USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 645 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 9 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.0652 (180deg=-0.62) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.1 (180deg=-0.539) USER MOD Single : A 2 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.37) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.174 F(o=-0.92,f=-0.17) USER MOD Single : A 6 TYR OH : rot 155:sc= 0.227 USER MOD Single : A 15 HIS : no HD1:sc= -4.37 K(o=-4.4,f=-5.5!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 150:sc= -0.436 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -145:sc= -0.28 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 165:sc= -0.042 USER MOD Single : A 59 SER OG : rot -25:sc= 0.204 USER MOD Single : A 62 CYS SG : rot -114:sc= -0.647 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 61:sc= 1.08 USER MOD Single : A 70 HIS : no HE2:sc= 0.485 K(o=0.48,f=-4.6!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 76 GLN : amide:sc= -0.358 K(o=-0.36,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.489 0.101 -13.118 1.00 0.00 N ATOM 2 CA MET A 1 8.639 0.808 -14.117 1.00 0.00 C ATOM 3 C MET A 1 7.173 0.673 -13.711 1.00 0.00 C ATOM 4 O MET A 1 6.338 1.474 -14.079 1.00 0.00 O ATOM 5 CB MET A 1 8.849 0.183 -15.496 1.00 0.00 C ATOM 6 CG MET A 1 10.276 0.464 -15.973 1.00 0.00 C ATOM 7 SD MET A 1 10.499 -0.189 -17.649 1.00 0.00 S ATOM 8 CE MET A 1 10.503 -1.952 -17.234 1.00 0.00 C ATOM 0 H1 MET A 1 10.477 0.407 -13.225 1.00 0.00 H new ATOM 0 H2 MET A 1 9.158 0.327 -12.158 1.00 0.00 H new ATOM 0 H3 MET A 1 9.426 -0.925 -13.273 1.00 0.00 H new ATOM 0 HA MET A 1 8.913 1.862 -14.154 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.675 -0.892 -15.450 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.130 0.592 -16.206 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.469 1.537 -15.962 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.994 0.004 -15.294 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.004 -2.511 -18.025 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.031 -2.103 -16.292 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.476 -2.305 -17.135 1.00 0.00 H new ATOM 20 N ASN A 2 6.861 -0.335 -12.946 1.00 0.00 N ATOM 21 CA ASN A 2 5.455 -0.537 -12.498 1.00 0.00 C ATOM 22 C ASN A 2 5.213 0.275 -11.225 1.00 0.00 C ATOM 23 O ASN A 2 4.115 0.324 -10.711 1.00 0.00 O ATOM 24 CB ASN A 2 5.237 -2.025 -12.207 1.00 0.00 C ATOM 25 CG ASN A 2 3.781 -2.268 -11.809 1.00 0.00 C ATOM 26 OD1 ASN A 2 3.473 -2.406 -10.643 1.00 0.00 O ATOM 27 ND2 ASN A 2 2.864 -2.331 -12.736 1.00 0.00 N ATOM 0 H ASN A 2 7.524 -1.033 -12.609 1.00 0.00 H new ATOM 0 HA ASN A 2 4.763 -0.209 -13.274 1.00 0.00 H new ATOM 0 HB2 ASN A 2 5.486 -2.617 -13.087 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.901 -2.349 -11.406 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.891 -2.496 -12.480 1.00 0.00 H new ATOM 0 HD22 ASN A 2 3.121 -2.215 -13.716 1.00 0.00 H new ATOM 34 N VAL A 3 6.235 0.910 -10.710 1.00 0.00 N ATOM 35 CA VAL A 3 6.068 1.718 -9.463 1.00 0.00 C ATOM 36 C VAL A 3 5.584 3.123 -9.812 1.00 0.00 C ATOM 37 O VAL A 3 5.885 3.647 -10.865 1.00 0.00 O ATOM 38 CB VAL A 3 7.408 1.812 -8.728 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.840 0.417 -8.278 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.471 2.399 -9.659 1.00 0.00 C ATOM 0 H VAL A 3 7.178 0.904 -11.099 1.00 0.00 H new ATOM 0 HA VAL A 3 5.332 1.233 -8.822 1.00 0.00 H new ATOM 0 HB VAL A 3 7.296 2.459 -7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.794 0.483 -7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.087 0.001 -7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.948 -0.229 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.422 2.463 -9.130 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.584 1.757 -10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.165 3.395 -9.978 1.00 0.00 H new ATOM 50 N ALA A 4 4.833 3.737 -8.927 1.00 0.00 N ATOM 51 CA ALA A 4 4.312 5.118 -9.183 1.00 0.00 C ATOM 52 C ALA A 4 4.844 6.066 -8.107 1.00 0.00 C ATOM 53 O ALA A 4 4.855 5.750 -6.935 1.00 0.00 O ATOM 54 CB ALA A 4 2.784 5.095 -9.135 1.00 0.00 C ATOM 0 H ALA A 4 4.557 3.336 -8.031 1.00 0.00 H new ATOM 0 HA ALA A 4 4.641 5.461 -10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.399 6.098 -9.321 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.406 4.414 -9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.456 4.757 -8.152 1.00 0.00 H new ATOM 60 N HIS A 5 5.297 7.224 -8.504 1.00 0.00 N ATOM 61 CA HIS A 5 5.846 8.198 -7.520 1.00 0.00 C ATOM 62 C HIS A 5 4.718 9.024 -6.903 1.00 0.00 C ATOM 63 O HIS A 5 3.735 9.333 -7.547 1.00 0.00 O ATOM 64 CB HIS A 5 6.816 9.136 -8.238 1.00 0.00 C ATOM 65 CG HIS A 5 7.979 8.343 -8.762 1.00 0.00 C ATOM 66 ND1 HIS A 5 8.306 7.014 -8.656 1.00 0.00 N flip ATOM 67 CD2 HIS A 5 8.987 8.922 -9.516 1.00 0.00 C flip ATOM 68 CE1 HIS A 5 9.498 6.769 -9.331 1.00 0.00 C flip ATOM 69 NE2 HIS A 5 9.866 7.952 -9.830 1.00 0.00 N flip ATOM 0 H HIS A 5 5.310 7.538 -9.474 1.00 0.00 H new ATOM 0 HA HIS A 5 6.360 7.653 -6.728 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.309 9.644 -9.058 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.167 9.908 -7.553 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.055 9.962 -9.800 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.014 5.826 -9.430 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.710 8.102 -10.382 1.00 0.00 H new ATOM 77 N TYR A 6 4.864 9.395 -5.659 1.00 0.00 N ATOM 78 CA TYR A 6 3.816 10.217 -4.991 1.00 0.00 C ATOM 79 C TYR A 6 4.457 11.020 -3.854 1.00 0.00 C ATOM 80 O TYR A 6 5.012 10.467 -2.926 1.00 0.00 O ATOM 81 CB TYR A 6 2.723 9.303 -4.436 1.00 0.00 C ATOM 82 CG TYR A 6 1.639 10.147 -3.808 1.00 0.00 C ATOM 83 CD1 TYR A 6 0.734 10.839 -4.622 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.538 10.237 -2.416 1.00 0.00 C ATOM 85 CE1 TYR A 6 -0.271 11.621 -4.042 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.534 11.019 -1.836 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.371 11.712 -2.649 1.00 0.00 C ATOM 88 OH TYR A 6 -1.362 12.482 -2.076 1.00 0.00 O ATOM 0 H TYR A 6 5.668 9.163 -5.075 1.00 0.00 H new ATOM 0 HA TYR A 6 3.370 10.903 -5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.306 8.689 -5.234 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.143 8.621 -3.697 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.812 10.769 -5.697 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.236 9.702 -1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.970 12.154 -4.669 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.457 11.088 -0.761 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.553 12.151 -1.174 1.00 0.00 H new ATOM 98 N ARG A 7 4.389 12.323 -3.934 1.00 0.00 N ATOM 99 CA ARG A 7 4.995 13.186 -2.879 1.00 0.00 C ATOM 100 C ARG A 7 6.470 12.826 -2.695 1.00 0.00 C ATOM 101 O ARG A 7 7.044 13.026 -1.645 1.00 0.00 O ATOM 102 CB ARG A 7 4.236 12.997 -1.564 1.00 0.00 C ATOM 103 CG ARG A 7 2.756 13.326 -1.787 1.00 0.00 C ATOM 104 CD ARG A 7 2.587 14.809 -2.163 1.00 0.00 C ATOM 105 NE ARG A 7 2.678 14.952 -3.646 1.00 0.00 N ATOM 106 CZ ARG A 7 2.881 16.125 -4.185 1.00 0.00 C ATOM 107 NH1 ARG A 7 2.993 17.183 -3.428 1.00 0.00 N ATOM 108 NH2 ARG A 7 2.970 16.238 -5.482 1.00 0.00 N ATOM 0 H ARG A 7 3.935 12.830 -4.693 1.00 0.00 H new ATOM 0 HA ARG A 7 4.926 14.231 -3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.344 11.971 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.653 13.645 -0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.352 12.695 -2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.188 13.106 -0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.625 15.179 -1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.358 15.409 -1.680 1.00 0.00 H new ATOM 0 HE ARG A 7 2.581 14.130 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.922 17.095 -2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.151 18.098 -3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.881 15.412 -6.073 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.128 17.153 -5.905 1.00 0.00 H new ATOM 122 N GLY A 8 7.093 12.311 -3.724 1.00 0.00 N ATOM 123 CA GLY A 8 8.539 11.951 -3.629 1.00 0.00 C ATOM 124 C GLY A 8 8.682 10.526 -3.096 1.00 0.00 C ATOM 125 O GLY A 8 9.777 10.044 -2.894 1.00 0.00 O ATOM 0 H GLY A 8 6.661 12.124 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.009 12.032 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.055 12.649 -2.970 1.00 0.00 H new ATOM 129 N TYR A 9 7.584 9.850 -2.871 1.00 0.00 N ATOM 130 CA TYR A 9 7.640 8.448 -2.349 1.00 0.00 C ATOM 131 C TYR A 9 7.259 7.470 -3.458 1.00 0.00 C ATOM 132 O TYR A 9 6.361 7.713 -4.237 1.00 0.00 O ATOM 133 CB TYR A 9 6.665 8.304 -1.181 1.00 0.00 C ATOM 134 CG TYR A 9 7.173 9.107 -0.009 1.00 0.00 C ATOM 135 CD1 TYR A 9 6.932 10.484 0.051 1.00 0.00 C ATOM 136 CD2 TYR A 9 7.888 8.476 1.017 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.404 11.232 1.136 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.361 9.224 2.103 1.00 0.00 C ATOM 139 CZ TYR A 9 8.119 10.601 2.161 1.00 0.00 C ATOM 140 OH TYR A 9 8.584 11.338 3.232 1.00 0.00 O ATOM 0 H TYR A 9 6.643 10.211 -3.027 1.00 0.00 H new ATOM 0 HA TYR A 9 8.652 8.227 -2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.674 8.652 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.565 7.255 -0.902 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.381 10.970 -0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.075 7.413 0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.217 12.295 1.182 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.912 8.738 2.895 1.00 0.00 H new ATOM 0 HH TYR A 9 9.058 10.748 3.854 1.00 0.00 H new ATOM 150 N GLU A 10 7.943 6.360 -3.530 1.00 0.00 N ATOM 151 CA GLU A 10 7.638 5.353 -4.584 1.00 0.00 C ATOM 152 C GLU A 10 6.592 4.374 -4.064 1.00 0.00 C ATOM 153 O GLU A 10 6.604 3.997 -2.909 1.00 0.00 O ATOM 154 CB GLU A 10 8.919 4.594 -4.932 1.00 0.00 C ATOM 155 CG GLU A 10 9.878 5.539 -5.657 1.00 0.00 C ATOM 156 CD GLU A 10 11.197 4.820 -5.934 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.317 3.669 -5.547 1.00 0.00 O ATOM 158 OE2 GLU A 10 12.067 5.432 -6.531 1.00 0.00 O ATOM 0 H GLU A 10 8.704 6.107 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 10 7.253 5.853 -5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.385 4.207 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.688 3.736 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.433 5.877 -6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.057 6.427 -5.051 1.00 0.00 H new ATOM 165 N ILE A 11 5.686 3.963 -4.915 1.00 0.00 N ATOM 166 CA ILE A 11 4.617 3.006 -4.499 1.00 0.00 C ATOM 167 C ILE A 11 4.657 1.784 -5.409 1.00 0.00 C ATOM 168 O ILE A 11 4.724 1.905 -6.616 1.00 0.00 O ATOM 169 CB ILE A 11 3.256 3.693 -4.615 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.214 4.885 -3.657 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.149 2.700 -4.246 1.00 0.00 C ATOM 172 CD1 ILE A 11 1.970 5.729 -3.937 1.00 0.00 C ATOM 0 H ILE A 11 5.642 4.254 -5.892 1.00 0.00 H new ATOM 0 HA ILE A 11 4.778 2.693 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 11 3.104 4.038 -5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.202 4.534 -2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.111 5.492 -3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.179 3.190 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.184 1.847 -4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.296 2.356 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.944 6.577 -3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.001 6.093 -4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.077 5.120 -3.794 1.00 0.00 H new ATOM 184 N GLU A 12 4.615 0.610 -4.835 1.00 0.00 N ATOM 185 CA GLU A 12 4.643 -0.649 -5.642 1.00 0.00 C ATOM 186 C GLU A 12 3.358 -1.440 -5.362 1.00 0.00 C ATOM 187 O GLU A 12 3.328 -2.274 -4.478 1.00 0.00 O ATOM 188 CB GLU A 12 5.849 -1.494 -5.228 1.00 0.00 C ATOM 189 CG GLU A 12 6.064 -2.599 -6.267 1.00 0.00 C ATOM 190 CD GLU A 12 7.306 -3.414 -5.904 1.00 0.00 C ATOM 191 OE1 GLU A 12 8.250 -2.826 -5.402 1.00 0.00 O ATOM 192 OE2 GLU A 12 7.291 -4.610 -6.137 1.00 0.00 O ATOM 0 H GLU A 12 4.562 0.467 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 12 4.715 -0.407 -6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.739 -0.869 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.683 -1.930 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.190 -3.249 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.181 -2.161 -7.258 1.00 0.00 H new ATOM 199 N PRO A 13 2.306 -1.176 -6.099 1.00 0.00 N ATOM 200 CA PRO A 13 0.993 -1.875 -5.917 1.00 0.00 C ATOM 201 C PRO A 13 1.114 -3.397 -6.064 1.00 0.00 C ATOM 202 O PRO A 13 1.948 -3.895 -6.791 1.00 0.00 O ATOM 203 CB PRO A 13 0.106 -1.284 -7.030 1.00 0.00 C ATOM 204 CG PRO A 13 0.740 0.023 -7.375 1.00 0.00 C ATOM 205 CD PRO A 13 2.238 -0.179 -7.180 1.00 0.00 C ATOM 0 HA PRO A 13 0.589 -1.723 -4.916 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.067 -1.945 -7.896 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.919 -1.147 -6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.514 0.308 -8.403 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.366 0.821 -6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.717 -0.539 -8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.737 0.750 -6.903 1.00 0.00 H new ATOM 213 N GLY A 14 0.288 -4.133 -5.372 1.00 0.00 N ATOM 214 CA GLY A 14 0.358 -5.617 -5.464 1.00 0.00 C ATOM 215 C GLY A 14 -0.769 -6.233 -4.636 1.00 0.00 C ATOM 216 O GLY A 14 -1.087 -5.772 -3.559 1.00 0.00 O ATOM 0 H GLY A 14 -0.432 -3.770 -4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.273 -5.932 -6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.324 -5.969 -5.102 1.00 0.00 H new ATOM 220 N HIS A 15 -1.383 -7.268 -5.144 1.00 0.00 N ATOM 221 CA HIS A 15 -2.502 -7.922 -4.405 1.00 0.00 C ATOM 222 C HIS A 15 -1.972 -9.106 -3.597 1.00 0.00 C ATOM 223 O HIS A 15 -1.373 -10.018 -4.131 1.00 0.00 O ATOM 224 CB HIS A 15 -3.543 -8.415 -5.412 1.00 0.00 C ATOM 225 CG HIS A 15 -2.916 -9.411 -6.354 1.00 0.00 C ATOM 226 ND1 HIS A 15 -2.283 -9.023 -7.526 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.829 -10.781 -6.317 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.850 -10.138 -8.141 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.156 -11.238 -7.447 1.00 0.00 N ATOM 0 H HIS A 15 -1.156 -7.691 -6.044 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.956 -7.203 -3.723 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.380 -8.875 -4.887 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.945 -7.572 -5.975 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.223 -11.408 -5.531 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.319 -10.144 -9.082 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.942 -12.205 -7.692 1.00 0.00 H new ATOM 237 N GLN A 16 -2.195 -9.101 -2.309 1.00 0.00 N ATOM 238 CA GLN A 16 -1.716 -10.228 -1.459 1.00 0.00 C ATOM 239 C GLN A 16 -2.661 -10.397 -0.272 1.00 0.00 C ATOM 240 O GLN A 16 -3.303 -9.459 0.157 1.00 0.00 O ATOM 241 CB GLN A 16 -0.304 -9.927 -0.951 1.00 0.00 C ATOM 242 CG GLN A 16 0.188 -11.094 -0.093 1.00 0.00 C ATOM 243 CD GLN A 16 1.634 -10.844 0.336 1.00 0.00 C ATOM 244 OE1 GLN A 16 1.920 -9.879 1.015 1.00 0.00 O ATOM 245 NE2 GLN A 16 2.562 -11.682 -0.034 1.00 0.00 N ATOM 0 H GLN A 16 -2.690 -8.362 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.697 -11.146 -2.047 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.371 -9.770 -1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.304 -9.007 -0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.448 -11.206 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.121 -12.025 -0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.320 -12.492 -0.604 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.530 -11.527 0.247 1.00 0.00 H new ATOM 254 N TYR A 17 -2.748 -11.590 0.261 1.00 0.00 N ATOM 255 CA TYR A 17 -3.649 -11.840 1.427 1.00 0.00 C ATOM 256 C TYR A 17 -2.814 -11.954 2.700 1.00 0.00 C ATOM 257 O TYR A 17 -1.756 -12.553 2.711 1.00 0.00 O ATOM 258 CB TYR A 17 -4.426 -13.138 1.196 1.00 0.00 C ATOM 259 CG TYR A 17 -3.494 -14.325 1.269 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.781 -14.731 0.134 1.00 0.00 C ATOM 261 CD2 TYR A 17 -3.351 -15.025 2.472 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.927 -15.838 0.203 1.00 0.00 C ATOM 263 CE2 TYR A 17 -2.496 -16.130 2.543 1.00 0.00 C ATOM 264 CZ TYR A 17 -1.784 -16.537 1.408 1.00 0.00 C ATOM 265 OH TYR A 17 -0.943 -17.630 1.476 1.00 0.00 O ATOM 0 H TYR A 17 -2.230 -12.406 -0.064 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.351 -11.013 1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.212 -13.238 1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.914 -13.109 0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.890 -14.190 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.901 -14.712 3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.379 -16.153 -0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.385 -16.669 3.472 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.959 -17.999 2.384 1.00 0.00 H new ATOM 275 N ARG A 18 -3.287 -11.376 3.772 1.00 0.00 N ATOM 276 CA ARG A 18 -2.534 -11.427 5.069 1.00 0.00 C ATOM 277 C ARG A 18 -3.167 -12.450 6.011 1.00 0.00 C ATOM 278 O ARG A 18 -4.370 -12.598 6.070 1.00 0.00 O ATOM 279 CB ARG A 18 -2.550 -10.047 5.725 1.00 0.00 C ATOM 280 CG ARG A 18 -1.642 -9.101 4.939 1.00 0.00 C ATOM 281 CD ARG A 18 -1.686 -7.711 5.572 1.00 0.00 C ATOM 282 NE ARG A 18 -0.782 -6.794 4.819 1.00 0.00 N ATOM 283 CZ ARG A 18 0.476 -6.663 5.164 1.00 0.00 C ATOM 284 NH1 ARG A 18 0.962 -7.357 6.160 1.00 0.00 N ATOM 285 NH2 ARG A 18 1.247 -5.842 4.509 1.00 0.00 N ATOM 0 H ARG A 18 -4.169 -10.866 3.809 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.505 -11.724 4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.567 -9.656 5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.211 -10.119 6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.620 -9.479 4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.965 -9.049 3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.706 -7.326 5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.379 -7.765 6.616 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.146 -6.263 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.362 -8.004 6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.941 -7.252 6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.872 -5.302 3.729 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.226 -5.739 4.776 1.00 0.00 H new ATOM 299 N ASP A 19 -2.360 -13.165 6.744 1.00 0.00 N ATOM 300 CA ASP A 19 -2.904 -14.183 7.684 1.00 0.00 C ATOM 301 C ASP A 19 -3.636 -13.477 8.830 1.00 0.00 C ATOM 302 O ASP A 19 -4.298 -14.102 9.634 1.00 0.00 O ATOM 303 CB ASP A 19 -1.747 -15.017 8.241 1.00 0.00 C ATOM 304 CG ASP A 19 -0.697 -14.089 8.856 1.00 0.00 C ATOM 305 OD1 ASP A 19 -1.004 -12.924 9.046 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.397 -14.560 9.125 1.00 0.00 O ATOM 0 H ASP A 19 -1.343 -13.087 6.732 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.604 -14.836 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.117 -15.714 8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.299 -15.614 7.446 1.00 0.00 H new ATOM 311 N ASP A 20 -3.522 -12.178 8.909 1.00 0.00 N ATOM 312 CA ASP A 20 -4.213 -11.426 9.997 1.00 0.00 C ATOM 313 C ASP A 20 -5.726 -11.487 9.782 1.00 0.00 C ATOM 314 O ASP A 20 -6.477 -11.859 10.663 1.00 0.00 O ATOM 315 CB ASP A 20 -3.757 -9.967 9.954 1.00 0.00 C ATOM 316 CG ASP A 20 -4.448 -9.173 11.064 1.00 0.00 C ATOM 317 OD1 ASP A 20 -5.320 -9.731 11.711 1.00 0.00 O ATOM 318 OD2 ASP A 20 -4.093 -8.022 11.247 1.00 0.00 O ATOM 0 H ASP A 20 -2.978 -11.603 8.265 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.968 -11.867 10.963 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.675 -9.911 10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.992 -9.532 8.983 1.00 0.00 H new ATOM 323 N ILE A 21 -6.171 -11.121 8.608 1.00 0.00 N ATOM 324 CA ILE A 21 -7.630 -11.138 8.283 1.00 0.00 C ATOM 325 C ILE A 21 -7.907 -12.286 7.311 1.00 0.00 C ATOM 326 O ILE A 21 -9.002 -12.428 6.805 1.00 0.00 O ATOM 327 CB ILE A 21 -8.037 -9.780 7.660 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.857 -9.161 6.886 1.00 0.00 C ATOM 329 CG2 ILE A 21 -8.471 -8.807 8.765 1.00 0.00 C ATOM 330 CD1 ILE A 21 -6.473 -10.053 5.707 1.00 0.00 C ATOM 0 H ILE A 21 -5.573 -10.805 7.845 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.217 -11.290 9.189 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.864 -9.956 6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.129 -8.168 6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.002 -9.036 7.551 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.756 -7.854 8.319 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.322 -9.224 9.304 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.644 -8.651 9.458 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.638 -9.605 5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.181 -11.037 6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.325 -10.155 5.035 1.00 0.00 H new ATOM 342 N ARG A 22 -6.919 -13.107 7.060 1.00 0.00 N ATOM 343 CA ARG A 22 -7.098 -14.263 6.134 1.00 0.00 C ATOM 344 C ARG A 22 -7.932 -13.842 4.921 1.00 0.00 C ATOM 345 O ARG A 22 -8.746 -14.595 4.428 1.00 0.00 O ATOM 346 CB ARG A 22 -7.792 -15.406 6.881 1.00 0.00 C ATOM 347 CG ARG A 22 -6.822 -15.989 7.912 1.00 0.00 C ATOM 348 CD ARG A 22 -7.509 -17.107 8.703 1.00 0.00 C ATOM 349 NE ARG A 22 -6.541 -17.684 9.681 1.00 0.00 N ATOM 350 CZ ARG A 22 -6.923 -18.619 10.511 1.00 0.00 C ATOM 351 NH1 ARG A 22 -8.152 -19.055 10.485 1.00 0.00 N ATOM 352 NH2 ARG A 22 -6.073 -19.119 11.365 1.00 0.00 N ATOM 0 H ARG A 22 -5.986 -13.023 7.463 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.123 -14.600 5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.692 -15.041 7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.105 -16.179 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.936 -16.378 7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.486 -15.205 8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.382 -16.715 9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.865 -17.883 8.025 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.578 -17.348 9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.817 -18.666 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.448 -19.785 11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.111 -18.780 11.385 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.370 -19.849 12.013 1.00 0.00 H new ATOM 366 N LYS A 23 -7.731 -12.640 4.434 1.00 0.00 N ATOM 367 CA LYS A 23 -8.507 -12.161 3.247 1.00 0.00 C ATOM 368 C LYS A 23 -7.594 -11.343 2.329 1.00 0.00 C ATOM 369 O LYS A 23 -6.427 -11.118 2.618 1.00 0.00 O ATOM 370 CB LYS A 23 -9.706 -11.300 3.712 1.00 0.00 C ATOM 371 CG LYS A 23 -10.945 -12.178 3.947 1.00 0.00 C ATOM 372 CD LYS A 23 -11.672 -12.422 2.622 1.00 0.00 C ATOM 373 CE LYS A 23 -12.914 -13.270 2.875 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.617 -13.496 1.585 1.00 0.00 N ATOM 0 H LYS A 23 -7.061 -11.969 4.809 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.886 -13.021 2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.448 -10.773 4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.928 -10.541 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.648 -13.129 4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.616 -11.692 4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.953 -11.472 2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.010 -12.927 1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.634 -14.223 3.323 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.575 -12.768 3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.466 -14.074 1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.895 -12.581 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.983 -13.991 0.926 1.00 0.00 H new ATOM 388 N TYR A 24 -8.128 -10.915 1.215 1.00 0.00 N ATOM 389 CA TYR A 24 -7.329 -10.128 0.240 1.00 0.00 C ATOM 390 C TYR A 24 -7.385 -8.649 0.607 1.00 0.00 C ATOM 391 O TYR A 24 -8.452 -8.074 0.766 1.00 0.00 O ATOM 392 CB TYR A 24 -7.929 -10.313 -1.153 1.00 0.00 C ATOM 393 CG TYR A 24 -7.780 -11.753 -1.576 1.00 0.00 C ATOM 394 CD1 TYR A 24 -8.743 -12.699 -1.204 1.00 0.00 C ATOM 395 CD2 TYR A 24 -6.675 -12.143 -2.341 1.00 0.00 C ATOM 396 CE1 TYR A 24 -8.600 -14.035 -1.596 1.00 0.00 C ATOM 397 CE2 TYR A 24 -6.532 -13.478 -2.734 1.00 0.00 C ATOM 398 CZ TYR A 24 -7.494 -14.424 -2.362 1.00 0.00 C ATOM 399 OH TYR A 24 -7.352 -15.741 -2.748 1.00 0.00 O ATOM 0 H TYR A 24 -9.096 -11.081 0.939 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.294 -10.470 0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.982 -10.031 -1.148 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.428 -9.659 -1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.596 -12.398 -0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.932 -11.413 -2.628 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.342 -14.765 -1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.679 -13.779 -3.325 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.532 -15.841 -3.275 1.00 0.00 H new ATOM 409 N VAL A 25 -6.238 -8.028 0.726 1.00 0.00 N ATOM 410 CA VAL A 25 -6.191 -6.578 1.077 1.00 0.00 C ATOM 411 C VAL A 25 -5.114 -5.890 0.227 1.00 0.00 C ATOM 412 O VAL A 25 -4.171 -6.517 -0.217 1.00 0.00 O ATOM 413 CB VAL A 25 -5.847 -6.429 2.574 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.131 -6.469 3.406 1.00 0.00 C ATOM 415 CG2 VAL A 25 -4.927 -7.577 3.003 1.00 0.00 C ATOM 0 H VAL A 25 -5.327 -8.468 0.594 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.158 -6.116 0.881 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.343 -5.476 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.884 -6.363 4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.786 -5.652 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.639 -7.420 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.684 -7.472 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.432 -8.529 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.010 -7.547 2.415 1.00 0.00 H new ATOM 425 N PRO A 26 -5.252 -4.606 0.008 1.00 0.00 N ATOM 426 CA PRO A 26 -4.268 -3.826 -0.796 1.00 0.00 C ATOM 427 C PRO A 26 -2.864 -3.909 -0.197 1.00 0.00 C ATOM 428 O PRO A 26 -2.599 -3.360 0.848 1.00 0.00 O ATOM 429 CB PRO A 26 -4.807 -2.377 -0.751 1.00 0.00 C ATOM 430 CG PRO A 26 -5.796 -2.348 0.375 1.00 0.00 C ATOM 431 CD PRO A 26 -6.352 -3.760 0.496 1.00 0.00 C ATOM 0 HA PRO A 26 -4.173 -4.207 -1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.000 -1.664 -0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.280 -2.105 -1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.318 -2.038 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.593 -1.633 0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.616 -4.000 1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.253 -3.889 -0.103 1.00 0.00 H new ATOM 439 N TYR A 27 -1.965 -4.588 -0.859 1.00 0.00 N ATOM 440 CA TYR A 27 -0.569 -4.711 -0.340 1.00 0.00 C ATOM 441 C TYR A 27 0.381 -3.962 -1.264 1.00 0.00 C ATOM 442 O TYR A 27 0.516 -4.290 -2.426 1.00 0.00 O ATOM 443 CB TYR A 27 -0.181 -6.191 -0.306 1.00 0.00 C ATOM 444 CG TYR A 27 1.236 -6.323 0.189 1.00 0.00 C ATOM 445 CD1 TYR A 27 1.487 -6.454 1.558 1.00 0.00 C ATOM 446 CD2 TYR A 27 2.299 -6.317 -0.721 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.802 -6.576 2.020 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.615 -6.439 -0.260 1.00 0.00 C ATOM 449 CZ TYR A 27 3.867 -6.570 1.110 1.00 0.00 C ATOM 450 OH TYR A 27 5.164 -6.690 1.566 1.00 0.00 O ATOM 0 H TYR A 27 -2.138 -5.066 -1.743 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.508 -4.288 0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.859 -6.742 0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.273 -6.626 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.666 -6.461 2.259 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.104 -6.218 -1.779 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.996 -6.675 3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.436 -6.432 -0.962 1.00 0.00 H new ATOM 0 HH TYR A 27 5.711 -7.132 0.884 1.00 0.00 H new ATOM 460 N ALA A 28 1.053 -2.960 -0.757 1.00 0.00 N ATOM 461 CA ALA A 28 2.011 -2.194 -1.617 1.00 0.00 C ATOM 462 C ALA A 28 3.218 -1.778 -0.783 1.00 0.00 C ATOM 463 O ALA A 28 3.132 -1.636 0.419 1.00 0.00 O ATOM 464 CB ALA A 28 1.323 -0.952 -2.185 1.00 0.00 C ATOM 0 H ALA A 28 0.982 -2.639 0.209 1.00 0.00 H new ATOM 0 HA ALA A 28 2.339 -2.826 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.026 -0.400 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.464 -1.254 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.988 -0.315 -1.366 1.00 0.00 H new ATOM 470 N LEU A 29 4.347 -1.591 -1.417 1.00 0.00 N ATOM 471 CA LEU A 29 5.580 -1.192 -0.670 1.00 0.00 C ATOM 472 C LEU A 29 5.839 0.297 -0.871 1.00 0.00 C ATOM 473 O LEU A 29 5.781 0.804 -1.972 1.00 0.00 O ATOM 474 CB LEU A 29 6.769 -1.988 -1.212 1.00 0.00 C ATOM 475 CG LEU A 29 6.534 -3.487 -0.989 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.658 -4.280 -1.662 1.00 0.00 C ATOM 477 CD2 LEU A 29 6.511 -3.800 0.519 1.00 0.00 C ATOM 0 H LEU A 29 4.469 -1.698 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 29 5.448 -1.396 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.900 -1.785 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.686 -1.676 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 29 5.575 -3.769 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.495 -5.346 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.664 -4.067 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.616 -3.992 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.344 -4.867 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.465 -3.517 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.708 -3.237 0.995 1.00 0.00 H new ATOM 489 N ILE A 30 6.132 0.998 0.196 1.00 0.00 N ATOM 490 CA ILE A 30 6.407 2.463 0.098 1.00 0.00 C ATOM 491 C ILE A 30 7.890 2.711 0.362 1.00 0.00 C ATOM 492 O ILE A 30 8.433 2.266 1.353 1.00 0.00 O ATOM 493 CB ILE A 30 5.572 3.201 1.145 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.086 3.014 0.823 1.00 0.00 C ATOM 495 CG2 ILE A 30 5.917 4.689 1.118 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.237 3.545 1.980 1.00 0.00 C ATOM 0 H ILE A 30 6.193 0.613 1.139 1.00 0.00 H new ATOM 0 HA ILE A 30 6.147 2.825 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 30 5.787 2.800 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.834 3.541 -0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.870 1.959 0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.321 5.214 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.976 4.821 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.700 5.095 0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.181 3.410 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.481 2.998 2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.444 4.605 2.127 1.00 0.00 H new ATOM 508 N ARG A 31 8.547 3.420 -0.521 1.00 0.00 N ATOM 509 CA ARG A 31 10.003 3.707 -0.337 1.00 0.00 C ATOM 510 C ARG A 31 10.280 5.170 -0.670 1.00 0.00 C ATOM 511 O ARG A 31 9.747 5.712 -1.618 1.00 0.00 O ATOM 512 CB ARG A 31 10.815 2.804 -1.265 1.00 0.00 C ATOM 513 CG ARG A 31 10.687 1.353 -0.792 1.00 0.00 C ATOM 514 CD ARG A 31 11.471 0.433 -1.729 1.00 0.00 C ATOM 515 NE ARG A 31 10.804 0.403 -3.062 1.00 0.00 N ATOM 516 CZ ARG A 31 11.316 -0.295 -4.042 1.00 0.00 C ATOM 517 NH1 ARG A 31 12.417 -0.972 -3.860 1.00 0.00 N ATOM 518 NH2 ARG A 31 10.723 -0.317 -5.203 1.00 0.00 N ATOM 0 H ARG A 31 8.135 3.815 -1.367 1.00 0.00 H new ATOM 0 HA ARG A 31 10.288 3.515 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.456 2.898 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.862 3.109 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.064 1.258 0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.638 1.058 -0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.497 0.787 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.521 -0.573 -1.312 1.00 0.00 H new ATOM 0 HE ARG A 31 9.943 0.930 -3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.880 -0.957 -2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.814 -1.516 -4.626 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.861 0.210 -5.346 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.121 -0.861 -5.969 1.00 0.00 H new ATOM 532 N LYS A 32 11.105 5.815 0.108 1.00 0.00 N ATOM 533 CA LYS A 32 11.420 7.248 -0.147 1.00 0.00 C ATOM 534 C LYS A 32 12.683 7.350 -1.004 1.00 0.00 C ATOM 535 O LYS A 32 13.667 6.678 -0.767 1.00 0.00 O ATOM 536 CB LYS A 32 11.630 7.955 1.191 1.00 0.00 C ATOM 537 CG LYS A 32 11.815 9.454 0.957 1.00 0.00 C ATOM 538 CD LYS A 32 11.871 10.177 2.303 1.00 0.00 C ATOM 539 CE LYS A 32 12.041 11.678 2.068 1.00 0.00 C ATOM 540 NZ LYS A 32 12.040 12.388 3.378 1.00 0.00 N ATOM 0 H LYS A 32 11.577 5.407 0.915 1.00 0.00 H new ATOM 0 HA LYS A 32 10.596 7.722 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.774 7.782 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.504 7.545 1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.732 9.635 0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.993 9.843 0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.958 9.988 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.700 9.795 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.974 11.871 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.234 12.052 1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.156 13.409 3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.139 12.213 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.825 12.038 3.963 1.00 0.00 H new ATOM 554 N VAL A 33 12.651 8.184 -2.004 1.00 0.00 N ATOM 555 CA VAL A 33 13.827 8.348 -2.903 1.00 0.00 C ATOM 556 C VAL A 33 15.022 8.895 -2.117 1.00 0.00 C ATOM 557 O VAL A 33 16.139 8.452 -2.285 1.00 0.00 O ATOM 558 CB VAL A 33 13.461 9.338 -4.009 1.00 0.00 C ATOM 559 CG1 VAL A 33 14.684 9.614 -4.882 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.338 8.754 -4.867 1.00 0.00 C ATOM 0 H VAL A 33 11.848 8.768 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 33 14.096 7.381 -3.328 1.00 0.00 H new ATOM 0 HB VAL A 33 13.125 10.272 -3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.418 10.320 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.480 10.037 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.028 8.682 -5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.078 9.460 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.671 7.818 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.463 8.567 -4.244 1.00 0.00 H new ATOM 570 N GLY A 34 14.800 9.870 -1.279 1.00 0.00 N ATOM 571 CA GLY A 34 15.927 10.463 -0.502 1.00 0.00 C ATOM 572 C GLY A 34 16.516 9.422 0.448 1.00 0.00 C ATOM 573 O GLY A 34 17.409 9.711 1.218 1.00 0.00 O ATOM 0 H GLY A 34 13.885 10.283 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.698 10.823 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.574 11.325 0.064 1.00 0.00 H new ATOM 577 N VAL A 35 16.029 8.209 0.404 1.00 0.00 N ATOM 578 CA VAL A 35 16.570 7.149 1.306 1.00 0.00 C ATOM 579 C VAL A 35 16.517 5.801 0.586 1.00 0.00 C ATOM 580 O VAL A 35 15.721 4.948 0.922 1.00 0.00 O ATOM 581 CB VAL A 35 15.717 7.074 2.578 1.00 0.00 C ATOM 582 CG1 VAL A 35 16.465 6.275 3.643 1.00 0.00 C ATOM 583 CG2 VAL A 35 15.442 8.483 3.103 1.00 0.00 C ATOM 0 H VAL A 35 15.279 7.907 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 35 17.600 7.387 1.571 1.00 0.00 H new ATOM 0 HB VAL A 35 14.771 6.585 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 35 15.860 6.220 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 35 16.657 5.268 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.412 6.766 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 35 14.836 8.423 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.386 8.977 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.908 9.056 2.345 1.00 0.00 H new ATOM 593 N PRO A 36 17.355 5.610 -0.397 1.00 0.00 N ATOM 594 CA PRO A 36 17.399 4.334 -1.166 1.00 0.00 C ATOM 595 C PRO A 36 17.626 3.135 -0.244 1.00 0.00 C ATOM 596 O PRO A 36 17.000 2.102 -0.376 1.00 0.00 O ATOM 597 CB PRO A 36 18.598 4.511 -2.119 1.00 0.00 C ATOM 598 CG PRO A 36 18.816 5.990 -2.212 1.00 0.00 C ATOM 599 CD PRO A 36 18.351 6.578 -0.877 1.00 0.00 C ATOM 0 HA PRO A 36 16.463 4.139 -1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 36 19.484 4.007 -1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.388 4.082 -3.099 1.00 0.00 H new ATOM 0 HG2 PRO A 36 19.867 6.218 -2.392 1.00 0.00 H new ATOM 0 HG3 PRO A 36 18.251 6.415 -3.042 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.179 6.682 -0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.916 7.569 -1.006 1.00 0.00 H new ATOM 607 N ASP A 37 18.535 3.277 0.682 1.00 0.00 N ATOM 608 CA ASP A 37 18.845 2.164 1.623 1.00 0.00 C ATOM 609 C ASP A 37 18.055 2.349 2.919 1.00 0.00 C ATOM 610 O ASP A 37 18.290 3.267 3.678 1.00 0.00 O ATOM 611 CB ASP A 37 20.345 2.167 1.920 1.00 0.00 C ATOM 612 CG ASP A 37 20.736 0.854 2.599 1.00 0.00 C ATOM 613 OD1 ASP A 37 19.990 -0.103 2.471 1.00 0.00 O ATOM 614 OD2 ASP A 37 21.775 0.827 3.235 1.00 0.00 O ATOM 0 H ASP A 37 19.081 4.126 0.828 1.00 0.00 H new ATOM 0 HA ASP A 37 18.564 1.211 1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 37 20.909 2.292 0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 37 20.597 3.010 2.563 1.00 0.00 H new ATOM 619 N ARG A 38 17.117 1.480 3.169 1.00 0.00 N ATOM 620 CA ARG A 38 16.300 1.589 4.406 1.00 0.00 C ATOM 621 C ARG A 38 15.492 0.305 4.577 1.00 0.00 C ATOM 622 O ARG A 38 15.762 -0.689 3.936 1.00 0.00 O ATOM 623 CB ARG A 38 15.353 2.796 4.305 1.00 0.00 C ATOM 624 CG ARG A 38 14.807 2.942 2.871 1.00 0.00 C ATOM 625 CD ARG A 38 13.925 1.739 2.502 1.00 0.00 C ATOM 626 NE ARG A 38 14.777 0.654 1.932 1.00 0.00 N ATOM 627 CZ ARG A 38 15.032 0.610 0.647 1.00 0.00 C ATOM 628 NH1 ARG A 38 14.564 1.535 -0.148 1.00 0.00 N ATOM 629 NH2 ARG A 38 15.758 -0.360 0.160 1.00 0.00 N ATOM 0 H ARG A 38 16.880 0.693 2.564 1.00 0.00 H new ATOM 0 HA ARG A 38 16.953 1.731 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 38 14.525 2.675 5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 38 15.882 3.705 4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.229 3.862 2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.635 3.022 2.167 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.398 1.377 3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.167 2.039 1.779 1.00 0.00 H new ATOM 0 HE ARG A 38 15.165 -0.060 2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.998 2.295 0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.764 1.498 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.126 -1.082 0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.957 -0.396 -0.840 1.00 0.00 H new ATOM 643 N THR A 39 14.502 0.324 5.432 1.00 0.00 N ATOM 644 CA THR A 39 13.651 -0.886 5.652 1.00 0.00 C ATOM 645 C THR A 39 12.235 -0.606 5.116 1.00 0.00 C ATOM 646 O THR A 39 11.431 0.002 5.796 1.00 0.00 O ATOM 647 CB THR A 39 13.575 -1.176 7.149 1.00 0.00 C ATOM 648 OG1 THR A 39 14.875 -1.491 7.624 1.00 0.00 O ATOM 649 CG2 THR A 39 12.639 -2.363 7.389 1.00 0.00 C ATOM 0 H THR A 39 14.243 1.135 5.994 1.00 0.00 H new ATOM 0 HA THR A 39 14.080 -1.743 5.133 1.00 0.00 H new ATOM 0 HB THR A 39 13.192 -0.303 7.678 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.836 -1.677 8.585 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.583 -2.572 8.457 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.644 -2.124 7.014 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.022 -3.240 6.867 1.00 0.00 H new ATOM 657 N PRO A 40 11.926 -1.037 3.913 1.00 0.00 N ATOM 658 CA PRO A 40 10.578 -0.811 3.303 1.00 0.00 C ATOM 659 C PRO A 40 9.449 -1.298 4.207 1.00 0.00 C ATOM 660 O PRO A 40 9.574 -2.302 4.879 1.00 0.00 O ATOM 661 CB PRO A 40 10.620 -1.633 2.004 1.00 0.00 C ATOM 662 CG PRO A 40 12.069 -1.743 1.664 1.00 0.00 C ATOM 663 CD PRO A 40 12.814 -1.771 2.997 1.00 0.00 C ATOM 0 HA PRO A 40 10.380 0.248 3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.172 -2.617 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.064 -1.140 1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.267 -2.647 1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.392 -0.899 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.985 -2.792 3.338 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.791 -1.294 2.919 1.00 0.00 H new ATOM 671 N ILE A 41 8.345 -0.589 4.223 1.00 0.00 N ATOM 672 CA ILE A 41 7.193 -0.991 5.080 1.00 0.00 C ATOM 673 C ILE A 41 5.945 -1.148 4.195 1.00 0.00 C ATOM 674 O ILE A 41 5.581 -0.236 3.475 1.00 0.00 O ATOM 675 CB ILE A 41 6.944 0.085 6.142 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.235 0.294 6.976 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.803 -0.380 7.058 1.00 0.00 C ATOM 678 CD1 ILE A 41 9.083 1.420 6.372 1.00 0.00 C ATOM 0 H ILE A 41 8.195 0.257 3.673 1.00 0.00 H new ATOM 0 HA ILE A 41 7.412 -1.936 5.577 1.00 0.00 H new ATOM 0 HB ILE A 41 6.672 1.026 5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.975 0.538 8.006 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.812 -0.630 7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.616 0.378 7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.900 -0.531 6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.082 -1.317 7.540 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.986 1.555 6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.358 1.160 5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.508 2.346 6.368 1.00 0.00 H new ATOM 690 N PRO A 42 5.290 -2.291 4.227 1.00 0.00 N ATOM 691 CA PRO A 42 4.080 -2.527 3.391 1.00 0.00 C ATOM 692 C PRO A 42 2.869 -1.735 3.887 1.00 0.00 C ATOM 693 O PRO A 42 2.676 -1.564 5.074 1.00 0.00 O ATOM 694 CB PRO A 42 3.847 -4.046 3.500 1.00 0.00 C ATOM 695 CG PRO A 42 4.474 -4.454 4.797 1.00 0.00 C ATOM 696 CD PRO A 42 5.616 -3.469 5.059 1.00 0.00 C ATOM 0 HA PRO A 42 4.220 -2.194 2.363 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.783 -4.282 3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.301 -4.574 2.661 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.744 -4.425 5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.849 -5.476 4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.677 -3.204 6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.580 -3.896 4.781 1.00 0.00 H new ATOM 704 N THR A 43 2.048 -1.260 2.981 1.00 0.00 N ATOM 705 CA THR A 43 0.835 -0.481 3.383 1.00 0.00 C ATOM 706 C THR A 43 -0.406 -1.340 3.158 1.00 0.00 C ATOM 707 O THR A 43 -0.533 -2.024 2.153 1.00 0.00 O ATOM 708 CB THR A 43 0.736 0.801 2.549 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.559 1.362 2.707 1.00 0.00 O ATOM 710 CG2 THR A 43 0.985 0.497 1.070 1.00 0.00 C ATOM 0 H THR A 43 2.167 -1.379 1.975 1.00 0.00 H new ATOM 0 HA THR A 43 0.909 -0.210 4.436 1.00 0.00 H new ATOM 0 HB THR A 43 1.492 1.508 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.841 1.776 1.865 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.911 1.418 0.492 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.981 0.071 0.949 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.240 -0.215 0.715 1.00 0.00 H new ATOM 718 N THR A 44 -1.313 -1.314 4.107 1.00 0.00 N ATOM 719 CA THR A 44 -2.565 -2.123 4.007 1.00 0.00 C ATOM 720 C THR A 44 -3.763 -1.227 4.303 1.00 0.00 C ATOM 721 O THR A 44 -3.620 -0.141 4.828 1.00 0.00 O ATOM 722 CB THR A 44 -2.522 -3.265 5.029 1.00 0.00 C ATOM 723 OG1 THR A 44 -2.916 -2.778 6.306 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.105 -3.832 5.115 1.00 0.00 C ATOM 0 H THR A 44 -1.235 -0.757 4.958 1.00 0.00 H new ATOM 0 HA THR A 44 -2.652 -2.539 3.003 1.00 0.00 H new ATOM 0 HB THR A 44 -3.206 -4.053 4.713 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.889 -3.510 6.958 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.081 -4.643 5.843 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.805 -4.212 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.417 -3.046 5.425 1.00 0.00 H new ATOM 732 N TYR A 45 -4.943 -1.680 3.973 1.00 0.00 N ATOM 733 CA TYR A 45 -6.169 -0.872 4.232 1.00 0.00 C ATOM 734 C TYR A 45 -7.282 -1.808 4.741 1.00 0.00 C ATOM 735 O TYR A 45 -7.782 -2.626 3.992 1.00 0.00 O ATOM 736 CB TYR A 45 -6.614 -0.216 2.923 1.00 0.00 C ATOM 737 CG TYR A 45 -7.561 0.922 3.224 1.00 0.00 C ATOM 738 CD1 TYR A 45 -7.073 2.096 3.811 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.922 0.803 2.923 1.00 0.00 C ATOM 740 CE1 TYR A 45 -7.947 3.151 4.095 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.796 1.858 3.206 1.00 0.00 C ATOM 742 CZ TYR A 45 -9.308 3.033 3.793 1.00 0.00 C ATOM 743 OH TYR A 45 -10.171 4.073 4.073 1.00 0.00 O ATOM 0 H TYR A 45 -5.111 -2.584 3.531 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.965 -0.103 4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.747 0.154 2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.104 -0.951 2.284 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.022 2.187 4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.298 -0.103 2.472 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.571 4.057 4.547 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.846 1.767 2.972 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.079 3.827 3.800 1.00 0.00 H new ATOM 753 N PRO A 46 -7.675 -1.712 5.998 1.00 0.00 N ATOM 754 CA PRO A 46 -8.743 -2.591 6.562 1.00 0.00 C ATOM 755 C PRO A 46 -9.957 -2.706 5.629 1.00 0.00 C ATOM 756 O PRO A 46 -10.945 -2.018 5.789 1.00 0.00 O ATOM 757 CB PRO A 46 -9.122 -1.906 7.885 1.00 0.00 C ATOM 758 CG PRO A 46 -7.892 -1.161 8.301 1.00 0.00 C ATOM 759 CD PRO A 46 -7.156 -0.774 7.013 1.00 0.00 C ATOM 0 HA PRO A 46 -8.398 -3.616 6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.967 -1.230 7.752 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.414 -2.637 8.639 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.153 -0.275 8.879 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.260 -1.781 8.937 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.356 0.261 6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.076 -0.870 7.128 1.00 0.00 H new ATOM 767 N GLU A 47 -9.889 -3.577 4.662 1.00 0.00 N ATOM 768 CA GLU A 47 -11.032 -3.746 3.725 1.00 0.00 C ATOM 769 C GLU A 47 -10.769 -4.956 2.829 1.00 0.00 C ATOM 770 O GLU A 47 -9.699 -5.105 2.277 1.00 0.00 O ATOM 771 CB GLU A 47 -11.188 -2.482 2.864 1.00 0.00 C ATOM 772 CG GLU A 47 -12.612 -2.412 2.299 1.00 0.00 C ATOM 773 CD GLU A 47 -12.841 -3.578 1.336 1.00 0.00 C ATOM 774 OE1 GLU A 47 -11.891 -3.978 0.683 1.00 0.00 O ATOM 775 OE2 GLU A 47 -13.960 -4.055 1.269 1.00 0.00 O ATOM 0 H GLU A 47 -9.088 -4.181 4.480 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.950 -3.904 4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.980 -1.595 3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.464 -2.494 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.338 -2.450 3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.762 -1.465 1.781 1.00 0.00 H new ATOM 782 N PHE A 48 -11.736 -5.822 2.683 1.00 0.00 N ATOM 783 CA PHE A 48 -11.544 -7.030 1.827 1.00 0.00 C ATOM 784 C PHE A 48 -12.166 -6.773 0.460 1.00 0.00 C ATOM 785 O PHE A 48 -13.326 -6.425 0.353 1.00 0.00 O ATOM 786 CB PHE A 48 -12.241 -8.226 2.485 1.00 0.00 C ATOM 787 CG PHE A 48 -11.979 -8.215 3.976 1.00 0.00 C ATOM 788 CD1 PHE A 48 -10.683 -8.013 4.467 1.00 0.00 C ATOM 789 CD2 PHE A 48 -13.042 -8.397 4.871 1.00 0.00 C ATOM 790 CE1 PHE A 48 -10.450 -7.994 5.845 1.00 0.00 C ATOM 791 CE2 PHE A 48 -12.808 -8.378 6.250 1.00 0.00 C ATOM 792 CZ PHE A 48 -11.512 -8.174 6.737 1.00 0.00 C ATOM 0 H PHE A 48 -12.654 -5.745 3.121 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.481 -7.242 1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.313 -8.184 2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.876 -9.156 2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.862 -7.872 3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.043 -8.552 4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.449 -7.840 6.221 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.627 -8.521 6.939 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.332 -8.156 7.802 1.00 0.00 H new ATOM 802 N TYR A 49 -11.399 -6.943 -0.585 1.00 0.00 N ATOM 803 CA TYR A 49 -11.931 -6.713 -1.965 1.00 0.00 C ATOM 804 C TYR A 49 -12.076 -8.054 -2.681 1.00 0.00 C ATOM 805 O TYR A 49 -12.949 -8.234 -3.504 1.00 0.00 O ATOM 806 CB TYR A 49 -10.953 -5.828 -2.736 1.00 0.00 C ATOM 807 CG TYR A 49 -10.995 -4.429 -2.170 1.00 0.00 C ATOM 808 CD1 TYR A 49 -11.996 -3.540 -2.580 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.035 -4.021 -1.238 1.00 0.00 C ATOM 810 CE1 TYR A 49 -12.036 -2.242 -2.056 1.00 0.00 C ATOM 811 CE2 TYR A 49 -10.075 -2.723 -0.714 1.00 0.00 C ATOM 812 CZ TYR A 49 -11.077 -1.834 -1.123 1.00 0.00 C ATOM 813 OH TYR A 49 -11.118 -0.555 -0.605 1.00 0.00 O ATOM 0 H TYR A 49 -10.422 -7.233 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.904 -6.224 -1.909 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.943 -6.232 -2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.215 -5.813 -3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -12.737 -3.855 -3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.263 -4.707 -0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.808 -1.556 -2.372 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.334 -2.408 0.005 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.547 -0.506 0.190 1.00 0.00 H new ATOM 823 N ASP A 50 -11.214 -8.987 -2.378 1.00 0.00 N ATOM 824 CA ASP A 50 -11.275 -10.324 -3.037 1.00 0.00 C ATOM 825 C ASP A 50 -11.032 -10.156 -4.537 1.00 0.00 C ATOM 826 O ASP A 50 -10.963 -11.122 -5.270 1.00 0.00 O ATOM 827 CB ASP A 50 -12.651 -10.963 -2.801 1.00 0.00 C ATOM 828 CG ASP A 50 -12.590 -12.463 -3.104 1.00 0.00 C ATOM 829 OD1 ASP A 50 -11.503 -13.015 -3.076 1.00 0.00 O ATOM 830 OD2 ASP A 50 -13.637 -13.036 -3.358 1.00 0.00 O ATOM 0 H ASP A 50 -10.463 -8.879 -1.696 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.509 -10.973 -2.613 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.963 -10.804 -1.769 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.397 -10.485 -3.436 1.00 0.00 H new ATOM 835 N LEU A 51 -10.897 -8.933 -4.996 1.00 0.00 N ATOM 836 CA LEU A 51 -10.654 -8.678 -6.451 1.00 0.00 C ATOM 837 C LEU A 51 -9.276 -8.047 -6.641 1.00 0.00 C ATOM 838 O LEU A 51 -8.911 -7.104 -5.967 1.00 0.00 O ATOM 839 CB LEU A 51 -11.732 -7.731 -6.978 1.00 0.00 C ATOM 840 CG LEU A 51 -13.112 -8.393 -6.864 1.00 0.00 C ATOM 841 CD1 LEU A 51 -14.188 -7.375 -7.252 1.00 0.00 C ATOM 842 CD2 LEU A 51 -13.199 -9.615 -7.798 1.00 0.00 C ATOM 0 H LEU A 51 -10.945 -8.094 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.692 -9.619 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.718 -6.800 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.527 -7.475 -8.017 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.266 -8.726 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.172 -7.838 -7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.136 -6.517 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.023 -7.044 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.183 -10.074 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.042 -9.297 -8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.434 -10.340 -7.521 1.00 0.00 H new ATOM 854 N GLU A 52 -8.511 -8.570 -7.555 1.00 0.00 N ATOM 855 CA GLU A 52 -7.152 -8.024 -7.812 1.00 0.00 C ATOM 856 C GLU A 52 -7.262 -6.629 -8.433 1.00 0.00 C ATOM 857 O GLU A 52 -6.491 -5.743 -8.121 1.00 0.00 O ATOM 858 CB GLU A 52 -6.416 -8.958 -8.776 1.00 0.00 C ATOM 859 CG GLU A 52 -5.010 -8.421 -9.040 1.00 0.00 C ATOM 860 CD GLU A 52 -4.239 -9.407 -9.920 1.00 0.00 C ATOM 861 OE1 GLU A 52 -4.690 -10.534 -10.047 1.00 0.00 O ATOM 862 OE2 GLU A 52 -3.212 -9.018 -10.449 1.00 0.00 O ATOM 0 H GLU A 52 -8.773 -9.362 -8.142 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.602 -7.952 -6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.359 -9.961 -8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.967 -9.037 -9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.067 -7.449 -9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.484 -8.272 -8.097 1.00 0.00 H new ATOM 869 N ALA A 53 -8.202 -6.429 -9.316 1.00 0.00 N ATOM 870 CA ALA A 53 -8.346 -5.094 -9.962 1.00 0.00 C ATOM 871 C ALA A 53 -8.590 -4.027 -8.894 1.00 0.00 C ATOM 872 O ALA A 53 -7.931 -3.007 -8.863 1.00 0.00 O ATOM 873 CB ALA A 53 -9.534 -5.126 -10.924 1.00 0.00 C ATOM 0 H ALA A 53 -8.876 -7.132 -9.618 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.433 -4.856 -10.508 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.644 -4.151 -11.399 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.364 -5.885 -11.688 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.443 -5.365 -10.372 1.00 0.00 H new ATOM 879 N ASP A 54 -9.531 -4.256 -8.021 1.00 0.00 N ATOM 880 CA ASP A 54 -9.819 -3.261 -6.952 1.00 0.00 C ATOM 881 C ASP A 54 -8.605 -3.136 -6.034 1.00 0.00 C ATOM 882 O ASP A 54 -8.256 -2.060 -5.599 1.00 0.00 O ATOM 883 CB ASP A 54 -11.020 -3.729 -6.132 1.00 0.00 C ATOM 884 CG ASP A 54 -12.296 -3.611 -6.968 1.00 0.00 C ATOM 885 OD1 ASP A 54 -12.232 -3.023 -8.036 1.00 0.00 O ATOM 886 OD2 ASP A 54 -13.316 -4.110 -6.524 1.00 0.00 O ATOM 0 H ASP A 54 -10.115 -5.092 -8.002 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.038 -2.295 -7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.876 -4.762 -5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.110 -3.128 -5.227 1.00 0.00 H new ATOM 891 N ALA A 55 -7.971 -4.233 -5.726 1.00 0.00 N ATOM 892 CA ALA A 55 -6.789 -4.192 -4.821 1.00 0.00 C ATOM 893 C ALA A 55 -5.703 -3.297 -5.421 1.00 0.00 C ATOM 894 O ALA A 55 -5.103 -2.494 -4.736 1.00 0.00 O ATOM 895 CB ALA A 55 -6.237 -5.607 -4.654 1.00 0.00 C ATOM 0 H ALA A 55 -8.223 -5.162 -6.065 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.091 -3.791 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.371 -5.584 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.006 -6.249 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.940 -5.999 -5.627 1.00 0.00 H new ATOM 901 N GLU A 56 -5.440 -3.438 -6.690 1.00 0.00 N ATOM 902 CA GLU A 56 -4.388 -2.605 -7.332 1.00 0.00 C ATOM 903 C GLU A 56 -4.822 -1.136 -7.357 1.00 0.00 C ATOM 904 O GLU A 56 -4.077 -0.254 -6.975 1.00 0.00 O ATOM 905 CB GLU A 56 -4.180 -3.094 -8.767 1.00 0.00 C ATOM 906 CG GLU A 56 -3.572 -4.501 -8.756 1.00 0.00 C ATOM 907 CD GLU A 56 -2.156 -4.446 -8.181 1.00 0.00 C ATOM 908 OE1 GLU A 56 -1.374 -3.642 -8.662 1.00 0.00 O ATOM 909 OE2 GLU A 56 -1.876 -5.211 -7.273 1.00 0.00 O ATOM 0 H GLU A 56 -5.910 -4.096 -7.311 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.461 -2.691 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.132 -3.104 -9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.523 -2.409 -9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.191 -5.171 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.549 -4.905 -9.768 1.00 0.00 H new ATOM 916 N ARG A 57 -6.018 -0.867 -7.808 1.00 0.00 N ATOM 917 CA ARG A 57 -6.500 0.543 -7.865 1.00 0.00 C ATOM 918 C ARG A 57 -6.617 1.105 -6.446 1.00 0.00 C ATOM 919 O ARG A 57 -6.213 2.218 -6.172 1.00 0.00 O ATOM 920 CB ARG A 57 -7.875 0.570 -8.539 1.00 0.00 C ATOM 921 CG ARG A 57 -8.344 2.019 -8.697 1.00 0.00 C ATOM 922 CD ARG A 57 -9.710 2.046 -9.390 1.00 0.00 C ATOM 923 NE ARG A 57 -10.729 1.410 -8.504 1.00 0.00 N ATOM 924 CZ ARG A 57 -11.957 1.244 -8.924 1.00 0.00 C ATOM 925 NH1 ARG A 57 -12.299 1.636 -10.121 1.00 0.00 N ATOM 926 NH2 ARG A 57 -12.841 0.688 -8.142 1.00 0.00 N ATOM 0 H ARG A 57 -6.683 -1.565 -8.140 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.795 1.150 -8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.822 0.086 -9.514 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.594 0.008 -7.943 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.411 2.498 -7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.618 2.585 -9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.997 3.074 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.658 1.516 -10.341 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.467 1.103 -7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.608 2.073 -10.731 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.257 1.505 -10.446 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.574 0.384 -7.206 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.799 0.557 -8.467 1.00 0.00 H new ATOM 940 N VAL A 58 -7.164 0.338 -5.547 1.00 0.00 N ATOM 941 CA VAL A 58 -7.315 0.806 -4.142 1.00 0.00 C ATOM 942 C VAL A 58 -5.935 0.961 -3.503 1.00 0.00 C ATOM 943 O VAL A 58 -5.676 1.911 -2.798 1.00 0.00 O ATOM 944 CB VAL A 58 -8.142 -0.215 -3.355 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.140 0.151 -1.871 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.584 -0.214 -3.879 1.00 0.00 C ATOM 0 H VAL A 58 -7.516 -0.602 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.824 1.770 -4.129 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.706 -1.206 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.730 -0.578 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.116 0.150 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.573 1.143 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.175 -0.940 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.016 0.779 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.587 -0.480 -4.936 1.00 0.00 H new ATOM 956 N SER A 59 -5.054 0.032 -3.734 1.00 0.00 N ATOM 957 CA SER A 59 -3.701 0.126 -3.128 1.00 0.00 C ATOM 958 C SER A 59 -3.069 1.468 -3.494 1.00 0.00 C ATOM 959 O SER A 59 -2.437 2.106 -2.674 1.00 0.00 O ATOM 960 CB SER A 59 -2.835 -1.013 -3.660 1.00 0.00 C ATOM 961 OG SER A 59 -2.775 -0.933 -5.077 1.00 0.00 O ATOM 0 H SER A 59 -5.213 -0.790 -4.317 1.00 0.00 H new ATOM 0 HA SER A 59 -3.777 0.051 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.832 -0.951 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.250 -1.974 -3.356 1.00 0.00 H new ATOM 0 HG SER A 59 -3.565 -0.460 -5.412 1.00 0.00 H new ATOM 967 N ILE A 60 -3.240 1.910 -4.706 1.00 0.00 N ATOM 968 CA ILE A 60 -2.656 3.218 -5.103 1.00 0.00 C ATOM 969 C ILE A 60 -3.331 4.340 -4.304 1.00 0.00 C ATOM 970 O ILE A 60 -2.680 5.232 -3.791 1.00 0.00 O ATOM 971 CB ILE A 60 -2.900 3.435 -6.598 1.00 0.00 C ATOM 972 CG1 ILE A 60 -2.067 2.427 -7.397 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.497 4.857 -6.989 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.528 2.424 -8.856 1.00 0.00 C ATOM 0 H ILE A 60 -3.758 1.423 -5.438 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.585 3.225 -4.899 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.958 3.292 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.010 2.686 -7.339 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.174 1.430 -6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.673 5.005 -8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.090 5.573 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.440 5.008 -6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.935 1.707 -9.423 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.580 2.144 -8.905 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.398 3.419 -9.281 1.00 0.00 H new ATOM 986 N ALA A 61 -4.633 4.299 -4.197 1.00 0.00 N ATOM 987 CA ALA A 61 -5.354 5.358 -3.440 1.00 0.00 C ATOM 988 C ALA A 61 -5.012 5.254 -1.955 1.00 0.00 C ATOM 989 O ALA A 61 -4.623 6.220 -1.330 1.00 0.00 O ATOM 990 CB ALA A 61 -6.860 5.166 -3.629 1.00 0.00 C ATOM 0 H ALA A 61 -5.227 3.576 -4.603 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.055 6.339 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.397 5.938 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.106 5.239 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.151 4.184 -3.256 1.00 0.00 H new ATOM 996 N CYS A 62 -5.146 4.086 -1.392 1.00 0.00 N ATOM 997 CA CYS A 62 -4.834 3.902 0.050 1.00 0.00 C ATOM 998 C CYS A 62 -3.365 4.239 0.295 1.00 0.00 C ATOM 999 O CYS A 62 -3.015 4.833 1.293 1.00 0.00 O ATOM 1000 CB CYS A 62 -5.088 2.442 0.435 1.00 0.00 C ATOM 1001 SG CYS A 62 -6.856 2.075 0.304 1.00 0.00 S ATOM 0 H CYS A 62 -5.461 3.244 -1.875 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.465 4.557 0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.520 1.780 -0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.743 2.259 1.453 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.336 1.823 1.486 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.505 3.866 -0.612 1.00 0.00 N ATOM 1008 CA ALA A 63 -1.057 4.160 -0.436 1.00 0.00 C ATOM 1009 C ALA A 63 -0.873 5.660 -0.209 1.00 0.00 C ATOM 1010 O ALA A 63 -0.094 6.080 0.624 1.00 0.00 O ATOM 1011 CB ALA A 63 -0.304 3.736 -1.695 1.00 0.00 C ATOM 0 H ALA A 63 -2.745 3.369 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.668 3.613 0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.758 3.949 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.443 2.668 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.688 4.289 -2.552 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.592 6.470 -0.934 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.470 7.941 -0.747 1.00 0.00 C ATOM 1019 C LYS A 64 -1.918 8.305 0.670 1.00 0.00 C ATOM 1020 O LYS A 64 -1.348 9.166 1.310 1.00 0.00 O ATOM 1021 CB LYS A 64 -2.361 8.658 -1.762 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.800 8.458 -3.171 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.715 9.148 -4.183 1.00 0.00 C ATOM 1024 CE LYS A 64 -2.160 8.949 -5.594 1.00 0.00 C ATOM 1025 NZ LYS A 64 -3.057 9.618 -6.578 1.00 0.00 N ATOM 0 H LYS A 64 -2.259 6.176 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.434 8.246 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.378 8.270 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.413 9.721 -1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.793 8.869 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.725 7.394 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.723 8.738 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.788 10.212 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.154 9.363 -5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.083 7.885 -5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.681 9.483 -7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.009 9.203 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.108 10.635 -6.366 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.944 7.661 1.157 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.446 7.973 2.527 1.00 0.00 C ATOM 1041 C ILE A 65 -2.358 7.658 3.559 1.00 0.00 C ATOM 1042 O ILE A 65 -2.095 8.440 4.451 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.675 7.109 2.816 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.691 7.260 1.679 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.314 7.531 4.138 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -6.017 8.733 1.432 1.00 0.00 C ATOM 0 H ILE A 65 -3.458 6.930 0.664 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.708 9.029 2.587 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.366 6.066 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.292 6.814 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.604 6.718 1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.188 6.910 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.593 7.409 4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.618 8.576 4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.740 8.814 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.437 9.169 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.106 9.267 1.161 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.726 6.522 3.444 1.00 0.00 N ATOM 1059 CA ILE A 66 -0.658 6.157 4.415 1.00 0.00 C ATOM 1060 C ILE A 66 0.500 7.155 4.273 1.00 0.00 C ATOM 1061 O ILE A 66 1.038 7.635 5.252 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.178 4.717 4.115 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -1.170 3.688 4.703 1.00 0.00 C ATOM 1064 CG2 ILE A 66 1.212 4.478 4.722 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.394 3.558 3.790 1.00 0.00 C ATOM 0 H ILE A 66 -1.905 5.829 2.717 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.036 6.196 5.437 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.126 4.595 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.681 2.720 4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.481 4.000 5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.535 3.460 4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.923 5.185 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.167 4.619 5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.087 2.831 4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.889 4.525 3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.077 3.225 2.802 1.00 0.00 H new ATOM 1077 N ILE A 67 0.884 7.468 3.067 1.00 0.00 N ATOM 1078 CA ILE A 67 2.003 8.430 2.869 1.00 0.00 C ATOM 1079 C ILE A 67 1.587 9.806 3.400 1.00 0.00 C ATOM 1080 O ILE A 67 2.339 10.472 4.084 1.00 0.00 O ATOM 1081 CB ILE A 67 2.311 8.529 1.374 1.00 0.00 C ATOM 1082 CG1 ILE A 67 2.889 7.195 0.893 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.328 9.647 1.128 1.00 0.00 C ATOM 1084 CD1 ILE A 67 2.881 7.154 -0.636 1.00 0.00 C ATOM 0 H ILE A 67 0.471 7.099 2.210 1.00 0.00 H new ATOM 0 HA ILE A 67 2.888 8.089 3.406 1.00 0.00 H new ATOM 0 HB ILE A 67 1.396 8.753 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.906 7.073 1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.302 6.368 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.544 9.714 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.917 10.595 1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.247 9.429 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.293 6.204 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.858 7.257 -0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.487 7.972 -1.025 1.00 0.00 H new ATOM 1096 N ASP A 68 0.391 10.226 3.093 1.00 0.00 N ATOM 1097 CA ASP A 68 -0.090 11.551 3.574 1.00 0.00 C ATOM 1098 C ASP A 68 -0.186 11.538 5.100 1.00 0.00 C ATOM 1099 O ASP A 68 0.167 12.493 5.764 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.475 11.822 2.984 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.347 12.130 1.491 1.00 0.00 C ATOM 1102 OD1 ASP A 68 -0.243 12.413 1.056 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -2.357 12.080 0.809 1.00 0.00 O ATOM 0 H ASP A 68 -0.278 9.705 2.526 1.00 0.00 H new ATOM 0 HA ASP A 68 0.606 12.329 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.120 10.956 3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.943 12.661 3.500 1.00 0.00 H new ATOM 1108 N SER A 69 -0.672 10.463 5.656 1.00 0.00 N ATOM 1109 CA SER A 69 -0.812 10.373 7.135 1.00 0.00 C ATOM 1110 C SER A 69 0.562 10.487 7.799 1.00 0.00 C ATOM 1111 O SER A 69 0.717 11.148 8.805 1.00 0.00 O ATOM 1112 CB SER A 69 -1.445 9.031 7.496 1.00 0.00 C ATOM 1113 OG SER A 69 -2.724 8.937 6.879 1.00 0.00 O ATOM 0 H SER A 69 -0.980 9.637 5.144 1.00 0.00 H new ATOM 0 HA SER A 69 -1.444 11.187 7.489 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.806 8.213 7.163 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.542 8.940 8.578 1.00 0.00 H new ATOM 0 HG SER A 69 -2.622 8.987 5.906 1.00 0.00 H new ATOM 1119 N HIS A 70 1.558 9.845 7.254 1.00 0.00 N ATOM 1120 CA HIS A 70 2.913 9.923 7.868 1.00 0.00 C ATOM 1121 C HIS A 70 3.390 11.374 7.866 1.00 0.00 C ATOM 1122 O HIS A 70 3.874 11.880 8.858 1.00 0.00 O ATOM 1123 CB HIS A 70 3.891 9.071 7.060 1.00 0.00 C ATOM 1124 CG HIS A 70 5.252 9.147 7.695 1.00 0.00 C ATOM 1125 ND1 HIS A 70 5.564 8.467 8.859 1.00 0.00 N ATOM 1126 CD2 HIS A 70 6.388 9.835 7.344 1.00 0.00 C ATOM 1127 CE1 HIS A 70 6.842 8.756 9.169 1.00 0.00 C ATOM 1128 NE2 HIS A 70 7.391 9.586 8.277 1.00 0.00 N ATOM 0 H HIS A 70 1.493 9.272 6.413 1.00 0.00 H new ATOM 0 HA HIS A 70 2.867 9.553 8.892 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.549 8.037 7.026 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.936 9.425 6.030 1.00 0.00 H new ATOM 0 HD1 HIS A 70 4.939 7.857 9.387 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.488 10.471 6.477 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.360 8.365 10.032 1.00 0.00 H new ATOM 1136 N LEU A 71 3.256 12.044 6.757 1.00 0.00 N ATOM 1137 CA LEU A 71 3.698 13.462 6.679 1.00 0.00 C ATOM 1138 C LEU A 71 2.840 14.312 7.618 1.00 0.00 C ATOM 1139 O LEU A 71 3.334 15.177 8.312 1.00 0.00 O ATOM 1140 CB LEU A 71 3.533 13.951 5.238 1.00 0.00 C ATOM 1141 CG LEU A 71 4.532 13.221 4.324 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.175 13.502 2.862 1.00 0.00 C ATOM 1143 CD2 LEU A 71 5.973 13.691 4.608 1.00 0.00 C ATOM 0 H LEU A 71 2.857 11.668 5.897 1.00 0.00 H new ATOM 0 HA LEU A 71 4.743 13.547 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.514 13.769 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.699 15.027 5.188 1.00 0.00 H new ATOM 0 HG LEU A 71 4.474 12.150 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.880 12.987 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.165 13.145 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.225 14.575 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.664 13.163 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.048 14.763 4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.227 13.480 5.647 1.00 0.00 H new ATOM 1155 N ASP A 72 1.559 14.069 7.639 1.00 0.00 N ATOM 1156 CA ASP A 72 0.659 14.854 8.525 1.00 0.00 C ATOM 1157 C ASP A 72 0.695 14.273 9.940 1.00 0.00 C ATOM 1158 O ASP A 72 1.210 14.878 10.859 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.770 14.773 7.989 1.00 0.00 C ATOM 1160 CG ASP A 72 -0.884 15.580 6.694 1.00 0.00 C ATOM 1161 OD1 ASP A 72 0.011 16.365 6.424 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -1.867 15.401 5.996 1.00 0.00 O ATOM 0 H ASP A 72 1.095 13.356 7.076 1.00 0.00 H new ATOM 0 HA ASP A 72 0.990 15.892 8.548 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.041 13.733 7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.469 15.158 8.731 1.00 0.00 H new ATOM 1167 N ARG A 73 0.138 13.106 10.118 1.00 0.00 N ATOM 1168 CA ARG A 73 0.116 12.477 11.468 1.00 0.00 C ATOM 1169 C ARG A 73 1.509 11.953 11.827 1.00 0.00 C ATOM 1170 O ARG A 73 2.263 11.525 10.975 1.00 0.00 O ATOM 1171 CB ARG A 73 -0.879 11.311 11.472 1.00 0.00 C ATOM 1172 CG ARG A 73 -2.300 11.846 11.260 1.00 0.00 C ATOM 1173 CD ARG A 73 -3.282 10.674 11.147 1.00 0.00 C ATOM 1174 NE ARG A 73 -3.331 9.937 12.442 1.00 0.00 N ATOM 1175 CZ ARG A 73 -4.035 8.839 12.553 1.00 0.00 C ATOM 1176 NH1 ARG A 73 -4.700 8.378 11.528 1.00 0.00 N ATOM 1177 NH2 ARG A 73 -4.073 8.204 13.693 1.00 0.00 N ATOM 0 H ARG A 73 -0.306 12.558 9.381 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.186 13.224 12.202 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.626 10.601 10.685 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.820 10.773 12.418 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.584 12.492 12.091 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.339 12.454 10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.275 11.042 10.888 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.972 10.003 10.346 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.813 10.290 13.246 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.672 8.874 10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.247 7.522 11.618 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.555 8.564 14.495 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.621 7.348 13.782 1.00 0.00 H new ATOM 1191 N HIS A 74 1.849 11.979 13.086 1.00 0.00 N ATOM 1192 CA HIS A 74 3.184 11.479 13.516 1.00 0.00 C ATOM 1193 C HIS A 74 3.155 9.951 13.557 1.00 0.00 C ATOM 1194 O HIS A 74 3.323 9.343 14.595 1.00 0.00 O ATOM 1195 CB HIS A 74 3.502 12.033 14.907 1.00 0.00 C ATOM 1196 CG HIS A 74 3.631 13.530 14.825 1.00 0.00 C ATOM 1197 ND1 HIS A 74 4.644 14.145 14.107 1.00 0.00 N ATOM 1198 CD2 HIS A 74 2.882 14.548 15.363 1.00 0.00 C ATOM 1199 CE1 HIS A 74 4.480 15.475 14.231 1.00 0.00 C ATOM 1200 NE2 HIS A 74 3.421 15.775 14.986 1.00 0.00 N ATOM 0 H HIS A 74 1.256 12.327 13.839 1.00 0.00 H new ATOM 0 HA HIS A 74 3.952 11.806 12.815 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.713 11.762 15.609 1.00 0.00 H new ATOM 0 HB3 HIS A 74 4.427 11.596 15.283 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.008 14.417 15.984 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.127 16.210 13.775 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.080 16.704 15.234 1.00 0.00 H new ATOM 1208 N ASP A 75 2.931 9.329 12.431 1.00 0.00 N ATOM 1209 CA ASP A 75 2.873 7.840 12.388 1.00 0.00 C ATOM 1210 C ASP A 75 4.279 7.275 12.176 1.00 0.00 C ATOM 1211 O ASP A 75 4.869 7.418 11.123 1.00 0.00 O ATOM 1212 CB ASP A 75 1.959 7.414 11.234 1.00 0.00 C ATOM 1213 CG ASP A 75 1.712 5.907 11.297 1.00 0.00 C ATOM 1214 OD1 ASP A 75 2.362 5.250 12.095 1.00 0.00 O ATOM 1215 OD2 ASP A 75 0.872 5.433 10.550 1.00 0.00 O ATOM 0 H ASP A 75 2.785 9.792 11.534 1.00 0.00 H new ATOM 0 HA ASP A 75 2.479 7.456 13.329 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.011 7.950 11.292 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.416 7.677 10.280 1.00 0.00 H new ATOM 1220 N GLN A 76 4.817 6.636 13.178 1.00 0.00 N ATOM 1221 CA GLN A 76 6.182 6.054 13.059 1.00 0.00 C ATOM 1222 C GLN A 76 6.153 4.877 12.081 1.00 0.00 C ATOM 1223 O GLN A 76 7.094 4.116 11.985 1.00 0.00 O ATOM 1224 CB GLN A 76 6.641 5.570 14.439 1.00 0.00 C ATOM 1225 CG GLN A 76 6.798 6.768 15.383 1.00 0.00 C ATOM 1226 CD GLN A 76 7.927 7.674 14.884 1.00 0.00 C ATOM 1227 OE1 GLN A 76 7.699 8.563 14.089 1.00 0.00 O ATOM 1228 NE2 GLN A 76 9.143 7.481 15.317 1.00 0.00 N ATOM 0 H GLN A 76 4.365 6.491 14.081 1.00 0.00 H new ATOM 0 HA GLN A 76 6.875 6.809 12.688 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.916 4.866 14.847 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.588 5.038 14.351 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.864 7.328 15.433 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.016 6.421 16.393 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.334 6.734 15.985 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.902 8.077 14.988 1.00 0.00 H new ATOM 1237 N GLY A 77 5.076 4.722 11.361 1.00 0.00 N ATOM 1238 CA GLY A 77 4.978 3.594 10.393 1.00 0.00 C ATOM 1239 C GLY A 77 6.083 3.717 9.346 1.00 0.00 C ATOM 1240 O GLY A 77 6.690 2.739 8.960 1.00 0.00 O ATOM 0 H GLY A 77 4.258 5.330 11.402 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.065 2.643 10.918 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.002 3.602 9.908 1.00 0.00 H new ATOM 1244 N LEU A 78 6.346 4.915 8.883 1.00 0.00 N ATOM 1245 CA LEU A 78 7.412 5.128 7.853 1.00 0.00 C ATOM 1246 C LEU A 78 8.569 5.913 8.482 1.00 0.00 C ATOM 1247 O LEU A 78 9.232 6.692 7.829 1.00 0.00 O ATOM 1248 CB LEU A 78 6.820 5.907 6.675 1.00 0.00 C ATOM 1249 CG LEU A 78 5.519 5.232 6.217 1.00 0.00 C ATOM 1250 CD1 LEU A 78 4.980 5.946 4.973 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.778 3.752 5.890 1.00 0.00 C ATOM 0 H LEU A 78 5.863 5.763 9.178 1.00 0.00 H new ATOM 0 HA LEU A 78 7.787 4.169 7.494 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.623 6.938 6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.534 5.941 5.852 1.00 0.00 H new ATOM 0 HG LEU A 78 4.785 5.295 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.057 5.466 4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.781 6.991 5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.718 5.890 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.849 3.283 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.518 3.680 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.151 3.243 6.779 1.00 0.00 H new ATOM 1263 N ALA A 79 8.810 5.705 9.750 1.00 0.00 N ATOM 1264 CA ALA A 79 9.919 6.425 10.438 1.00 0.00 C ATOM 1265 C ALA A 79 11.254 6.054 9.785 1.00 0.00 C ATOM 1266 O ALA A 79 12.130 6.880 9.631 1.00 0.00 O ATOM 1267 CB ALA A 79 9.948 6.006 11.910 1.00 0.00 C ATOM 0 H ALA A 79 8.282 5.063 10.341 1.00 0.00 H new ATOM 0 HA ALA A 79 9.761 7.501 10.359 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.757 6.528 12.421 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.998 6.261 12.380 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.110 4.930 11.979 1.00 0.00 H new ATOM 1273 N ASP A 80 11.411 4.816 9.414 1.00 0.00 N ATOM 1274 CA ASP A 80 12.684 4.372 8.780 1.00 0.00 C ATOM 1275 C ASP A 80 12.870 5.078 7.435 1.00 0.00 C ATOM 1276 O ASP A 80 13.975 5.382 7.033 1.00 0.00 O ATOM 1277 CB ASP A 80 12.630 2.863 8.553 1.00 0.00 C ATOM 1278 CG ASP A 80 12.756 2.133 9.892 1.00 0.00 C ATOM 1279 OD1 ASP A 80 13.136 2.771 10.860 1.00 0.00 O ATOM 1280 OD2 ASP A 80 12.467 0.949 9.925 1.00 0.00 O ATOM 0 H ASP A 80 10.707 4.086 9.523 1.00 0.00 H new ATOM 0 HA ASP A 80 13.519 4.621 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.692 2.592 8.068 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.435 2.557 7.885 1.00 0.00 H new ATOM 1285 N LEU A 81 11.801 5.326 6.730 1.00 0.00 N ATOM 1286 CA LEU A 81 11.919 5.994 5.403 1.00 0.00 C ATOM 1287 C LEU A 81 12.084 7.502 5.600 1.00 0.00 C ATOM 1288 O LEU A 81 12.257 8.242 4.654 1.00 0.00 O ATOM 1289 CB LEU A 81 10.650 5.719 4.590 1.00 0.00 C ATOM 1290 CG LEU A 81 10.341 4.216 4.605 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.065 3.946 3.799 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.513 3.437 3.990 1.00 0.00 C ATOM 0 H LEU A 81 10.850 5.095 7.016 1.00 0.00 H new ATOM 0 HA LEU A 81 12.788 5.605 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.811 6.277 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.782 6.063 3.564 1.00 0.00 H new ATOM 0 HG LEU A 81 10.195 3.890 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.847 2.878 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.232 4.491 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.208 4.276 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.288 2.371 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.666 3.763 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.418 3.624 4.568 1.00 0.00 H new ATOM 1304 N GLY A 82 12.038 7.961 6.820 1.00 0.00 N ATOM 1305 CA GLY A 82 12.198 9.419 7.074 1.00 0.00 C ATOM 1306 C GLY A 82 12.404 9.655 8.571 1.00 0.00 C ATOM 1307 O GLY A 82 13.471 10.123 8.933 1.00 0.00 O ATOM 1308 OXT GLY A 82 11.496 9.359 9.329 1.00 0.00 O ATOM 0 H GLY A 82 11.896 7.388 7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.049 9.806 6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.316 9.958 6.728 1.00 0.00 H new TER 1312 GLY A 82