USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 Single : A 1 MET CE :methyl -174:sc= -0.028 (180deg=-0.165) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.27 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= -0.951 K(o=-0.95,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.316 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0802 USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.15 (180deg=1.12) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -82:sc= 0.0829 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -129:sc= 1.22 (180deg=-0.096) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 1.25 (180deg=0.727) USER MOD Single : A 31 GLN : amide:sc= -1.99! C(o=-2!,f=-3.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= 0.00681 K(o=0.0068,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.71 K(o=-0.71,f=-0.2) USER MOD Single : A 55 THR OG1 : rot -60:sc= 1.26 USER MOD Single : A 57 SER OG : rot 59:sc= 0.614 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.00275 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= -0.284 (180deg=-1.27!) USER MOD Single : A 65 SER OG : rot 70:sc= 1.05 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.502 -4.173 -3.742 1.00 0.78 N ATOM 2 CA MET A 1 12.153 -4.839 -2.468 1.00 0.70 C ATOM 3 C MET A 1 10.770 -5.389 -2.520 1.00 0.62 C ATOM 4 O MET A 1 9.869 -4.885 -3.189 1.00 0.68 O ATOM 5 CB MET A 1 12.400 -3.801 -1.360 1.00 0.75 C ATOM 6 CG MET A 1 11.429 -2.617 -1.348 1.00 0.79 C ATOM 7 SD MET A 1 11.632 -1.418 0.004 1.00 1.10 S ATOM 8 CE MET A 1 10.214 -0.345 -0.363 1.00 0.84 C ATOM 0 H1 MET A 1 13.436 -3.724 -3.655 1.00 0.78 H new ATOM 0 H2 MET A 1 12.527 -4.877 -4.507 1.00 0.78 H new ATOM 0 H3 MET A 1 11.789 -3.448 -3.962 1.00 0.78 H new ATOM 0 HA MET A 1 12.770 -5.715 -2.264 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.346 -4.304 -0.394 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.415 -3.417 -1.464 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.528 -2.085 -2.294 1.00 0.79 H new ATOM 0 HG3 MET A 1 10.413 -3.009 -1.307 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.230 0.519 0.301 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.271 -0.009 -1.398 1.00 0.84 H new ATOM 0 HE3 MET A 1 9.289 -0.901 -0.212 1.00 0.84 H new ATOM 20 N GLN A 2 10.421 -6.492 -1.835 1.00 0.59 N ATOM 21 CA GLN A 2 9.191 -7.223 -1.854 1.00 0.56 C ATOM 22 C GLN A 2 8.428 -6.817 -0.640 1.00 0.50 C ATOM 23 O GLN A 2 8.743 -7.466 0.356 1.00 0.60 O ATOM 24 CB GLN A 2 9.369 -8.745 -1.987 1.00 0.71 C ATOM 25 CG GLN A 2 9.893 -9.138 -3.370 1.00 1.15 C ATOM 26 CD GLN A 2 9.219 -10.261 -4.144 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.436 -11.409 -3.760 1.00 1.87 O ATOM 28 NE2 GLN A 2 8.577 -9.959 -5.304 1.00 1.72 N ATOM 0 H GLN A 2 11.085 -6.921 -1.190 1.00 0.59 H new ATOM 0 HA GLN A 2 8.629 -6.973 -2.754 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.061 -9.098 -1.222 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.415 -9.240 -1.806 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.859 -8.246 -3.996 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.943 -9.407 -3.255 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.428 -8.984 -5.566 1.00 1.72 H new ATOM 0 HE22 GLN A 2 8.244 -10.707 -5.912 1.00 1.72 H new ATOM 37 N ILE A 3 7.529 -5.823 -0.759 1.00 0.44 N ATOM 38 CA ILE A 3 6.649 -5.469 0.311 1.00 0.42 C ATOM 39 C ILE A 3 5.400 -6.281 0.370 1.00 0.40 C ATOM 40 O ILE A 3 4.927 -6.846 -0.614 1.00 0.50 O ATOM 41 CB ILE A 3 6.384 -4.000 0.454 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.533 -3.514 -0.731 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.786 -3.391 0.626 1.00 0.61 C ATOM 44 CD1 ILE A 3 4.803 -2.178 -0.603 1.00 0.72 C ATOM 0 H ILE A 3 7.412 -5.261 -1.602 1.00 0.44 H new ATOM 0 HA ILE A 3 7.225 -5.739 1.196 1.00 0.42 H new ATOM 0 HB ILE A 3 5.778 -3.697 1.308 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.183 -3.455 -1.604 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.787 -4.281 -0.940 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.702 -2.310 0.739 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.260 -3.813 1.512 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.391 -3.618 -0.252 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.248 -1.977 -1.520 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.111 -2.221 0.238 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.528 -1.382 -0.436 1.00 0.72 H new ATOM 56 N PHE A 4 4.879 -6.459 1.597 1.00 0.37 N ATOM 57 CA PHE A 4 3.707 -7.195 1.960 1.00 0.38 C ATOM 58 C PHE A 4 2.546 -6.356 2.365 1.00 0.39 C ATOM 59 O PHE A 4 2.627 -5.703 3.405 1.00 0.60 O ATOM 60 CB PHE A 4 3.949 -8.085 3.191 1.00 0.45 C ATOM 61 CG PHE A 4 5.055 -9.018 2.839 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.809 -10.100 2.027 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.296 -8.851 3.407 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.771 -11.068 1.855 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.276 -9.799 3.233 1.00 1.40 C ATOM 66 CZ PHE A 4 7.016 -10.862 2.399 1.00 0.85 C ATOM 0 H PHE A 4 5.325 -6.045 2.415 1.00 0.37 H new ATOM 0 HA PHE A 4 3.488 -7.751 1.048 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.215 -7.481 4.058 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.046 -8.637 3.452 1.00 0.45 H new ATOM 0 HD1 PHE A 4 3.858 -10.190 1.523 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.502 -7.968 3.994 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.552 -11.971 1.304 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.226 -9.712 3.738 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.812 -11.553 2.166 1.00 0.85 H new ATOM 76 N VAL A 5 1.481 -6.247 1.551 1.00 0.35 N ATOM 77 CA VAL A 5 0.294 -5.528 1.893 1.00 0.35 C ATOM 78 C VAL A 5 -0.718 -6.457 2.472 1.00 0.35 C ATOM 79 O VAL A 5 -1.170 -7.409 1.840 1.00 0.46 O ATOM 80 CB VAL A 5 -0.289 -4.871 0.677 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.509 -4.024 1.076 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.763 -3.982 -0.009 1.00 0.56 C ATOM 0 H VAL A 5 1.445 -6.673 0.625 1.00 0.35 H new ATOM 0 HA VAL A 5 0.557 -4.765 2.626 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.602 -5.646 -0.023 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.928 -3.549 0.189 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.262 -4.664 1.535 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.203 -3.257 1.787 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.324 -3.513 -0.889 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.096 -3.211 0.685 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.615 -4.592 -0.310 1.00 0.56 H new ATOM 92 N LYS A 6 -1.093 -6.271 3.750 1.00 0.36 N ATOM 93 CA LYS A 6 -2.107 -7.046 4.393 1.00 0.39 C ATOM 94 C LYS A 6 -3.416 -6.338 4.327 1.00 0.46 C ATOM 95 O LYS A 6 -3.600 -5.166 4.651 1.00 0.53 O ATOM 96 CB LYS A 6 -1.744 -7.285 5.868 1.00 0.54 C ATOM 97 CG LYS A 6 -0.432 -8.052 6.058 1.00 1.22 C ATOM 98 CD LYS A 6 -0.360 -8.654 7.462 1.00 1.37 C ATOM 99 CE LYS A 6 0.987 -9.284 7.821 1.00 1.93 C ATOM 100 NZ LYS A 6 0.849 -10.364 8.823 1.00 2.09 N ATOM 0 H LYS A 6 -0.679 -5.561 4.353 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.181 -8.003 3.877 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.670 -6.324 6.376 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.552 -7.838 6.348 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.356 -8.844 5.313 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.413 -7.382 5.900 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.586 -7.874 8.189 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.137 -9.412 7.557 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.451 -9.684 6.919 1.00 1.93 H new ATOM 0 HE3 LYS A 6 1.655 -8.514 8.208 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.786 -10.762 9.036 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.430 -9.978 9.694 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.233 -11.112 8.445 1.00 2.09 H new ATOM 114 N THR A 7 -4.513 -6.982 3.893 1.00 0.58 N ATOM 115 CA THR A 7 -5.871 -6.548 4.018 1.00 0.78 C ATOM 116 C THR A 7 -6.396 -6.684 5.406 1.00 0.94 C ATOM 117 O THR A 7 -5.625 -7.090 6.274 1.00 0.99 O ATOM 118 CB THR A 7 -6.736 -7.386 3.123 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.802 -8.779 3.391 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.194 -7.203 1.695 1.00 0.92 C ATOM 0 H THR A 7 -4.444 -7.881 3.415 1.00 0.58 H new ATOM 0 HA THR A 7 -5.893 -5.493 3.744 1.00 0.78 H new ATOM 0 HB THR A 7 -7.755 -7.036 3.288 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.397 -9.209 2.742 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.791 -7.794 1.001 1.00 0.92 H new ATOM 0 HG22 THR A 7 -6.250 -6.151 1.417 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.156 -7.534 1.654 1.00 0.92 H new ATOM 128 N LEU A 8 -7.704 -6.418 5.573 1.00 1.17 N ATOM 129 CA LEU A 8 -8.373 -6.707 6.803 1.00 1.39 C ATOM 130 C LEU A 8 -8.809 -8.117 7.005 1.00 1.44 C ATOM 131 O LEU A 8 -8.505 -8.745 8.019 1.00 1.60 O ATOM 132 CB LEU A 8 -9.636 -5.849 6.984 1.00 1.66 C ATOM 133 CG LEU A 8 -9.514 -4.320 6.867 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.868 -3.635 7.122 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.457 -3.887 7.896 1.00 2.43 C ATOM 0 H LEU A 8 -8.298 -6.003 4.856 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.596 -6.483 7.533 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.368 -6.179 6.247 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.050 -6.073 7.967 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.214 -4.025 5.861 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.752 -2.555 7.033 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.596 -3.983 6.389 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.217 -3.881 8.125 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.331 -2.805 7.855 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -8.782 -4.176 8.895 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -7.508 -4.372 7.669 1.00 2.43 H new ATOM 147 N THR A 9 -9.501 -8.801 6.077 1.00 1.41 N ATOM 148 CA THR A 9 -10.059 -10.104 6.269 1.00 1.51 C ATOM 149 C THR A 9 -9.005 -11.129 6.511 1.00 1.37 C ATOM 150 O THR A 9 -8.971 -11.838 7.515 1.00 1.62 O ATOM 151 CB THR A 9 -10.954 -10.574 5.161 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.279 -10.541 3.912 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.186 -9.653 5.159 1.00 2.08 C ATOM 0 H THR A 9 -9.680 -8.426 5.145 1.00 1.41 H new ATOM 0 HA THR A 9 -10.684 -9.991 7.155 1.00 1.51 H new ATOM 0 HB THR A 9 -11.254 -11.610 5.318 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.882 -10.853 3.206 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.868 -9.959 4.365 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.694 -9.723 6.121 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.870 -8.624 4.989 1.00 2.08 H new ATOM 161 N GLY A 10 -8.052 -11.229 5.567 1.00 1.18 N ATOM 162 CA GLY A 10 -6.951 -12.097 5.852 1.00 1.22 C ATOM 163 C GLY A 10 -6.158 -12.403 4.628 1.00 0.99 C ATOM 164 O GLY A 10 -6.178 -13.569 4.235 1.00 1.31 O ATOM 0 H GLY A 10 -8.036 -10.747 4.668 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.305 -11.633 6.597 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.322 -13.025 6.286 1.00 1.22 H new ATOM 168 N LYS A 11 -5.666 -11.425 3.847 1.00 0.73 N ATOM 169 CA LYS A 11 -5.020 -11.768 2.619 1.00 0.60 C ATOM 170 C LYS A 11 -3.810 -10.900 2.577 1.00 0.51 C ATOM 171 O LYS A 11 -3.859 -9.674 2.665 1.00 0.63 O ATOM 172 CB LYS A 11 -5.959 -11.629 1.409 1.00 0.75 C ATOM 173 CG LYS A 11 -5.291 -12.096 0.115 1.00 0.87 C ATOM 174 CD LYS A 11 -6.191 -11.865 -1.101 1.00 1.04 C ATOM 175 CE LYS A 11 -5.406 -12.335 -2.325 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.148 -12.260 -3.603 1.00 1.40 N ATOM 0 H LYS A 11 -5.712 -10.428 4.056 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.732 -12.818 2.568 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.864 -12.212 1.582 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.266 -10.588 1.305 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.350 -11.563 -0.022 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -5.049 -13.156 0.192 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -7.124 -12.420 -1.003 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.455 -10.811 -1.192 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.500 -11.735 -2.411 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.091 -13.366 -2.164 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.553 -12.629 -4.372 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -7.016 -12.828 -3.534 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.397 -11.270 -3.802 1.00 1.40 H new ATOM 190 N THR A 12 -2.611 -11.488 2.417 1.00 0.49 N ATOM 191 CA THR A 12 -1.395 -10.746 2.277 1.00 0.48 C ATOM 192 C THR A 12 -0.829 -10.745 0.899 1.00 0.52 C ATOM 193 O THR A 12 -0.433 -11.796 0.400 1.00 0.72 O ATOM 194 CB THR A 12 -0.330 -11.269 3.194 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.826 -11.403 4.518 1.00 0.77 O ATOM 196 CG2 THR A 12 0.917 -10.368 3.179 1.00 0.78 C ATOM 0 H THR A 12 -2.483 -12.499 2.384 1.00 0.49 H new ATOM 0 HA THR A 12 -1.679 -9.725 2.531 1.00 0.48 H new ATOM 0 HB THR A 12 -0.038 -12.254 2.829 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.116 -11.747 5.100 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.669 -10.776 3.854 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.322 -10.325 2.168 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.644 -9.364 3.504 1.00 0.78 H new ATOM 204 N ILE A 13 -0.796 -9.591 0.210 1.00 0.48 N ATOM 205 CA ILE A 13 -0.344 -9.532 -1.146 1.00 0.55 C ATOM 206 C ILE A 13 1.087 -9.131 -1.239 1.00 0.51 C ATOM 207 O ILE A 13 1.550 -8.166 -0.630 1.00 0.56 O ATOM 208 CB ILE A 13 -1.190 -8.494 -1.824 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.696 -8.561 -1.522 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.853 -8.498 -3.324 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.402 -7.312 -2.050 1.00 1.55 C ATOM 0 H ILE A 13 -1.085 -8.692 0.595 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.431 -10.515 -1.609 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.932 -7.526 -1.394 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -3.126 -9.451 -1.981 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.854 -8.649 -0.447 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.458 -7.749 -3.835 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.203 -8.265 -3.460 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.064 -9.482 -3.742 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.467 -7.375 -1.828 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.983 -6.427 -1.570 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.259 -7.242 -3.128 1.00 1.55 H new ATOM 223 N THR A 14 1.940 -9.919 -1.918 1.00 0.55 N ATOM 224 CA THR A 14 3.324 -9.615 -2.114 1.00 0.54 C ATOM 225 C THR A 14 3.532 -8.825 -3.360 1.00 0.55 C ATOM 226 O THR A 14 3.263 -9.271 -4.475 1.00 0.72 O ATOM 227 CB THR A 14 4.236 -10.798 -2.239 1.00 0.67 C ATOM 228 OG1 THR A 14 4.073 -11.765 -1.212 1.00 1.08 O ATOM 229 CG2 THR A 14 5.696 -10.342 -2.081 1.00 1.03 C ATOM 0 H THR A 14 1.656 -10.800 -2.346 1.00 0.55 H new ATOM 0 HA THR A 14 3.579 -9.068 -1.206 1.00 0.54 H new ATOM 0 HB THR A 14 3.994 -11.230 -3.210 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.574 -11.486 -0.418 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.358 -11.203 -2.172 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.936 -9.616 -2.857 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.830 -9.883 -1.101 1.00 1.03 H new ATOM 237 N LEU A 15 4.071 -7.599 -3.231 1.00 0.50 N ATOM 238 CA LEU A 15 4.329 -6.698 -4.310 1.00 0.55 C ATOM 239 C LEU A 15 5.798 -6.462 -4.405 1.00 0.52 C ATOM 240 O LEU A 15 6.549 -6.641 -3.448 1.00 0.58 O ATOM 241 CB LEU A 15 3.718 -5.294 -4.168 1.00 0.69 C ATOM 242 CG LEU A 15 2.206 -5.230 -3.894 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.830 -3.749 -3.711 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.298 -5.939 -4.913 1.00 1.55 C ATOM 0 H LEU A 15 4.341 -7.217 -2.325 1.00 0.50 H new ATOM 0 HA LEU A 15 3.879 -7.185 -5.175 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.234 -4.777 -3.359 1.00 0.69 H new ATOM 0 HB3 LEU A 15 3.923 -4.738 -5.083 1.00 0.69 H new ATOM 0 HG LEU A 15 2.020 -5.807 -2.988 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.761 -3.667 -3.514 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.387 -3.333 -2.871 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.076 -3.196 -4.618 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.256 -5.825 -4.613 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.443 -5.497 -5.899 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.551 -6.999 -4.950 1.00 1.55 H new ATOM 256 N GLU A 16 6.364 -6.128 -5.578 1.00 0.59 N ATOM 257 CA GLU A 16 7.723 -5.725 -5.770 1.00 0.63 C ATOM 258 C GLU A 16 7.719 -4.271 -6.096 1.00 0.65 C ATOM 259 O GLU A 16 6.999 -3.819 -6.983 1.00 0.81 O ATOM 260 CB GLU A 16 8.483 -6.590 -6.790 1.00 0.76 C ATOM 261 CG GLU A 16 10.009 -6.621 -6.665 1.00 1.41 C ATOM 262 CD GLU A 16 10.653 -7.636 -7.598 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.067 -7.745 -8.709 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.720 -8.250 -7.335 1.00 1.92 O ATOM 0 H GLU A 16 5.836 -6.140 -6.451 1.00 0.59 H new ATOM 0 HA GLU A 16 8.287 -5.887 -4.851 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.114 -7.613 -6.710 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.231 -6.237 -7.790 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.408 -5.630 -6.882 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.281 -6.856 -5.636 1.00 1.41 H new ATOM 271 N VAL A 17 8.562 -3.484 -5.403 1.00 0.61 N ATOM 272 CA VAL A 17 8.672 -2.073 -5.611 1.00 0.63 C ATOM 273 C VAL A 17 10.089 -1.648 -5.431 1.00 0.65 C ATOM 274 O VAL A 17 10.940 -2.348 -4.884 1.00 0.76 O ATOM 275 CB VAL A 17 7.896 -1.321 -4.571 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.394 -1.646 -4.649 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.363 -1.658 -3.145 1.00 0.92 C ATOM 0 H VAL A 17 9.185 -3.839 -4.677 1.00 0.61 H new ATOM 0 HA VAL A 17 8.299 -1.864 -6.614 1.00 0.63 H new ATOM 0 HB VAL A 17 8.072 -0.265 -4.778 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.860 -1.085 -3.882 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.013 -1.370 -5.632 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.244 -2.714 -4.488 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.773 -1.090 -2.425 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.231 -2.724 -2.961 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.416 -1.398 -3.036 1.00 0.92 H new ATOM 287 N GLU A 18 10.346 -0.363 -5.732 1.00 0.68 N ATOM 288 CA GLU A 18 11.549 0.335 -5.397 1.00 0.74 C ATOM 289 C GLU A 18 11.172 1.255 -4.286 1.00 0.71 C ATOM 290 O GLU A 18 9.996 1.519 -4.041 1.00 0.74 O ATOM 291 CB GLU A 18 12.165 1.125 -6.563 1.00 0.88 C ATOM 292 CG GLU A 18 12.877 0.100 -7.448 1.00 1.16 C ATOM 293 CD GLU A 18 14.279 -0.261 -6.980 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.087 0.704 -7.017 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.506 -1.415 -6.528 1.00 2.33 O ATOM 0 H GLU A 18 9.679 0.221 -6.236 1.00 0.68 H new ATOM 0 HA GLU A 18 12.322 -0.382 -5.121 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.395 1.654 -7.124 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.865 1.876 -6.197 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.275 -0.808 -7.490 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.935 0.491 -8.464 1.00 1.16 H new ATOM 302 N PRO A 19 12.015 1.784 -3.450 1.00 0.74 N ATOM 303 CA PRO A 19 11.601 2.558 -2.317 1.00 0.74 C ATOM 304 C PRO A 19 11.391 3.949 -2.809 1.00 0.70 C ATOM 305 O PRO A 19 10.896 4.809 -2.082 1.00 0.74 O ATOM 306 CB PRO A 19 12.821 2.534 -1.399 1.00 0.86 C ATOM 307 CG PRO A 19 13.998 2.311 -2.361 1.00 0.95 C ATOM 308 CD PRO A 19 13.383 1.301 -3.342 1.00 0.82 C ATOM 0 HA PRO A 19 10.699 2.198 -1.822 1.00 0.74 H new ATOM 0 HB2 PRO A 19 12.926 3.469 -0.848 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.751 1.735 -0.661 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.307 3.232 -2.856 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.876 1.912 -1.854 1.00 0.95 H new ATOM 0 HD2 PRO A 19 13.894 1.303 -4.305 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.427 0.281 -2.960 1.00 0.82 H new ATOM 316 N SER A 20 11.812 4.296 -4.038 1.00 0.70 N ATOM 317 CA SER A 20 11.843 5.556 -4.714 1.00 0.74 C ATOM 318 C SER A 20 10.613 5.748 -5.533 1.00 0.71 C ATOM 319 O SER A 20 10.444 6.864 -6.020 1.00 0.80 O ATOM 320 CB SER A 20 13.068 5.690 -5.635 1.00 0.89 C ATOM 321 OG SER A 20 13.230 4.571 -6.494 1.00 1.45 O ATOM 0 H SER A 20 12.189 3.572 -4.649 1.00 0.70 H new ATOM 0 HA SER A 20 11.901 6.320 -3.938 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.969 6.594 -6.236 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.964 5.809 -5.026 1.00 0.89 H new ATOM 0 HG SER A 20 14.019 4.704 -7.059 1.00 1.45 H new ATOM 327 N ASP A 21 9.672 4.792 -5.638 1.00 0.70 N ATOM 328 CA ASP A 21 8.431 4.873 -6.343 1.00 0.73 C ATOM 329 C ASP A 21 7.526 5.746 -5.544 1.00 0.64 C ATOM 330 O ASP A 21 7.577 5.841 -4.318 1.00 0.66 O ATOM 331 CB ASP A 21 7.898 3.436 -6.464 1.00 0.87 C ATOM 332 CG ASP A 21 8.600 2.516 -7.453 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.147 3.107 -8.422 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.595 1.264 -7.310 1.00 1.69 O ATOM 0 H ASP A 21 9.793 3.884 -5.189 1.00 0.70 H new ATOM 0 HA ASP A 21 8.521 5.299 -7.342 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.947 2.973 -5.478 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.845 3.488 -6.740 1.00 0.87 H new ATOM 339 N THR A 22 6.563 6.446 -6.169 1.00 0.63 N ATOM 340 CA THR A 22 5.588 7.227 -5.472 1.00 0.58 C ATOM 341 C THR A 22 4.470 6.305 -5.122 1.00 0.53 C ATOM 342 O THR A 22 4.244 5.324 -5.827 1.00 0.58 O ATOM 343 CB THR A 22 4.949 8.380 -6.189 1.00 0.63 C ATOM 344 OG1 THR A 22 4.348 8.189 -7.460 1.00 0.70 O ATOM 345 CG2 THR A 22 5.966 9.520 -6.371 1.00 0.75 C ATOM 0 H THR A 22 6.459 6.470 -7.183 1.00 0.63 H new ATOM 0 HA THR A 22 6.145 7.674 -4.649 1.00 0.58 H new ATOM 0 HB THR A 22 4.116 8.583 -5.516 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.981 9.040 -7.780 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.491 10.351 -6.892 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.315 9.856 -5.394 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.814 9.162 -6.955 1.00 0.75 H new ATOM 353 N ILE A 23 3.653 6.595 -4.093 1.00 0.51 N ATOM 354 CA ILE A 23 2.470 5.956 -3.607 1.00 0.48 C ATOM 355 C ILE A 23 1.544 5.575 -4.711 1.00 0.48 C ATOM 356 O ILE A 23 1.106 4.426 -4.753 1.00 0.51 O ATOM 357 CB ILE A 23 1.897 6.794 -2.504 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.861 7.118 -1.349 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.505 6.305 -2.068 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.508 5.849 -0.797 1.00 0.73 C ATOM 0 H ILE A 23 3.863 7.409 -3.515 1.00 0.51 H new ATOM 0 HA ILE A 23 2.697 4.987 -3.162 1.00 0.48 H new ATOM 0 HB ILE A 23 1.743 7.779 -2.945 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.635 7.801 -1.699 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.320 7.629 -0.553 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.130 6.942 -1.267 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.178 6.348 -2.916 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.576 5.277 -1.711 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.184 6.110 0.018 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.734 5.178 -0.425 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.069 5.353 -1.589 1.00 0.73 H new ATOM 372 N GLU A 24 1.226 6.471 -5.662 1.00 0.50 N ATOM 373 CA GLU A 24 0.580 6.229 -6.915 1.00 0.53 C ATOM 374 C GLU A 24 0.872 4.965 -7.646 1.00 0.50 C ATOM 375 O GLU A 24 0.015 4.162 -8.015 1.00 0.55 O ATOM 376 CB GLU A 24 0.793 7.411 -7.875 1.00 0.64 C ATOM 377 CG GLU A 24 -0.036 7.506 -9.157 1.00 0.95 C ATOM 378 CD GLU A 24 0.098 8.728 -10.054 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.283 9.844 -9.608 1.00 1.56 O ATOM 380 OE2 GLU A 24 0.653 8.635 -11.181 1.00 1.62 O ATOM 0 H GLU A 24 1.443 7.460 -5.540 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.457 6.112 -6.600 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.621 8.326 -7.308 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.843 7.409 -8.166 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.199 6.631 -9.762 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.085 7.424 -8.873 1.00 0.95 H new ATOM 387 N ASN A 25 2.177 4.799 -7.924 1.00 0.51 N ATOM 388 CA ASN A 25 2.660 3.642 -8.611 1.00 0.52 C ATOM 389 C ASN A 25 2.617 2.396 -7.796 1.00 0.47 C ATOM 390 O ASN A 25 2.404 1.297 -8.306 1.00 0.53 O ATOM 391 CB ASN A 25 4.109 3.908 -9.053 1.00 0.64 C ATOM 392 CG ASN A 25 4.714 2.840 -9.954 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.309 1.833 -9.576 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.467 3.115 -11.263 1.00 1.57 N ATOM 0 H ASN A 25 2.902 5.471 -7.671 1.00 0.51 H new ATOM 0 HA ASN A 25 1.999 3.475 -9.461 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.144 4.864 -9.575 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.732 4.007 -8.164 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.781 2.469 -11.988 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.968 3.967 -11.520 1.00 1.57 H new ATOM 401 N VAL A 26 2.707 2.493 -6.457 1.00 0.45 N ATOM 402 CA VAL A 26 2.498 1.422 -5.533 1.00 0.44 C ATOM 403 C VAL A 26 1.121 0.854 -5.562 1.00 0.40 C ATOM 404 O VAL A 26 0.832 -0.327 -5.754 1.00 0.44 O ATOM 405 CB VAL A 26 2.923 1.675 -4.117 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.711 0.439 -3.226 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.429 1.977 -4.201 1.00 0.62 C ATOM 0 H VAL A 26 2.939 3.371 -5.993 1.00 0.45 H new ATOM 0 HA VAL A 26 3.188 0.673 -5.921 1.00 0.44 H new ATOM 0 HB VAL A 26 2.340 2.485 -3.679 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.031 0.664 -2.209 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.655 0.170 -3.223 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.296 -0.394 -3.614 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.817 2.174 -3.202 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.949 1.120 -4.630 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.590 2.851 -4.831 1.00 0.62 H new ATOM 417 N LYS A 27 0.102 1.730 -5.516 1.00 0.40 N ATOM 418 CA LYS A 27 -1.296 1.444 -5.612 1.00 0.41 C ATOM 419 C LYS A 27 -1.725 0.789 -6.880 1.00 0.38 C ATOM 420 O LYS A 27 -2.524 -0.143 -6.961 1.00 0.42 O ATOM 421 CB LYS A 27 -2.055 2.775 -5.486 1.00 0.51 C ATOM 422 CG LYS A 27 -1.991 3.494 -4.136 1.00 0.76 C ATOM 423 CD LYS A 27 -2.944 4.649 -3.825 1.00 0.82 C ATOM 424 CE LYS A 27 -2.743 5.848 -4.754 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.696 6.957 -4.519 1.00 1.11 N ATOM 0 H LYS A 27 0.274 2.729 -5.401 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.518 0.734 -4.816 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.674 3.454 -6.248 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.103 2.589 -5.720 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.137 2.740 -3.363 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -0.976 3.875 -4.022 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.973 4.298 -3.909 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.799 4.966 -2.792 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.727 6.223 -4.632 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.837 5.514 -5.787 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.137 7.232 -5.420 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.432 6.647 -3.853 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.189 7.772 -4.119 1.00 1.11 H new ATOM 439 N ALA A 28 -1.105 1.197 -8.002 1.00 0.39 N ATOM 440 CA ALA A 28 -1.374 0.679 -9.307 1.00 0.39 C ATOM 441 C ALA A 28 -0.827 -0.692 -9.505 1.00 0.36 C ATOM 442 O ALA A 28 -1.221 -1.432 -10.404 1.00 0.42 O ATOM 443 CB ALA A 28 -0.828 1.746 -10.270 1.00 0.51 C ATOM 0 H ALA A 28 -0.385 1.919 -7.999 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.437 0.520 -9.486 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.994 1.427 -11.299 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.343 2.691 -10.096 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.240 1.878 -10.099 1.00 0.51 H new ATOM 449 N LYS A 29 0.069 -1.140 -8.606 1.00 0.39 N ATOM 450 CA LYS A 29 0.540 -2.489 -8.531 1.00 0.43 C ATOM 451 C LYS A 29 -0.447 -3.451 -7.963 1.00 0.44 C ATOM 452 O LYS A 29 -0.564 -4.590 -8.411 1.00 0.54 O ATOM 453 CB LYS A 29 1.848 -2.453 -7.724 1.00 0.54 C ATOM 454 CG LYS A 29 2.742 -3.668 -7.982 1.00 0.65 C ATOM 455 CD LYS A 29 4.222 -3.317 -7.816 1.00 1.08 C ATOM 456 CE LYS A 29 4.863 -2.628 -9.024 1.00 1.24 C ATOM 457 NZ LYS A 29 6.190 -2.013 -8.806 1.00 1.44 N ATOM 0 H LYS A 29 0.484 -0.533 -7.899 1.00 0.39 H new ATOM 0 HA LYS A 29 0.706 -2.868 -9.539 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.397 -1.545 -7.973 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.612 -2.402 -6.661 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.477 -4.470 -7.293 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.566 -4.043 -8.990 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.331 -2.668 -6.947 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.775 -4.232 -7.603 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.954 -3.361 -9.826 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.182 -1.853 -9.376 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.688 -1.932 -9.715 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.070 -1.067 -8.391 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.746 -2.607 -8.158 1.00 1.44 H new ATOM 471 N ILE A 30 -1.136 -3.000 -6.900 1.00 0.41 N ATOM 472 CA ILE A 30 -2.299 -3.676 -6.416 1.00 0.44 C ATOM 473 C ILE A 30 -3.347 -3.778 -7.469 1.00 0.45 C ATOM 474 O ILE A 30 -4.002 -4.800 -7.672 1.00 0.56 O ATOM 475 CB ILE A 30 -2.735 -3.016 -5.141 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.700 -3.168 -4.014 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.083 -3.600 -4.687 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.371 -2.972 -2.656 1.00 1.32 C ATOM 0 H ILE A 30 -0.886 -2.163 -6.373 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.076 -4.715 -6.175 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.836 -1.951 -5.348 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.240 -4.155 -4.062 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.901 -2.438 -4.142 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.395 -3.117 -3.761 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.833 -3.425 -5.458 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.977 -4.672 -4.520 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.630 -3.082 -1.865 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.809 -1.975 -2.607 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -3.154 -3.719 -2.526 1.00 1.32 H new ATOM 490 N GLN A 31 -3.609 -2.660 -8.170 1.00 0.41 N ATOM 491 CA GLN A 31 -4.449 -2.586 -9.324 1.00 0.48 C ATOM 492 C GLN A 31 -4.131 -3.629 -10.339 1.00 0.52 C ATOM 493 O GLN A 31 -4.957 -4.343 -10.904 1.00 0.66 O ATOM 494 CB GLN A 31 -4.529 -1.170 -9.918 1.00 0.52 C ATOM 495 CG GLN A 31 -5.683 -0.934 -10.896 1.00 0.70 C ATOM 496 CD GLN A 31 -5.645 0.480 -11.457 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.620 1.155 -11.390 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.649 0.942 -12.250 1.00 1.43 N ATOM 0 H GLN A 31 -3.211 -1.756 -7.915 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.456 -2.813 -8.974 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.616 -0.455 -9.100 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.591 -0.955 -10.430 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.625 -1.654 -11.712 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.633 -1.102 -10.389 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.517 0.413 -12.334 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.534 1.818 -12.760 1.00 1.43 H new ATOM 507 N ASP A 32 -2.835 -3.872 -10.604 1.00 0.50 N ATOM 508 CA ASP A 32 -2.334 -4.973 -11.366 1.00 0.60 C ATOM 509 C ASP A 32 -2.669 -6.305 -10.789 1.00 0.65 C ATOM 510 O ASP A 32 -3.451 -7.067 -11.354 1.00 0.81 O ATOM 511 CB ASP A 32 -0.808 -4.825 -11.491 1.00 0.67 C ATOM 512 CG ASP A 32 -0.208 -5.875 -12.415 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.535 -5.689 -13.618 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.392 -6.919 -12.045 1.00 1.51 O ATOM 0 H ASP A 32 -2.092 -3.261 -10.265 1.00 0.50 H new ATOM 0 HA ASP A 32 -2.819 -4.941 -12.342 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.570 -3.831 -11.869 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.353 -4.908 -10.504 1.00 0.67 H new ATOM 519 N LYS A 33 -2.244 -6.574 -9.542 1.00 0.62 N ATOM 520 CA LYS A 33 -2.273 -7.833 -8.864 1.00 0.73 C ATOM 521 C LYS A 33 -3.650 -8.293 -8.527 1.00 0.69 C ATOM 522 O LYS A 33 -4.136 -9.343 -8.946 1.00 0.83 O ATOM 523 CB LYS A 33 -1.403 -7.709 -7.602 1.00 0.85 C ATOM 524 CG LYS A 33 -1.380 -8.991 -6.767 1.00 1.31 C ATOM 525 CD LYS A 33 -0.426 -10.000 -7.410 1.00 1.71 C ATOM 526 CE LYS A 33 0.140 -10.956 -6.358 1.00 2.26 C ATOM 527 NZ LYS A 33 0.824 -12.131 -6.943 1.00 2.62 N ATOM 0 H LYS A 33 -1.844 -5.841 -8.956 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.878 -8.596 -9.534 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.384 -7.452 -7.893 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.776 -6.889 -6.989 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.060 -8.769 -5.749 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -2.383 -9.413 -6.701 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.952 -10.567 -8.178 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.389 -9.473 -7.905 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.842 -10.414 -5.724 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -0.671 -11.299 -5.715 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 1.184 -12.739 -6.180 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.152 -12.669 -7.526 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.617 -11.812 -7.535 1.00 2.62 H new ATOM 541 N GLU A 34 -4.299 -7.465 -7.690 1.00 0.63 N ATOM 542 CA GLU A 34 -5.524 -7.700 -6.992 1.00 0.67 C ATOM 543 C GLU A 34 -6.731 -7.339 -7.789 1.00 0.69 C ATOM 544 O GLU A 34 -7.728 -8.053 -7.882 1.00 0.95 O ATOM 545 CB GLU A 34 -5.543 -6.987 -5.629 1.00 0.73 C ATOM 546 CG GLU A 34 -6.692 -7.412 -4.712 1.00 0.83 C ATOM 547 CD GLU A 34 -6.998 -8.889 -4.505 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.139 -9.703 -4.072 1.00 1.48 O ATOM 549 OE2 GLU A 34 -8.178 -9.240 -4.775 1.00 1.37 O ATOM 0 H GLU A 34 -3.926 -6.538 -7.483 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.567 -8.776 -6.823 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -4.598 -7.177 -5.120 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -5.605 -5.912 -5.795 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -6.498 -6.981 -3.730 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -7.600 -6.944 -5.092 1.00 0.83 H new ATOM 556 N GLY A 35 -6.609 -6.149 -8.404 1.00 0.63 N ATOM 557 CA GLY A 35 -7.601 -5.589 -9.268 1.00 0.68 C ATOM 558 C GLY A 35 -8.516 -4.606 -8.620 1.00 0.76 C ATOM 559 O GLY A 35 -9.720 -4.620 -8.870 1.00 1.12 O ATOM 0 H GLY A 35 -5.788 -5.554 -8.295 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.100 -5.101 -10.104 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.199 -6.400 -9.684 1.00 0.68 H new ATOM 563 N ILE A 36 -7.943 -3.761 -7.745 1.00 0.70 N ATOM 564 CA ILE A 36 -8.610 -2.761 -6.971 1.00 0.76 C ATOM 565 C ILE A 36 -8.261 -1.441 -7.570 1.00 0.71 C ATOM 566 O ILE A 36 -7.083 -1.216 -7.845 1.00 0.73 O ATOM 567 CB ILE A 36 -8.327 -2.803 -5.499 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.366 -4.253 -4.989 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.251 -1.878 -4.689 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.234 -4.284 -3.466 1.00 1.16 C ATOM 0 H ILE A 36 -6.939 -3.779 -7.566 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.682 -2.951 -7.017 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.320 -2.415 -5.347 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.301 -4.726 -5.289 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.558 -4.827 -5.443 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.000 -1.950 -3.631 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.120 -0.849 -5.024 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.288 -2.179 -4.837 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.263 -5.317 -3.119 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.287 -3.830 -3.174 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.057 -3.727 -3.018 1.00 1.16 H new ATOM 582 N PRO A 37 -9.173 -0.540 -7.787 1.00 0.75 N ATOM 583 CA PRO A 37 -8.853 0.769 -8.277 1.00 0.79 C ATOM 584 C PRO A 37 -7.957 1.617 -7.441 1.00 0.75 C ATOM 585 O PRO A 37 -8.133 1.479 -6.232 1.00 0.75 O ATOM 586 CB PRO A 37 -10.205 1.443 -8.495 1.00 0.95 C ATOM 587 CG PRO A 37 -11.068 0.294 -9.041 1.00 1.02 C ATOM 588 CD PRO A 37 -10.577 -0.793 -8.071 1.00 0.85 C ATOM 0 HA PRO A 37 -8.251 0.653 -9.178 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.610 1.849 -7.568 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.137 2.270 -9.202 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.138 0.487 -8.963 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.861 0.062 -10.086 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.161 -0.775 -7.151 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.705 -1.782 -8.511 1.00 0.85 H new ATOM 596 N PRO A 38 -7.048 2.440 -7.872 1.00 0.81 N ATOM 597 CA PRO A 38 -6.062 3.042 -7.022 1.00 0.85 C ATOM 598 C PRO A 38 -6.603 4.220 -6.286 1.00 0.89 C ATOM 599 O PRO A 38 -5.893 4.833 -5.489 1.00 0.99 O ATOM 600 CB PRO A 38 -4.975 3.481 -8.000 1.00 1.01 C ATOM 601 CG PRO A 38 -5.822 3.989 -9.178 1.00 1.25 C ATOM 602 CD PRO A 38 -6.882 2.880 -9.249 1.00 0.98 C ATOM 0 HA PRO A 38 -5.709 2.356 -6.252 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.338 4.262 -7.584 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.322 2.657 -8.287 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.258 4.969 -8.985 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.245 4.073 -10.099 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.819 3.254 -9.661 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.556 2.061 -9.890 1.00 0.98 H new ATOM 610 N ASP A 39 -7.871 4.592 -6.529 1.00 0.96 N ATOM 611 CA ASP A 39 -8.512 5.578 -5.714 1.00 1.11 C ATOM 612 C ASP A 39 -9.064 4.984 -4.464 1.00 1.00 C ATOM 613 O ASP A 39 -9.349 5.620 -3.450 1.00 1.14 O ATOM 614 CB ASP A 39 -9.635 6.376 -6.397 1.00 1.39 C ATOM 615 CG ASP A 39 -10.876 5.642 -6.886 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.728 4.782 -7.795 1.00 2.25 O ATOM 617 OD2 ASP A 39 -12.009 5.872 -6.385 1.00 2.23 O ATOM 0 H ASP A 39 -8.448 4.216 -7.281 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.706 6.280 -5.498 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.963 7.145 -5.698 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -9.198 6.889 -7.254 1.00 1.39 H new ATOM 622 N GLN A 40 -9.386 3.679 -4.508 1.00 0.87 N ATOM 623 CA GLN A 40 -10.001 3.002 -3.408 1.00 0.84 C ATOM 624 C GLN A 40 -9.052 2.493 -2.379 1.00 0.67 C ATOM 625 O GLN A 40 -9.432 2.180 -1.252 1.00 0.80 O ATOM 626 CB GLN A 40 -10.858 1.827 -3.908 1.00 0.95 C ATOM 627 CG GLN A 40 -11.931 2.429 -4.818 1.00 1.32 C ATOM 628 CD GLN A 40 -12.823 1.239 -5.144 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.503 0.072 -4.920 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.069 1.589 -5.563 1.00 2.02 N ATOM 0 H GLN A 40 -9.217 3.084 -5.319 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.614 3.762 -2.923 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.248 1.106 -4.452 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.312 1.295 -3.072 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.486 3.222 -4.316 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.497 2.865 -5.718 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.292 2.569 -5.737 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.780 0.871 -5.703 1.00 2.02 H new ATOM 639 N GLN A 41 -7.782 2.349 -2.800 1.00 0.56 N ATOM 640 CA GLN A 41 -6.800 1.791 -1.922 1.00 0.51 C ATOM 641 C GLN A 41 -6.199 2.838 -1.048 1.00 0.49 C ATOM 642 O GLN A 41 -5.431 3.689 -1.496 1.00 0.65 O ATOM 643 CB GLN A 41 -5.694 1.220 -2.825 1.00 0.67 C ATOM 644 CG GLN A 41 -6.095 -0.011 -3.641 1.00 0.69 C ATOM 645 CD GLN A 41 -4.884 -0.199 -4.545 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.755 -0.223 -4.058 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.204 -0.459 -5.840 1.00 0.61 N ATOM 0 H GLN A 41 -7.441 2.611 -3.725 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.256 1.037 -1.280 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.367 2.001 -3.511 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -4.836 0.962 -2.204 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.271 -0.881 -3.008 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.008 0.157 -4.212 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.176 -0.412 -6.144 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.472 -0.701 -6.507 1.00 0.61 H new ATOM 656 N ARG A 42 -6.376 2.704 0.278 1.00 0.47 N ATOM 657 CA ARG A 42 -5.686 3.503 1.243 1.00 0.55 C ATOM 658 C ARG A 42 -4.761 2.627 2.015 1.00 0.46 C ATOM 659 O ARG A 42 -5.160 1.638 2.628 1.00 0.52 O ATOM 660 CB ARG A 42 -6.590 4.357 2.149 1.00 0.73 C ATOM 661 CG ARG A 42 -7.244 5.586 1.515 1.00 1.04 C ATOM 662 CD ARG A 42 -7.248 6.793 2.456 1.00 1.28 C ATOM 663 NE ARG A 42 -7.757 7.958 1.679 1.00 1.69 N ATOM 664 CZ ARG A 42 -7.010 9.045 1.327 1.00 2.19 C ATOM 665 NH1 ARG A 42 -5.648 9.049 1.403 1.00 2.34 N ATOM 666 NH2 ARG A 42 -7.721 10.144 0.940 1.00 2.78 N ATOM 0 H ARG A 42 -7.014 2.024 0.690 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.117 4.253 0.695 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.380 3.716 2.540 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.998 4.690 3.002 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.714 5.845 0.598 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.269 5.345 1.233 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.881 6.603 3.323 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.244 6.991 2.832 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.735 7.942 1.389 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -5.153 8.220 1.732 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -5.124 9.881 1.131 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -8.740 10.114 0.929 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -7.233 10.995 0.662 1.00 2.78 H new ATOM 680 N LEU A 43 -3.444 2.879 1.893 1.00 0.46 N ATOM 681 CA LEU A 43 -2.420 2.193 2.618 1.00 0.42 C ATOM 682 C LEU A 43 -2.123 2.832 3.930 1.00 0.43 C ATOM 683 O LEU A 43 -2.016 4.050 4.061 1.00 0.55 O ATOM 684 CB LEU A 43 -1.099 2.233 1.831 1.00 0.55 C ATOM 685 CG LEU A 43 -1.159 1.650 0.409 1.00 0.65 C ATOM 686 CD1 LEU A 43 0.063 2.192 -0.354 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.048 0.117 0.374 1.00 1.12 C ATOM 0 H LEU A 43 -3.078 3.592 1.262 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.791 1.179 2.767 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.766 3.269 1.767 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.342 1.689 2.397 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.120 1.932 -0.022 1.00 0.65 H new ATOM 0 HD11 LEU A 43 0.059 1.801 -1.372 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.020 3.281 -0.383 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.976 1.878 0.152 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.097 -0.228 -0.659 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.099 -0.189 0.814 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -1.869 -0.320 0.942 1.00 1.12 H new ATOM 699 N ILE A 44 -1.953 2.068 5.025 1.00 0.42 N ATOM 700 CA ILE A 44 -1.663 2.528 6.346 1.00 0.46 C ATOM 701 C ILE A 44 -0.287 2.029 6.632 1.00 0.42 C ATOM 702 O ILE A 44 -0.006 0.832 6.585 1.00 0.53 O ATOM 703 CB ILE A 44 -2.599 2.110 7.440 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.048 2.292 6.957 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.183 3.024 8.605 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.080 2.521 8.060 1.00 1.27 C ATOM 0 H ILE A 44 -2.024 1.051 4.980 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.773 3.612 6.350 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.549 1.064 7.742 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.081 3.138 6.270 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.338 1.408 6.389 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.804 2.810 9.475 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.137 2.844 8.853 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.313 4.066 8.314 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.068 2.637 7.615 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.085 1.667 8.737 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.824 3.423 8.616 1.00 1.27 H new ATOM 718 N PHE A 45 0.729 2.879 6.864 1.00 0.42 N ATOM 719 CA PHE A 45 1.975 2.452 7.424 1.00 0.46 C ATOM 720 C PHE A 45 2.041 2.941 8.830 1.00 0.68 C ATOM 721 O PHE A 45 1.860 4.124 9.110 1.00 1.50 O ATOM 722 CB PHE A 45 3.118 2.886 6.493 1.00 0.56 C ATOM 723 CG PHE A 45 4.432 2.290 6.868 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.877 1.072 6.409 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.264 3.000 7.701 1.00 1.19 C ATOM 726 CE1 PHE A 45 6.042 0.535 6.904 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.497 2.556 8.118 1.00 1.33 C ATOM 728 CZ PHE A 45 6.858 1.293 7.709 1.00 1.02 C ATOM 0 H PHE A 45 0.686 3.877 6.660 1.00 0.42 H new ATOM 0 HA PHE A 45 2.073 1.368 7.488 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.874 2.600 5.470 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.200 3.973 6.510 1.00 0.56 H new ATOM 0 HD1 PHE A 45 4.311 0.538 5.660 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.929 3.966 8.049 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.315 -0.481 6.660 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.145 3.164 8.732 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.806 0.887 8.029 1.00 1.02 H new ATOM 738 N ALA A 46 2.225 2.038 9.810 1.00 0.81 N ATOM 739 CA ALA A 46 2.218 2.175 11.234 1.00 0.96 C ATOM 740 C ALA A 46 0.903 2.582 11.802 1.00 0.97 C ATOM 741 O ALA A 46 0.045 1.861 12.310 1.00 1.21 O ATOM 742 CB ALA A 46 3.428 2.945 11.788 1.00 1.20 C ATOM 0 H ALA A 46 2.406 1.066 9.558 1.00 0.81 H new ATOM 0 HA ALA A 46 2.354 1.162 11.613 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.353 3.008 12.874 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.346 2.423 11.517 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.444 3.950 11.366 1.00 1.20 H new ATOM 748 N GLY A 47 0.643 3.901 11.774 1.00 0.99 N ATOM 749 CA GLY A 47 -0.558 4.423 12.349 1.00 1.10 C ATOM 750 C GLY A 47 -0.998 5.510 11.431 1.00 1.03 C ATOM 751 O GLY A 47 -1.997 6.177 11.695 1.00 1.30 O ATOM 0 H GLY A 47 1.257 4.601 11.358 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.321 3.649 12.435 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.378 4.806 13.353 1.00 1.10 H new ATOM 755 N LYS A 48 -0.374 5.825 10.280 1.00 0.98 N ATOM 756 CA LYS A 48 -0.795 6.842 9.368 1.00 1.05 C ATOM 757 C LYS A 48 -0.949 6.368 7.964 1.00 0.84 C ATOM 758 O LYS A 48 -0.289 5.455 7.469 1.00 0.81 O ATOM 759 CB LYS A 48 0.134 8.063 9.474 1.00 1.42 C ATOM 760 CG LYS A 48 1.580 7.900 8.999 1.00 1.61 C ATOM 761 CD LYS A 48 2.513 9.094 9.204 1.00 1.87 C ATOM 762 CE LYS A 48 2.840 9.556 10.626 1.00 2.22 C ATOM 763 NZ LYS A 48 3.764 10.711 10.586 1.00 2.55 N ATOM 0 H LYS A 48 0.470 5.343 9.971 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.800 7.140 9.666 1.00 1.05 H new ATOM 0 HB2 LYS A 48 -0.316 8.877 8.906 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.157 8.377 10.517 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.011 7.040 9.512 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.563 7.661 7.936 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.457 8.860 8.711 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.079 9.943 8.676 1.00 1.87 H new ATOM 0 HE2 LYS A 48 1.923 9.832 11.147 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.292 8.738 11.187 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 3.980 11.017 11.556 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.644 10.435 10.106 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.318 11.494 10.067 1.00 2.55 H new ATOM 777 N GLN A 49 -2.002 6.911 7.328 1.00 0.84 N ATOM 778 CA GLN A 49 -2.326 6.800 5.939 1.00 0.80 C ATOM 779 C GLN A 49 -1.331 7.450 5.041 1.00 0.72 C ATOM 780 O GLN A 49 -0.793 8.510 5.355 1.00 0.83 O ATOM 781 CB GLN A 49 -3.679 7.472 5.650 1.00 1.03 C ATOM 782 CG GLN A 49 -4.784 6.512 6.096 1.00 1.67 C ATOM 783 CD GLN A 49 -6.209 6.972 5.822 1.00 1.92 C ATOM 784 OE1 GLN A 49 -7.165 6.199 5.766 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.361 8.315 5.673 1.00 2.48 N ATOM 0 H GLN A 49 -2.686 7.477 7.831 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.343 5.729 5.736 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.757 8.419 6.185 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.774 7.697 4.588 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.629 5.554 5.600 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.678 6.337 7.167 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.548 8.929 5.725 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.288 8.708 5.510 1.00 2.48 H new ATOM 794 N LEU A 50 -1.004 6.909 3.854 1.00 0.69 N ATOM 795 CA LEU A 50 0.002 7.483 3.016 1.00 0.66 C ATOM 796 C LEU A 50 -0.546 8.377 1.957 1.00 0.72 C ATOM 797 O LEU A 50 -1.296 7.966 1.072 1.00 0.90 O ATOM 798 CB LEU A 50 0.755 6.311 2.365 1.00 0.65 C ATOM 799 CG LEU A 50 1.351 5.160 3.193 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.166 4.237 2.270 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.167 5.693 4.383 1.00 0.74 C ATOM 0 H LEU A 50 -1.439 6.069 3.473 1.00 0.69 H new ATOM 0 HA LEU A 50 0.650 8.111 3.627 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.071 5.859 1.647 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.576 6.744 1.794 1.00 0.65 H new ATOM 0 HG LEU A 50 0.546 4.568 3.629 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.590 3.420 2.854 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.515 3.830 1.496 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.971 4.806 1.805 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.575 4.855 4.949 1.00 0.74 H new ATOM 0 HD22 LEU A 50 2.983 6.315 4.015 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.522 6.287 5.030 1.00 0.74 H new ATOM 813 N GLU A 51 -0.043 9.624 1.984 1.00 0.70 N ATOM 814 CA GLU A 51 -0.341 10.754 1.159 1.00 0.76 C ATOM 815 C GLU A 51 0.378 10.727 -0.145 1.00 0.77 C ATOM 816 O GLU A 51 1.525 10.288 -0.228 1.00 1.23 O ATOM 817 CB GLU A 51 -0.071 12.103 1.849 1.00 0.88 C ATOM 818 CG GLU A 51 -0.571 12.011 3.292 1.00 1.35 C ATOM 819 CD GLU A 51 -0.559 13.288 4.120 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.582 13.645 4.521 1.00 1.89 O ATOM 821 OE2 GLU A 51 -1.584 13.967 4.395 1.00 1.94 O ATOM 0 H GLU A 51 0.665 9.867 2.677 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.412 10.669 0.974 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.994 12.333 1.830 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.581 12.909 1.321 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.593 11.633 3.271 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.033 11.267 3.811 1.00 1.35 H new ATOM 828 N ASP A 52 -0.225 11.193 -1.253 1.00 0.66 N ATOM 829 CA ASP A 52 0.195 11.066 -2.615 1.00 0.65 C ATOM 830 C ASP A 52 1.217 12.121 -2.866 1.00 0.60 C ATOM 831 O ASP A 52 1.270 13.212 -2.300 1.00 0.62 O ATOM 832 CB ASP A 52 -1.036 11.112 -3.536 1.00 0.81 C ATOM 833 CG ASP A 52 -1.372 9.670 -3.891 1.00 0.95 C ATOM 834 OD1 ASP A 52 -0.618 9.058 -4.693 1.00 1.44 O ATOM 835 OD2 ASP A 52 -2.462 9.231 -3.437 1.00 1.56 O ATOM 0 H ASP A 52 -1.099 11.714 -1.185 1.00 0.66 H new ATOM 0 HA ASP A 52 0.668 10.108 -2.829 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.876 11.593 -3.035 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.826 11.693 -4.434 1.00 0.81 H new ATOM 840 N GLY A 53 2.137 11.814 -3.798 1.00 0.68 N ATOM 841 CA GLY A 53 3.148 12.687 -4.307 1.00 0.73 C ATOM 842 C GLY A 53 4.392 12.525 -3.504 1.00 0.72 C ATOM 843 O GLY A 53 5.433 13.080 -3.849 1.00 0.97 O ATOM 0 H GLY A 53 2.176 10.889 -4.226 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.346 12.460 -5.355 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.806 13.721 -4.264 1.00 0.73 H new ATOM 847 N ARG A 54 4.225 11.688 -2.464 1.00 0.64 N ATOM 848 CA ARG A 54 5.377 11.291 -1.715 1.00 0.63 C ATOM 849 C ARG A 54 5.867 9.964 -2.181 1.00 0.59 C ATOM 850 O ARG A 54 5.361 9.421 -3.161 1.00 0.62 O ATOM 851 CB ARG A 54 5.068 11.070 -0.226 1.00 0.69 C ATOM 852 CG ARG A 54 4.535 12.309 0.498 1.00 0.82 C ATOM 853 CD ARG A 54 5.557 13.284 1.086 1.00 1.18 C ATOM 854 NE ARG A 54 4.793 14.260 1.912 1.00 1.50 N ATOM 855 CZ ARG A 54 5.298 15.389 2.490 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.625 15.698 2.571 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.395 16.267 3.016 1.00 2.49 N ATOM 0 H ARG A 54 3.335 11.300 -2.151 1.00 0.64 H new ATOM 0 HA ARG A 54 6.098 12.097 -1.856 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.336 10.267 -0.134 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.975 10.733 0.275 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.908 12.862 -0.201 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.889 11.972 1.308 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.292 12.755 1.693 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.106 13.794 0.294 1.00 1.18 H new ATOM 0 HE ARG A 54 3.802 14.067 2.059 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.321 15.062 2.182 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.920 16.565 3.021 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.397 16.063 2.965 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.718 17.127 3.460 1.00 2.49 H new ATOM 871 N THR A 55 7.037 9.523 -1.684 1.00 0.63 N ATOM 872 CA THR A 55 7.502 8.201 -1.972 1.00 0.61 C ATOM 873 C THR A 55 7.479 7.313 -0.775 1.00 0.59 C ATOM 874 O THR A 55 7.238 7.754 0.347 1.00 0.64 O ATOM 875 CB THR A 55 8.910 8.219 -2.489 1.00 0.68 C ATOM 876 OG1 THR A 55 9.798 8.617 -1.455 1.00 0.75 O ATOM 877 CG2 THR A 55 9.052 9.145 -3.709 1.00 0.76 C ATOM 0 H THR A 55 7.655 10.075 -1.089 1.00 0.63 H new ATOM 0 HA THR A 55 6.818 7.812 -2.726 1.00 0.61 H new ATOM 0 HB THR A 55 9.166 7.210 -2.813 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.555 9.514 -1.142 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.085 9.133 -4.057 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.396 8.798 -4.508 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.775 10.161 -3.429 1.00 0.76 H new ATOM 885 N LEU A 56 7.782 6.014 -0.940 1.00 0.58 N ATOM 886 CA LEU A 56 8.011 5.031 0.073 1.00 0.59 C ATOM 887 C LEU A 56 9.025 5.470 1.072 1.00 0.64 C ATOM 888 O LEU A 56 8.808 5.192 2.252 1.00 0.70 O ATOM 889 CB LEU A 56 8.221 3.654 -0.580 1.00 0.60 C ATOM 890 CG LEU A 56 7.067 3.059 -1.403 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.536 1.846 -2.224 1.00 1.05 C ATOM 892 CD2 LEU A 56 5.802 2.805 -0.566 1.00 1.03 C ATOM 0 H LEU A 56 7.875 5.615 -1.874 1.00 0.58 H new ATOM 0 HA LEU A 56 7.125 4.914 0.696 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.093 3.723 -1.230 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.468 2.945 0.210 1.00 0.60 H new ATOM 0 HG LEU A 56 6.757 3.812 -2.128 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.698 1.447 -2.795 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.327 2.153 -2.908 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.916 1.077 -1.552 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.023 2.385 -1.202 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.032 2.105 0.237 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.454 3.745 -0.139 1.00 1.03 H new ATOM 904 N SER A 57 10.031 6.225 0.596 1.00 0.68 N ATOM 905 CA SER A 57 11.166 6.602 1.380 1.00 0.75 C ATOM 906 C SER A 57 10.890 7.673 2.377 1.00 0.76 C ATOM 907 O SER A 57 11.478 7.633 3.457 1.00 0.84 O ATOM 908 CB SER A 57 12.289 7.188 0.508 1.00 0.84 C ATOM 909 OG SER A 57 12.810 6.142 -0.298 1.00 1.19 O ATOM 0 H SER A 57 10.056 6.583 -0.359 1.00 0.68 H new ATOM 0 HA SER A 57 11.443 5.671 1.876 1.00 0.75 H new ATOM 0 HB2 SER A 57 11.905 7.995 -0.116 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.074 7.614 1.133 1.00 0.84 H new ATOM 0 HG SER A 57 12.093 5.767 -0.850 1.00 1.19 H new ATOM 915 N ASP A 58 10.007 8.642 2.079 1.00 0.75 N ATOM 916 CA ASP A 58 9.495 9.619 2.990 1.00 0.78 C ATOM 917 C ASP A 58 8.915 9.190 4.293 1.00 0.77 C ATOM 918 O ASP A 58 9.126 9.800 5.341 1.00 0.86 O ATOM 919 CB ASP A 58 8.407 10.430 2.266 1.00 0.83 C ATOM 920 CG ASP A 58 9.043 11.098 1.054 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.908 11.957 1.374 1.00 1.86 O ATOM 922 OD2 ASP A 58 8.829 10.720 -0.128 1.00 1.90 O ATOM 0 H ASP A 58 9.626 8.750 1.139 1.00 0.75 H new ATOM 0 HA ASP A 58 10.397 10.161 3.274 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.589 9.779 1.956 1.00 0.83 H new ATOM 0 HB3 ASP A 58 7.982 11.179 2.934 1.00 0.83 H new ATOM 927 N TYR A 59 8.285 8.011 4.143 1.00 0.72 N ATOM 928 CA TYR A 59 7.638 7.307 5.206 1.00 0.73 C ATOM 929 C TYR A 59 8.505 6.308 5.894 1.00 0.76 C ATOM 930 O TYR A 59 8.177 5.709 6.917 1.00 0.89 O ATOM 931 CB TYR A 59 6.321 6.649 4.762 1.00 0.73 C ATOM 932 CG TYR A 59 5.216 7.588 4.423 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.526 8.196 5.445 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.933 7.838 3.101 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.663 9.223 5.138 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.040 8.839 2.797 1.00 0.70 C ATOM 937 CZ TYR A 59 3.501 9.581 3.821 1.00 0.74 C ATOM 938 OH TYR A 59 2.657 10.700 3.653 1.00 0.86 O ATOM 0 H TYR A 59 8.224 7.529 3.246 1.00 0.72 H new ATOM 0 HA TYR A 59 7.411 8.083 5.937 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.523 6.024 3.892 1.00 0.73 H new ATOM 0 HB3 TYR A 59 5.980 5.987 5.558 1.00 0.73 H new ATOM 0 HD1 TYR A 59 4.659 7.874 6.467 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.402 7.261 2.318 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.123 9.739 5.918 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.767 9.039 1.771 1.00 0.70 H new ATOM 0 HH TYR A 59 2.579 10.910 2.699 1.00 0.86 H new ATOM 948 N ASN A 60 9.731 6.078 5.392 1.00 0.74 N ATOM 949 CA ASN A 60 10.717 5.175 5.898 1.00 0.79 C ATOM 950 C ASN A 60 10.307 3.745 5.824 1.00 0.75 C ATOM 951 O ASN A 60 10.379 3.038 6.828 1.00 0.86 O ATOM 952 CB ASN A 60 11.283 5.599 7.264 1.00 0.95 C ATOM 953 CG ASN A 60 11.558 7.090 7.126 1.00 1.25 C ATOM 954 OD1 ASN A 60 10.867 8.031 7.515 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.745 7.301 6.497 1.00 1.83 N ATOM 0 H ASN A 60 10.059 6.568 4.559 1.00 0.74 H new ATOM 0 HA ASN A 60 11.561 5.250 5.213 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.572 5.401 8.066 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.194 5.049 7.503 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.077 8.253 6.340 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.303 6.508 6.182 1.00 1.83 H new ATOM 962 N ILE A 61 9.849 3.331 4.629 1.00 0.67 N ATOM 963 CA ILE A 61 9.448 1.979 4.388 1.00 0.65 C ATOM 964 C ILE A 61 10.582 1.176 3.850 1.00 0.66 C ATOM 965 O ILE A 61 11.209 1.411 2.818 1.00 0.75 O ATOM 966 CB ILE A 61 8.282 1.996 3.444 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.160 2.800 4.121 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.846 0.581 3.027 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.854 3.120 3.395 1.00 0.82 C ATOM 0 H ILE A 61 9.756 3.943 3.818 1.00 0.67 H new ATOM 0 HA ILE A 61 9.148 1.504 5.322 1.00 0.65 H new ATOM 0 HB ILE A 61 8.559 2.476 2.505 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.892 2.264 5.032 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.593 3.752 4.427 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.999 0.648 2.344 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.675 0.077 2.530 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.555 0.015 3.912 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.203 3.695 4.054 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.069 3.702 2.499 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.357 2.192 3.114 1.00 0.82 H new ATOM 981 N GLN A 62 11.061 0.304 4.754 1.00 0.67 N ATOM 982 CA GLN A 62 12.266 -0.408 4.463 1.00 0.70 C ATOM 983 C GLN A 62 11.853 -1.657 3.762 1.00 0.62 C ATOM 984 O GLN A 62 10.680 -2.026 3.734 1.00 0.64 O ATOM 985 CB GLN A 62 13.082 -0.728 5.728 1.00 0.85 C ATOM 986 CG GLN A 62 13.553 0.552 6.422 1.00 1.27 C ATOM 987 CD GLN A 62 14.499 0.244 7.573 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.714 0.424 7.513 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.941 -0.165 8.744 1.00 2.16 N ATOM 0 H GLN A 62 10.633 0.096 5.656 1.00 0.67 H new ATOM 0 HA GLN A 62 12.923 0.203 3.844 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.475 -1.316 6.417 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.945 -1.339 5.462 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.054 1.196 5.699 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.690 1.103 6.796 1.00 1.27 H new ATOM 0 HE21 GLN A 62 12.934 -0.317 8.803 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.529 -0.320 9.563 1.00 2.16 H new ATOM 998 N LYS A 63 12.844 -2.413 3.255 1.00 0.64 N ATOM 999 CA LYS A 63 12.814 -3.751 2.752 1.00 0.62 C ATOM 1000 C LYS A 63 11.635 -4.618 3.035 1.00 0.59 C ATOM 1001 O LYS A 63 10.745 -4.754 2.197 1.00 0.66 O ATOM 1002 CB LYS A 63 14.134 -4.486 3.036 1.00 0.74 C ATOM 1003 CG LYS A 63 15.196 -4.027 2.034 1.00 0.89 C ATOM 1004 CD LYS A 63 16.495 -4.825 2.165 1.00 1.11 C ATOM 1005 CE LYS A 63 17.281 -4.899 0.856 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.422 -5.384 -0.249 1.00 2.12 N ATOM 0 H LYS A 63 13.788 -2.031 3.192 1.00 0.64 H new ATOM 0 HA LYS A 63 12.684 -3.569 1.685 1.00 0.62 H new ATOM 0 HB2 LYS A 63 14.466 -4.281 4.054 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.987 -5.563 2.959 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.807 -4.132 1.021 1.00 0.89 H new ATOM 0 HG3 LYS A 63 15.405 -2.968 2.187 1.00 0.89 H new ATOM 0 HD2 LYS A 63 17.120 -4.369 2.933 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.263 -5.835 2.501 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.677 -3.914 0.609 1.00 1.47 H new ATOM 0 HE3 LYS A 63 18.135 -5.565 0.977 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.001 -5.912 -0.933 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.683 -6.008 0.134 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.978 -4.573 -0.725 1.00 2.12 H new ATOM 1020 N GLU A 64 11.534 -5.405 4.121 1.00 0.57 N ATOM 1021 CA GLU A 64 10.384 -6.214 4.383 1.00 0.58 C ATOM 1022 C GLU A 64 9.342 -5.548 5.214 1.00 0.56 C ATOM 1023 O GLU A 64 9.211 -5.684 6.430 1.00 0.70 O ATOM 1024 CB GLU A 64 10.849 -7.574 4.930 1.00 0.72 C ATOM 1025 CG GLU A 64 11.977 -7.485 5.960 1.00 0.96 C ATOM 1026 CD GLU A 64 12.257 -8.811 6.654 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.895 -9.884 6.100 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.022 -8.781 7.653 1.00 1.69 O ATOM 0 H GLU A 64 12.264 -5.481 4.830 1.00 0.57 H new ATOM 0 HA GLU A 64 9.859 -6.379 3.442 1.00 0.58 H new ATOM 0 HB2 GLU A 64 9.997 -8.081 5.384 1.00 0.72 H new ATOM 0 HB3 GLU A 64 11.181 -8.193 4.097 1.00 0.72 H new ATOM 0 HG2 GLU A 64 12.886 -7.141 5.466 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.719 -6.737 6.709 1.00 0.96 H new ATOM 1035 N SER A 65 8.570 -4.608 4.642 1.00 0.51 N ATOM 1036 CA SER A 65 7.491 -3.922 5.283 1.00 0.51 C ATOM 1037 C SER A 65 6.099 -4.432 5.131 1.00 0.43 C ATOM 1038 O SER A 65 5.674 -4.790 4.034 1.00 0.50 O ATOM 1039 CB SER A 65 7.420 -2.474 4.773 1.00 0.65 C ATOM 1040 OG SER A 65 8.525 -1.729 5.262 1.00 1.04 O ATOM 0 H SER A 65 8.707 -4.309 3.676 1.00 0.51 H new ATOM 0 HA SER A 65 7.759 -4.065 6.330 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.419 -2.464 3.683 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.488 -2.011 5.097 1.00 0.65 H new ATOM 0 HG SER A 65 9.347 -2.042 4.831 1.00 1.04 H new ATOM 1046 N THR A 66 5.330 -4.275 6.224 1.00 0.45 N ATOM 1047 CA THR A 66 3.983 -4.684 6.473 1.00 0.45 C ATOM 1048 C THR A 66 3.134 -3.472 6.297 1.00 0.43 C ATOM 1049 O THR A 66 3.219 -2.524 7.079 1.00 0.58 O ATOM 1050 CB THR A 66 3.831 -5.284 7.838 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.566 -6.482 8.034 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.379 -5.774 7.967 1.00 0.78 C ATOM 0 H THR A 66 5.710 -3.796 7.040 1.00 0.45 H new ATOM 0 HA THR A 66 3.679 -5.468 5.779 1.00 0.45 H new ATOM 0 HB THR A 66 4.160 -4.513 8.535 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.418 -6.811 8.945 1.00 0.79 H new ATOM 0 HG21 THR A 66 2.231 -6.218 8.951 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.698 -4.932 7.843 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.177 -6.520 7.198 1.00 0.78 H new ATOM 1060 N LEU A 67 2.332 -3.466 5.217 1.00 0.38 N ATOM 1061 CA LEU A 67 1.503 -2.345 4.903 1.00 0.38 C ATOM 1062 C LEU A 67 0.107 -2.785 5.183 1.00 0.37 C ATOM 1063 O LEU A 67 -0.251 -3.961 5.131 1.00 0.50 O ATOM 1064 CB LEU A 67 1.614 -1.887 3.440 1.00 0.46 C ATOM 1065 CG LEU A 67 2.720 -0.868 3.118 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.175 -1.341 3.279 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.672 -0.203 1.732 1.00 1.31 C ATOM 0 H LEU A 67 2.258 -4.242 4.559 1.00 0.38 H new ATOM 0 HA LEU A 67 1.815 -1.488 5.500 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.772 -2.768 2.818 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.657 -1.456 3.145 1.00 0.46 H new ATOM 0 HG LEU A 67 2.460 -0.153 3.899 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.853 -0.527 3.021 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.347 -1.643 4.312 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.357 -2.189 2.618 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.506 0.492 1.633 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.744 -0.968 0.959 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.733 0.339 1.621 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.847 -1.901 5.530 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.199 -2.272 5.813 1.00 0.37 C ATOM 1081 C HIS A 68 -3.117 -1.650 4.818 1.00 0.35 C ATOM 1082 O HIS A 68 -3.038 -0.447 4.569 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.430 -1.848 7.274 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.034 -2.801 8.363 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -2.381 -2.660 9.691 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.415 -4.011 8.357 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -2.065 -3.808 10.349 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.467 -4.683 9.562 1.00 1.51 N ATOM 0 H HIS A 68 -0.672 -0.900 5.616 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.400 -3.339 5.719 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -1.892 -0.914 7.438 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.491 -1.630 7.393 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -0.924 -4.413 7.483 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -2.278 -3.983 11.393 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.129 -5.619 9.787 1.00 1.51 H new ATOM 1096 N LEU A 69 -4.077 -2.379 4.223 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.891 -1.841 3.177 1.00 0.38 C ATOM 1098 C LEU A 69 -6.278 -1.589 3.659 1.00 0.41 C ATOM 1099 O LEU A 69 -6.918 -2.595 3.961 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.790 -2.890 2.057 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.527 -2.642 0.731 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.135 -1.282 0.129 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.275 -3.732 -0.324 1.00 1.14 C ATOM 0 H LEU A 69 -4.291 -3.346 4.467 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.566 -0.864 2.818 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.733 -3.023 1.826 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.149 -3.837 2.460 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.587 -2.659 0.985 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.670 -1.131 -0.808 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.395 -0.486 0.827 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.062 -1.263 -0.059 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.826 -3.492 -1.234 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.209 -3.782 -0.548 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.611 -4.695 0.060 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.771 -0.339 3.716 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.138 -0.091 4.054 1.00 0.56 C ATOM 1117 C VAL A 70 -8.788 0.431 2.819 1.00 0.55 C ATOM 1118 O VAL A 70 -8.246 1.108 1.946 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.273 0.893 5.179 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.789 0.251 6.491 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.579 2.248 4.963 1.00 0.97 C ATOM 0 H VAL A 70 -6.223 0.500 3.528 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.612 -1.009 4.402 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.336 1.131 5.226 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.889 0.968 7.306 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -8.392 -0.631 6.709 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.743 -0.040 6.390 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.739 2.882 5.835 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.510 2.091 4.820 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -7.995 2.733 4.080 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.079 0.077 2.689 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.876 0.355 1.534 1.00 0.84 C ATOM 1133 C LEU A 71 -11.641 1.625 1.680 1.00 0.85 C ATOM 1134 O LEU A 71 -12.466 1.726 2.588 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.903 -0.719 1.140 1.00 1.26 C ATOM 1136 CG LEU A 71 -12.352 -0.454 -0.306 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.289 -1.061 -1.238 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -13.552 -1.384 -0.550 1.00 2.78 C ATOM 0 H LEU A 71 -10.588 -0.423 3.418 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.121 0.404 0.749 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.464 -1.713 1.224 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.759 -0.691 1.814 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.536 0.608 -0.466 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.576 -0.891 -2.276 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.325 -0.590 -1.046 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.212 -2.132 -1.053 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -13.920 -1.244 -1.566 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -13.242 -2.420 -0.416 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -14.345 -1.148 0.159 1.00 2.78 H new