USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 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 18 THR OG1 : rot -130:sc= -0.939 USER MOD Set 1.2: A 21 MET CE :methyl 176:sc= -0.0652 (180deg=-0.0856) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.893 K(o=-0.89,f=-2.1!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 14 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.35) USER MOD Single : A 15 THR OG1 : rot 93:sc= -0.654 USER MOD Single : A 22 MET CE :methyl -145:sc= -2.23 (180deg=-4.48!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -122:sc= -4.23! (180deg=-5.16!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 46 ASN : amide:sc= -4.02 X(o=-4,f=-3.6!) USER MOD Single : A 53 THR OG1 : rot 107:sc= 1.15 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 166:sc= -0.26 (180deg=-0.513) USER MOD Single : A 59 MET CE :methyl 157:sc= -0.0143 (180deg=-0.789) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.47 USER MOD ----------------------------------------------------------------- ATOM 32 N ALA A 3 -9.440 -9.033 -3.618 1.00 0.00 N ATOM 33 CA ALA A 3 -8.860 -8.188 -2.577 1.00 0.00 C ATOM 34 C ALA A 3 -7.723 -7.347 -3.147 1.00 0.00 C ATOM 35 O ALA A 3 -6.835 -7.858 -3.831 1.00 0.00 O ATOM 36 CB ALA A 3 -8.319 -9.045 -1.431 1.00 0.00 C ATOM 0 HA ALA A 3 -9.645 -7.532 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.891 -8.399 -0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.131 -9.631 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.549 -9.717 -1.811 1.00 0.00 H new ATOM 42 N SER A 4 -7.761 -6.049 -2.859 1.00 0.00 N ATOM 43 CA SER A 4 -6.728 -5.139 -3.348 1.00 0.00 C ATOM 44 C SER A 4 -5.630 -4.968 -2.302 1.00 0.00 C ATOM 45 O SER A 4 -5.638 -5.624 -1.260 1.00 0.00 O ATOM 46 CB SER A 4 -7.329 -3.771 -3.668 1.00 0.00 C ATOM 47 OG SER A 4 -8.482 -3.944 -4.481 1.00 0.00 O ATOM 0 H SER A 4 -8.487 -5.607 -2.296 1.00 0.00 H new ATOM 0 HA SER A 4 -6.302 -5.569 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.594 -3.253 -2.746 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.596 -3.150 -4.183 1.00 0.00 H new ATOM 0 HG SER A 4 -8.871 -3.069 -4.687 1.00 0.00 H new ATOM 53 N VAL A 5 -4.686 -4.079 -2.593 1.00 0.00 N ATOM 54 CA VAL A 5 -3.580 -3.827 -1.673 1.00 0.00 C ATOM 55 C VAL A 5 -3.759 -2.476 -0.988 1.00 0.00 C ATOM 56 O VAL A 5 -3.323 -1.444 -1.497 1.00 0.00 O ATOM 57 CB VAL A 5 -2.243 -3.833 -2.420 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.093 -3.772 -1.413 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.125 -5.117 -3.246 1.00 0.00 C ATOM 0 H VAL A 5 -4.663 -3.525 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.578 -4.620 -0.925 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.195 -2.967 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.142 -3.776 -1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.174 -2.859 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.142 -4.637 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.174 -5.121 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.175 -5.981 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.943 -5.163 -3.965 1.00 0.00 H new ATOM 69 N VAL A 6 -4.404 -2.492 0.175 1.00 0.00 N ATOM 70 CA VAL A 6 -4.635 -1.260 0.924 1.00 0.00 C ATOM 71 C VAL A 6 -3.475 -0.995 1.877 1.00 0.00 C ATOM 72 O VAL A 6 -2.791 -1.917 2.321 1.00 0.00 O ATOM 73 CB VAL A 6 -5.936 -1.355 1.728 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.246 0.000 2.369 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.082 -1.745 0.794 1.00 0.00 C ATOM 0 H VAL A 6 -4.773 -3.335 0.616 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.714 -0.440 0.210 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.824 -2.108 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.172 -0.071 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.430 0.283 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.357 0.754 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.009 -1.813 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.190 -0.990 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.866 -2.710 0.336 1.00 0.00 H new ATOM 85 N ALA A 7 -3.263 0.281 2.187 1.00 0.00 N ATOM 86 CA ALA A 7 -2.183 0.667 3.089 1.00 0.00 C ATOM 87 C ALA A 7 -2.559 0.354 4.534 1.00 0.00 C ATOM 88 O ALA A 7 -3.627 0.739 5.010 1.00 0.00 O ATOM 89 CB ALA A 7 -1.888 2.163 2.965 1.00 0.00 C ATOM 0 H ALA A 7 -3.819 1.058 1.831 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.295 0.099 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.080 2.432 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.592 2.392 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.782 2.732 3.220 1.00 0.00 H new ATOM 95 N ASN A 8 -1.667 -0.348 5.227 1.00 0.00 N ATOM 96 CA ASN A 8 -1.912 -0.709 6.620 1.00 0.00 C ATOM 97 C ASN A 8 -1.057 0.145 7.551 1.00 0.00 C ATOM 98 O ASN A 8 -0.641 -0.302 8.620 1.00 0.00 O ATOM 99 CB ASN A 8 -1.585 -2.185 6.859 1.00 0.00 C ATOM 100 CG ASN A 8 -2.170 -2.626 8.196 1.00 0.00 C ATOM 101 OD1 ASN A 8 -3.252 -2.184 8.584 1.00 0.00 O ATOM 102 ND2 ASN A 8 -1.512 -3.479 8.932 1.00 0.00 N ATOM 0 H ASN A 8 -0.777 -0.675 4.852 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.967 -0.533 6.830 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.994 -2.794 6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.505 -2.334 6.856 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.894 -3.780 9.829 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.616 -3.845 8.611 1.00 0.00 H new ATOM 109 N GLN A 9 -0.799 1.381 7.131 1.00 0.00 N ATOM 110 CA GLN A 9 0.010 2.295 7.932 1.00 0.00 C ATOM 111 C GLN A 9 0.120 3.650 7.237 1.00 0.00 C ATOM 112 O GLN A 9 -0.159 3.774 6.044 1.00 0.00 O ATOM 113 CB GLN A 9 1.417 1.723 8.146 1.00 0.00 C ATOM 114 CG GLN A 9 1.898 2.047 9.565 1.00 0.00 C ATOM 115 CD GLN A 9 3.391 2.365 9.539 1.00 0.00 C ATOM 116 OE1 GLN A 9 4.223 1.462 9.465 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.781 3.610 9.599 1.00 0.00 N ATOM 0 H GLN A 9 -1.135 1.770 6.250 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.477 2.420 8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.408 0.644 7.992 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.106 2.144 7.414 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.342 2.896 9.964 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.707 1.202 10.226 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.091 4.358 9.660 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.776 3.834 9.584 1.00 0.00 H new ATOM 126 N LEU A 10 0.526 4.663 7.997 1.00 0.00 N ATOM 127 CA LEU A 10 0.667 6.007 7.444 1.00 0.00 C ATOM 128 C LEU A 10 1.893 6.088 6.539 1.00 0.00 C ATOM 129 O LEU A 10 3.016 6.283 7.007 1.00 0.00 O ATOM 130 CB LEU A 10 0.806 7.038 8.567 1.00 0.00 C ATOM 131 CG LEU A 10 0.752 8.450 7.980 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.630 8.702 7.375 1.00 0.00 C ATOM 133 CD2 LEU A 10 1.016 9.471 9.089 1.00 0.00 C ATOM 0 H LEU A 10 0.761 4.582 8.986 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.228 6.225 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.007 6.906 9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.747 6.889 9.096 1.00 0.00 H new ATOM 0 HG LEU A 10 1.510 8.549 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.666 9.708 6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.820 7.975 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.390 8.603 8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.978 10.478 8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.257 9.370 9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.001 9.293 9.520 1.00 0.00 H new ATOM 145 N ILE A 11 1.664 5.937 5.238 1.00 0.00 N ATOM 146 CA ILE A 11 2.753 5.996 4.267 1.00 0.00 C ATOM 147 C ILE A 11 2.950 7.443 3.784 1.00 0.00 C ATOM 148 O ILE A 11 2.086 7.985 3.096 1.00 0.00 O ATOM 149 CB ILE A 11 2.437 5.110 3.057 1.00 0.00 C ATOM 150 CG1 ILE A 11 2.104 3.692 3.531 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.652 5.057 2.127 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.191 3.014 2.507 1.00 0.00 C ATOM 0 H ILE A 11 0.742 5.774 4.833 1.00 0.00 H new ATOM 0 HA ILE A 11 3.663 5.640 4.751 1.00 0.00 H new ATOM 0 HB ILE A 11 1.584 5.527 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.020 3.114 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.614 3.728 4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.425 4.426 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.893 6.064 1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.505 4.643 2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.953 2.005 2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.270 3.588 2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.698 2.965 1.543 1.00 0.00 H new ATOM 164 N PRO A 12 4.076 8.097 4.133 1.00 0.00 N ATOM 165 CA PRO A 12 4.325 9.486 3.705 1.00 0.00 C ATOM 166 C PRO A 12 4.883 9.576 2.285 1.00 0.00 C ATOM 167 O PRO A 12 5.518 8.645 1.792 1.00 0.00 O ATOM 168 CB PRO A 12 5.356 9.961 4.722 1.00 0.00 C ATOM 169 CG PRO A 12 6.060 8.720 5.260 1.00 0.00 C ATOM 170 CD PRO A 12 5.162 7.516 4.957 1.00 0.00 C ATOM 0 HA PRO A 12 3.413 10.083 3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.072 10.639 4.257 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.875 10.512 5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.036 8.599 4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.231 8.811 6.333 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.702 6.737 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.775 7.063 5.870 1.00 0.00 H new ATOM 178 N ILE A 13 4.635 10.712 1.639 1.00 0.00 N ATOM 179 CA ILE A 13 5.114 10.923 0.275 1.00 0.00 C ATOM 180 C ILE A 13 6.643 10.865 0.231 1.00 0.00 C ATOM 181 O ILE A 13 7.319 11.132 1.224 1.00 0.00 O ATOM 182 CB ILE A 13 4.622 12.280 -0.256 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.049 12.438 -1.722 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.212 13.421 0.585 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.504 13.754 -2.285 1.00 0.00 C ATOM 0 H ILE A 13 4.111 11.494 2.032 1.00 0.00 H new ATOM 0 HA ILE A 13 4.716 10.130 -0.359 1.00 0.00 H new ATOM 0 HB ILE A 13 3.535 12.320 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.136 12.423 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.677 11.599 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.857 14.377 0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.898 13.308 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.300 13.389 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.811 13.859 -3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.416 13.752 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.897 14.589 -1.704 1.00 0.00 H new ATOM 197 N ASN A 14 7.176 10.513 -0.937 1.00 0.00 N ATOM 198 CA ASN A 14 8.625 10.420 -1.112 1.00 0.00 C ATOM 199 C ASN A 14 9.215 9.387 -0.156 1.00 0.00 C ATOM 200 O ASN A 14 10.338 9.536 0.326 1.00 0.00 O ATOM 201 CB ASN A 14 9.284 11.777 -0.851 1.00 0.00 C ATOM 202 CG ASN A 14 8.813 12.780 -1.898 1.00 0.00 C ATOM 203 OD1 ASN A 14 8.308 13.851 -1.558 1.00 0.00 O ATOM 204 ND2 ASN A 14 8.951 12.497 -3.164 1.00 0.00 N ATOM 0 H ASN A 14 6.632 10.289 -1.770 1.00 0.00 H new ATOM 0 HA ASN A 14 8.820 10.114 -2.140 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.029 12.131 0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.369 11.679 -0.887 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.641 13.162 -3.872 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.369 11.610 -3.446 1.00 0.00 H new ATOM 211 N THR A 15 8.444 8.338 0.111 1.00 0.00 N ATOM 212 CA THR A 15 8.897 7.281 1.012 1.00 0.00 C ATOM 213 C THR A 15 8.691 5.912 0.372 1.00 0.00 C ATOM 214 O THR A 15 7.893 5.756 -0.551 1.00 0.00 O ATOM 215 CB THR A 15 8.127 7.336 2.333 1.00 0.00 C ATOM 216 OG1 THR A 15 8.091 8.677 2.802 1.00 0.00 O ATOM 217 CG2 THR A 15 8.820 6.449 3.367 1.00 0.00 C ATOM 0 H THR A 15 7.512 8.196 -0.278 1.00 0.00 H new ATOM 0 HA THR A 15 9.958 7.436 1.206 1.00 0.00 H new ATOM 0 HB THR A 15 7.109 6.978 2.177 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.276 9.115 2.478 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.271 6.489 4.308 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.846 5.421 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.838 6.803 3.526 1.00 0.00 H new ATOM 225 N ALA A 16 9.422 4.922 0.877 1.00 0.00 N ATOM 226 CA ALA A 16 9.314 3.564 0.349 1.00 0.00 C ATOM 227 C ALA A 16 8.236 2.787 1.097 1.00 0.00 C ATOM 228 O ALA A 16 7.960 3.050 2.268 1.00 0.00 O ATOM 229 CB ALA A 16 10.647 2.827 0.487 1.00 0.00 C ATOM 0 H ALA A 16 10.088 5.031 1.642 1.00 0.00 H new ATOM 0 HA ALA A 16 9.047 3.633 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.547 1.817 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.418 3.362 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.927 2.776 1.539 1.00 0.00 H new ATOM 235 N LEU A 17 7.630 1.825 0.407 1.00 0.00 N ATOM 236 CA LEU A 17 6.582 1.010 1.014 1.00 0.00 C ATOM 237 C LEU A 17 7.184 -0.224 1.677 1.00 0.00 C ATOM 238 O LEU A 17 8.343 -0.569 1.443 1.00 0.00 O ATOM 239 CB LEU A 17 5.570 0.563 -0.043 1.00 0.00 C ATOM 240 CG LEU A 17 4.959 1.791 -0.718 1.00 0.00 C ATOM 241 CD1 LEU A 17 4.095 1.346 -1.900 1.00 0.00 C ATOM 242 CD2 LEU A 17 4.092 2.547 0.291 1.00 0.00 C ATOM 0 H LEU A 17 7.843 1.592 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 17 6.077 1.617 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.059 -0.067 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.787 -0.038 0.419 1.00 0.00 H new ATOM 0 HG LEU A 17 5.755 2.444 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.659 2.221 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.712 0.806 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.298 0.694 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.656 3.423 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.296 1.894 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.707 2.863 1.134 1.00 0.00 H new ATOM 254 N THR A 18 6.384 -0.885 2.507 1.00 0.00 N ATOM 255 CA THR A 18 6.846 -2.084 3.202 1.00 0.00 C ATOM 256 C THR A 18 5.686 -3.051 3.422 1.00 0.00 C ATOM 257 O THR A 18 4.520 -2.685 3.284 1.00 0.00 O ATOM 258 CB THR A 18 7.455 -1.717 4.557 1.00 0.00 C ATOM 259 OG1 THR A 18 6.464 -1.102 5.369 1.00 0.00 O ATOM 260 CG2 THR A 18 8.620 -0.750 4.350 1.00 0.00 C ATOM 0 H THR A 18 5.422 -0.616 2.714 1.00 0.00 H new ATOM 0 HA THR A 18 7.605 -2.562 2.582 1.00 0.00 H new ATOM 0 HB THR A 18 7.819 -2.619 5.048 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.818 -0.267 5.741 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.053 -0.490 5.316 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.380 -1.223 3.728 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.260 0.154 3.858 1.00 0.00 H new ATOM 268 N LEU A 19 6.023 -4.290 3.767 1.00 0.00 N ATOM 269 CA LEU A 19 5.003 -5.308 4.006 1.00 0.00 C ATOM 270 C LEU A 19 4.104 -4.901 5.169 1.00 0.00 C ATOM 271 O LEU A 19 2.918 -5.232 5.201 1.00 0.00 O ATOM 272 CB LEU A 19 5.656 -6.653 4.326 1.00 0.00 C ATOM 273 CG LEU A 19 6.112 -7.322 3.029 1.00 0.00 C ATOM 274 CD1 LEU A 19 7.492 -6.792 2.639 1.00 0.00 C ATOM 275 CD2 LEU A 19 6.189 -8.836 3.236 1.00 0.00 C ATOM 0 H LEU A 19 6.983 -4.612 3.887 1.00 0.00 H new ATOM 0 HA LEU A 19 4.403 -5.402 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.507 -6.507 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.949 -7.296 4.850 1.00 0.00 H new ATOM 0 HG LEU A 19 5.399 -7.098 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.817 -7.269 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.439 -5.713 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.205 -7.015 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.514 -9.314 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.902 -9.059 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.206 -9.216 3.514 1.00 0.00 H new ATOM 287 N VAL A 20 4.681 -4.178 6.125 1.00 0.00 N ATOM 288 CA VAL A 20 3.922 -3.728 7.289 1.00 0.00 C ATOM 289 C VAL A 20 2.866 -2.707 6.871 1.00 0.00 C ATOM 290 O VAL A 20 1.798 -2.617 7.477 1.00 0.00 O ATOM 291 CB VAL A 20 4.854 -3.093 8.328 1.00 0.00 C ATOM 292 CG1 VAL A 20 4.064 -2.768 9.599 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.982 -4.070 8.673 1.00 0.00 C ATOM 0 H VAL A 20 5.660 -3.893 6.118 1.00 0.00 H new ATOM 0 HA VAL A 20 3.433 -4.597 7.730 1.00 0.00 H new ATOM 0 HB VAL A 20 5.277 -2.177 7.916 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.729 -2.317 10.335 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.261 -2.071 9.360 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.639 -3.685 10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.643 -3.616 9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.557 -4.987 9.081 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.550 -4.303 7.772 1.00 0.00 H new ATOM 303 N MET A 21 3.175 -1.939 5.829 1.00 0.00 N ATOM 304 CA MET A 21 2.244 -0.926 5.339 1.00 0.00 C ATOM 305 C MET A 21 1.477 -1.444 4.125 1.00 0.00 C ATOM 306 O MET A 21 1.100 -0.678 3.239 1.00 0.00 O ATOM 307 CB MET A 21 2.993 0.350 4.946 1.00 0.00 C ATOM 308 CG MET A 21 3.889 0.798 6.103 1.00 0.00 C ATOM 309 SD MET A 21 4.278 2.556 5.923 1.00 0.00 S ATOM 310 CE MET A 21 5.585 2.374 4.685 1.00 0.00 C ATOM 0 H MET A 21 4.053 -1.997 5.313 1.00 0.00 H new ATOM 0 HA MET A 21 1.543 -0.702 6.143 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.595 0.170 4.055 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.283 1.138 4.697 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.387 0.622 7.054 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.807 0.211 6.114 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.927 3.360 4.370 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.419 1.820 5.116 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.197 1.832 3.823 1.00 0.00 H new ATOM 320 N MET A 22 1.249 -2.755 4.094 1.00 0.00 N ATOM 321 CA MET A 22 0.524 -3.367 2.983 1.00 0.00 C ATOM 322 C MET A 22 -0.234 -4.603 3.458 1.00 0.00 C ATOM 323 O MET A 22 0.266 -5.380 4.272 1.00 0.00 O ATOM 324 CB MET A 22 1.491 -3.775 1.869 1.00 0.00 C ATOM 325 CG MET A 22 2.068 -2.522 1.207 1.00 0.00 C ATOM 326 SD MET A 22 2.443 -2.870 -0.530 1.00 0.00 S ATOM 327 CE MET A 22 3.550 -4.275 -0.250 1.00 0.00 C ATOM 0 H MET A 22 1.552 -3.408 4.817 1.00 0.00 H new ATOM 0 HA MET A 22 -0.182 -2.631 2.598 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.296 -4.386 2.278 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.973 -4.384 1.128 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.356 -1.700 1.278 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.972 -2.206 1.728 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.342 -4.269 -0.999 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.990 -4.199 0.744 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.985 -5.204 -0.327 1.00 0.00 H new ATOM 337 N ARG A 23 -1.447 -4.775 2.940 1.00 0.00 N ATOM 338 CA ARG A 23 -2.269 -5.920 3.317 1.00 0.00 C ATOM 339 C ARG A 23 -3.352 -6.166 2.271 1.00 0.00 C ATOM 340 O ARG A 23 -3.418 -5.480 1.252 1.00 0.00 O ATOM 341 CB ARG A 23 -2.932 -5.680 4.676 1.00 0.00 C ATOM 342 CG ARG A 23 -3.721 -4.370 4.638 1.00 0.00 C ATOM 343 CD ARG A 23 -4.513 -4.212 5.936 1.00 0.00 C ATOM 344 NE ARG A 23 -5.436 -5.329 6.116 1.00 0.00 N ATOM 345 CZ ARG A 23 -5.173 -6.303 6.981 1.00 0.00 C ATOM 346 NH1 ARG A 23 -4.821 -6.014 8.204 1.00 0.00 N ATOM 347 NH2 ARG A 23 -5.265 -7.551 6.608 1.00 0.00 N ATOM 0 H ARG A 23 -1.879 -4.143 2.265 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.620 -6.794 3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.596 -6.509 4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.175 -5.638 5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.041 -3.528 4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.398 -4.366 3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.828 -4.160 6.782 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.068 -3.274 5.917 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.296 -5.362 5.569 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.748 -5.040 8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.619 -6.762 8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.539 -7.779 5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.063 -8.298 7.272 1.00 0.00 H new ATOM 361 N SER A 24 -4.201 -7.156 2.536 1.00 0.00 N ATOM 362 CA SER A 24 -5.281 -7.488 1.612 1.00 0.00 C ATOM 363 C SER A 24 -6.629 -7.106 2.212 1.00 0.00 C ATOM 364 O SER A 24 -6.982 -7.540 3.309 1.00 0.00 O ATOM 365 CB SER A 24 -5.280 -8.985 1.302 1.00 0.00 C ATOM 366 OG SER A 24 -3.944 -9.469 1.333 1.00 0.00 O ATOM 0 H SER A 24 -4.163 -7.737 3.374 1.00 0.00 H new ATOM 0 HA SER A 24 -5.120 -6.928 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.890 -9.520 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.722 -9.166 0.322 1.00 0.00 H new ATOM 0 HG SER A 24 -3.939 -10.429 1.136 1.00 0.00 H new ATOM 372 N GLU A 25 -7.380 -6.286 1.480 1.00 0.00 N ATOM 373 CA GLU A 25 -8.690 -5.847 1.950 1.00 0.00 C ATOM 374 C GLU A 25 -9.582 -5.474 0.771 1.00 0.00 C ATOM 375 O GLU A 25 -9.113 -4.956 -0.242 1.00 0.00 O ATOM 376 CB GLU A 25 -8.550 -4.633 2.871 1.00 0.00 C ATOM 377 CG GLU A 25 -9.856 -4.420 3.640 1.00 0.00 C ATOM 378 CD GLU A 25 -9.982 -2.952 4.031 1.00 0.00 C ATOM 379 OE1 GLU A 25 -8.994 -2.390 4.474 1.00 0.00 O ATOM 380 OE2 GLU A 25 -11.066 -2.411 3.884 1.00 0.00 O ATOM 0 H GLU A 25 -7.107 -5.916 0.569 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.142 -6.671 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.726 -4.786 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.312 -3.745 2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.705 -4.718 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.872 -5.047 4.531 1.00 0.00 H new ATOM 387 N VAL A 26 -10.877 -5.744 0.915 1.00 0.00 N ATOM 388 CA VAL A 26 -11.833 -5.434 -0.145 1.00 0.00 C ATOM 389 C VAL A 26 -12.126 -3.937 -0.174 1.00 0.00 C ATOM 390 O VAL A 26 -12.575 -3.358 0.816 1.00 0.00 O ATOM 391 CB VAL A 26 -13.144 -6.195 0.073 1.00 0.00 C ATOM 392 CG1 VAL A 26 -14.053 -6.010 -1.143 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.845 -7.685 0.260 1.00 0.00 C ATOM 0 H VAL A 26 -11.286 -6.172 1.746 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.393 -5.738 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.642 -5.808 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.985 -6.552 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.268 -4.950 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.554 -6.396 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.778 -8.227 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.345 -8.070 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.198 -7.820 1.127 1.00 0.00 H new ATOM 403 N VAL A 27 -11.866 -3.317 -1.321 1.00 0.00 N ATOM 404 CA VAL A 27 -12.103 -1.884 -1.474 1.00 0.00 C ATOM 405 C VAL A 27 -12.362 -1.541 -2.937 1.00 0.00 C ATOM 406 O VAL A 27 -12.002 -2.296 -3.841 1.00 0.00 O ATOM 407 CB VAL A 27 -10.895 -1.086 -0.980 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.739 -1.276 0.530 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.634 -1.581 -1.690 1.00 0.00 C ATOM 0 H VAL A 27 -11.495 -3.778 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.978 -1.622 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.044 -0.028 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.878 -0.707 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.638 -0.923 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.590 -2.333 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.772 -1.013 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.485 -2.639 -1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.745 -1.444 -2.766 1.00 0.00 H new ATOM 419 N THR A 28 -12.990 -0.390 -3.160 1.00 0.00 N ATOM 420 CA THR A 28 -13.295 0.050 -4.518 1.00 0.00 C ATOM 421 C THR A 28 -12.621 1.399 -4.806 1.00 0.00 C ATOM 422 O THR A 28 -12.497 2.233 -3.909 1.00 0.00 O ATOM 423 CB THR A 28 -14.807 0.198 -4.707 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.070 0.780 -5.976 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.377 1.094 -3.605 1.00 0.00 C ATOM 0 H THR A 28 -13.295 0.249 -2.426 1.00 0.00 H new ATOM 0 HA THR A 28 -12.916 -0.702 -5.209 1.00 0.00 H new ATOM 0 HB THR A 28 -15.277 -0.784 -4.653 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.038 0.874 -6.099 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.453 1.198 -3.741 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.176 0.646 -2.632 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.908 2.077 -3.656 1.00 0.00 H new ATOM 433 N PRO A 29 -12.178 1.637 -6.054 1.00 0.00 N ATOM 434 CA PRO A 29 -12.295 0.677 -7.175 1.00 0.00 C ATOM 435 C PRO A 29 -11.192 -0.378 -7.163 1.00 0.00 C ATOM 436 O PRO A 29 -10.194 -0.245 -6.454 1.00 0.00 O ATOM 437 CB PRO A 29 -12.162 1.583 -8.392 1.00 0.00 C ATOM 438 CG PRO A 29 -11.406 2.828 -7.941 1.00 0.00 C ATOM 439 CD PRO A 29 -11.519 2.907 -6.414 1.00 0.00 C ATOM 0 HA PRO A 29 -13.220 0.102 -7.140 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.626 1.075 -9.194 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.144 1.849 -8.784 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.361 2.774 -8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.827 3.721 -8.403 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.540 3.000 -5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.107 3.769 -6.099 1.00 0.00 H new ATOM 447 N VAL A 30 -11.386 -1.430 -7.954 1.00 0.00 N ATOM 448 CA VAL A 30 -10.402 -2.507 -8.028 1.00 0.00 C ATOM 449 C VAL A 30 -9.073 -1.977 -8.557 1.00 0.00 C ATOM 450 O VAL A 30 -8.889 -1.815 -9.764 1.00 0.00 O ATOM 451 CB VAL A 30 -10.896 -3.627 -8.949 1.00 0.00 C ATOM 452 CG1 VAL A 30 -9.947 -4.823 -8.855 1.00 0.00 C ATOM 453 CG2 VAL A 30 -12.301 -4.060 -8.518 1.00 0.00 C ATOM 0 H VAL A 30 -12.206 -1.560 -8.547 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.262 -2.903 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.924 -3.264 -9.976 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.299 -5.619 -9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.946 -4.518 -9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.919 -5.185 -7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.653 -4.857 -9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.271 -4.422 -7.490 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.980 -3.210 -8.584 1.00 0.00 H new ATOM 463 N GLY A 31 -8.149 -1.710 -7.639 1.00 0.00 N ATOM 464 CA GLY A 31 -6.835 -1.200 -8.021 1.00 0.00 C ATOM 465 C GLY A 31 -5.839 -2.342 -8.185 1.00 0.00 C ATOM 466 O GLY A 31 -6.061 -3.272 -8.960 1.00 0.00 O ATOM 0 H GLY A 31 -8.282 -1.836 -6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.913 -0.643 -8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.476 -0.504 -7.263 1.00 0.00 H new ATOM 470 N ILE A 32 -4.738 -2.262 -7.443 1.00 0.00 N ATOM 471 CA ILE A 32 -3.710 -3.298 -7.510 1.00 0.00 C ATOM 472 C ILE A 32 -4.165 -4.544 -6.737 1.00 0.00 C ATOM 473 O ILE A 32 -4.754 -4.423 -5.663 1.00 0.00 O ATOM 474 CB ILE A 32 -2.398 -2.783 -6.909 1.00 0.00 C ATOM 475 CG1 ILE A 32 -2.007 -1.470 -7.594 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.292 -3.819 -7.123 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.862 -0.809 -6.822 1.00 0.00 C ATOM 0 H ILE A 32 -4.535 -1.500 -6.795 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.550 -3.558 -8.557 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.531 -2.613 -5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.702 -1.662 -8.623 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.866 -0.800 -7.635 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.360 -3.450 -6.695 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.570 -4.754 -6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.157 -3.992 -8.191 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.585 0.125 -7.311 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.183 -0.603 -5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.002 -1.478 -6.804 1.00 0.00 H new ATOM 489 N PRO A 33 -3.906 -5.757 -7.261 1.00 0.00 N ATOM 490 CA PRO A 33 -4.312 -6.999 -6.578 1.00 0.00 C ATOM 491 C PRO A 33 -3.328 -7.425 -5.490 1.00 0.00 C ATOM 492 O PRO A 33 -2.195 -6.945 -5.433 1.00 0.00 O ATOM 493 CB PRO A 33 -4.327 -8.008 -7.719 1.00 0.00 C ATOM 494 CG PRO A 33 -3.392 -7.477 -8.800 1.00 0.00 C ATOM 495 CD PRO A 33 -3.203 -5.978 -8.549 1.00 0.00 C ATOM 0 HA PRO A 33 -5.263 -6.896 -6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.997 -8.987 -7.372 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.337 -8.132 -8.110 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.434 -7.995 -8.766 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.813 -7.650 -9.790 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.148 -5.711 -8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.634 -5.378 -9.351 1.00 0.00 H new ATOM 503 N ALA A 34 -3.779 -8.332 -4.628 1.00 0.00 N ATOM 504 CA ALA A 34 -2.939 -8.826 -3.540 1.00 0.00 C ATOM 505 C ALA A 34 -1.767 -9.652 -4.076 1.00 0.00 C ATOM 506 O ALA A 34 -0.758 -9.831 -3.396 1.00 0.00 O ATOM 507 CB ALA A 34 -3.762 -9.695 -2.587 1.00 0.00 C ATOM 0 H ALA A 34 -4.714 -8.738 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.548 -7.959 -3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.123 -10.056 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.576 -9.104 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.173 -10.544 -3.133 1.00 0.00 H new ATOM 513 N GLU A 35 -1.908 -10.158 -5.299 1.00 0.00 N ATOM 514 CA GLU A 35 -0.850 -10.966 -5.901 1.00 0.00 C ATOM 515 C GLU A 35 0.427 -10.149 -6.116 1.00 0.00 C ATOM 516 O GLU A 35 1.497 -10.713 -6.353 1.00 0.00 O ATOM 517 CB GLU A 35 -1.312 -11.524 -7.249 1.00 0.00 C ATOM 518 CG GLU A 35 -2.573 -12.366 -7.049 1.00 0.00 C ATOM 519 CD GLU A 35 -2.217 -13.647 -6.302 1.00 0.00 C ATOM 520 OE1 GLU A 35 -1.805 -14.593 -6.952 1.00 0.00 O ATOM 521 OE2 GLU A 35 -2.363 -13.662 -5.091 1.00 0.00 O ATOM 0 H GLU A 35 -2.732 -10.026 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.633 -11.782 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.514 -10.708 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.523 -12.131 -7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.316 -11.800 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.019 -12.607 -8.014 1.00 0.00 H new ATOM 528 N ASP A 36 0.318 -8.820 -6.048 1.00 0.00 N ATOM 529 CA ASP A 36 1.489 -7.967 -6.256 1.00 0.00 C ATOM 530 C ASP A 36 1.923 -7.286 -4.959 1.00 0.00 C ATOM 531 O ASP A 36 2.515 -6.207 -4.981 1.00 0.00 O ATOM 532 CB ASP A 36 1.188 -6.894 -7.303 1.00 0.00 C ATOM 533 CG ASP A 36 1.295 -7.502 -8.699 1.00 0.00 C ATOM 534 OD1 ASP A 36 0.334 -8.116 -9.131 1.00 0.00 O ATOM 535 OD2 ASP A 36 2.337 -7.343 -9.313 1.00 0.00 O ATOM 0 H ASP A 36 -0.550 -8.320 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 36 2.299 -8.608 -6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.188 -6.488 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.888 -6.065 -7.201 1.00 0.00 H new ATOM 540 N ILE A 37 1.642 -7.929 -3.832 1.00 0.00 N ATOM 541 CA ILE A 37 2.030 -7.374 -2.537 1.00 0.00 C ATOM 542 C ILE A 37 3.561 -7.454 -2.346 1.00 0.00 C ATOM 543 O ILE A 37 4.177 -6.468 -1.942 1.00 0.00 O ATOM 544 CB ILE A 37 1.305 -8.108 -1.395 1.00 0.00 C ATOM 545 CG1 ILE A 37 -0.196 -7.836 -1.502 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.798 -7.609 -0.029 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.970 -8.954 -0.803 1.00 0.00 C ATOM 0 H ILE A 37 1.154 -8.823 -3.785 1.00 0.00 H new ATOM 0 HA ILE A 37 1.736 -6.325 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 37 1.511 -9.175 -1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.435 -6.875 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.491 -7.775 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.272 -8.141 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.869 -7.791 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.603 -6.540 0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.040 -8.759 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.740 -9.908 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.683 -8.993 0.248 1.00 0.00 H new ATOM 559 N PRO A 38 4.203 -8.606 -2.629 1.00 0.00 N ATOM 560 CA PRO A 38 5.666 -8.727 -2.465 1.00 0.00 C ATOM 561 C PRO A 38 6.448 -8.056 -3.596 1.00 0.00 C ATOM 562 O PRO A 38 7.631 -7.749 -3.452 1.00 0.00 O ATOM 563 CB PRO A 38 5.881 -10.234 -2.475 1.00 0.00 C ATOM 564 CG PRO A 38 4.697 -10.846 -3.209 1.00 0.00 C ATOM 565 CD PRO A 38 3.544 -9.842 -3.125 1.00 0.00 C ATOM 0 HA PRO A 38 6.022 -8.232 -1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.817 -10.487 -2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.947 -10.621 -1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.953 -11.052 -4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.413 -11.796 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.075 -9.686 -4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.763 -10.182 -2.445 1.00 0.00 H new ATOM 573 N ARG A 39 5.774 -7.828 -4.722 1.00 0.00 N ATOM 574 CA ARG A 39 6.417 -7.188 -5.867 1.00 0.00 C ATOM 575 C ARG A 39 6.459 -5.670 -5.685 1.00 0.00 C ATOM 576 O ARG A 39 7.307 -4.989 -6.260 1.00 0.00 O ATOM 577 CB ARG A 39 5.660 -7.514 -7.155 1.00 0.00 C ATOM 578 CG ARG A 39 5.733 -9.018 -7.424 1.00 0.00 C ATOM 579 CD ARG A 39 4.928 -9.352 -8.682 1.00 0.00 C ATOM 580 NE ARG A 39 5.523 -10.484 -9.388 1.00 0.00 N ATOM 581 CZ ARG A 39 5.370 -11.727 -8.940 1.00 0.00 C ATOM 582 NH1 ARG A 39 4.278 -12.389 -9.213 1.00 0.00 N ATOM 583 NH2 ARG A 39 6.311 -12.285 -8.230 1.00 0.00 N ATOM 0 H ARG A 39 4.794 -8.074 -4.865 1.00 0.00 H new ATOM 0 HA ARG A 39 7.435 -7.571 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.620 -7.200 -7.067 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.090 -6.963 -7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.771 -9.325 -7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.340 -9.570 -6.571 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.899 -9.586 -8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.894 -8.483 -9.340 1.00 0.00 H new ATOM 0 HE ARG A 39 6.064 -10.319 -10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.543 -11.953 -9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.160 -13.342 -8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.164 -11.768 -8.018 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.193 -13.238 -7.887 1.00 0.00 H new ATOM 597 N LEU A 40 5.532 -5.144 -4.883 1.00 0.00 N ATOM 598 CA LEU A 40 5.475 -3.704 -4.641 1.00 0.00 C ATOM 599 C LEU A 40 6.198 -3.340 -3.343 1.00 0.00 C ATOM 600 O LEU A 40 5.766 -2.458 -2.600 1.00 0.00 O ATOM 601 CB LEU A 40 4.019 -3.241 -4.546 1.00 0.00 C ATOM 602 CG LEU A 40 3.486 -2.932 -5.946 1.00 0.00 C ATOM 603 CD1 LEU A 40 2.009 -3.321 -6.026 1.00 0.00 C ATOM 604 CD2 LEU A 40 3.635 -1.435 -6.231 1.00 0.00 C ATOM 0 H LEU A 40 4.819 -5.687 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 40 5.967 -3.205 -5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.411 -4.014 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.949 -2.355 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 40 4.053 -3.500 -6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.628 -3.101 -7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.902 -4.387 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.443 -2.753 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.255 -1.215 -7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.069 -0.866 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.687 -1.157 -6.174 1.00 0.00 H new ATOM 616 N VAL A 41 7.307 -4.025 -3.078 1.00 0.00 N ATOM 617 CA VAL A 41 8.081 -3.758 -1.869 1.00 0.00 C ATOM 618 C VAL A 41 9.132 -2.685 -2.141 1.00 0.00 C ATOM 619 O VAL A 41 9.781 -2.683 -3.187 1.00 0.00 O ATOM 620 CB VAL A 41 8.776 -5.033 -1.381 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.443 -4.772 -0.029 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.740 -6.150 -1.225 1.00 0.00 C ATOM 0 H VAL A 41 7.686 -4.760 -3.675 1.00 0.00 H new ATOM 0 HA VAL A 41 7.395 -3.408 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 41 9.532 -5.331 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.936 -5.681 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.181 -3.977 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.688 -4.472 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.233 -7.058 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.985 -5.847 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.263 -6.341 -2.186 1.00 0.00 H new ATOM 632 N SER A 42 9.291 -1.774 -1.184 1.00 0.00 N ATOM 633 CA SER A 42 10.265 -0.692 -1.323 1.00 0.00 C ATOM 634 C SER A 42 9.932 0.174 -2.536 1.00 0.00 C ATOM 635 O SER A 42 10.821 0.667 -3.231 1.00 0.00 O ATOM 636 CB SER A 42 11.678 -1.257 -1.484 1.00 0.00 C ATOM 637 OG SER A 42 12.244 -1.481 -0.199 1.00 0.00 O ATOM 0 H SER A 42 8.764 -1.762 -0.311 1.00 0.00 H new ATOM 0 HA SER A 42 10.221 -0.083 -0.420 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.647 -2.189 -2.048 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.298 -0.562 -2.051 1.00 0.00 H new ATOM 0 HG SER A 42 13.149 -1.845 -0.299 1.00 0.00 H new ATOM 643 N MET A 43 8.637 0.354 -2.780 1.00 0.00 N ATOM 644 CA MET A 43 8.190 1.164 -3.910 1.00 0.00 C ATOM 645 C MET A 43 7.984 2.613 -3.479 1.00 0.00 C ATOM 646 O MET A 43 7.537 2.887 -2.367 1.00 0.00 O ATOM 647 CB MET A 43 6.876 0.620 -4.474 1.00 0.00 C ATOM 648 CG MET A 43 7.114 -0.765 -5.077 1.00 0.00 C ATOM 649 SD MET A 43 8.140 -0.608 -6.561 1.00 0.00 S ATOM 650 CE MET A 43 6.815 -0.152 -7.706 1.00 0.00 C ATOM 0 H MET A 43 7.885 -0.045 -2.218 1.00 0.00 H new ATOM 0 HA MET A 43 8.960 1.120 -4.680 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.126 0.561 -3.685 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.486 1.297 -5.234 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.605 -1.411 -4.349 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.162 -1.233 -5.328 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.777 -0.872 -8.523 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.862 -0.152 -7.178 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.007 0.843 -8.108 1.00 0.00 H new ATOM 660 N GLN A 44 8.315 3.537 -4.377 1.00 0.00 N ATOM 661 CA GLN A 44 8.164 4.959 -4.083 1.00 0.00 C ATOM 662 C GLN A 44 6.940 5.524 -4.795 1.00 0.00 C ATOM 663 O GLN A 44 6.678 5.209 -5.956 1.00 0.00 O ATOM 664 CB GLN A 44 9.404 5.734 -4.532 1.00 0.00 C ATOM 665 CG GLN A 44 10.623 5.249 -3.745 1.00 0.00 C ATOM 666 CD GLN A 44 11.826 6.123 -4.081 1.00 0.00 C ATOM 667 OE1 GLN A 44 11.758 7.348 -3.987 1.00 0.00 O ATOM 668 NE2 GLN A 44 12.937 5.560 -4.471 1.00 0.00 N ATOM 0 H GLN A 44 8.686 3.330 -5.305 1.00 0.00 H new ATOM 0 HA GLN A 44 8.039 5.067 -3.006 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.568 5.592 -5.600 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.256 6.802 -4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.418 5.290 -2.675 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.836 4.208 -3.989 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.994 4.545 -4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.748 6.135 -4.698 1.00 0.00 H new ATOM 677 N VAL A 45 6.192 6.366 -4.085 1.00 0.00 N ATOM 678 CA VAL A 45 4.994 6.974 -4.657 1.00 0.00 C ATOM 679 C VAL A 45 5.248 8.441 -4.985 1.00 0.00 C ATOM 680 O VAL A 45 6.311 8.984 -4.683 1.00 0.00 O ATOM 681 CB VAL A 45 3.825 6.877 -3.676 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.440 5.409 -3.482 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.239 7.477 -2.330 1.00 0.00 C ATOM 0 H VAL A 45 6.392 6.640 -3.123 1.00 0.00 H new ATOM 0 HA VAL A 45 4.745 6.435 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 45 2.971 7.426 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.607 5.341 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.146 4.980 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.293 4.859 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.407 7.409 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.093 6.927 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.513 8.523 -2.467 1.00 0.00 H new ATOM 693 N ASN A 46 4.259 9.078 -5.606 1.00 0.00 N ATOM 694 CA ASN A 46 4.384 10.486 -5.971 1.00 0.00 C ATOM 695 C ASN A 46 3.607 11.364 -4.994 1.00 0.00 C ATOM 696 O ASN A 46 3.984 12.505 -4.729 1.00 0.00 O ATOM 697 CB ASN A 46 3.854 10.724 -7.388 1.00 0.00 C ATOM 698 CG ASN A 46 2.425 10.208 -7.493 1.00 0.00 C ATOM 699 OD1 ASN A 46 2.185 9.128 -8.032 1.00 0.00 O ATOM 700 ND2 ASN A 46 1.451 10.924 -7.007 1.00 0.00 N ATOM 0 H ASN A 46 3.371 8.647 -5.865 1.00 0.00 H new ATOM 0 HA ASN A 46 5.441 10.749 -5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.886 11.787 -7.625 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.489 10.217 -8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.490 10.589 -7.073 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.650 11.819 -6.560 1.00 0.00 H new ATOM 707 N ARG A 47 2.516 10.819 -4.463 1.00 0.00 N ATOM 708 CA ARG A 47 1.690 11.563 -3.515 1.00 0.00 C ATOM 709 C ARG A 47 1.587 10.811 -2.192 1.00 0.00 C ATOM 710 O ARG A 47 2.163 9.736 -2.026 1.00 0.00 O ATOM 711 CB ARG A 47 0.283 11.773 -4.081 1.00 0.00 C ATOM 712 CG ARG A 47 -0.319 10.422 -4.473 1.00 0.00 C ATOM 713 CD ARG A 47 -1.706 10.638 -5.079 1.00 0.00 C ATOM 714 NE ARG A 47 -2.720 10.715 -4.031 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.505 11.782 -3.917 1.00 0.00 C ATOM 716 NH1 ARG A 47 -4.011 12.338 -4.983 1.00 0.00 N ATOM 717 NH2 ARG A 47 -3.772 12.273 -2.737 1.00 0.00 N ATOM 0 H ARG A 47 2.186 9.876 -4.669 1.00 0.00 H new ATOM 0 HA ARG A 47 2.161 12.531 -3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.349 12.263 -3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.324 12.430 -4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.328 9.918 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.389 9.776 -3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.713 11.556 -5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.942 9.821 -5.761 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.828 9.939 -3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.805 11.954 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.613 13.157 -4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.378 11.838 -1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.374 13.092 -2.650 1.00 0.00 H new ATOM 731 N ALA A 48 0.846 11.391 -1.252 1.00 0.00 N ATOM 732 CA ALA A 48 0.671 10.769 0.057 1.00 0.00 C ATOM 733 C ALA A 48 -0.326 9.618 -0.029 1.00 0.00 C ATOM 734 O ALA A 48 -1.176 9.578 -0.919 1.00 0.00 O ATOM 735 CB ALA A 48 0.162 11.794 1.073 1.00 0.00 C ATOM 0 H ALA A 48 0.362 12.281 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 48 1.640 10.388 0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.037 11.313 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.882 12.608 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.796 12.192 0.739 1.00 0.00 H new ATOM 741 N VAL A 49 -0.211 8.680 0.906 1.00 0.00 N ATOM 742 CA VAL A 49 -1.106 7.526 0.930 1.00 0.00 C ATOM 743 C VAL A 49 -1.292 7.025 2.368 1.00 0.00 C ATOM 744 O VAL A 49 -0.526 6.182 2.835 1.00 0.00 O ATOM 745 CB VAL A 49 -0.539 6.389 0.076 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.574 5.267 -0.039 1.00 0.00 C ATOM 747 CG2 VAL A 49 -0.206 6.915 -1.323 1.00 0.00 C ATOM 0 H VAL A 49 0.486 8.694 1.651 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.069 7.838 0.525 1.00 0.00 H new ATOM 0 HB VAL A 49 0.366 6.004 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.168 4.459 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.812 4.889 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.479 5.654 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.198 6.105 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.111 7.303 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.533 7.713 -1.245 1.00 0.00 H new ATOM 757 N PRO A 50 -2.308 7.530 3.090 1.00 0.00 N ATOM 758 CA PRO A 50 -2.559 7.103 4.479 1.00 0.00 C ATOM 759 C PRO A 50 -3.290 5.765 4.560 1.00 0.00 C ATOM 760 O PRO A 50 -3.531 5.109 3.547 1.00 0.00 O ATOM 761 CB PRO A 50 -3.429 8.232 5.017 1.00 0.00 C ATOM 762 CG PRO A 50 -4.099 8.890 3.818 1.00 0.00 C ATOM 763 CD PRO A 50 -3.264 8.544 2.582 1.00 0.00 C ATOM 0 HA PRO A 50 -1.638 6.942 5.040 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.175 7.846 5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.826 8.955 5.566 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.121 8.530 3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.155 9.970 3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.882 8.147 1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.749 9.419 2.186 1.00 0.00 H new ATOM 771 N LEU A 51 -3.635 5.367 5.782 1.00 0.00 N ATOM 772 CA LEU A 51 -4.336 4.102 5.992 1.00 0.00 C ATOM 773 C LEU A 51 -5.687 4.114 5.284 1.00 0.00 C ATOM 774 O LEU A 51 -6.298 5.166 5.096 1.00 0.00 O ATOM 775 CB LEU A 51 -4.558 3.857 7.486 1.00 0.00 C ATOM 776 CG LEU A 51 -3.230 3.489 8.146 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.520 4.762 8.611 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.493 2.585 9.352 1.00 0.00 C ATOM 0 H LEU A 51 -3.444 5.895 6.634 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.719 3.304 5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.973 4.750 7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.282 3.055 7.630 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.601 2.964 7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.573 4.499 9.082 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.332 5.408 7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.149 5.287 9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.546 2.322 9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.122 3.111 10.070 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.999 1.677 9.023 1.00 0.00 H new ATOM 790 N GLY A 52 -6.145 2.927 4.895 1.00 0.00 N ATOM 791 CA GLY A 52 -7.427 2.803 4.206 1.00 0.00 C ATOM 792 C GLY A 52 -7.381 3.490 2.846 1.00 0.00 C ATOM 793 O GLY A 52 -8.240 4.309 2.518 1.00 0.00 O ATOM 0 H GLY A 52 -5.654 2.045 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.675 1.749 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.216 3.245 4.815 1.00 0.00 H new ATOM 797 N THR A 53 -6.368 3.147 2.057 1.00 0.00 N ATOM 798 CA THR A 53 -6.216 3.734 0.729 1.00 0.00 C ATOM 799 C THR A 53 -5.917 2.650 -0.301 1.00 0.00 C ATOM 800 O THR A 53 -4.939 1.913 -0.183 1.00 0.00 O ATOM 801 CB THR A 53 -5.078 4.756 0.722 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.260 5.672 1.792 1.00 0.00 O ATOM 803 CG2 THR A 53 -5.076 5.514 -0.607 1.00 0.00 C ATOM 0 H THR A 53 -5.646 2.472 2.310 1.00 0.00 H new ATOM 0 HA THR A 53 -7.151 4.232 0.472 1.00 0.00 H new ATOM 0 HB THR A 53 -4.126 4.240 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.606 5.485 2.498 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.264 6.242 -0.610 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.935 4.810 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.027 6.031 -0.732 1.00 0.00 H new ATOM 811 N THR A 54 -6.774 2.562 -1.315 1.00 0.00 N ATOM 812 CA THR A 54 -6.596 1.564 -2.365 1.00 0.00 C ATOM 813 C THR A 54 -5.339 1.862 -3.176 1.00 0.00 C ATOM 814 O THR A 54 -5.327 2.752 -4.027 1.00 0.00 O ATOM 815 CB THR A 54 -7.804 1.550 -3.304 1.00 0.00 C ATOM 816 OG1 THR A 54 -8.997 1.489 -2.537 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.723 0.332 -4.226 1.00 0.00 C ATOM 0 H THR A 54 -7.590 3.163 -1.431 1.00 0.00 H new ATOM 0 HA THR A 54 -6.498 0.589 -1.888 1.00 0.00 H new ATOM 0 HB THR A 54 -7.806 2.458 -3.907 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.772 1.482 -3.137 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.584 0.324 -4.894 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.807 0.382 -4.815 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.720 -0.578 -3.627 1.00 0.00 H new ATOM 825 N LEU A 55 -4.279 1.107 -2.900 1.00 0.00 N ATOM 826 CA LEU A 55 -3.015 1.294 -3.608 1.00 0.00 C ATOM 827 C LEU A 55 -3.198 1.036 -5.100 1.00 0.00 C ATOM 828 O LEU A 55 -3.475 -0.087 -5.521 1.00 0.00 O ATOM 829 CB LEU A 55 -1.951 0.337 -3.065 1.00 0.00 C ATOM 830 CG LEU A 55 -0.565 0.812 -3.502 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.121 1.977 -2.617 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.433 -0.340 -3.364 1.00 0.00 C ATOM 0 H LEU A 55 -4.269 0.367 -2.198 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.691 2.323 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.006 0.295 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.133 -0.673 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.604 1.140 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.867 2.315 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.832 2.798 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.081 1.650 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.422 -0.004 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.471 -0.666 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.118 -1.172 -3.994 1.00 0.00 H new ATOM 844 N MET A 56 -3.037 2.090 -5.894 1.00 0.00 N ATOM 845 CA MET A 56 -3.187 1.970 -7.342 1.00 0.00 C ATOM 846 C MET A 56 -1.815 1.831 -8.011 1.00 0.00 C ATOM 847 O MET A 56 -0.795 2.170 -7.412 1.00 0.00 O ATOM 848 CB MET A 56 -3.897 3.199 -7.912 1.00 0.00 C ATOM 849 CG MET A 56 -5.402 3.082 -7.662 1.00 0.00 C ATOM 850 SD MET A 56 -6.301 3.965 -8.961 1.00 0.00 S ATOM 851 CE MET A 56 -7.761 2.897 -8.993 1.00 0.00 C ATOM 0 H MET A 56 -2.805 3.027 -5.565 1.00 0.00 H new ATOM 0 HA MET A 56 -3.784 1.081 -7.546 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.510 4.105 -7.445 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.701 3.282 -8.981 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.699 2.033 -7.648 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.652 3.497 -6.686 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.560 3.390 -9.546 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.511 1.954 -9.479 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.092 2.703 -7.973 1.00 0.00 H new ATOM 861 N PRO A 57 -1.769 1.333 -9.259 1.00 0.00 N ATOM 862 CA PRO A 57 -0.495 1.165 -9.981 1.00 0.00 C ATOM 863 C PRO A 57 0.004 2.467 -10.605 1.00 0.00 C ATOM 864 O PRO A 57 1.203 2.652 -10.814 1.00 0.00 O ATOM 865 CB PRO A 57 -0.862 0.152 -11.059 1.00 0.00 C ATOM 866 CG PRO A 57 -2.368 0.252 -11.273 1.00 0.00 C ATOM 867 CD PRO A 57 -2.964 0.910 -10.026 1.00 0.00 C ATOM 0 HA PRO A 57 0.318 0.850 -9.327 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.326 0.363 -11.985 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.583 -0.856 -10.752 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.591 0.842 -12.162 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.800 -0.736 -11.429 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.598 1.759 -10.283 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.580 0.212 -9.459 1.00 0.00 H new ATOM 875 N ASP A 58 -0.930 3.368 -10.899 1.00 0.00 N ATOM 876 CA ASP A 58 -0.576 4.652 -11.498 1.00 0.00 C ATOM 877 C ASP A 58 0.034 5.577 -10.449 1.00 0.00 C ATOM 878 O ASP A 58 0.907 6.391 -10.749 1.00 0.00 O ATOM 879 CB ASP A 58 -1.812 5.325 -12.095 1.00 0.00 C ATOM 880 CG ASP A 58 -2.904 5.421 -11.035 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.885 6.380 -10.280 1.00 0.00 O ATOM 882 OD2 ASP A 58 -3.741 4.535 -10.992 1.00 0.00 O ATOM 0 H ASP A 58 -1.928 3.235 -10.734 1.00 0.00 H new ATOM 0 HA ASP A 58 0.151 4.465 -12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.556 6.320 -12.460 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.171 4.754 -12.951 1.00 0.00 H new ATOM 887 N MET A 59 -0.437 5.440 -9.211 1.00 0.00 N ATOM 888 CA MET A 59 0.066 6.269 -8.118 1.00 0.00 C ATOM 889 C MET A 59 1.504 5.888 -7.779 1.00 0.00 C ATOM 890 O MET A 59 2.307 6.730 -7.379 1.00 0.00 O ATOM 891 CB MET A 59 -0.803 6.097 -6.872 1.00 0.00 C ATOM 892 CG MET A 59 -2.035 6.999 -6.978 1.00 0.00 C ATOM 893 SD MET A 59 -3.367 6.325 -5.956 1.00 0.00 S ATOM 894 CE MET A 59 -2.467 6.318 -4.386 1.00 0.00 C ATOM 0 H MET A 59 -1.158 4.771 -8.942 1.00 0.00 H new ATOM 0 HA MET A 59 0.033 7.309 -8.442 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.109 5.056 -6.771 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.231 6.349 -5.979 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.788 8.009 -6.652 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.359 7.069 -8.016 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.177 6.334 -3.559 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.855 5.418 -4.321 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.826 7.198 -4.330 1.00 0.00 H new ATOM 904 N VAL A 60 1.818 4.606 -7.941 1.00 0.00 N ATOM 905 CA VAL A 60 3.164 4.119 -7.648 1.00 0.00 C ATOM 906 C VAL A 60 4.064 4.282 -8.872 1.00 0.00 C ATOM 907 O VAL A 60 3.932 3.558 -9.858 1.00 0.00 O ATOM 908 CB VAL A 60 3.122 2.643 -7.244 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.512 2.191 -6.789 1.00 0.00 C ATOM 910 CG2 VAL A 60 2.129 2.460 -6.094 1.00 0.00 C ATOM 0 H VAL A 60 1.168 3.892 -8.270 1.00 0.00 H new ATOM 0 HA VAL A 60 3.567 4.706 -6.822 1.00 0.00 H new ATOM 0 HB VAL A 60 2.810 2.044 -8.100 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.477 1.140 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.222 2.321 -7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.828 2.790 -5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.097 1.410 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.444 3.062 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.137 2.778 -6.416 1.00 0.00 H new ATOM 920 N LYS A 61 4.980 5.243 -8.792 1.00 0.00 N ATOM 921 CA LYS A 61 5.901 5.498 -9.896 1.00 0.00 C ATOM 922 C LYS A 61 6.851 4.318 -10.080 1.00 0.00 C ATOM 923 O LYS A 61 7.564 3.926 -9.157 1.00 0.00 O ATOM 924 CB LYS A 61 6.722 6.761 -9.629 1.00 0.00 C ATOM 925 CG LYS A 61 5.982 7.979 -10.188 1.00 0.00 C ATOM 926 CD LYS A 61 6.998 9.025 -10.653 1.00 0.00 C ATOM 927 CE LYS A 61 6.273 10.146 -11.398 1.00 0.00 C ATOM 928 NZ LYS A 61 7.156 10.681 -12.473 1.00 0.00 N ATOM 0 H LYS A 61 5.104 5.852 -7.984 1.00 0.00 H new ATOM 0 HA LYS A 61 5.310 5.635 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.886 6.882 -8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.704 6.674 -10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.345 7.680 -11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.330 8.404 -9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.535 9.432 -9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.740 8.562 -11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.345 9.770 -11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.003 10.942 -10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.663 11.444 -12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.030 11.055 -12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.392 9.919 -13.140 1.00 0.00 H new ATOM 942 N GLY A 62 6.851 3.758 -11.286 1.00 0.00 N ATOM 943 CA GLY A 62 7.714 2.619 -11.587 1.00 0.00 C ATOM 944 C GLY A 62 6.894 1.339 -11.711 1.00 0.00 C ATOM 945 O GLY A 62 7.243 0.431 -12.466 1.00 0.00 O ATOM 0 H GLY A 62 6.270 4.070 -12.064 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.255 2.802 -12.516 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.460 2.504 -10.801 1.00 0.00 H new ATOM 949 N TYR A 63 5.797 1.278 -10.961 1.00 0.00 N ATOM 950 CA TYR A 63 4.926 0.107 -10.992 1.00 0.00 C ATOM 951 C TYR A 63 4.058 0.125 -12.246 1.00 0.00 C ATOM 952 O TYR A 63 3.293 1.061 -12.477 1.00 0.00 O ATOM 953 CB TYR A 63 4.024 0.083 -9.755 1.00 0.00 C ATOM 954 CG TYR A 63 3.277 -1.228 -9.696 1.00 0.00 C ATOM 955 CD1 TYR A 63 3.870 -2.357 -9.073 1.00 0.00 C ATOM 956 CD2 TYR A 63 1.979 -1.329 -10.266 1.00 0.00 C ATOM 957 CE1 TYR A 63 3.164 -3.590 -9.018 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.273 -2.560 -10.210 1.00 0.00 C ATOM 959 CZ TYR A 63 1.866 -3.692 -9.586 1.00 0.00 C ATOM 960 OH TYR A 63 1.180 -4.888 -9.532 1.00 0.00 O ATOM 0 H TYR A 63 5.492 2.019 -10.330 1.00 0.00 H new ATOM 0 HA TYR A 63 5.553 -0.785 -11.000 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.623 0.212 -8.854 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.319 0.913 -9.791 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.857 -2.280 -8.641 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.530 -0.470 -10.742 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.615 -4.449 -8.544 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.286 -2.636 -10.641 1.00 0.00 H new ATOM 0 HH TYR A 63 0.307 -4.784 -9.966 1.00 0.00 H new