB2 ASP A 82 1.857 2.349 5.224 1.00 0.50 H new ATOM 0 HB3 ASP A 82 3.159 3.415 4.735 1.00 0.50 H new ATOM 1171 N TRP A 83 3.451 1.663 1.790 1.00 0.41 N ATOM 1172 CA TRP A 83 4.260 0.529 1.378 1.00 0.42 C ATOM 1173 C TRP A 83 5.721 0.848 1.702 1.00 0.46 C ATOM 1174 O TRP A 83 6.094 2.014 1.826 1.00 0.45 O ATOM 1175 CB TRP A 83 4.034 0.201 -0.099 1.00 0.41 C ATOM 1176 CG TRP A 83 4.333 1.364 -1.048 1.00 0.38 C ATOM 1177 CD1 TRP A 83 3.458 2.144 -1.698 1.00 0.45 C ATOM 1178 CD2 TRP A 83 5.638 1.849 -1.428 1.00 0.38 C ATOM 1179 NE1 TRP A 83 4.102 3.093 -2.466 1.00 0.49 N ATOM 1180 CE2 TRP A 83 5.469 2.908 -2.297 1.00 0.45 C ATOM 1181 CE3 TRP A 83 6.918 1.408 -1.051 1.00 0.40 C ATOM 1182 CZ2 TRP A 83 6.538 3.613 -2.862 1.00 0.52 C ATOM 1183 CZ3 TRP A 83 7.976 2.123 -1.624 1.00 0.48 C ATOM 1184 CH2 TRP A 83 7.823 3.191 -2.500 1.00 0.54 C ATOM 0 H TRP A 83 3.574 2.503 1.224 1.00 0.41 H new ATOM 0 HA TRP A 83 3.970 -0.369 1.923 1.00 0.42 H new ATOM 0 HB2 TRP A 83 4.661 -0.648 -0.372 1.00 0.41 H new ATOM 0 HB3 TRP A 83 2.999 -0.110 -0.237 1.00 0.41 H new ATOM 0 HD1 TRP A 83 2.385 2.043 -1.629 1.00 0.45 H new ATOM 0 HE1 TRP A 83 3.656 3.800 -3.050 1.00 0.49 H new ATOM 0 HE3 TRP A 83 7.073 0.582 -0.372 1.00 0.40 H new ATOM 0 HZ2 TRP A 83 6.380 4.438 -3.541 1.00 0.52 H new ATOM 0 HZ3 TRP A 83 8.982 1.824 -1.367 1.00 0.48 H new ATOM 0 HH2 TRP A 83 8.692 3.693 -2.900 1.00 0.54 H new ATOM 1195 N ARG A 84 6.510 -0.210 1.830 1.00 0.54 N ATOM 1196 CA ARG A 84 7.922 -0.057 2.138 1.00 0.60 C ATOM 1197 C ARG A 84 8.726 -1.202 1.520 1.00 0.61 C ATOM 1198 O ARG A 84 8.557 -2.360 1.899 1.00 0.72 O ATOM 1199 CB ARG A 84 8.158 -0.035 3.650 1.00 0.71 C ATOM 1200 CG ARG A 84 7.493 1.186 4.290 1.00 0.94 C ATOM 1201 CD ARG A 84 6.083 0.851 4.777 1.00 2.00 C ATOM 1202 NE ARG A 84 5.849 1.455 6.108 1.00 2.04 N ATOM 1203 CZ ARG A 84 4.650 1.479 6.728 1.00 3.13 C ATOM 1204 NH1 ARG A 84 3.564 0.932 6.142 1.00 4.37 N ATOM 1205 NH2 ARG A 84 4.556 2.046 7.916 1.00 3.51 N ATOM 0 H ARG A 84 6.198 -1.176 1.726 1.00 0.54 H new ATOM 0 HA ARG A 84 8.252 0.893 1.717 1.00 0.60 H new ATOM 0 HB2 ARG A 84 7.761 -0.946 4.097 1.00 0.71 H new ATOM 0 HB3 ARG A 84 9.229 -0.020 3.855 1.00 0.71 H new ATOM 0 HG2 ARG A 84 8.097 1.536 5.127 1.00 0.94 H new ATOM 0 HG3 ARG A 84 7.448 2.000 3.567 1.00 0.94 H new ATOM 0 HD2 ARG A 84 5.346 1.223 4.065 1.00 2.00 H new ATOM 0 HD3 ARG A 84 5.956 -0.230 4.832 1.00 2.00 H new ATOM 0 HE ARG A 84 6.643 1.880 6.587 1.00 2.04 H new ATOM 0 HH11 ARG A 84 3.645 0.496 5.223 1.00 4.37 H new ATOM 0 HH12 ARG A 84 2.662 0.955 6.618 1.00 4.37 H new ATOM 0 HH21 ARG A 84 5.382 2.457 8.352 1.00 3.51 H new ATOM 0 HH22 ARG A 84 3.658 2.073 8.399 1.00 3.51 H new ATOM 1219 N ALA A 85 9.585 -0.838 0.578 1.00 0.68 N ATOM 1220 CA ALA A 85 10.417 -1.821 -0.096 1.00 0.72 C ATOM 1221 C ALA A 85 11.843 -1.736 0.450 1.00 0.79 C ATOM 1222 O ALA A 85 12.246 -0.705 0.987 1.00 0.79 O ATOM 1223 CB ALA A 85 10.355 -1.591 -1.607 1.00 0.79 C ATOM 0 H ALA A 85 9.723 0.123 0.266 1.00 0.68 H new ATOM 0 HA ALA A 85 10.052 -2.830 0.095 1.00 0.72 H new ATOM 0 HB1 ALA A 85 10.979 -2.328 -2.113 1.00 0.79 H new ATOM 0 HB2 ALA A 85 9.325 -1.692 -1.948 1.00 0.79 H new ATOM 0 HB3 ALA A 85 10.717 -0.589 -1.838 1.00 0.79 H new ATOM 1229 N VAL A 86 12.570 -2.832 0.293 1.00 1.18 N ATOM 1230 CA VAL A 86 13.943 -2.895 0.762 1.00 1.32 C ATOM 1231 C VAL A 86 14.820 -3.530 -0.318 1.00 1.53 C ATOM 1232 O VAL A 86 14.730 -4.731 -0.569 1.00 1.92 O ATOM 1233 CB VAL A 86 14.007 -3.640 2.098 1.00 1.55 C ATOM 1234 CG1 VAL A 86 13.442 -5.056 1.963 1.00 2.65 C ATOM 1235 CG2 VAL A 86 15.435 -3.669 2.642 1.00 2.70 C ATOM 0 H VAL A 86 12.233 -3.685 -0.153 1.00 1.18 H new ATOM 0 HA VAL A 86 14.329 -1.892 0.945 1.00 1.32 H new ATOM 0 HB VAL A 86 13.388 -3.099 2.814 1.00 1.55 H new ATOM 0 HG11 VAL A 86 13.499 -5.564 2.926 1.00 2.65 H new ATOM 0 HG12 VAL A 86 12.402 -5.004 1.641 1.00 2.65 H new ATOM 0 HG13 VAL A 86 14.022 -5.610 1.225 1.00 2.65 H new ATOM 0 HG21 VAL A 86 15.452 -4.204 3.591 1.00 2.70 H new ATOM 0 HG22 VAL A 86 16.086 -4.175 1.929 1.00 2.70 H new ATOM 0 HG23 VAL A 86 15.787 -2.649 2.794 1.00 2.70 H new ATOM 1245 N SER A 87 15.647 -2.696 -0.931 1.00 1.78 N ATOM 1246 CA SER A 87 16.538 -3.161 -1.979 1.00 2.10 C ATOM 1247 C SER A 87 17.932 -3.423 -1.404 1.00 2.09 C ATOM 1248 O SER A 87 18.775 -2.528 -1.379 1.00 3.34 O ATOM 1249 CB SER A 87 16.619 -2.148 -3.124 1.00 2.75 C ATOM 1250 OG SER A 87 17.374 -2.646 -4.225 1.00 3.44 O ATOM 0 H SER A 87 15.718 -1.700 -0.721 1.00 1.78 H new ATOM 0 HA SER A 87 16.136 -4.091 -2.380 1.00 2.10 H new ATOM 0 HB2 SER A 87 15.612 -1.898 -3.458 1.00 2.75 H new ATOM 0 HB3 SER A 87 17.073 -1.226 -2.761 1.00 2.75 H new ATOM 0 HG SER A 87 17.401 -1.971 -4.935 1.00 3.44 H new ATOM 1256 N SER A 88 18.130 -4.654 -0.955 1.00 1.87 N ATOM 1257 CA SER A 88 19.406 -5.044 -0.381 1.00 1.99 C ATOM 1258 C SER A 88 19.747 -4.138 0.803 1.00 2.05 C ATOM 1259 O SER A 88 19.183 -3.053 0.941 1.00 3.17 O ATOM 1260 CB SER A 88 20.520 -4.992 -1.428 1.00 2.57 C ATOM 1261 OG SER A 88 20.370 -6.004 -2.420 1.00 3.51 O ATOM 0 H SER A 88 17.428 -5.394 -0.977 1.00 1.87 H new ATOM 0 HA SER A 88 19.322 -6.073 -0.030 1.00 1.99 H new ATOM 0 HB2 SER A 88 20.522 -4.013 -1.907 1.00 2.57 H new ATOM 0 HB3 SER A 88 21.486 -5.108 -0.936 1.00 2.57 H new ATOM 0 HG SER A 88 21.100 -5.935 -3.070 1.00 3.51 H new ATOM 1267 N ASP A 89 20.668 -4.616 1.627 1.00 2.30 N ATOM 1268 CA ASP A 89 21.091 -3.861 2.795 1.00 2.77 C ATOM 1269 C ASP A 89 21.881 -2.632 2.344 1.00 2.66 C ATOM 1270 O ASP A 89 23.051 -2.740 1.979 1.00 4.00 O ATOM 1271 CB ASP A 89 21.999 -4.702 3.695 1.00 4.38 C ATOM 1272 CG ASP A 89 21.268 -5.689 4.608 1.00 5.98 C ATOM 1273 OD1 ASP A 89 20.671 -5.213 5.597 1.00 6.91 O ATOM 1274 OD2 ASP A 89 21.323 -6.899 4.296 1.00 6.76 O ATOM 0 H ASP A 89 21.133 -5.516 1.509 1.00 2.30 H new ATOM 0 HA ASP A 89 20.199 -3.572 3.351 1.00 2.77 H new ATOM 0 HB2 ASP A 89 22.694 -5.258 3.066 1.00 4.38 H new ATOM 0 HB3 ASP A 89 22.595 -4.031 4.313 1.00 4.38 H new ATOM 1279 N THR A 90 21.211 -1.489 2.384 1.00 2.33 N ATOM 1280 CA THR A 90 21.836 -0.240 1.983 1.00 3.11 C ATOM 1281 C THR A 90 21.006 0.950 2.467 1.00 2.58 C ATOM 1282 O THR A 90 21.548 1.902 3.029 1.00 3.36 O ATOM 1283 CB THR A 90 22.026 -0.272 0.466 1.00 4.53 C ATOM 1284 OG1 THR A 90 23.053 0.687 0.225 1.00 5.24 O ATOM 1285 CG2 THR A 90 20.815 0.281 -0.288 1.00 5.44 C ATOM 0 H THR A 90 20.241 -1.402 2.688 1.00 2.33 H new ATOM 0 HA THR A 90 22.816 -0.122 2.445 1.00 3.11 H new ATOM 0 HB THR A 90 22.216 -1.296 0.145 1.00 4.53 H new ATOM 0 HG1 THR A 90 23.241 0.730 -0.736 1.00 5.24 H new ATOM 0 HG21 THR A 90 21.002 0.235 -1.361 1.00 5.44 H new ATOM 0 HG22 THR A 90 19.934 -0.314 -0.048 1.00 5.44 H new ATOM 0 HG23 THR A 90 20.645 1.316 0.007 1.00 5.44 H new ATOM 1293 N HIS A 91 19.705 0.859 2.232 1.00 2.40 N ATOM 1294 CA HIS A 91 18.796 1.916 2.637 1.00 2.04 C ATOM 1295 C HIS A 91 17.356 1.506 2.319 1.00 1.43 C ATOM 1296 O HIS A 91 17.061 1.079 1.204 1.00 1.52 O ATOM 1297 CB HIS A 91 19.188 3.247 1.992 1.00 2.66 C ATOM 1298 CG HIS A 91 18.396 3.586 0.751 1.00 3.85 C ATOM 1299 ND1 HIS A 91 18.812 3.238 -0.522 1.00 5.35 N ATOM 1300 CD2 HIS A 91 17.211 4.244 0.603 1.00 4.80 C ATOM 1301 CE1 HIS A 91 17.910 3.673 -1.389 1.00 6.75 C ATOM 1302 NE2 HIS A 91 16.919 4.295 -0.691 1.00 6.40 N ATOM 0 H HIS A 91 19.259 0.069 1.766 1.00 2.40 H new ATOM 0 HA HIS A 91 18.865 2.066 3.714 1.00 2.04 H new ATOM 0 HB2 HIS A 91 19.058 4.045 2.723 1.00 2.66 H new ATOM 0 HB3 HIS A 91 20.247 3.217 1.737 1.00 2.66 H new ATOM 0 HD2 HIS A 91 16.612 4.654 1.403 1.00 4.80 H new ATOM 0 HE1 HIS A 91 17.953 3.555 -2.462 1.00 6.75 H new ATOM 0 HE2 HIS A 91 16.089 4.729 -1.096 1.00 6.40 H new ATOM 1310 N PRO A 92 16.477 1.652 3.345 1.00 1.17 N ATOM 1311 CA PRO A 92 15.075 1.301 3.185 1.00 0.89 C ATOM 1312 C PRO A 92 14.337 2.354 2.356 1.00 0.80 C ATOM 1313 O PRO A 92 14.775 3.501 2.270 1.00 1.07 O ATOM 1314 CB PRO A 92 14.538 1.177 4.601 1.00 1.38 C ATOM 1315 CG PRO A 92 15.528 1.912 5.489 1.00 1.79 C ATOM 1316 CD PRO A 92 16.790 2.156 4.679 1.00 1.68 C ATOM 0 HA PRO A 92 14.934 0.370 2.636 1.00 0.89 H new ATOM 0 HB2 PRO A 92 13.543 1.614 4.681 1.00 1.38 H new ATOM 0 HB3 PRO A 92 14.451 0.131 4.895 1.00 1.38 H new ATOM 0 HG2 PRO A 92 15.105 2.857 5.831 1.00 1.79 H new ATOM 0 HG3 PRO A 92 15.753 1.323 6.378 1.00 1.79 H new ATOM 0 HD2 PRO A 92 17.045 3.215 4.652 1.00 1.68 H new ATOM 0 HD3 PRO A 92 17.644 1.633 5.110 1.00 1.68 H new ATOM 1324 N ILE A 93 13.230 1.927 1.766 1.00 0.68 N ATOM 1325 CA ILE A 93 12.427 2.819 0.946 1.00 0.66 C ATOM 1326 C ILE A 93 10.962 2.713 1.372 1.00 0.58 C ATOM 1327 O ILE A 93 10.352 1.651 1.252 1.00 0.75 O ATOM 1328 CB ILE A 93 12.659 2.535 -0.539 1.00 0.78 C ATOM 1329 CG1 ILE A 93 14.117 2.158 -0.805 1.00 1.43 C ATOM 1330 CG2 ILE A 93 12.205 3.715 -1.400 1.00 1.56 C ATOM 1331 CD1 ILE A 93 14.327 0.648 -0.676 1.00 2.81 C ATOM 0 H ILE A 93 12.870 0.975 1.839 1.00 0.68 H new ATOM 0 HA ILE A 93 12.730 3.855 1.099 1.00 0.66 H new ATOM 0 HB ILE A 93 12.049 1.677 -0.822 1.00 0.78 H new ATOM 0 HG12 ILE A 93 14.404 2.484 -1.805 1.00 1.43 H new ATOM 0 HG13 ILE A 93 14.765 2.680 -0.101 1.00 1.43 H new ATOM 0 HG21 ILE A 93 12.381 3.487 -2.451 1.00 1.56 H new ATOM 0 HG22 ILE A 93 11.142 3.894 -1.240 1.00 1.56 H new ATOM 0 HG23 ILE A 93 12.768 4.606 -1.123 1.00 1.56 H new ATOM 0 HD11 ILE A 93 15.372 0.408 -0.870 1.00 2.81 H new ATOM 0 HD12 ILE A 93 14.063 0.329 0.332 1.00 2.81 H new ATOM 0 HD13 ILE A 93 13.696 0.130 -1.398 1.00 2.81 H new ATOM 1343 N THR A 94 10.438 3.829 1.859 1.00 0.55 N ATOM 1344 CA THR A 94 9.055 3.875 2.303 1.00 0.53 C ATOM 1345 C THR A 94 8.232 4.782 1.387 1.00 0.53 C ATOM 1346 O THR A 94 8.689 5.856 0.996 1.00 0.88 O ATOM 1347 CB THR A 94 9.043 4.318 3.767 1.00 0.70 C ATOM 1348 OG1 THR A 94 9.896 5.460 3.791 1.00 0.84 O ATOM 1349 CG2 THR A 94 9.739 3.314 4.689 1.00 1.01 C ATOM 0 H THR A 94 10.946 4.708 1.956 1.00 0.55 H new ATOM 0 HA THR A 94 8.587 2.893 2.242 1.00 0.53 H new ATOM 0 HB THR A 94 8.013 4.458 4.095 1.00 0.70 H new ATOM 0 HG1 THR A 94 9.944 5.813 4.704 1.00 0.84 H new ATOM 0 HG21 THR A 94 9.702 3.677 5.716 1.00 1.01 H new ATOM 0 HG22 THR A 94 9.233 2.351 4.626 1.00 1.01 H new ATOM 0 HG23 THR A 94 10.779 3.198 4.382 1.00 1.01 H new ATOM 1357 N GLY A 95 7.032 4.318 1.070 1.00 0.45 N ATOM 1358 CA GLY A 95 6.140 5.074 0.208 1.00 0.42 C ATOM 1359 C GLY A 95 4.688 4.947 0.673 1.00 0.40 C ATOM 1360 O GLY A 95 4.348 4.024 1.412 1.00 0.47 O ATOM 0 H GLY A 95 6.657 3.427 1.395 1.00 0.45 H new ATOM 0 HA2 GLY A 95 6.434 6.124 0.206 1.00 0.42 H new ATOM 0 HA3 GLY A 95 6.230 4.716 -0.817 1.00 0.42 H new ATOM 1364 N SER A 96 3.871 5.887 0.222 1.00 0.42 N ATOM 1365 CA SER A 96 2.464 5.892 0.583 1.00 0.46 C ATOM 1366 C SER A 96 1.611 6.231 -0.640 1.00 0.41 C ATOM 1367 O SER A 96 2.086 6.877 -1.573 1.00 0.47 O ATOM 1368 CB SER A 96 2.188 6.885 1.714 1.00 0.62 C ATOM 1369 OG SER A 96 3.326 7.067 2.554 1.00 0.71 O ATOM 0 H SER A 96 4.157 6.651 -0.391 1.00 0.42 H new ATOM 0 HA SER A 96 2.199 4.896 0.938 1.00 0.46 H new ATOM 0 HB2 SER A 96 1.893 7.845 1.290 1.00 0.62 H new ATOM 0 HB3 SER A 96 1.349 6.529 2.312 1.00 0.62 H new ATOM 0 HG SER A 96 3.407 8.014 2.795 1.00 0.71 H new ATOM 1375 N VAL A 97 0.365 5.781 -0.597 1.00 0.41 N ATOM 1376 CA VAL A 97 -0.558 6.029 -1.691 1.00 0.36 C ATOM 1377 C VAL A 97 -1.940 6.360 -1.121 1.00 0.37 C ATOM 1378 O VAL A 97 -2.653 5.471 -0.660 1.00 0.38 O ATOM 1379 CB VAL A 97 -0.575 4.832 -2.643 1.00 0.33 C ATOM 1380 CG1 VAL A 97 -1.124 5.230 -4.015 1.00 0.51 C ATOM 1381 CG2 VAL A 97 0.817 4.211 -2.769 1.00 0.43 C ATOM 0 H VAL A 97 -0.026 5.246 0.178 1.00 0.41 H new ATOM 0 HA VAL A 97 -0.233 6.889 -2.277 1.00 0.36 H new ATOM 0 HB VAL A 97 -1.241 4.079 -2.221 1.00 0.33 H new ATOM 0 HG11 VAL A 97 -1.125 4.361 -4.673 1.00 0.51 H new ATOM 0 HG12 VAL A 97 -2.142 5.603 -3.905 1.00 0.51 H new ATOM 0 HG13 VAL A 97 -0.496 6.010 -4.446 1.00 0.51 H new ATOM 0 HG21 VAL A 97 0.776 3.362 -3.452 1.00 0.43 H new ATOM 0 HG22 VAL A 97 1.514 4.955 -3.156 1.00 0.43 H new ATOM 0 HG23 VAL A 97 1.155 3.873 -1.789 1.00 0.43 H new ATOM 1391 N THR A 98 -2.274 7.641 -1.173 1.00 0.40 N ATOM 1392 CA THR A 98 -3.557 8.100 -0.668 1.00 0.42 C ATOM 1393 C THR A 98 -4.638 7.948 -1.740 1.00 0.37 C ATOM 1394 O THR A 98 -4.388 8.197 -2.919 1.00 0.38 O ATOM 1395 CB THR A 98 -3.385 9.539 -0.178 1.00 0.51 C ATOM 1396 OG1 THR A 98 -4.537 9.772 0.627 1.00 0.54 O ATOM 1397 CG2 THR A 98 -3.509 10.561 -1.311 1.00 0.54 C ATOM 0 H THR A 98 -1.679 8.375 -1.557 1.00 0.40 H new ATOM 0 HA THR A 98 -3.891 7.493 0.173 1.00 0.42 H new ATOM 0 HB THR A 98 -2.413 9.645 0.303 1.00 0.51 H new ATOM 0 HG1 THR A 98 -4.506 10.683 0.987 1.00 0.54 H new ATOM 0 HG21 THR A 98 -3.379 11.566 -0.910 1.00 0.54 H new ATOM 0 HG22 THR A 98 -2.742 10.368 -2.061 1.00 0.54 H new ATOM 0 HG23 THR A 98 -4.494 10.478 -1.770 1.00 0.54 H new ATOM 1405 N PHE A 99 -5.816 7.539 -1.293 1.00 0.36 N ATOM 1406 CA PHE A 99 -6.936 7.351 -2.199 1.00 0.34 C ATOM 1407 C PHE A 99 -8.267 7.599 -1.486 1.00 0.36 C ATOM 1408 O PHE A 99 -8.383 7.365 -0.284 1.00 0.37 O ATOM 1409 CB PHE A 99 -6.888 5.897 -2.674 1.00 0.30 C ATOM 1410 CG PHE A 99 -7.381 4.887 -1.635 1.00 0.32 C ATOM 1411 CD1 PHE A 99 -8.700 4.835 -1.310 1.00 1.82 C ATOM 1412 CD2 PHE A 99 -6.499 4.041 -1.038 1.00 1.58 C ATOM 1413 CE1 PHE A 99 -9.158 3.899 -0.347 1.00 1.89 C ATOM 1414 CE2 PHE A 99 -6.956 3.103 -0.074 1.00 1.53 C ATOM 1415 CZ PHE A 99 -8.276 3.052 0.251 1.00 0.46 C ATOM 0 H PHE A 99 -6.019 7.332 -0.315 1.00 0.36 H new ATOM 0 HA PHE A 99 -6.864 8.053 -3.030 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -7.493 5.800 -3.576 1.00 0.30 H new ATOM 0 HB3 PHE A 99 -5.863 5.649 -2.949 1.00 0.30 H new ATOM 0 HD1 PHE A 99 -9.400 5.507 -1.785 1.00 1.82 H new ATOM 0 HD2 PHE A 99 -5.451 4.082 -1.297 1.00 1.58 H new ATOM 0 HE1 PHE A 99 -10.206 3.859 -0.089 1.00 1.89 H new ATOM 0 HE2 PHE A 99 -6.256 2.431 0.400 1.00 1.53 H new ATOM 0 HZ PHE A 99 -8.624 2.339 0.984 1.00 0.46 H new ATOM 1425 N LYS A 100 -9.237 8.067 -2.257 1.00 0.39 N ATOM 1426 CA LYS A 100 -10.555 8.349 -1.714 1.00 0.42 C ATOM 1427 C LYS A 100 -11.546 7.302 -2.225 1.00 0.45 C ATOM 1428 O LYS A 100 -11.287 6.630 -3.221 1.00 0.51 O ATOM 1429 CB LYS A 100 -10.966 9.789 -2.025 1.00 0.47 C ATOM 1430 CG LYS A 100 -10.077 10.787 -1.280 1.00 0.48 C ATOM 1431 CD LYS A 100 -10.885 12.000 -0.814 1.00 1.20 C ATOM 1432 CE LYS A 100 -10.816 13.132 -1.841 1.00 2.04 C ATOM 1433 NZ LYS A 100 -10.580 14.429 -1.168 1.00 2.43 N ATOM 0 H LYS A 100 -9.137 8.258 -3.254 1.00 0.39 H new ATOM 0 HA LYS A 100 -10.544 8.274 -0.627 1.00 0.42 H new ATOM 0 HB2 LYS A 100 -10.898 9.967 -3.098 1.00 0.47 H new ATOM 0 HB3 LYS A 100 -12.007 9.943 -1.742 1.00 0.47 H new ATOM 0 HG2 LYS A 100 -9.618 10.299 -0.420 1.00 0.48 H new ATOM 0 HG3 LYS A 100 -9.266 11.114 -1.931 1.00 0.48 H new ATOM 0 HD2 LYS A 100 -11.924 11.710 -0.656 1.00 1.20 H new ATOM 0 HD3 LYS A 100 -10.502 12.350 0.145 1.00 1.20 H new ATOM 0 HE2 LYS A 100 -10.016 12.935 -2.555 1.00 2.04 H new ATOM 0 HE3 LYS A 100 -11.746 13.174 -2.408 1.00 2.04 H new ATOM 0 HZ1 LYS A 100 -10.536 15.186 -1.879 1.00 2.43 H new ATOM 0 HZ2 LYS A 100 -11.357 14.622 -0.504 1.00 2.43 H new ATOM 0 HZ3 LYS A 100 -9.681 14.391 -0.647 1.00 2.43 H new ATOM 1447 N VAL A 101 -12.663 7.197 -1.518 1.00 0.45 N ATOM 1448 CA VAL A 101 -13.695 6.243 -1.888 1.00 0.50 C ATOM 1449 C VAL A 101 -15.070 6.885 -1.693 1.00 0.53 C ATOM 1450 O VAL A 101 -15.420 7.288 -0.585 1.00 0.53 O ATOM 1451 CB VAL A 101 -13.521 4.949 -1.090 1.00 0.51 C ATOM 1452 CG1 VAL A 101 -14.679 3.983 -1.352 1.00 0.61 C ATOM 1453 CG2 VAL A 101 -12.176 4.289 -1.401 1.00 0.56 C ATOM 0 H VAL A 101 -12.875 7.756 -0.692 1.00 0.45 H new ATOM 0 HA VAL A 101 -13.608 5.975 -2.941 1.00 0.50 H new ATOM 0 HB VAL A 101 -13.531 5.205 -0.031 1.00 0.51 H new ATOM 0 HG11 VAL A 101 -14.531 3.072 -0.773 1.00 0.61 H new ATOM 0 HG12 VAL A 101 -15.618 4.452 -1.057 1.00 0.61 H new ATOM 0 HG13 VAL A 101 -14.714 3.737 -2.413 1.00 0.61 H new ATOM 0 HG21 VAL A 101 -12.078 3.372 -0.821 1.00 0.56 H new ATOM 0 HG22 VAL A 101 -12.123 4.053 -2.464 1.00 0.56 H new ATOM 0 HG23 VAL A 101 -11.367 4.971 -1.140 1.00 0.56 H new ATOM 1463 N LYS A 102 -15.812 6.961 -2.788 1.00 0.59 N ATOM 1464 CA LYS A 102 -17.141 7.547 -2.752 1.00 0.64 C ATOM 1465 C LYS A 102 -18.180 6.466 -3.057 1.00 0.79 C ATOM 1466 O LYS A 102 -19.221 6.749 -3.649 1.00 1.76 O ATOM 1467 CB LYS A 102 -17.219 8.756 -3.687 1.00 0.70 C ATOM 1468 CG LYS A 102 -16.077 9.737 -3.412 1.00 0.66 C ATOM 1469 CD LYS A 102 -16.558 10.912 -2.560 1.00 0.97 C ATOM 1470 CE LYS A 102 -15.456 11.390 -1.612 1.00 1.98 C ATOM 1471 NZ LYS A 102 -14.556 12.341 -2.300 1.00 3.03 N ATOM 1472 OXT LYS A 102 -17.912 5.541 -3.820 1.00 1.70 O ATOM 0 H LYS A 102 -15.518 6.626 -3.706 1.00 0.59 H new ATOM 0 HA LYS A 102 -17.361 7.929 -1.755 1.00 0.64 H new ATOM 0 HB2 LYS A 102 -17.174 8.422 -4.724 1.00 0.70 H new ATOM 0 HB3 LYS A 102 -18.176 9.261 -3.556 1.00 0.70 H new ATOM 0 HG2 LYS A 102 -15.264 9.221 -2.901 1.00 0.66 H new ATOM 0 HG3 LYS A 102 -15.676 10.107 -4.355 1.00 0.66 H new ATOM 0 HD2 LYS A 102 -16.867 11.733 -3.207 1.00 0.97 H new ATOM 0 HD3 LYS A 102 -17.434 10.613 -1.984 1.00 0.97 H new ATOM 0 HE2 LYS A 102 -15.901 11.868 -0.739 1.00 1.98 H new ATOM 0 HE3 LYS A 102 -14.884 10.536 -1.250 1.00 1.98 H new ATOM 0 HZ1 LYS A 102 -13.814 12.655 -1.642 1.00 3.03 H new ATOM 0 HZ2 LYS A 102 -14.117 11.873 -3.119 1.00 3.03 H new ATOM 0 HZ3 LYS A 102 -15.103 13.164 -2.624 1.00 3.03 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.553 1.943 -4.857 1.00 0.89 CU