USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 563 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 55 THR OG1 : rot -96:sc= 0.861 USER MOD Set 1.2: A 57 SER OG : rot 47:sc= 0.83 USER MOD Set 2.1: A 7 THR OG1 : rot -170:sc= 0.292 USER MOD Set 2.2: A 9 THR OG1 : rot -56:sc= -0.119 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -131:sc= -0.779! (180deg=-1.11) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= -1.18! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -76:sc= 1.81 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0053 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+ 133:sc= -0.281 (180deg=-2.96!) USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= 1.15 (180deg=0.399) USER MOD Single : A 31 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00809 X(o=-0.0081,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.05 K(o=-1,f=-7!) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= -1.53 (180deg=-1.62) USER MOD Single : A 49 GLN : amide:sc= -0.673 K(o=-0.67,f=-4.1!) USER MOD Single : A 59 TYR OH : rot 180:sc=-0.00466 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -1.01! K(o=-1!,f=-0.0014) USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= -0.125 (180deg=-0.7) USER MOD Single : A 65 SER OG : rot -160:sc= -0.378 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=-0.04) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 75.291 -12.655 2.472 1.00 0.00 N ATOM 38 CA ILE A 3 74.328 -12.412 1.400 1.00 0.00 C ATOM 39 C ILE A 3 74.917 -11.419 0.401 1.00 0.00 C ATOM 40 O ILE A 3 75.900 -10.742 0.702 1.00 0.00 O ATOM 41 CB ILE A 3 73.040 -11.817 1.978 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.387 -10.684 2.944 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.254 -12.894 2.724 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.215 -9.706 3.014 1.00 0.00 C ATOM 0 HA ILE A 3 74.107 -13.358 0.905 1.00 0.00 H new ATOM 0 HB ILE A 3 72.431 -11.430 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.600 -11.087 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.287 -10.168 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.340 -12.461 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 3 71.999 -13.700 2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.862 -13.290 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.458 -8.896 3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 3 72.024 -9.295 2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.326 -10.228 3.368 1.00 0.00 H new ATOM 56 N PHE A 4 74.326 -11.351 -0.788 1.00 0.00 N ATOM 57 CA PHE A 4 74.823 -10.452 -1.827 1.00 0.00 C ATOM 58 C PHE A 4 73.871 -9.280 -2.058 1.00 0.00 C ATOM 59 O PHE A 4 72.656 -9.453 -2.098 1.00 0.00 O ATOM 60 CB PHE A 4 74.998 -11.232 -3.131 1.00 0.00 C ATOM 61 CG PHE A 4 76.072 -12.276 -2.947 1.00 0.00 C ATOM 62 CD1 PHE A 4 77.421 -11.901 -2.914 1.00 0.00 C ATOM 63 CD2 PHE A 4 75.716 -13.622 -2.799 1.00 0.00 C ATOM 64 CE1 PHE A 4 78.413 -12.872 -2.734 1.00 0.00 C ATOM 65 CE2 PHE A 4 76.708 -14.593 -2.618 1.00 0.00 C ATOM 66 CZ PHE A 4 78.057 -14.218 -2.586 1.00 0.00 C ATOM 0 H PHE A 4 73.510 -11.901 -1.056 1.00 0.00 H new ATOM 0 HA PHE A 4 75.780 -10.048 -1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 4 74.058 -11.706 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.269 -10.554 -3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 4 77.696 -10.863 -3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 4 74.676 -13.911 -2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 4 79.453 -12.583 -2.709 1.00 0.00 H new ATOM 0 HE2 PHE A 4 76.433 -15.631 -2.503 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.823 -14.967 -2.447 1.00 0.00 H new ATOM 76 N VAL A 5 74.444 -8.091 -2.223 1.00 0.00 N ATOM 77 CA VAL A 5 73.655 -6.888 -2.471 1.00 0.00 C ATOM 78 C VAL A 5 74.137 -6.205 -3.749 1.00 0.00 C ATOM 79 O VAL A 5 75.282 -5.767 -3.829 1.00 0.00 O ATOM 80 CB VAL A 5 73.777 -5.923 -1.289 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.854 -4.722 -1.508 1.00 0.00 C ATOM 82 CG2 VAL A 5 73.373 -6.647 -0.001 1.00 0.00 C ATOM 0 H VAL A 5 75.451 -7.935 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 5 72.609 -7.171 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 5 74.807 -5.577 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 5 72.943 -4.037 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.138 -4.207 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.823 -5.066 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.459 -5.963 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 5 72.342 -6.992 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 5 74.030 -7.502 0.157 1.00 0.00 H new ATOM 92 N LYS A 6 73.266 -6.123 -4.750 1.00 0.00 N ATOM 93 CA LYS A 6 73.636 -5.498 -6.017 1.00 0.00 C ATOM 94 C LYS A 6 73.157 -4.051 -6.074 1.00 0.00 C ATOM 95 O LYS A 6 72.006 -3.753 -5.758 1.00 0.00 O ATOM 96 CB LYS A 6 73.029 -6.277 -7.190 1.00 0.00 C ATOM 97 CG LYS A 6 73.650 -7.678 -7.281 1.00 0.00 C ATOM 98 CD LYS A 6 73.750 -8.097 -8.752 1.00 0.00 C ATOM 99 CE LYS A 6 74.375 -9.490 -8.848 1.00 0.00 C ATOM 100 NZ LYS A 6 75.733 -9.469 -8.236 1.00 0.00 N ATOM 0 H LYS A 6 72.310 -6.477 -4.711 1.00 0.00 H new ATOM 0 HA LYS A 6 74.723 -5.512 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.950 -6.358 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 6 73.199 -5.736 -8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 6 74.639 -7.680 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 6 73.042 -8.394 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 6 72.760 -8.100 -9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 6 74.354 -7.378 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 6 73.746 -10.219 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 6 74.439 -9.800 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 76.414 -9.912 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 76.017 -8.485 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 75.718 -9.995 -7.339 1.00 0.00 H new ATOM 114 N THR A 7 74.053 -3.158 -6.489 1.00 0.00 N ATOM 115 CA THR A 7 73.725 -1.742 -6.598 1.00 0.00 C ATOM 116 C THR A 7 73.601 -1.337 -8.065 1.00 0.00 C ATOM 117 O THR A 7 73.793 -2.157 -8.963 1.00 0.00 O ATOM 118 CB THR A 7 74.812 -0.901 -5.924 1.00 0.00 C ATOM 119 OG1 THR A 7 76.018 -1.002 -6.669 1.00 0.00 O ATOM 120 CG2 THR A 7 75.045 -1.410 -4.501 1.00 0.00 C ATOM 0 H THR A 7 75.010 -3.391 -6.754 1.00 0.00 H new ATOM 0 HA THR A 7 72.771 -1.567 -6.100 1.00 0.00 H new ATOM 0 HB THR A 7 74.494 0.141 -5.887 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.752 -0.598 -6.160 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.819 -0.810 -4.022 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.120 -1.331 -3.930 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.362 -2.452 -4.535 1.00 0.00 H new ATOM 128 N LEU A 8 73.280 -0.068 -8.299 1.00 0.00 N ATOM 129 CA LEU A 8 73.134 0.436 -9.660 1.00 0.00 C ATOM 130 C LEU A 8 74.444 0.302 -10.429 1.00 0.00 C ATOM 131 O LEU A 8 74.448 0.224 -11.659 1.00 0.00 O ATOM 132 CB LEU A 8 72.715 1.907 -9.622 1.00 0.00 C ATOM 133 CG LEU A 8 71.211 2.018 -9.341 1.00 0.00 C ATOM 134 CD1 LEU A 8 70.401 1.525 -10.546 1.00 0.00 C ATOM 135 CD2 LEU A 8 70.855 1.174 -8.116 1.00 0.00 C ATOM 0 H LEU A 8 73.117 0.626 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 8 72.369 -0.153 -10.166 1.00 0.00 H new ATOM 0 HB2 LEU A 8 73.277 2.434 -8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 8 72.952 2.386 -10.572 1.00 0.00 H new ATOM 0 HG LEU A 8 70.968 3.064 -9.155 1.00 0.00 H new ATOM 0 HD11 LEU A 8 69.336 1.611 -10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.643 2.130 -11.419 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.647 0.482 -10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 8 69.786 1.254 -7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 8 71.112 0.132 -8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 8 71.413 1.534 -7.251 1.00 0.00 H new ATOM 147 N THR A 9 75.554 0.279 -9.700 1.00 0.00 N ATOM 148 CA THR A 9 76.866 0.160 -10.327 1.00 0.00 C ATOM 149 C THR A 9 77.221 -1.305 -10.559 1.00 0.00 C ATOM 150 O THR A 9 78.336 -1.626 -10.973 1.00 0.00 O ATOM 151 CB THR A 9 77.928 0.810 -9.438 1.00 0.00 C ATOM 152 OG1 THR A 9 78.355 -0.121 -8.454 1.00 0.00 O ATOM 153 CG2 THR A 9 77.338 2.044 -8.755 1.00 0.00 C ATOM 0 H THR A 9 75.573 0.341 -8.682 1.00 0.00 H new ATOM 0 HA THR A 9 76.835 0.669 -11.290 1.00 0.00 H new ATOM 0 HB THR A 9 78.780 1.109 -10.049 1.00 0.00 H new ATOM 0 HG1 THR A 9 77.581 -0.432 -7.940 1.00 0.00 H new ATOM 0 HG21 THR A 9 78.095 2.506 -8.122 1.00 0.00 H new ATOM 0 HG22 THR A 9 77.012 2.758 -9.512 1.00 0.00 H new ATOM 0 HG23 THR A 9 76.485 1.749 -8.144 1.00 0.00 H new ATOM 161 N GLY A 10 76.268 -2.191 -10.289 1.00 0.00 N ATOM 162 CA GLY A 10 76.494 -3.620 -10.474 1.00 0.00 C ATOM 163 C GLY A 10 77.485 -4.150 -9.444 1.00 0.00 C ATOM 164 O GLY A 10 77.845 -5.327 -9.463 1.00 0.00 O ATOM 0 H GLY A 10 75.339 -1.948 -9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.549 -4.156 -10.386 1.00 0.00 H new ATOM 0 HA3 GLY A 10 76.873 -3.806 -11.479 1.00 0.00 H new ATOM 168 N LYS A 11 77.922 -3.272 -8.546 1.00 0.00 N ATOM 169 CA LYS A 11 78.871 -3.666 -7.512 1.00 0.00 C ATOM 170 C LYS A 11 78.183 -4.538 -6.468 1.00 0.00 C ATOM 171 O LYS A 11 77.338 -4.064 -5.709 1.00 0.00 O ATOM 172 CB LYS A 11 79.456 -2.422 -6.836 1.00 0.00 C ATOM 173 CG LYS A 11 80.580 -2.838 -5.885 1.00 0.00 C ATOM 174 CD LYS A 11 81.162 -1.593 -5.212 1.00 0.00 C ATOM 175 CE LYS A 11 82.233 -2.012 -4.202 1.00 0.00 C ATOM 176 NZ LYS A 11 83.405 -1.098 -4.312 1.00 0.00 N ATOM 0 H LYS A 11 77.637 -2.293 -8.513 1.00 0.00 H new ATOM 0 HA LYS A 11 79.675 -4.236 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.839 -1.732 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.677 -1.894 -6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.198 -3.527 -5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.359 -3.366 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 11 81.594 -0.930 -5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.372 -1.035 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 11 81.827 -1.980 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.542 -3.041 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 84.133 -1.383 -3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 83.797 -1.150 -5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 83.104 -0.122 -4.113 1.00 0.00 H new ATOM 190 N THR A 12 78.546 -5.815 -6.440 1.00 0.00 N ATOM 191 CA THR A 12 77.951 -6.745 -5.488 1.00 0.00 C ATOM 192 C THR A 12 78.669 -6.673 -4.145 1.00 0.00 C ATOM 193 O THR A 12 79.836 -7.049 -4.034 1.00 0.00 O ATOM 194 CB THR A 12 78.029 -8.173 -6.034 1.00 0.00 C ATOM 195 OG1 THR A 12 77.612 -8.183 -7.392 1.00 0.00 O ATOM 196 CG2 THR A 12 77.120 -9.088 -5.210 1.00 0.00 C ATOM 0 H THR A 12 79.243 -6.227 -7.060 1.00 0.00 H new ATOM 0 HA THR A 12 76.907 -6.467 -5.343 1.00 0.00 H new ATOM 0 HB THR A 12 79.056 -8.532 -5.967 1.00 0.00 H new ATOM 0 HG1 THR A 12 78.188 -8.786 -7.907 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.177 -10.104 -5.600 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.443 -9.080 -4.169 1.00 0.00 H new ATOM 0 HG23 THR A 12 76.092 -8.732 -5.273 1.00 0.00 H new ATOM 204 N ILE A 13 77.964 -6.193 -3.124 1.00 0.00 N ATOM 205 CA ILE A 13 78.550 -6.086 -1.792 1.00 0.00 C ATOM 206 C ILE A 13 78.165 -7.291 -0.944 1.00 0.00 C ATOM 207 O ILE A 13 76.986 -7.535 -0.695 1.00 0.00 O ATOM 208 CB ILE A 13 78.070 -4.811 -1.089 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.363 -3.898 -2.098 1.00 0.00 C ATOM 210 CG2 ILE A 13 79.267 -4.074 -0.479 1.00 0.00 C ATOM 211 CD1 ILE A 13 77.127 -2.524 -1.470 1.00 0.00 C ATOM 0 H ILE A 13 76.997 -5.875 -3.192 1.00 0.00 H new ATOM 0 HA ILE A 13 79.633 -6.049 -1.907 1.00 0.00 H new ATOM 0 HB ILE A 13 77.372 -5.081 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.968 -3.798 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.413 -4.339 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.921 -3.168 0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.762 -4.721 0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.971 -3.808 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.624 -1.877 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.504 -2.632 -0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 13 78.084 -2.082 -1.191 1.00 0.00 H new ATOM 223 N THR A 14 79.167 -8.035 -0.493 1.00 0.00 N ATOM 224 CA THR A 14 78.916 -9.204 0.340 1.00 0.00 C ATOM 225 C THR A 14 79.049 -8.828 1.811 1.00 0.00 C ATOM 226 O THR A 14 80.043 -8.226 2.218 1.00 0.00 O ATOM 227 CB THR A 14 79.913 -10.314 -0.002 1.00 0.00 C ATOM 228 OG1 THR A 14 79.771 -10.670 -1.371 1.00 0.00 O ATOM 229 CG2 THR A 14 79.641 -11.535 0.875 1.00 0.00 C ATOM 0 H THR A 14 80.152 -7.853 -0.687 1.00 0.00 H new ATOM 0 HA THR A 14 77.904 -9.564 0.151 1.00 0.00 H new ATOM 0 HB THR A 14 80.928 -9.960 0.179 1.00 0.00 H new ATOM 0 HG1 THR A 14 78.967 -11.219 -1.485 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.352 -12.324 0.630 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.750 -11.261 1.924 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.627 -11.892 0.697 1.00 0.00 H new ATOM 237 N LEU A 15 78.041 -9.174 2.604 1.00 0.00 N ATOM 238 CA LEU A 15 78.058 -8.850 4.027 1.00 0.00 C ATOM 239 C LEU A 15 77.497 -10.004 4.847 1.00 0.00 C ATOM 240 O LEU A 15 76.713 -10.808 4.346 1.00 0.00 O ATOM 241 CB LEU A 15 77.211 -7.596 4.313 1.00 0.00 C ATOM 242 CG LEU A 15 77.154 -6.669 3.091 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.128 -5.563 3.350 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.527 -6.036 2.856 1.00 0.00 C ATOM 0 H LEU A 15 77.209 -9.674 2.290 1.00 0.00 H new ATOM 0 HA LEU A 15 79.095 -8.665 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.201 -7.894 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.632 -7.057 5.162 1.00 0.00 H new ATOM 0 HG LEU A 15 76.868 -7.246 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 15 76.082 -4.900 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.148 -6.008 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.423 -4.992 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.481 -5.379 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.816 -5.458 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.264 -6.820 2.679 1.00 0.00 H new ATOM 256 N GLU A 16 77.878 -10.056 6.119 1.00 0.00 N ATOM 257 CA GLU A 16 77.383 -11.096 7.013 1.00 0.00 C ATOM 258 C GLU A 16 76.176 -10.558 7.770 1.00 0.00 C ATOM 259 O GLU A 16 76.240 -9.475 8.352 1.00 0.00 O ATOM 260 CB GLU A 16 78.475 -11.511 8.001 1.00 0.00 C ATOM 261 CG GLU A 16 77.879 -12.436 9.063 1.00 0.00 C ATOM 262 CD GLU A 16 78.915 -13.465 9.501 1.00 0.00 C ATOM 263 OE1 GLU A 16 79.701 -13.148 10.378 1.00 0.00 O ATOM 264 OE2 GLU A 16 78.905 -14.555 8.955 1.00 0.00 O ATOM 0 H GLU A 16 78.523 -9.395 6.552 1.00 0.00 H new ATOM 0 HA GLU A 16 77.096 -11.971 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 16 79.283 -12.018 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.907 -10.629 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 16 77.549 -11.852 9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 16 76.999 -12.941 8.664 1.00 0.00 H new ATOM 271 N VAL A 17 75.069 -11.291 7.730 1.00 0.00 N ATOM 272 CA VAL A 17 73.853 -10.833 8.392 1.00 0.00 C ATOM 273 C VAL A 17 73.127 -11.961 9.123 1.00 0.00 C ATOM 274 O VAL A 17 73.144 -13.115 8.695 1.00 0.00 O ATOM 275 CB VAL A 17 72.916 -10.228 7.347 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.674 -9.203 6.503 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.378 -11.336 6.439 1.00 0.00 C ATOM 0 H VAL A 17 74.988 -12.190 7.255 1.00 0.00 H new ATOM 0 HA VAL A 17 74.141 -10.091 9.137 1.00 0.00 H new ATOM 0 HB VAL A 17 72.086 -9.735 7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 17 73.001 -8.775 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 17 74.054 -8.411 7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.508 -9.692 5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.710 -10.904 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 17 73.209 -11.831 5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.831 -12.064 7.038 1.00 0.00 H new ATOM 287 N GLU A 18 72.470 -11.596 10.223 1.00 0.00 N ATOM 288 CA GLU A 18 71.703 -12.550 11.022 1.00 0.00 C ATOM 289 C GLU A 18 70.210 -12.202 10.930 1.00 0.00 C ATOM 290 O GLU A 18 69.860 -11.034 10.833 1.00 0.00 O ATOM 291 CB GLU A 18 72.155 -12.493 12.483 1.00 0.00 C ATOM 292 CG GLU A 18 73.665 -12.733 12.561 1.00 0.00 C ATOM 293 CD GLU A 18 74.124 -12.693 14.014 1.00 0.00 C ATOM 294 OE1 GLU A 18 74.556 -11.638 14.449 1.00 0.00 O ATOM 295 OE2 GLU A 18 74.037 -13.717 14.672 1.00 0.00 O ATOM 0 H GLU A 18 72.454 -10.642 10.582 1.00 0.00 H new ATOM 0 HA GLU A 18 71.870 -13.557 10.639 1.00 0.00 H new ATOM 0 HB2 GLU A 18 71.908 -11.523 12.913 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.626 -13.245 13.068 1.00 0.00 H new ATOM 0 HG2 GLU A 18 73.912 -13.699 12.119 1.00 0.00 H new ATOM 0 HG3 GLU A 18 74.193 -11.974 11.983 1.00 0.00 H new ATOM 302 N PRO A 19 69.332 -13.173 10.941 1.00 0.00 N ATOM 303 CA PRO A 19 67.866 -12.938 10.829 1.00 0.00 C ATOM 304 C PRO A 19 67.386 -11.602 11.419 1.00 0.00 C ATOM 305 O PRO A 19 66.504 -10.972 10.850 1.00 0.00 O ATOM 306 CB PRO A 19 67.277 -14.123 11.587 1.00 0.00 C ATOM 307 CG PRO A 19 68.258 -15.240 11.405 1.00 0.00 C ATOM 308 CD PRO A 19 69.619 -14.609 11.075 1.00 0.00 C ATOM 0 HA PRO A 19 67.554 -12.866 9.787 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.143 -13.886 12.643 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.297 -14.393 11.194 1.00 0.00 H new ATOM 0 HG2 PRO A 19 68.324 -15.843 12.310 1.00 0.00 H new ATOM 0 HG3 PRO A 19 67.938 -15.904 10.602 1.00 0.00 H new ATOM 0 HD2 PRO A 19 70.346 -14.797 11.865 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.035 -15.019 10.155 1.00 0.00 H new ATOM 316 N SER A 20 67.945 -11.172 12.552 1.00 0.00 N ATOM 317 CA SER A 20 67.501 -9.907 13.163 1.00 0.00 C ATOM 318 C SER A 20 68.123 -8.706 12.447 1.00 0.00 C ATOM 319 O SER A 20 68.090 -7.574 12.929 1.00 0.00 O ATOM 320 CB SER A 20 67.873 -9.875 14.645 1.00 0.00 C ATOM 321 OG SER A 20 69.242 -10.225 14.795 1.00 0.00 O ATOM 0 H SER A 20 68.685 -11.660 13.057 1.00 0.00 H new ATOM 0 HA SER A 20 66.417 -9.847 13.064 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.693 -8.881 15.055 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.245 -10.569 15.204 1.00 0.00 H new ATOM 0 HG SER A 20 69.483 -10.203 15.745 1.00 0.00 H new ATOM 327 N ASP A 21 68.647 -8.991 11.277 1.00 0.00 N ATOM 328 CA ASP A 21 69.264 -8.011 10.389 1.00 0.00 C ATOM 329 C ASP A 21 68.198 -7.310 9.591 1.00 0.00 C ATOM 330 O ASP A 21 68.236 -7.280 8.361 1.00 0.00 O ATOM 331 CB ASP A 21 70.285 -8.632 9.467 1.00 0.00 C ATOM 332 CG ASP A 21 71.597 -8.834 10.217 1.00 0.00 C ATOM 333 OD1 ASP A 21 72.606 -8.322 9.757 1.00 0.00 O ATOM 334 OD2 ASP A 21 71.574 -9.490 11.245 1.00 0.00 O ATOM 0 H ASP A 21 68.660 -9.938 10.898 1.00 0.00 H new ATOM 0 HA ASP A 21 69.795 -7.290 11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.918 -9.588 9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.445 -7.990 8.601 1.00 0.00 H new ATOM 339 N THR A 22 67.183 -6.866 10.286 1.00 0.00 N ATOM 340 CA THR A 22 66.026 -6.305 9.618 1.00 0.00 C ATOM 341 C THR A 22 66.391 -5.046 8.864 1.00 0.00 C ATOM 342 O THR A 22 67.272 -4.294 9.257 1.00 0.00 O ATOM 343 CB THR A 22 64.992 -5.896 10.671 1.00 0.00 C ATOM 344 OG1 THR A 22 65.118 -4.503 10.924 1.00 0.00 O ATOM 345 CG2 THR A 22 65.246 -6.666 11.961 1.00 0.00 C ATOM 0 H THR A 22 67.129 -6.879 11.304 1.00 0.00 H new ATOM 0 HA THR A 22 65.640 -7.058 8.931 1.00 0.00 H new ATOM 0 HB THR A 22 63.989 -6.120 10.308 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.459 -4.232 11.596 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.510 -6.374 12.710 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.164 -7.736 11.768 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.247 -6.440 12.329 1.00 0.00 H new ATOM 353 N ILE A 23 65.702 -4.881 7.739 1.00 0.00 N ATOM 354 CA ILE A 23 65.908 -3.763 6.829 1.00 0.00 C ATOM 355 C ILE A 23 66.476 -2.547 7.554 1.00 0.00 C ATOM 356 O ILE A 23 67.376 -1.878 7.047 1.00 0.00 O ATOM 357 CB ILE A 23 64.573 -3.410 6.180 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.743 -4.688 5.949 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.799 -2.696 4.850 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.572 -5.761 5.222 1.00 0.00 C ATOM 0 H ILE A 23 64.977 -5.529 7.431 1.00 0.00 H new ATOM 0 HA ILE A 23 66.633 -4.056 6.070 1.00 0.00 H new ATOM 0 HB ILE A 23 64.029 -2.744 6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.396 -5.078 6.906 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.856 -4.449 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.837 -2.451 4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.363 -1.779 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.358 -3.347 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 23 63.962 -6.652 5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.897 -5.377 4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.445 -6.016 5.823 1.00 0.00 H new ATOM 372 N GLU A 24 65.957 -2.274 8.744 1.00 0.00 N ATOM 373 CA GLU A 24 66.435 -1.143 9.528 1.00 0.00 C ATOM 374 C GLU A 24 67.912 -1.333 9.878 1.00 0.00 C ATOM 375 O GLU A 24 68.733 -0.443 9.659 1.00 0.00 O ATOM 376 CB GLU A 24 65.598 -1.010 10.804 1.00 0.00 C ATOM 377 CG GLU A 24 66.020 0.249 11.564 1.00 0.00 C ATOM 378 CD GLU A 24 65.183 0.399 12.830 1.00 0.00 C ATOM 379 OE1 GLU A 24 63.967 0.359 12.721 1.00 0.00 O ATOM 380 OE2 GLU A 24 65.769 0.556 13.888 1.00 0.00 O ATOM 0 H GLU A 24 65.212 -2.814 9.184 1.00 0.00 H new ATOM 0 HA GLU A 24 66.333 -0.230 8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.539 -0.958 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.733 -1.890 11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 24 67.077 0.191 11.822 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.895 1.126 10.929 1.00 0.00 H new ATOM 387 N ASN A 25 68.239 -2.509 10.405 1.00 0.00 N ATOM 388 CA ASN A 25 69.615 -2.833 10.768 1.00 0.00 C ATOM 389 C ASN A 25 70.468 -3.023 9.516 1.00 0.00 C ATOM 390 O ASN A 25 71.598 -2.539 9.444 1.00 0.00 O ATOM 391 CB ASN A 25 69.645 -4.121 11.597 1.00 0.00 C ATOM 392 CG ASN A 25 70.220 -3.833 12.979 1.00 0.00 C ATOM 393 OD1 ASN A 25 69.541 -3.250 13.824 1.00 0.00 O ATOM 394 ND2 ASN A 25 71.443 -4.197 13.259 1.00 0.00 N ATOM 0 H ASN A 25 67.569 -3.255 10.591 1.00 0.00 H new ATOM 0 HA ASN A 25 70.020 -2.008 11.354 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.638 -4.528 11.690 1.00 0.00 H new ATOM 0 HB3 ASN A 25 70.248 -4.875 11.092 1.00 0.00 H new ATOM 0 HD21 ASN A 25 71.836 -3.998 14.179 1.00 0.00 H new ATOM 0 HD22 ASN A 25 72.005 -4.680 12.558 1.00 0.00 H new ATOM 401 N ALA A 26 69.921 -3.737 8.538 1.00 0.00 N ATOM 402 CA ALA A 26 70.638 -3.996 7.294 1.00 0.00 C ATOM 403 C ALA A 26 70.991 -2.690 6.590 1.00 0.00 C ATOM 404 O ALA A 26 72.089 -2.540 6.052 1.00 0.00 O ATOM 405 CB ALA A 26 69.783 -4.861 6.368 1.00 0.00 C ATOM 0 H ALA A 26 68.987 -4.145 8.582 1.00 0.00 H new ATOM 0 HA ALA A 26 71.561 -4.523 7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.326 -5.049 5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.561 -5.809 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.851 -4.342 6.143 1.00 0.00 H new ATOM 411 N LYS A 27 70.054 -1.748 6.594 1.00 0.00 N ATOM 412 CA LYS A 27 70.280 -0.460 5.951 1.00 0.00 C ATOM 413 C LYS A 27 71.468 0.252 6.592 1.00 0.00 C ATOM 414 O LYS A 27 72.197 0.988 5.927 1.00 0.00 O ATOM 415 CB LYS A 27 69.032 0.415 6.083 1.00 0.00 C ATOM 416 CG LYS A 27 68.042 0.071 4.969 1.00 0.00 C ATOM 417 CD LYS A 27 66.645 0.558 5.363 1.00 0.00 C ATOM 418 CE LYS A 27 65.834 0.866 4.103 1.00 0.00 C ATOM 419 NZ LYS A 27 66.044 2.289 3.716 1.00 0.00 N ATOM 0 H LYS A 27 69.138 -1.851 7.032 1.00 0.00 H new ATOM 0 HA LYS A 27 70.494 -0.632 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.568 0.259 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.307 1.468 6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.352 0.539 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 27 68.029 -1.005 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.138 -0.202 5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.722 1.450 5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.140 0.207 3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.775 0.679 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 66.242 2.346 2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 65.188 2.838 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 66.849 2.678 4.247 1.00 0.00 H new ATOM 433 N ALA A 28 71.653 0.026 7.888 1.00 0.00 N ATOM 434 CA ALA A 28 72.754 0.649 8.614 1.00 0.00 C ATOM 435 C ALA A 28 74.091 0.068 8.166 1.00 0.00 C ATOM 436 O ALA A 28 75.091 0.781 8.078 1.00 0.00 O ATOM 437 CB ALA A 28 72.576 0.428 10.118 1.00 0.00 C ATOM 0 H ALA A 28 71.059 -0.580 8.454 1.00 0.00 H new ATOM 0 HA ALA A 28 72.748 1.718 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.401 0.896 10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.635 0.872 10.442 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.565 -0.641 10.330 1.00 0.00 H new ATOM 443 N LYS A 29 74.103 -1.232 7.887 1.00 0.00 N ATOM 444 CA LYS A 29 75.326 -1.899 7.453 1.00 0.00 C ATOM 445 C LYS A 29 75.810 -1.330 6.121 1.00 0.00 C ATOM 446 O LYS A 29 77.002 -1.090 5.937 1.00 0.00 O ATOM 447 CB LYS A 29 75.075 -3.401 7.306 1.00 0.00 C ATOM 448 CG LYS A 29 75.591 -4.129 8.549 1.00 0.00 C ATOM 449 CD LYS A 29 75.096 -5.577 8.537 1.00 0.00 C ATOM 450 CE LYS A 29 75.874 -6.390 9.572 1.00 0.00 C ATOM 451 NZ LYS A 29 74.927 -7.248 10.344 1.00 0.00 N ATOM 0 H LYS A 29 73.287 -1.840 7.953 1.00 0.00 H new ATOM 0 HA LYS A 29 76.095 -1.728 8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.010 -3.591 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.577 -3.779 6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.681 -4.106 8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 29 75.244 -3.623 9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.030 -5.610 8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.228 -6.009 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.622 -7.009 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.410 -5.722 10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.410 -8.122 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 74.601 -6.734 11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.110 -7.487 9.747 1.00 0.00 H new ATOM 465 N ILE A 30 74.879 -1.118 5.197 1.00 0.00 N ATOM 466 CA ILE A 30 75.228 -0.577 3.888 1.00 0.00 C ATOM 467 C ILE A 30 75.665 0.878 4.012 1.00 0.00 C ATOM 468 O ILE A 30 76.591 1.318 3.333 1.00 0.00 O ATOM 469 CB ILE A 30 74.033 -0.681 2.942 1.00 0.00 C ATOM 470 CG1 ILE A 30 74.011 -2.079 2.322 1.00 0.00 C ATOM 471 CG2 ILE A 30 74.158 0.365 1.829 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.595 -2.408 1.858 1.00 0.00 C ATOM 0 H ILE A 30 73.886 -1.310 5.328 1.00 0.00 H new ATOM 0 HA ILE A 30 76.056 -1.158 3.483 1.00 0.00 H new ATOM 0 HB ILE A 30 73.112 -0.504 3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.701 -2.126 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.347 -2.817 3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.303 0.286 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.183 1.362 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 30 75.077 0.192 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.579 -3.404 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.917 -2.378 2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.276 -1.677 1.115 1.00 0.00 H new ATOM 484 N GLN A 31 74.989 1.618 4.886 1.00 0.00 N ATOM 485 CA GLN A 31 75.316 3.022 5.091 1.00 0.00 C ATOM 486 C GLN A 31 76.776 3.176 5.500 1.00 0.00 C ATOM 487 O GLN A 31 77.489 4.030 4.981 1.00 0.00 O ATOM 488 CB GLN A 31 74.415 3.616 6.175 1.00 0.00 C ATOM 489 CG GLN A 31 75.022 4.926 6.681 1.00 0.00 C ATOM 490 CD GLN A 31 73.945 5.778 7.344 1.00 0.00 C ATOM 491 OE1 GLN A 31 73.091 5.255 8.062 1.00 0.00 O ATOM 492 NE2 GLN A 31 73.934 7.067 7.147 1.00 0.00 N ATOM 0 H GLN A 31 74.219 1.271 5.458 1.00 0.00 H new ATOM 0 HA GLN A 31 75.154 3.554 4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.417 3.796 5.775 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.306 2.911 6.999 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.820 4.715 7.393 1.00 0.00 H new ATOM 0 HG3 GLN A 31 75.471 5.473 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 31 74.642 7.498 6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 31 73.218 7.644 7.588 1.00 0.00 H new ATOM 501 N ASP A 32 77.215 2.343 6.435 1.00 0.00 N ATOM 502 CA ASP A 32 78.594 2.402 6.904 1.00 0.00 C ATOM 503 C ASP A 32 79.564 2.024 5.789 1.00 0.00 C ATOM 504 O ASP A 32 80.763 2.287 5.883 1.00 0.00 O ATOM 505 CB ASP A 32 78.782 1.451 8.089 1.00 0.00 C ATOM 506 CG ASP A 32 79.552 2.153 9.201 1.00 0.00 C ATOM 507 OD1 ASP A 32 79.011 2.271 10.288 1.00 0.00 O ATOM 508 OD2 ASP A 32 80.672 2.567 8.949 1.00 0.00 O ATOM 0 H ASP A 32 76.643 1.625 6.880 1.00 0.00 H new ATOM 0 HA ASP A 32 78.805 3.425 7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 32 77.811 1.121 8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.321 0.559 7.769 1.00 0.00 H new ATOM 513 N LYS A 33 79.043 1.394 4.739 1.00 0.00 N ATOM 514 CA LYS A 33 79.884 0.974 3.622 1.00 0.00 C ATOM 515 C LYS A 33 79.854 1.987 2.478 1.00 0.00 C ATOM 516 O LYS A 33 80.889 2.283 1.881 1.00 0.00 O ATOM 517 CB LYS A 33 79.414 -0.386 3.102 1.00 0.00 C ATOM 518 CG LYS A 33 79.762 -1.472 4.121 1.00 0.00 C ATOM 519 CD LYS A 33 80.956 -2.283 3.614 1.00 0.00 C ATOM 520 CE LYS A 33 81.324 -3.353 4.644 1.00 0.00 C ATOM 521 NZ LYS A 33 82.392 -2.828 5.543 1.00 0.00 N ATOM 0 H LYS A 33 78.054 1.165 4.638 1.00 0.00 H new ATOM 0 HA LYS A 33 80.908 0.904 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.338 -0.368 2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.889 -0.605 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.999 -1.020 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.905 -2.126 4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.712 -2.751 2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.807 -1.625 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.446 -3.629 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.669 -4.256 4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.644 -3.554 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 83.232 -2.585 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 82.046 -1.978 6.033 1.00 0.00 H new ATOM 535 N GLU A 34 78.666 2.500 2.162 1.00 0.00 N ATOM 536 CA GLU A 34 78.530 3.460 1.064 1.00 0.00 C ATOM 537 C GLU A 34 78.359 4.887 1.580 1.00 0.00 C ATOM 538 O GLU A 34 78.661 5.846 0.869 1.00 0.00 O ATOM 539 CB GLU A 34 77.326 3.083 0.200 1.00 0.00 C ATOM 540 CG GLU A 34 77.574 1.725 -0.460 1.00 0.00 C ATOM 541 CD GLU A 34 76.480 1.435 -1.481 1.00 0.00 C ATOM 542 OE1 GLU A 34 76.187 2.317 -2.272 1.00 0.00 O ATOM 543 OE2 GLU A 34 75.950 0.336 -1.458 1.00 0.00 O ATOM 0 H GLU A 34 77.795 2.273 2.641 1.00 0.00 H new ATOM 0 HA GLU A 34 79.444 3.423 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.425 3.042 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 34 77.160 3.844 -0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 34 78.549 1.721 -0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 34 77.593 0.941 0.297 1.00 0.00 H new ATOM 550 N GLY A 35 77.871 5.029 2.807 1.00 0.00 N ATOM 551 CA GLY A 35 77.670 6.357 3.380 1.00 0.00 C ATOM 552 C GLY A 35 76.335 6.946 2.935 1.00 0.00 C ATOM 553 O GLY A 35 76.190 8.162 2.818 1.00 0.00 O ATOM 0 H GLY A 35 77.610 4.255 3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.701 6.296 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.483 7.016 3.074 1.00 0.00 H new ATOM 557 N ILE A 36 75.362 6.073 2.684 1.00 0.00 N ATOM 558 CA ILE A 36 74.042 6.518 2.249 1.00 0.00 C ATOM 559 C ILE A 36 73.046 6.448 3.418 1.00 0.00 C ATOM 560 O ILE A 36 72.997 5.435 4.117 1.00 0.00 O ATOM 561 CB ILE A 36 73.551 5.622 1.107 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.631 5.540 0.026 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.275 6.212 0.505 1.00 0.00 C ATOM 564 CD1 ILE A 36 74.172 4.592 -1.083 1.00 0.00 C ATOM 0 H ILE A 36 75.462 5.062 2.774 1.00 0.00 H new ATOM 0 HA ILE A 36 74.112 7.549 1.904 1.00 0.00 H new ATOM 0 HB ILE A 36 73.342 4.624 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.825 6.531 -0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.567 5.185 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.927 5.574 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.505 6.274 1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.483 7.210 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.941 4.533 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 36 74.000 3.600 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.247 4.966 -1.522 1.00 0.00 H new ATOM 576 N PRO A 37 72.256 7.476 3.656 1.00 0.00 N ATOM 577 CA PRO A 37 71.268 7.466 4.778 1.00 0.00 C ATOM 578 C PRO A 37 70.056 6.569 4.474 1.00 0.00 C ATOM 579 O PRO A 37 69.539 6.597 3.358 1.00 0.00 O ATOM 580 CB PRO A 37 70.838 8.929 4.892 1.00 0.00 C ATOM 581 CG PRO A 37 71.036 9.505 3.531 1.00 0.00 C ATOM 582 CD PRO A 37 72.207 8.748 2.906 1.00 0.00 C ATOM 0 HA PRO A 37 71.697 7.066 5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.797 9.010 5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 37 71.436 9.458 5.634 1.00 0.00 H new ATOM 0 HG2 PRO A 37 70.135 9.393 2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 37 71.250 10.572 3.589 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.048 8.577 1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.139 9.305 3.004 1.00 0.00 H new ATOM 590 N PRO A 38 69.588 5.781 5.423 1.00 0.00 N ATOM 591 CA PRO A 38 68.411 4.888 5.203 1.00 0.00 C ATOM 592 C PRO A 38 67.283 5.584 4.441 1.00 0.00 C ATOM 593 O PRO A 38 66.474 4.932 3.780 1.00 0.00 O ATOM 594 CB PRO A 38 67.955 4.537 6.619 1.00 0.00 C ATOM 595 CG PRO A 38 69.169 4.656 7.478 1.00 0.00 C ATOM 596 CD PRO A 38 70.116 5.644 6.795 1.00 0.00 C ATOM 0 HA PRO A 38 68.672 4.021 4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.170 5.214 6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.545 3.528 6.659 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.901 5.007 8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.650 3.685 7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.128 6.603 7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.140 5.272 6.790 1.00 0.00 H new ATOM 604 N ASP A 39 67.227 6.907 4.553 1.00 0.00 N ATOM 605 CA ASP A 39 66.185 7.684 3.888 1.00 0.00 C ATOM 606 C ASP A 39 66.301 7.598 2.368 1.00 0.00 C ATOM 607 O ASP A 39 65.311 7.766 1.657 1.00 0.00 O ATOM 608 CB ASP A 39 66.279 9.149 4.319 1.00 0.00 C ATOM 609 CG ASP A 39 65.084 9.516 5.193 1.00 0.00 C ATOM 610 OD1 ASP A 39 64.544 10.594 4.998 1.00 0.00 O ATOM 611 OD2 ASP A 39 64.727 8.719 6.045 1.00 0.00 O ATOM 0 H ASP A 39 67.888 7.463 5.096 1.00 0.00 H new ATOM 0 HA ASP A 39 65.222 7.266 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 39 67.206 9.316 4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 39 66.308 9.793 3.440 1.00 0.00 H new ATOM 616 N GLN A 40 67.511 7.348 1.875 1.00 0.00 N ATOM 617 CA GLN A 40 67.738 7.257 0.434 1.00 0.00 C ATOM 618 C GLN A 40 68.049 5.824 0.013 1.00 0.00 C ATOM 619 O GLN A 40 68.449 5.579 -1.126 1.00 0.00 O ATOM 620 CB GLN A 40 68.904 8.165 0.036 1.00 0.00 C ATOM 621 CG GLN A 40 68.415 9.612 -0.063 1.00 0.00 C ATOM 622 CD GLN A 40 69.581 10.534 -0.401 1.00 0.00 C ATOM 623 OE1 GLN A 40 69.836 11.503 0.314 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.313 10.287 -1.454 1.00 0.00 N ATOM 0 H GLN A 40 68.344 7.206 2.446 1.00 0.00 H new ATOM 0 HA GLN A 40 66.827 7.576 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.704 8.090 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.319 7.844 -0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 40 67.643 9.692 -0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 40 67.961 9.917 0.880 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.101 9.484 -2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.097 10.897 -1.685 1.00 0.00 H new ATOM 633 N GLN A 41 67.866 4.882 0.933 1.00 0.00 N ATOM 634 CA GLN A 41 68.137 3.476 0.639 1.00 0.00 C ATOM 635 C GLN A 41 66.839 2.692 0.481 1.00 0.00 C ATOM 636 O GLN A 41 65.963 2.739 1.344 1.00 0.00 O ATOM 637 CB GLN A 41 68.971 2.862 1.763 1.00 0.00 C ATOM 638 CG GLN A 41 70.236 3.695 1.969 1.00 0.00 C ATOM 639 CD GLN A 41 71.443 2.780 2.134 1.00 0.00 C ATOM 640 OE1 GLN A 41 71.953 2.242 1.151 1.00 0.00 O ATOM 641 NE2 GLN A 41 71.938 2.574 3.324 1.00 0.00 N ATOM 0 H GLN A 41 67.534 5.062 1.881 1.00 0.00 H new ATOM 0 HA GLN A 41 68.690 3.424 -0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.390 2.828 2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.235 1.834 1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.387 4.359 1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.125 4.327 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 41 71.514 3.021 4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 41 72.749 1.966 3.441 1.00 0.00 H new ATOM 650 N ARG A 42 66.728 1.969 -0.628 1.00 0.00 N ATOM 651 CA ARG A 42 65.538 1.167 -0.899 1.00 0.00 C ATOM 652 C ARG A 42 65.937 -0.240 -1.334 1.00 0.00 C ATOM 653 O ARG A 42 66.501 -0.427 -2.412 1.00 0.00 O ATOM 654 CB ARG A 42 64.702 1.824 -1.996 1.00 0.00 C ATOM 655 CG ARG A 42 63.234 1.857 -1.572 1.00 0.00 C ATOM 656 CD ARG A 42 62.364 2.198 -2.780 1.00 0.00 C ATOM 657 NE ARG A 42 61.105 2.792 -2.342 1.00 0.00 N ATOM 658 CZ ARG A 42 60.150 3.102 -3.211 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.032 3.631 -2.791 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.326 2.878 -4.484 1.00 0.00 N ATOM 0 H ARG A 42 67.444 1.921 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 42 64.947 1.103 0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.060 2.837 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 42 64.809 1.271 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 42 62.941 0.891 -1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.088 2.597 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 42 62.893 2.891 -3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.167 1.297 -3.361 1.00 0.00 H new ATOM 0 HE ARG A 42 60.956 2.973 -1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 42 58.893 3.806 -1.796 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.298 3.869 -3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.198 2.464 -4.813 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.591 3.117 -5.150 1.00 0.00 H new ATOM 674 N LEU A 43 65.648 -1.225 -0.490 1.00 0.00 N ATOM 675 CA LEU A 43 65.989 -2.608 -0.807 1.00 0.00 C ATOM 676 C LEU A 43 64.804 -3.325 -1.446 1.00 0.00 C ATOM 677 O LEU A 43 63.702 -3.329 -0.898 1.00 0.00 O ATOM 678 CB LEU A 43 66.413 -3.347 0.464 1.00 0.00 C ATOM 679 CG LEU A 43 67.762 -2.808 0.943 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.846 -2.925 2.466 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.894 -3.622 0.309 1.00 0.00 C ATOM 0 H LEU A 43 65.184 -1.095 0.409 1.00 0.00 H new ATOM 0 HA LEU A 43 66.816 -2.602 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.660 -3.216 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.486 -4.417 0.268 1.00 0.00 H new ATOM 0 HG LEU A 43 67.858 -1.762 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.807 -2.541 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 43 67.042 -2.346 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 43 67.749 -3.971 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.855 -3.237 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 43 68.798 -4.668 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.836 -3.541 -0.776 1.00 0.00 H new ATOM 693 N ILE A 44 65.046 -3.931 -2.604 1.00 0.00 N ATOM 694 CA ILE A 44 64.002 -4.656 -3.321 1.00 0.00 C ATOM 695 C ILE A 44 64.405 -6.116 -3.505 1.00 0.00 C ATOM 696 O ILE A 44 65.554 -6.416 -3.830 1.00 0.00 O ATOM 697 CB ILE A 44 63.766 -4.010 -4.695 1.00 0.00 C ATOM 698 CG1 ILE A 44 62.771 -2.850 -4.561 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.193 -5.048 -5.665 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.340 -1.776 -3.630 1.00 0.00 C ATOM 0 H ILE A 44 65.955 -3.935 -3.066 1.00 0.00 H new ATOM 0 HA ILE A 44 63.082 -4.612 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 44 64.716 -3.636 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 44 62.566 -2.421 -5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 44 61.823 -3.217 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.028 -4.585 -6.638 1.00 0.00 H new ATOM 0 HG22 ILE A 44 63.896 -5.874 -5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.247 -5.425 -5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.627 -0.957 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.522 -2.207 -2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.277 -1.399 -4.040 1.00 0.00 H new ATOM 712 N PHE A 45 63.454 -7.021 -3.294 1.00 0.00 N ATOM 713 CA PHE A 45 63.724 -8.446 -3.442 1.00 0.00 C ATOM 714 C PHE A 45 62.481 -9.178 -3.937 1.00 0.00 C ATOM 715 O PHE A 45 61.369 -8.914 -3.477 1.00 0.00 O ATOM 716 CB PHE A 45 64.166 -9.041 -2.102 1.00 0.00 C ATOM 717 CG PHE A 45 64.541 -10.490 -2.294 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.633 -11.500 -1.950 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.794 -10.826 -2.817 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.980 -12.843 -2.129 1.00 0.00 C ATOM 721 CE2 PHE A 45 66.141 -12.171 -2.997 1.00 0.00 C ATOM 722 CZ PHE A 45 65.235 -13.180 -2.654 1.00 0.00 C ATOM 0 H PHE A 45 62.497 -6.795 -3.022 1.00 0.00 H new ATOM 0 HA PHE A 45 64.523 -8.568 -4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 45 65.015 -8.484 -1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.362 -8.956 -1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.665 -11.242 -1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.494 -10.048 -3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 45 63.280 -13.621 -1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 45 67.109 -12.429 -3.401 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.502 -14.217 -2.794 1.00 0.00 H new ATOM 732 N ALA A 46 62.673 -10.093 -4.881 1.00 0.00 N ATOM 733 CA ALA A 46 61.560 -10.854 -5.434 1.00 0.00 C ATOM 734 C ALA A 46 60.557 -9.922 -6.106 1.00 0.00 C ATOM 735 O ALA A 46 59.379 -10.253 -6.242 1.00 0.00 O ATOM 736 CB ALA A 46 60.861 -11.642 -4.323 1.00 0.00 C ATOM 0 H ALA A 46 63.584 -10.325 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 46 61.953 -11.547 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.031 -12.208 -4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.571 -12.329 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.483 -10.951 -3.569 1.00 0.00 H new ATOM 742 N GLY A 47 61.033 -8.753 -6.527 1.00 0.00 N ATOM 743 CA GLY A 47 60.168 -7.780 -7.185 1.00 0.00 C ATOM 744 C GLY A 47 59.308 -7.039 -6.166 1.00 0.00 C ATOM 745 O GLY A 47 58.552 -6.135 -6.521 1.00 0.00 O ATOM 0 H GLY A 47 62.004 -8.459 -6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 47 60.775 -7.066 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.528 -8.286 -7.907 1.00 0.00 H new ATOM 749 N LYS A 48 59.430 -7.429 -4.902 1.00 0.00 N ATOM 750 CA LYS A 48 58.658 -6.795 -3.838 1.00 0.00 C ATOM 751 C LYS A 48 59.534 -5.842 -3.033 1.00 0.00 C ATOM 752 O LYS A 48 60.711 -6.112 -2.801 1.00 0.00 O ATOM 753 CB LYS A 48 58.075 -7.862 -2.909 1.00 0.00 C ATOM 754 CG LYS A 48 56.563 -7.958 -3.124 1.00 0.00 C ATOM 755 CD LYS A 48 56.014 -9.166 -2.365 1.00 0.00 C ATOM 756 CE LYS A 48 55.857 -10.346 -3.327 1.00 0.00 C ATOM 757 NZ LYS A 48 57.097 -10.493 -4.138 1.00 0.00 N ATOM 0 H LYS A 48 60.051 -8.175 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 48 57.847 -6.227 -4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 48 58.543 -8.826 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.290 -7.611 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 48 56.077 -7.046 -2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 48 56.342 -8.052 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.688 -9.434 -1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.052 -8.920 -1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 48 55.665 -11.262 -2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 48 54.999 -10.185 -3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 57.011 -11.325 -4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 57.234 -9.642 -4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 57.913 -10.615 -3.505 1.00 0.00 H new ATOM 771 N GLN A 49 58.949 -4.727 -2.607 1.00 0.00 N ATOM 772 CA GLN A 49 59.683 -3.739 -1.825 1.00 0.00 C ATOM 773 C GLN A 49 59.653 -4.103 -0.343 1.00 0.00 C ATOM 774 O GLN A 49 58.598 -4.427 0.202 1.00 0.00 O ATOM 775 CB GLN A 49 59.069 -2.354 -2.025 1.00 0.00 C ATOM 776 CG GLN A 49 59.891 -1.313 -1.261 1.00 0.00 C ATOM 777 CD GLN A 49 59.458 0.091 -1.666 1.00 0.00 C ATOM 778 OE1 GLN A 49 59.302 0.376 -2.853 1.00 0.00 O ATOM 779 NE2 GLN A 49 59.253 0.993 -0.744 1.00 0.00 N ATOM 0 H GLN A 49 57.975 -4.486 -2.789 1.00 0.00 H new ATOM 0 HA GLN A 49 60.719 -3.728 -2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.045 -2.106 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.038 -2.348 -1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 49 59.758 -1.448 -0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.952 -1.450 -1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 49 59.383 0.756 0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 49 58.963 1.935 -1.007 1.00 0.00 H new ATOM 788 N LEU A 50 60.813 -4.048 0.301 1.00 0.00 N ATOM 789 CA LEU A 50 60.900 -4.376 1.720 1.00 0.00 C ATOM 790 C LEU A 50 60.674 -3.133 2.574 1.00 0.00 C ATOM 791 O LEU A 50 61.343 -2.113 2.395 1.00 0.00 O ATOM 792 CB LEU A 50 62.273 -4.975 2.038 1.00 0.00 C ATOM 793 CG LEU A 50 62.699 -5.916 0.909 1.00 0.00 C ATOM 794 CD1 LEU A 50 63.978 -6.653 1.314 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.588 -6.935 0.646 1.00 0.00 C ATOM 0 H LEU A 50 61.698 -3.782 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 50 60.125 -5.106 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 50 63.008 -4.180 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.234 -5.518 2.982 1.00 0.00 H new ATOM 0 HG LEU A 50 62.883 -5.336 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.282 -7.323 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.771 -5.929 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.793 -7.232 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.892 -7.605 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.404 -7.514 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.676 -6.413 0.358 1.00 0.00 H new ATOM 807 N GLU A 51 59.732 -3.225 3.506 1.00 0.00 N ATOM 808 CA GLU A 51 59.426 -2.104 4.389 1.00 0.00 C ATOM 809 C GLU A 51 60.242 -2.201 5.671 1.00 0.00 C ATOM 810 O GLU A 51 60.634 -3.291 6.088 1.00 0.00 O ATOM 811 CB GLU A 51 57.935 -2.097 4.732 1.00 0.00 C ATOM 812 CG GLU A 51 57.179 -1.249 3.707 1.00 0.00 C ATOM 813 CD GLU A 51 55.677 -1.431 3.888 1.00 0.00 C ATOM 814 OE1 GLU A 51 54.994 -0.435 4.058 1.00 0.00 O ATOM 815 OE2 GLU A 51 55.230 -2.567 3.854 1.00 0.00 O ATOM 0 H GLU A 51 59.169 -4.060 3.670 1.00 0.00 H new ATOM 0 HA GLU A 51 59.682 -1.179 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.547 -3.116 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.783 -1.696 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 51 57.443 -0.198 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.470 -1.539 2.697 1.00 0.00 H new ATOM 822 N ASP A 52 60.498 -1.056 6.292 1.00 0.00 N ATOM 823 CA ASP A 52 61.271 -1.029 7.521 1.00 0.00 C ATOM 824 C ASP A 52 60.448 -1.587 8.679 1.00 0.00 C ATOM 825 O ASP A 52 59.426 -1.014 9.059 1.00 0.00 O ATOM 826 CB ASP A 52 61.700 0.403 7.837 1.00 0.00 C ATOM 827 CG ASP A 52 61.010 1.380 6.890 1.00 0.00 C ATOM 828 OD1 ASP A 52 61.688 2.253 6.374 1.00 0.00 O ATOM 829 OD2 ASP A 52 59.816 1.236 6.690 1.00 0.00 O ATOM 0 H ASP A 52 60.183 -0.142 5.966 1.00 0.00 H new ATOM 0 HA ASP A 52 62.157 -1.649 7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.448 0.646 8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.782 0.496 7.742 1.00 0.00 H new ATOM 834 N GLY A 53 60.899 -2.707 9.237 1.00 0.00 N ATOM 835 CA GLY A 53 60.194 -3.332 10.352 1.00 0.00 C ATOM 836 C GLY A 53 60.234 -4.853 10.242 1.00 0.00 C ATOM 837 O GLY A 53 60.322 -5.554 11.250 1.00 0.00 O ATOM 0 H GLY A 53 61.742 -3.197 8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.646 -3.020 11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 53 59.158 -2.992 10.368 1.00 0.00 H new ATOM 841 N ARG A 54 60.175 -5.357 9.014 1.00 0.00 N ATOM 842 CA ARG A 54 60.211 -6.798 8.788 1.00 0.00 C ATOM 843 C ARG A 54 61.652 -7.289 8.821 1.00 0.00 C ATOM 844 O ARG A 54 62.570 -6.537 8.506 1.00 0.00 O ATOM 845 CB ARG A 54 59.591 -7.137 7.433 1.00 0.00 C ATOM 846 CG ARG A 54 58.478 -6.138 7.110 1.00 0.00 C ATOM 847 CD ARG A 54 57.477 -6.103 8.265 1.00 0.00 C ATOM 848 NE ARG A 54 56.143 -5.792 7.764 1.00 0.00 N ATOM 849 CZ ARG A 54 55.065 -5.974 8.519 1.00 0.00 C ATOM 850 NH1 ARG A 54 53.883 -5.680 8.050 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.186 -6.445 9.730 1.00 0.00 N ATOM 0 H ARG A 54 60.103 -4.795 8.166 1.00 0.00 H new ATOM 0 HA ARG A 54 59.639 -7.289 9.575 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.355 -7.109 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.190 -8.150 7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.900 -5.146 6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 54 57.975 -6.423 6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.466 -7.066 8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.782 -5.356 8.998 1.00 0.00 H new ATOM 0 HE ARG A 54 56.036 -5.428 6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.787 -5.311 7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.055 -5.820 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.109 -6.674 10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.357 -6.584 10.308 1.00 0.00 H new ATOM 865 N THR A 55 61.847 -8.544 9.214 1.00 0.00 N ATOM 866 CA THR A 55 63.193 -9.097 9.290 1.00 0.00 C ATOM 867 C THR A 55 63.505 -10.004 8.113 1.00 0.00 C ATOM 868 O THR A 55 62.610 -10.420 7.377 1.00 0.00 O ATOM 869 CB THR A 55 63.377 -9.846 10.605 1.00 0.00 C ATOM 870 OG1 THR A 55 62.556 -11.004 10.622 1.00 0.00 O ATOM 871 CG2 THR A 55 62.990 -8.917 11.746 1.00 0.00 C ATOM 0 H THR A 55 61.102 -9.188 9.481 1.00 0.00 H new ATOM 0 HA THR A 55 63.895 -8.264 9.249 1.00 0.00 H new ATOM 0 HB THR A 55 64.416 -10.158 10.715 1.00 0.00 H new ATOM 0 HG1 THR A 55 61.719 -10.804 11.090 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.115 -9.436 12.696 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.628 -8.033 11.728 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.949 -8.615 11.632 1.00 0.00 H new ATOM 879 N LEU A 56 64.792 -10.296 7.934 1.00 0.00 N ATOM 880 CA LEU A 56 65.216 -11.145 6.835 1.00 0.00 C ATOM 881 C LEU A 56 64.485 -12.479 6.911 1.00 0.00 C ATOM 882 O LEU A 56 64.147 -13.077 5.888 1.00 0.00 O ATOM 883 CB LEU A 56 66.731 -11.412 6.903 1.00 0.00 C ATOM 884 CG LEU A 56 67.540 -10.147 6.575 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.032 -10.466 6.682 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.246 -9.685 5.148 1.00 0.00 C ATOM 0 H LEU A 56 65.547 -9.959 8.531 1.00 0.00 H new ATOM 0 HA LEU A 56 64.983 -10.635 5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.995 -11.766 7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 56 66.994 -12.205 6.203 1.00 0.00 H new ATOM 0 HG LEU A 56 67.263 -9.360 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.613 -9.573 6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.262 -10.796 7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.286 -11.257 5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.826 -8.788 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.519 -10.474 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.183 -9.463 5.049 1.00 0.00 H new ATOM 898 N SER A 57 64.249 -12.941 8.137 1.00 0.00 N ATOM 899 CA SER A 57 63.561 -14.211 8.349 1.00 0.00 C ATOM 900 C SER A 57 62.082 -14.102 7.984 1.00 0.00 C ATOM 901 O SER A 57 61.461 -15.083 7.576 1.00 0.00 O ATOM 902 CB SER A 57 63.694 -14.634 9.812 1.00 0.00 C ATOM 903 OG SER A 57 63.834 -13.477 10.625 1.00 0.00 O ATOM 0 H SER A 57 64.522 -12.458 8.993 1.00 0.00 H new ATOM 0 HA SER A 57 64.023 -14.959 7.704 1.00 0.00 H new ATOM 0 HB2 SER A 57 62.817 -15.204 10.119 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.558 -15.287 9.937 1.00 0.00 H new ATOM 0 HG SER A 57 63.164 -12.811 10.364 1.00 0.00 H new ATOM 909 N ASP A 58 61.521 -12.907 8.138 1.00 0.00 N ATOM 910 CA ASP A 58 60.110 -12.690 7.826 1.00 0.00 C ATOM 911 C ASP A 58 59.879 -12.690 6.319 1.00 0.00 C ATOM 912 O ASP A 58 58.845 -13.158 5.842 1.00 0.00 O ATOM 913 CB ASP A 58 59.643 -11.357 8.410 1.00 0.00 C ATOM 914 CG ASP A 58 59.800 -11.370 9.927 1.00 0.00 C ATOM 915 OD1 ASP A 58 59.542 -12.405 10.520 1.00 0.00 O ATOM 916 OD2 ASP A 58 60.171 -10.345 10.474 1.00 0.00 O ATOM 0 H ASP A 58 62.015 -12.080 8.474 1.00 0.00 H new ATOM 0 HA ASP A 58 59.537 -13.505 8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.224 -10.540 7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.601 -11.180 8.145 1.00 0.00 H new ATOM 921 N TYR A 59 60.845 -12.167 5.573 1.00 0.00 N ATOM 922 CA TYR A 59 60.728 -12.118 4.122 1.00 0.00 C ATOM 923 C TYR A 59 61.224 -13.422 3.510 1.00 0.00 C ATOM 924 O TYR A 59 61.196 -13.603 2.293 1.00 0.00 O ATOM 925 CB TYR A 59 61.539 -10.943 3.564 1.00 0.00 C ATOM 926 CG TYR A 59 60.628 -9.756 3.342 1.00 0.00 C ATOM 927 CD1 TYR A 59 60.820 -8.577 4.070 1.00 0.00 C ATOM 928 CD2 TYR A 59 59.593 -9.837 2.402 1.00 0.00 C ATOM 929 CE1 TYR A 59 59.978 -7.478 3.860 1.00 0.00 C ATOM 930 CE2 TYR A 59 58.751 -8.739 2.193 1.00 0.00 C ATOM 931 CZ TYR A 59 58.943 -7.559 2.921 1.00 0.00 C ATOM 932 OH TYR A 59 58.113 -6.477 2.714 1.00 0.00 O ATOM 0 H TYR A 59 61.710 -11.775 5.945 1.00 0.00 H new ATOM 0 HA TYR A 59 59.678 -11.980 3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.337 -10.677 4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.015 -11.229 2.626 1.00 0.00 H new ATOM 0 HD1 TYR A 59 61.618 -8.514 4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 59 59.445 -10.746 1.839 1.00 0.00 H new ATOM 0 HE1 TYR A 59 60.127 -6.568 4.422 1.00 0.00 H new ATOM 0 HE2 TYR A 59 57.952 -8.802 1.469 1.00 0.00 H new ATOM 0 HH TYR A 59 57.449 -6.700 2.029 1.00 0.00 H new ATOM 942 N ASN A 60 61.673 -14.328 4.370 1.00 0.00 N ATOM 943 CA ASN A 60 62.170 -15.621 3.919 1.00 0.00 C ATOM 944 C ASN A 60 63.511 -15.472 3.208 1.00 0.00 C ATOM 945 O ASN A 60 63.998 -16.416 2.585 1.00 0.00 O ATOM 946 CB ASN A 60 61.157 -16.268 2.972 1.00 0.00 C ATOM 947 CG ASN A 60 61.084 -17.769 3.234 1.00 0.00 C ATOM 948 OD1 ASN A 60 60.294 -18.216 4.065 1.00 0.00 O ATOM 949 ND2 ASN A 60 61.863 -18.576 2.568 1.00 0.00 N ATOM 0 H ASN A 60 61.703 -14.192 5.380 1.00 0.00 H new ATOM 0 HA ASN A 60 62.310 -16.256 4.794 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.175 -15.817 3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.445 -16.085 1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 60 61.819 -19.581 2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 60 62.516 -18.202 1.880 1.00 0.00 H new ATOM 956 N ILE A 61 64.107 -14.288 3.303 1.00 0.00 N ATOM 957 CA ILE A 61 65.394 -14.048 2.662 1.00 0.00 C ATOM 958 C ILE A 61 66.417 -15.073 3.138 1.00 0.00 C ATOM 959 O ILE A 61 66.415 -15.468 4.305 1.00 0.00 O ATOM 960 CB ILE A 61 65.875 -12.626 2.964 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.140 -11.659 2.028 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.384 -12.530 2.717 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.209 -10.228 2.565 1.00 0.00 C ATOM 0 H ILE A 61 63.726 -13.490 3.811 1.00 0.00 H new ATOM 0 HA ILE A 61 65.278 -14.152 1.583 1.00 0.00 H new ATOM 0 HB ILE A 61 65.669 -12.373 4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.583 -11.701 1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.099 -11.965 1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.724 -11.517 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.905 -13.234 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.598 -12.771 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.681 -9.559 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.744 -10.186 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.251 -9.918 2.643 1.00 0.00 H new ATOM 975 N GLN A 62 67.275 -15.517 2.226 1.00 0.00 N ATOM 976 CA GLN A 62 68.282 -16.515 2.565 1.00 0.00 C ATOM 977 C GLN A 62 69.574 -15.854 3.026 1.00 0.00 C ATOM 978 O GLN A 62 69.658 -14.631 3.131 1.00 0.00 O ATOM 979 CB GLN A 62 68.568 -17.402 1.352 1.00 0.00 C ATOM 980 CG GLN A 62 67.256 -17.975 0.815 1.00 0.00 C ATOM 981 CD GLN A 62 67.542 -19.169 -0.090 1.00 0.00 C ATOM 982 OE1 GLN A 62 66.639 -19.947 -0.399 1.00 0.00 O ATOM 983 NE2 GLN A 62 68.754 -19.361 -0.537 1.00 0.00 N ATOM 0 H GLN A 62 67.294 -15.205 1.255 1.00 0.00 H new ATOM 0 HA GLN A 62 67.893 -17.124 3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.069 -16.823 0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.243 -18.211 1.631 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.617 -18.280 1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.715 -17.209 0.260 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.501 -18.715 -0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 62 68.954 -20.157 -1.143 1.00 0.00 H new ATOM 992 N LYS A 63 70.575 -16.679 3.307 1.00 0.00 N ATOM 993 CA LYS A 63 71.864 -16.179 3.767 1.00 0.00 C ATOM 994 C LYS A 63 72.807 -15.948 2.602 1.00 0.00 C ATOM 995 O LYS A 63 73.893 -15.419 2.786 1.00 0.00 O ATOM 996 CB LYS A 63 72.492 -17.180 4.734 1.00 0.00 C ATOM 997 CG LYS A 63 72.584 -18.553 4.064 1.00 0.00 C ATOM 998 CD LYS A 63 71.857 -19.590 4.923 1.00 0.00 C ATOM 999 CE LYS A 63 72.075 -20.985 4.333 1.00 0.00 C ATOM 1000 NZ LYS A 63 73.524 -21.332 4.400 1.00 0.00 N ATOM 0 H LYS A 63 70.519 -17.694 3.225 1.00 0.00 H new ATOM 0 HA LYS A 63 71.697 -15.228 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.485 -16.841 5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.894 -17.247 5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.141 -18.514 3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.628 -18.838 3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 63 72.229 -19.555 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 63 70.792 -19.363 4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 63 71.488 -21.720 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 63 71.731 -21.012 3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 73.636 -22.365 4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 74.022 -20.900 3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 73.926 -20.973 5.290 1.00 0.00 H new ATOM 1014 N GLU A 64 72.380 -16.347 1.414 1.00 0.00 N ATOM 1015 CA GLU A 64 73.178 -16.178 0.214 1.00 0.00 C ATOM 1016 C GLU A 64 72.378 -15.444 -0.859 1.00 0.00 C ATOM 1017 O GLU A 64 72.897 -15.125 -1.928 1.00 0.00 O ATOM 1018 CB GLU A 64 73.631 -17.541 -0.311 1.00 0.00 C ATOM 1019 CG GLU A 64 75.070 -17.799 0.133 1.00 0.00 C ATOM 1020 CD GLU A 64 75.513 -19.195 -0.293 1.00 0.00 C ATOM 1021 OE1 GLU A 64 76.664 -19.525 -0.062 1.00 0.00 O ATOM 1022 OE2 GLU A 64 74.694 -19.915 -0.843 1.00 0.00 O ATOM 0 H GLU A 64 71.477 -16.794 1.257 1.00 0.00 H new ATOM 0 HA GLU A 64 74.057 -15.583 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.975 -18.326 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.564 -17.566 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.732 -17.051 -0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.147 -17.700 1.216 1.00 0.00 H new ATOM 1029 N SER A 65 71.102 -15.205 -0.573 1.00 0.00 N ATOM 1030 CA SER A 65 70.220 -14.529 -1.521 1.00 0.00 C ATOM 1031 C SER A 65 70.827 -13.220 -2.016 1.00 0.00 C ATOM 1032 O SER A 65 71.665 -12.616 -1.348 1.00 0.00 O ATOM 1033 CB SER A 65 68.871 -14.244 -0.862 1.00 0.00 C ATOM 1034 OG SER A 65 68.033 -15.385 -0.989 1.00 0.00 O ATOM 0 H SER A 65 70.655 -15.468 0.305 1.00 0.00 H new ATOM 0 HA SER A 65 70.085 -15.189 -2.378 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.013 -13.999 0.191 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.400 -13.380 -1.330 1.00 0.00 H new ATOM 0 HG SER A 65 67.098 -15.119 -0.867 1.00 0.00 H new ATOM 1040 N THR A 66 70.380 -12.785 -3.192 1.00 0.00 N ATOM 1041 CA THR A 66 70.863 -11.541 -3.779 1.00 0.00 C ATOM 1042 C THR A 66 69.828 -10.435 -3.584 1.00 0.00 C ATOM 1043 O THR A 66 68.643 -10.634 -3.852 1.00 0.00 O ATOM 1044 CB THR A 66 71.131 -11.734 -5.273 1.00 0.00 C ATOM 1045 OG1 THR A 66 72.279 -12.554 -5.444 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.366 -10.375 -5.932 1.00 0.00 C ATOM 0 H THR A 66 69.685 -13.276 -3.755 1.00 0.00 H new ATOM 0 HA THR A 66 71.791 -11.257 -3.283 1.00 0.00 H new ATOM 0 HB THR A 66 70.270 -12.214 -5.738 1.00 0.00 H new ATOM 0 HG1 THR A 66 72.451 -12.680 -6.400 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.557 -10.515 -6.996 1.00 0.00 H new ATOM 0 HG22 THR A 66 70.483 -9.749 -5.801 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.226 -9.890 -5.470 1.00 0.00 H new ATOM 1054 N LEU A 67 70.280 -9.277 -3.111 1.00 0.00 N ATOM 1055 CA LEU A 67 69.379 -8.150 -2.876 1.00 0.00 C ATOM 1056 C LEU A 67 69.631 -7.031 -3.882 1.00 0.00 C ATOM 1057 O LEU A 67 70.750 -6.850 -4.358 1.00 0.00 O ATOM 1058 CB LEU A 67 69.581 -7.610 -1.459 1.00 0.00 C ATOM 1059 CG LEU A 67 68.977 -8.587 -0.448 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.942 -8.773 0.725 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.652 -8.026 0.069 1.00 0.00 C ATOM 0 H LEU A 67 71.257 -9.094 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 67 68.355 -8.504 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.644 -7.474 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 67 69.110 -6.632 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 67 68.804 -9.549 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 67 69.510 -9.469 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.888 -9.170 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 67 70.116 -7.812 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 67 67.219 -8.720 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.828 -7.065 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.963 -7.893 -0.765 1.00 0.00 H new ATOM 1073 N HIS A 68 68.576 -6.280 -4.191 1.00 0.00 N ATOM 1074 CA HIS A 68 68.681 -5.171 -5.133 1.00 0.00 C ATOM 1075 C HIS A 68 68.556 -3.841 -4.397 1.00 0.00 C ATOM 1076 O HIS A 68 67.561 -3.589 -3.716 1.00 0.00 O ATOM 1077 CB HIS A 68 67.582 -5.278 -6.192 1.00 0.00 C ATOM 1078 CG HIS A 68 67.865 -6.451 -7.091 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.458 -7.738 -6.776 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.515 -6.547 -8.295 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.864 -8.546 -7.771 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.514 -7.872 -8.724 1.00 0.00 N ATOM 0 H HIS A 68 67.643 -6.419 -3.804 1.00 0.00 H new ATOM 0 HA HIS A 68 69.655 -5.218 -5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.611 -5.399 -5.713 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.536 -4.360 -6.778 1.00 0.00 H new ATOM 0 HD2 HIS A 68 68.960 -5.721 -8.829 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.686 -9.611 -7.797 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.921 -8.247 -9.581 1.00 0.00 H new ATOM 1090 N LEU A 69 69.573 -2.997 -4.530 1.00 0.00 N ATOM 1091 CA LEU A 69 69.569 -1.699 -3.863 1.00 0.00 C ATOM 1092 C LEU A 69 69.138 -0.599 -4.827 1.00 0.00 C ATOM 1093 O LEU A 69 69.776 -0.378 -5.858 1.00 0.00 O ATOM 1094 CB LEU A 69 70.967 -1.398 -3.311 1.00 0.00 C ATOM 1095 CG LEU A 69 70.919 -0.209 -2.338 1.00 0.00 C ATOM 1096 CD1 LEU A 69 72.251 -0.108 -1.596 1.00 0.00 C ATOM 1097 CD2 LEU A 69 70.665 1.102 -3.092 1.00 0.00 C ATOM 0 H LEU A 69 70.405 -3.185 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 69 68.855 -1.731 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.360 -2.277 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 69 71.648 -1.176 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 69 70.105 -0.372 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 69 72.220 0.735 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 69 72.428 -1.028 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 69 73.057 0.041 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 69 70.635 1.929 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 69 71.467 1.269 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 69 69.712 1.040 -3.618 1.00 0.00 H new ATOM 1109 N VAL A 70 68.055 0.091 -4.475 1.00 0.00 N ATOM 1110 CA VAL A 70 67.541 1.177 -5.300 1.00 0.00 C ATOM 1111 C VAL A 70 67.424 2.458 -4.479 1.00 0.00 C ATOM 1112 O VAL A 70 67.129 2.414 -3.285 1.00 0.00 O ATOM 1113 CB VAL A 70 66.172 0.805 -5.870 1.00 0.00 C ATOM 1114 CG1 VAL A 70 65.885 1.649 -7.110 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.163 -0.678 -6.249 1.00 0.00 C ATOM 0 H VAL A 70 67.519 -0.084 -3.625 1.00 0.00 H new ATOM 0 HA VAL A 70 68.237 1.344 -6.122 1.00 0.00 H new ATOM 0 HB VAL A 70 65.405 0.994 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 70 64.909 1.382 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 70 65.889 2.705 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 70 66.652 1.463 -7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.187 -0.944 -6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 70 66.932 -0.867 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.364 -1.281 -5.363 1.00 0.00 H new ATOM 1125 N LEU A 71 67.666 3.595 -5.124 1.00 0.00 N ATOM 1126 CA LEU A 71 67.593 4.880 -4.437 1.00 0.00 C ATOM 1127 C LEU A 71 66.261 5.569 -4.716 1.00 0.00 C ATOM 1128 O LEU A 71 65.889 5.785 -5.869 1.00 0.00 O ATOM 1129 CB LEU A 71 68.739 5.786 -4.897 1.00 0.00 C ATOM 1130 CG LEU A 71 70.051 4.998 -4.893 1.00 0.00 C ATOM 1131 CD1 LEU A 71 71.190 5.899 -5.376 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.354 4.517 -3.473 1.00 0.00 C ATOM 0 H LEU A 71 67.912 3.653 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 71 67.677 4.698 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 71 68.535 6.167 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 71 68.820 6.650 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 71 69.958 4.139 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.124 5.338 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 71 70.977 6.244 -6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 71 71.281 6.758 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.288 3.956 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 71 70.445 5.377 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.544 3.875 -3.126 1.00 0.00 H new