USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 499 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 39 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 1.2: A 64 MET CE :methyl 177:sc= -0.587 (180deg=-0.591) USER MOD Set 2.1: A 14 CYS SG : rot 145:sc= 0.354 USER MOD Set 2.2: A 23 CYS SG : rot -22:sc= 0.949 USER MOD Set 2.3: A 26 CYS SG : rot -179:sc= -3.12! USER MOD Set 3.1: A 9 MET CE :methyl -166:sc=-0.00936 (180deg=0) USER MOD Set 3.2: A 11 GLN : amide:sc= 0.468 K(o=0.46,f=-7.5!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0251 (180deg=0) USER MOD Single : A 2 SER OG : rot 167:sc= 0.232 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -4:sc= 0.35 USER MOD Single : A 8 THR OG1 : rot 81:sc= 0.552 USER MOD Single : A 16 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.1) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0417 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.0586 (180deg=-0.375) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.002) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 THR OG1 : rot 49:sc= -0.933 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.336 -9.959 -14.770 1.00100.00 N ATOM 2 CA GLY A 1 -11.568 -10.987 -14.043 1.00100.00 C ATOM 3 C GLY A 1 -10.515 -11.561 -14.931 1.00100.00 C ATOM 4 O GLY A 1 -10.712 -11.769 -16.129 1.00100.00 O ATOM 0 H1 GLY A 1 -13.348 -10.063 -14.552 1.00100.00 H new ATOM 0 H2 GLY A 1 -12.014 -9.014 -14.478 1.00100.00 H new ATOM 0 H3 GLY A 1 -12.188 -10.074 -15.793 1.00100.00 H new ATOM 0 HA2 GLY A 1 -11.109 -10.550 -13.156 1.00100.00 H new ATOM 0 HA3 GLY A 1 -12.236 -11.777 -13.700 1.00100.00 H new ATOM 10 N SER A 2 -9.345 -11.792 -14.296 1.00100.00 N ATOM 11 CA SER A 2 -8.202 -12.343 -14.965 1.00100.00 C ATOM 12 C SER A 2 -7.713 -13.518 -14.182 1.00100.00 C ATOM 13 O SER A 2 -7.916 -13.602 -12.964 1.00100.00 O ATOM 14 CB SER A 2 -7.039 -11.334 -15.137 1.00100.00 C ATOM 15 OG SER A 2 -6.582 -10.913 -13.870 1.00100.00 O ATOM 0 H SER A 2 -9.192 -11.594 -13.307 1.00100.00 H new ATOM 0 HA SER A 2 -8.522 -12.627 -15.967 1.00100.00 H new ATOM 0 HB2 SER A 2 -6.223 -11.796 -15.693 1.00100.00 H new ATOM 0 HB3 SER A 2 -7.374 -10.474 -15.717 1.00100.00 H new ATOM 0 HG SER A 2 -5.724 -10.450 -13.969 1.00100.00 H new ATOM 21 N THR A 3 -7.066 -14.470 -14.891 1.00100.00 N ATOM 22 CA THR A 3 -6.538 -15.650 -14.269 1.00100.00 C ATOM 23 C THR A 3 -5.187 -15.268 -13.738 1.00100.00 C ATOM 24 O THR A 3 -4.145 -15.444 -14.370 1.00100.00 O ATOM 25 CB THR A 3 -6.473 -16.841 -15.202 1.00100.00 C ATOM 26 OG1 THR A 3 -7.761 -17.103 -15.713 1.00100.00 O ATOM 27 CG2 THR A 3 -5.971 -18.074 -14.453 1.00100.00 C ATOM 0 H THR A 3 -6.909 -14.420 -15.898 1.00100.00 H new ATOM 0 HA THR A 3 -7.199 -15.984 -13.469 1.00100.00 H new ATOM 0 HB THR A 3 -5.786 -16.615 -16.017 1.00100.00 H new ATOM 0 HG1 THR A 3 -7.722 -17.872 -16.319 1.00100.00 H new ATOM 0 HG21 THR A 3 -5.929 -18.923 -15.136 1.00100.00 H new ATOM 0 HG22 THR A 3 -4.975 -17.878 -14.056 1.00100.00 H new ATOM 0 HG23 THR A 3 -6.650 -18.302 -13.632 1.00100.00 H new ATOM 35 N ALA A 4 -5.231 -14.666 -12.537 1.00100.00 N ATOM 36 CA ALA A 4 -4.079 -14.220 -11.822 1.00100.00 C ATOM 37 C ALA A 4 -4.025 -15.109 -10.630 1.00100.00 C ATOM 38 O ALA A 4 -5.058 -15.468 -10.053 1.00100.00 O ATOM 39 CB ALA A 4 -4.191 -12.766 -11.319 1.00100.00 C ATOM 0 H ALA A 4 -6.105 -14.483 -12.045 1.00100.00 H new ATOM 0 HA ALA A 4 -3.204 -14.254 -12.471 1.00100.00 H new ATOM 0 HB1 ALA A 4 -3.280 -12.495 -10.785 1.00100.00 H new ATOM 0 HB2 ALA A 4 -4.327 -12.097 -12.168 1.00100.00 H new ATOM 0 HB3 ALA A 4 -5.045 -12.678 -10.648 1.00100.00 H new ATOM 45 N MET A 5 -2.786 -15.491 -10.251 1.00100.00 N ATOM 46 CA MET A 5 -2.578 -16.354 -9.123 1.00100.00 C ATOM 47 C MET A 5 -3.055 -15.702 -7.859 1.00100.00 C ATOM 48 O MET A 5 -2.978 -14.478 -7.708 1.00100.00 O ATOM 49 CB MET A 5 -1.104 -16.802 -8.953 1.00100.00 C ATOM 50 CG MET A 5 -0.209 -15.675 -8.432 1.00100.00 C ATOM 51 SD MET A 5 -0.096 -14.215 -9.499 1.00100.00 S ATOM 52 CE MET A 5 1.000 -13.201 -8.473 1.00100.00 C ATOM 0 H MET A 5 -1.930 -15.202 -10.725 1.00100.00 H new ATOM 0 HA MET A 5 -3.164 -17.251 -9.323 1.00100.00 H new ATOM 0 HB2 MET A 5 -1.060 -17.645 -8.264 1.00100.00 H new ATOM 0 HB3 MET A 5 -0.721 -17.153 -9.911 1.00100.00 H new ATOM 0 HG2 MET A 5 -0.579 -15.362 -7.455 1.00100.00 H new ATOM 0 HG3 MET A 5 0.795 -16.072 -8.281 1.00100.00 H new ATOM 0 HE1 MET A 5 1.187 -12.250 -8.971 1.00100.00 H new ATOM 0 HE2 MET A 5 0.529 -13.019 -7.507 1.00100.00 H new ATOM 0 HE3 MET A 5 1.944 -13.724 -8.323 1.00100.00 H new ATOM 62 N ALA A 6 -3.893 -16.486 -7.141 1.00100.00 N ATOM 63 CA ALA A 6 -4.530 -16.139 -5.896 1.00100.00 C ATOM 64 C ALA A 6 -5.405 -14.908 -6.007 1.00100.00 C ATOM 65 O ALA A 6 -5.607 -14.184 -5.030 1.00100.00 O ATOM 66 CB ALA A 6 -3.520 -16.001 -4.729 1.00100.00 C ATOM 0 H ALA A 6 -4.142 -17.425 -7.452 1.00100.00 H new ATOM 0 HA ALA A 6 -5.185 -16.978 -5.662 1.00100.00 H new ATOM 0 HB1 ALA A 6 -4.053 -15.739 -3.815 1.00100.00 H new ATOM 0 HB2 ALA A 6 -2.998 -16.947 -4.586 1.00100.00 H new ATOM 0 HB3 ALA A 6 -2.797 -15.220 -4.964 1.00100.00 H new ATOM 72 N THR A 7 -5.956 -14.672 -7.230 1.00100.00 N ATOM 73 CA THR A 7 -6.826 -13.577 -7.591 1.00100.00 C ATOM 74 C THR A 7 -6.264 -12.221 -7.207 1.00100.00 C ATOM 75 O THR A 7 -6.969 -11.358 -6.680 1.00100.00 O ATOM 76 CB THR A 7 -8.269 -13.783 -7.158 1.00100.00 C ATOM 77 OG1 THR A 7 -8.349 -13.838 -5.751 1.00100.00 O ATOM 78 CG2 THR A 7 -8.817 -15.080 -7.751 1.00100.00 C ATOM 0 H THR A 7 -5.778 -15.293 -8.019 1.00100.00 H new ATOM 0 HA THR A 7 -6.859 -13.577 -8.681 1.00100.00 H new ATOM 0 HB THR A 7 -8.864 -12.944 -7.520 1.00100.00 H new ATOM 0 HG1 THR A 7 -7.447 -13.798 -5.370 1.00100.00 H new ATOM 0 HG21 THR A 7 -9.851 -15.217 -7.434 1.00100.00 H new ATOM 0 HG22 THR A 7 -8.775 -15.029 -8.839 1.00100.00 H new ATOM 0 HG23 THR A 7 -8.217 -15.921 -7.404 1.00100.00 H new ATOM 86 N THR A 8 -4.946 -12.025 -7.466 1.00100.00 N ATOM 87 CA THR A 8 -4.247 -10.796 -7.163 1.00100.00 C ATOM 88 C THR A 8 -4.690 -9.755 -8.161 1.00100.00 C ATOM 89 O THR A 8 -4.854 -10.044 -9.349 1.00100.00 O ATOM 90 CB THR A 8 -2.741 -10.983 -7.180 1.00100.00 C ATOM 91 OG1 THR A 8 -2.392 -11.975 -6.239 1.00100.00 O ATOM 92 CG2 THR A 8 -2.020 -9.684 -6.827 1.00100.00 C ATOM 0 H THR A 8 -4.353 -12.735 -7.895 1.00100.00 H new ATOM 0 HA THR A 8 -4.494 -10.472 -6.152 1.00100.00 H new ATOM 0 HB THR A 8 -2.440 -11.282 -8.184 1.00100.00 H new ATOM 0 HG1 THR A 8 -2.535 -12.862 -6.630 1.00100.00 H new ATOM 0 HG21 THR A 8 -0.943 -9.849 -6.847 1.00100.00 H new ATOM 0 HG22 THR A 8 -2.283 -8.913 -7.552 1.00100.00 H new ATOM 0 HG23 THR A 8 -2.319 -9.361 -5.830 1.00100.00 H new ATOM 100 N MET A 9 -4.914 -8.512 -7.666 1.00100.00 N ATOM 101 CA MET A 9 -5.353 -7.429 -8.503 1.00100.00 C ATOM 102 C MET A 9 -4.146 -6.936 -9.253 1.00100.00 C ATOM 103 O MET A 9 -3.046 -6.832 -8.709 1.00100.00 O ATOM 104 CB MET A 9 -5.985 -6.260 -7.722 1.00100.00 C ATOM 105 CG MET A 9 -6.788 -5.393 -8.690 1.00100.00 C ATOM 106 SD MET A 9 -8.224 -6.256 -9.383 1.00100.00 S ATOM 107 CE MET A 9 -8.798 -4.999 -10.551 1.00100.00 C ATOM 0 H MET A 9 -4.790 -8.261 -6.685 1.00100.00 H new ATOM 0 HA MET A 9 -6.135 -7.802 -9.165 1.00100.00 H new ATOM 0 HB2 MET A 9 -6.632 -6.641 -6.932 1.00100.00 H new ATOM 0 HB3 MET A 9 -5.209 -5.666 -7.239 1.00100.00 H new ATOM 0 HG2 MET A 9 -7.125 -4.495 -8.172 1.00100.00 H new ATOM 0 HG3 MET A 9 -6.139 -5.067 -9.503 1.00100.00 H new ATOM 0 HE1 MET A 9 -9.805 -5.247 -10.886 1.00100.00 H new ATOM 0 HE2 MET A 9 -8.808 -4.025 -10.062 1.00100.00 H new ATOM 0 HE3 MET A 9 -8.127 -4.967 -11.410 1.00100.00 H new ATOM 117 N GLU A 10 -4.322 -6.814 -10.582 1.00100.00 N ATOM 118 CA GLU A 10 -3.299 -6.409 -11.505 1.00100.00 C ATOM 119 C GLU A 10 -2.724 -5.038 -11.345 1.00100.00 C ATOM 120 O GLU A 10 -1.501 -4.904 -11.440 1.00100.00 O ATOM 121 CB GLU A 10 -3.744 -6.559 -12.968 1.00100.00 C ATOM 122 CG GLU A 10 -4.173 -7.999 -13.250 1.00100.00 C ATOM 123 CD GLU A 10 -4.569 -8.190 -14.710 1.00100.00 C ATOM 124 OE1 GLU A 10 -5.046 -7.201 -15.310 1.00100.00 O1- ATOM 125 OE2 GLU A 10 -4.392 -9.326 -15.199 1.00100.00 O ATOM 0 H GLU A 10 -5.215 -7.005 -11.036 1.00100.00 H new ATOM 0 HA GLU A 10 -2.501 -7.104 -11.243 1.00100.00 H new ATOM 0 HB2 GLU A 10 -4.571 -5.879 -13.175 1.00100.00 H new ATOM 0 HB3 GLU A 10 -2.927 -6.279 -13.634 1.00100.00 H new ATOM 0 HG2 GLU A 10 -3.357 -8.678 -13.002 1.00100.00 H new ATOM 0 HG3 GLU A 10 -5.013 -8.262 -12.607 1.00100.00 H new ATOM 132 N GLN A 11 -3.562 -4.003 -11.073 1.00100.00 N ATOM 133 CA GLN A 11 -3.024 -2.664 -10.964 1.00100.00 C ATOM 134 C GLN A 11 -2.206 -2.450 -9.728 1.00100.00 C ATOM 135 O GLN A 11 -2.342 -3.145 -8.716 1.00100.00 O ATOM 136 CB GLN A 11 -4.002 -1.461 -11.076 1.00100.00 C ATOM 137 CG GLN A 11 -5.097 -1.527 -10.013 1.00100.00 C ATOM 138 CD GLN A 11 -6.369 -2.168 -10.547 1.00100.00 C ATOM 139 OE1 GLN A 11 -6.316 -3.165 -11.262 1.00100.00 O ATOM 140 NE2 GLN A 11 -7.520 -1.589 -10.196 1.00100.00 N ATOM 0 H GLN A 11 -4.569 -4.084 -10.934 1.00100.00 H new ATOM 0 HA GLN A 11 -2.417 -2.653 -11.869 1.00100.00 H new ATOM 0 HB2 GLN A 11 -3.447 -0.529 -10.970 1.00100.00 H new ATOM 0 HB3 GLN A 11 -4.456 -1.451 -12.067 1.00100.00 H new ATOM 0 HG2 GLN A 11 -4.737 -2.095 -9.156 1.00100.00 H new ATOM 0 HG3 GLN A 11 -5.319 -0.521 -9.658 1.00100.00 H new ATOM 0 HE21 GLN A 11 -7.514 -0.762 -9.600 1.00100.00 H new ATOM 0 HE22 GLN A 11 -8.406 -1.974 -10.524 1.00100.00 H new ATOM 149 N GLU A 12 -1.323 -1.433 -9.824 1.00100.00 N ATOM 150 CA GLU A 12 -0.425 -1.060 -8.775 1.00100.00 C ATOM 151 C GLU A 12 -1.156 -0.190 -7.780 1.00100.00 C ATOM 152 O GLU A 12 -1.177 1.038 -7.861 1.00100.00 O ATOM 153 CB GLU A 12 0.843 -0.372 -9.332 1.00100.00 C ATOM 154 CG GLU A 12 1.542 -1.197 -10.410 1.00100.00 C ATOM 155 CD GLU A 12 2.900 -0.604 -10.761 1.00100.00 C ATOM 156 OE1 GLU A 12 3.034 0.636 -10.655 1.00100.00 O ATOM 157 OE2 GLU A 12 3.789 -1.403 -11.126 1.00100.00 O1- ATOM 0 H GLU A 12 -1.234 -0.854 -10.659 1.00100.00 H new ATOM 0 HA GLU A 12 -0.080 -1.958 -8.262 1.00100.00 H new ATOM 0 HB2 GLU A 12 0.571 0.600 -9.744 1.00100.00 H new ATOM 0 HB3 GLU A 12 1.539 -0.188 -8.514 1.00100.00 H new ATOM 0 HG2 GLU A 12 1.668 -2.222 -10.062 1.00100.00 H new ATOM 0 HG3 GLU A 12 0.918 -1.238 -11.303 1.00100.00 H new ATOM 164 N ILE A 13 -1.800 -0.881 -6.811 1.00100.00 N ATOM 165 CA ILE A 13 -2.597 -0.291 -5.764 1.00100.00 C ATOM 166 C ILE A 13 -1.925 0.217 -4.516 1.00100.00 C ATOM 167 O ILE A 13 -2.590 0.907 -3.738 1.00100.00 O ATOM 168 CB ILE A 13 -3.798 -1.142 -5.350 1.00100.00 C ATOM 169 CG1 ILE A 13 -3.421 -2.531 -4.821 1.00100.00 C ATOM 170 CG2 ILE A 13 -4.696 -1.348 -6.565 1.00100.00 C ATOM 171 CD1 ILE A 13 -2.783 -2.478 -3.434 1.00100.00 C ATOM 0 H ILE A 13 -1.764 -1.899 -6.754 1.00100.00 H new ATOM 0 HA ILE A 13 -2.903 0.608 -6.299 1.00100.00 H new ATOM 0 HB ILE A 13 -4.292 -0.601 -4.543 1.00100.00 H new ATOM 0 HG12 ILE A 13 -4.313 -3.156 -4.783 1.00100.00 H new ATOM 0 HG13 ILE A 13 -2.729 -3.005 -5.517 1.00100.00 H new ATOM 0 HG21 ILE A 13 -5.557 -1.954 -6.283 1.00100.00 H new ATOM 0 HG22 ILE A 13 -5.038 -0.381 -6.933 1.00100.00 H new ATOM 0 HG23 ILE A 13 -4.136 -1.857 -7.349 1.00100.00 H new ATOM 0 HD11 ILE A 13 -2.536 -3.488 -3.108 1.00100.00 H new ATOM 0 HD12 ILE A 13 -1.874 -1.878 -3.474 1.00100.00 H new ATOM 0 HD13 ILE A 13 -3.483 -2.030 -2.728 1.00100.00 H new ATOM 183 N CYS A 14 -0.621 -0.081 -4.283 1.00100.00 N ATOM 184 CA CYS A 14 0.070 0.378 -3.090 1.00100.00 C ATOM 185 C CYS A 14 0.139 1.877 -3.106 1.00100.00 C ATOM 186 O CYS A 14 0.224 2.509 -4.161 1.00100.00 O ATOM 187 CB CYS A 14 1.477 -0.215 -2.845 1.00100.00 C ATOM 188 SG CYS A 14 2.109 0.254 -1.214 1.00100.00 S ATOM 0 H CYS A 14 -0.044 -0.637 -4.915 1.00100.00 H new ATOM 0 HA CYS A 14 -0.525 0.007 -2.256 1.00100.00 H new ATOM 0 HB2 CYS A 14 1.436 -1.301 -2.923 1.00100.00 H new ATOM 0 HB3 CYS A 14 2.162 0.135 -3.618 1.00100.00 H new ATOM 0 HG CYS A 14 2.815 -0.722 -0.725 1.00100.00 H new ATOM 193 N ALA A 15 0.091 2.457 -1.886 1.00100.00 N ATOM 194 CA ALA A 15 0.075 3.876 -1.640 1.00100.00 C ATOM 195 C ALA A 15 1.280 4.581 -2.179 1.00100.00 C ATOM 196 O ALA A 15 1.140 5.657 -2.764 1.00100.00 O ATOM 197 CB ALA A 15 -0.006 4.194 -0.138 1.00100.00 C ATOM 0 H ALA A 15 0.062 1.909 -1.026 1.00100.00 H new ATOM 0 HA ALA A 15 -0.814 4.234 -2.159 1.00100.00 H new ATOM 0 HB1 ALA A 15 -0.016 5.275 0.005 1.00100.00 H new ATOM 0 HB2 ALA A 15 -0.918 3.765 0.276 1.00100.00 H new ATOM 0 HB3 ALA A 15 0.859 3.768 0.371 1.00100.00 H new ATOM 203 N HIS A 16 2.477 3.976 -2.004 1.00100.00 N ATOM 204 CA HIS A 16 3.712 4.540 -2.478 1.00100.00 C ATOM 205 C HIS A 16 3.760 4.669 -3.976 1.00100.00 C ATOM 206 O HIS A 16 4.233 5.709 -4.438 1.00100.00 O ATOM 207 CB HIS A 16 4.942 3.764 -2.008 1.00100.00 C ATOM 208 CG HIS A 16 5.187 3.856 -0.530 1.00100.00 C ATOM 209 ND1 HIS A 16 4.430 3.273 0.458 1.00100.00 N ATOM 210 CD2 HIS A 16 6.223 4.520 0.070 1.00100.00 C ATOM 211 CE1 HIS A 16 5.005 3.587 1.634 1.00100.00 C ATOM 212 NE2 HIS A 16 6.099 4.345 1.450 1.00100.00 N ATOM 0 H HIS A 16 2.589 3.082 -1.526 1.00100.00 H new ATOM 0 HA HIS A 16 3.739 5.537 -2.039 1.00100.00 H new ATOM 0 HB2 HIS A 16 4.826 2.716 -2.283 1.00100.00 H new ATOM 0 HB3 HIS A 16 5.819 4.137 -2.536 1.00100.00 H new ATOM 0 HD2 HIS A 16 6.998 5.079 -0.434 1.00100.00 H new ATOM 0 HE1 HIS A 16 4.636 3.271 2.598 1.00100.00 H new ATOM 0 HE2 HIS A 16 6.715 4.718 2.173 1.00100.00 H new ATOM 219 N SER A 17 3.275 3.626 -4.732 1.00100.00 N ATOM 220 CA SER A 17 3.247 3.601 -6.190 1.00100.00 C ATOM 221 C SER A 17 3.030 2.222 -6.758 1.00100.00 C ATOM 222 O SER A 17 2.165 2.041 -7.611 1.00100.00 O ATOM 223 CB SER A 17 4.535 4.099 -6.913 1.00100.00 C ATOM 224 OG SER A 17 5.665 3.389 -6.455 1.00100.00 O ATOM 0 H SER A 17 2.893 2.779 -4.312 1.00100.00 H new ATOM 0 HA SER A 17 2.419 4.284 -6.378 1.00100.00 H new ATOM 0 HB2 SER A 17 4.428 3.968 -7.990 1.00100.00 H new ATOM 0 HB3 SER A 17 4.671 5.165 -6.733 1.00100.00 H new ATOM 0 HG SER A 17 6.465 3.712 -6.920 1.00100.00 H new ATOM 230 N MET A 18 3.793 1.222 -6.258 1.00100.00 N ATOM 231 CA MET A 18 3.765 -0.140 -6.744 1.00100.00 C ATOM 232 C MET A 18 2.644 -1.006 -6.239 1.00100.00 C ATOM 233 O MET A 18 1.590 -0.471 -5.913 1.00100.00 O ATOM 234 CB MET A 18 5.128 -0.830 -6.562 1.00100.00 C ATOM 235 CG MET A 18 6.278 -0.008 -7.132 1.00100.00 C ATOM 236 SD MET A 18 7.853 -0.898 -7.079 1.00100.00 S ATOM 237 CE MET A 18 8.910 0.343 -7.862 1.00100.00 C ATOM 0 H MET A 18 4.451 1.362 -5.491 1.00100.00 H new ATOM 0 HA MET A 18 3.550 -0.029 -7.807 1.00100.00 H new ATOM 0 HB2 MET A 18 5.303 -1.007 -5.501 1.00100.00 H new ATOM 0 HB3 MET A 18 5.106 -1.805 -7.049 1.00100.00 H new ATOM 0 HG2 MET A 18 6.051 0.263 -8.163 1.00100.00 H new ATOM 0 HG3 MET A 18 6.370 0.922 -6.571 1.00100.00 H new ATOM 0 HE1 MET A 18 9.932 -0.032 -7.918 1.00100.00 H new ATOM 0 HE2 MET A 18 8.544 0.550 -8.868 1.00100.00 H new ATOM 0 HE3 MET A 18 8.892 1.260 -7.273 1.00100.00 H new ATOM 247 N THR A 19 2.639 -2.289 -6.689 1.00100.00 N ATOM 248 CA THR A 19 1.653 -3.299 -6.359 1.00100.00 C ATOM 249 C THR A 19 1.852 -3.744 -4.916 1.00100.00 C ATOM 250 O THR A 19 2.881 -3.463 -4.301 1.00100.00 O ATOM 251 CB THR A 19 1.773 -4.482 -7.335 1.00100.00 C ATOM 252 OG1 THR A 19 1.617 -4.015 -8.653 1.00100.00 O ATOM 253 CG2 THR A 19 0.704 -5.548 -7.092 1.00100.00 C ATOM 0 H THR A 19 3.362 -2.641 -7.317 1.00100.00 H new ATOM 0 HA THR A 19 0.648 -2.887 -6.455 1.00100.00 H new ATOM 0 HB THR A 19 2.755 -4.928 -7.176 1.00100.00 H new ATOM 0 HG1 THR A 19 1.695 -4.766 -9.278 1.00100.00 H new ATOM 0 HG21 THR A 19 0.832 -6.361 -7.806 1.00100.00 H new ATOM 0 HG22 THR A 19 0.802 -5.937 -6.078 1.00100.00 H new ATOM 0 HG23 THR A 19 -0.285 -5.107 -7.218 1.00100.00 H new ATOM 261 N PHE A 20 0.840 -4.441 -4.340 1.00100.00 N ATOM 262 CA PHE A 20 0.814 -4.982 -3.002 1.00100.00 C ATOM 263 C PHE A 20 1.961 -5.968 -2.872 1.00100.00 C ATOM 264 O PHE A 20 2.663 -5.985 -1.862 1.00100.00 O ATOM 265 CB PHE A 20 -0.549 -5.697 -2.821 1.00100.00 C ATOM 266 CG PHE A 20 -0.698 -6.335 -1.462 1.00100.00 C ATOM 267 CD1 PHE A 20 -1.123 -5.564 -0.370 1.00100.00 C ATOM 268 CD2 PHE A 20 -0.392 -7.691 -1.287 1.00100.00 C ATOM 269 CE1 PHE A 20 -1.247 -6.153 0.894 1.00100.00 C ATOM 270 CE2 PHE A 20 -0.516 -8.280 -0.022 1.00100.00 C ATOM 271 CZ PHE A 20 -0.944 -7.511 1.069 1.00100.00 C ATOM 0 H PHE A 20 -0.022 -4.640 -4.848 1.00100.00 H new ATOM 0 HA PHE A 20 0.925 -4.209 -2.241 1.00100.00 H new ATOM 0 HB2 PHE A 20 -1.354 -4.978 -2.970 1.00100.00 H new ATOM 0 HB3 PHE A 20 -0.658 -6.461 -3.590 1.00100.00 H new ATOM 0 HD1 PHE A 20 -1.354 -4.518 -0.504 1.00100.00 H new ATOM 0 HD2 PHE A 20 -0.060 -8.282 -2.128 1.00100.00 H new ATOM 0 HE1 PHE A 20 -1.576 -5.561 1.735 1.00100.00 H new ATOM 0 HE2 PHE A 20 -0.282 -9.326 0.113 1.00100.00 H new ATOM 0 HZ PHE A 20 -1.040 -7.964 2.044 1.00100.00 H new ATOM 281 N GLU A 21 2.166 -6.802 -3.911 1.00100.00 N ATOM 282 CA GLU A 21 3.217 -7.782 -4.014 1.00100.00 C ATOM 283 C GLU A 21 4.574 -7.102 -4.045 1.00100.00 C ATOM 284 O GLU A 21 5.527 -7.567 -3.426 1.00100.00 O ATOM 285 CB GLU A 21 2.993 -8.619 -5.286 1.00100.00 C ATOM 286 CG GLU A 21 3.988 -9.774 -5.371 1.00100.00 C ATOM 287 CD GLU A 21 3.674 -10.700 -6.544 1.00100.00 C ATOM 288 OE1 GLU A 21 2.731 -10.380 -7.300 1.00100.00 O ATOM 289 OE2 GLU A 21 4.387 -11.720 -6.661 1.00100.00 O1- ATOM 0 H GLU A 21 1.561 -6.794 -4.732 1.00100.00 H new ATOM 0 HA GLU A 21 3.196 -8.438 -3.144 1.00100.00 H new ATOM 0 HB2 GLU A 21 1.976 -9.011 -5.292 1.00100.00 H new ATOM 0 HB3 GLU A 21 3.095 -7.983 -6.165 1.00100.00 H new ATOM 0 HG2 GLU A 21 4.998 -9.378 -5.479 1.00100.00 H new ATOM 0 HG3 GLU A 21 3.967 -10.343 -4.441 1.00100.00 H new ATOM 296 N GLU A 22 4.653 -5.950 -4.753 1.00100.00 N ATOM 297 CA GLU A 22 5.833 -5.140 -4.948 1.00100.00 C ATOM 298 C GLU A 22 5.977 -4.073 -3.887 1.00100.00 C ATOM 299 O GLU A 22 6.828 -3.186 -4.008 1.00100.00 O ATOM 300 CB GLU A 22 5.824 -4.466 -6.335 1.00100.00 C ATOM 301 CG GLU A 22 5.785 -5.497 -7.459 1.00100.00 C ATOM 302 CD GLU A 22 7.056 -6.335 -7.475 1.00100.00 C ATOM 303 OE1 GLU A 22 8.109 -5.756 -7.816 1.00100.00 O ATOM 304 OE2 GLU A 22 6.954 -7.537 -7.147 1.00100.00 O1- ATOM 0 H GLU A 22 3.837 -5.557 -5.222 1.00100.00 H new ATOM 0 HA GLU A 22 6.682 -5.820 -4.875 1.00100.00 H new ATOM 0 HB2 GLU A 22 4.959 -3.807 -6.415 1.00100.00 H new ATOM 0 HB3 GLU A 22 6.711 -3.842 -6.443 1.00100.00 H new ATOM 0 HG2 GLU A 22 4.919 -6.146 -7.332 1.00100.00 H new ATOM 0 HG3 GLU A 22 5.666 -4.991 -8.417 1.00100.00 H new ATOM 311 N CYS A 23 5.180 -4.162 -2.793 1.00100.00 N ATOM 312 CA CYS A 23 5.187 -3.221 -1.702 1.00100.00 C ATOM 313 C CYS A 23 6.535 -3.099 -1.025 1.00100.00 C ATOM 314 O CYS A 23 6.878 -1.958 -0.740 1.00100.00 O ATOM 315 CB CYS A 23 4.109 -3.499 -0.631 1.00100.00 C ATOM 316 SG CYS A 23 4.100 -2.156 0.583 1.00100.00 S ATOM 0 H CYS A 23 4.507 -4.917 -2.665 1.00100.00 H new ATOM 0 HA CYS A 23 4.950 -2.273 -2.185 1.00100.00 H new ATOM 0 HB2 CYS A 23 3.129 -3.585 -1.100 1.00100.00 H new ATOM 0 HB3 CYS A 23 4.310 -4.449 -0.136 1.00100.00 H new ATOM 0 HG CYS A 23 5.251 -1.552 0.570 1.00100.00 H new ATOM 322 N PRO A 24 7.356 -4.169 -0.740 1.00100.00 N ATOM 323 CA PRO A 24 8.655 -3.970 -0.133 1.00100.00 C ATOM 324 C PRO A 24 9.558 -3.093 -0.974 1.00100.00 C ATOM 325 O PRO A 24 10.345 -2.351 -0.387 1.00100.00 O ATOM 326 CB PRO A 24 9.210 -5.367 0.169 1.00100.00 C ATOM 327 CG PRO A 24 8.491 -6.237 -0.862 1.00100.00 C ATOM 328 CD PRO A 24 7.122 -5.573 -1.013 1.00100.00 C ATOM 0 HA PRO A 24 8.582 -3.408 0.798 1.00100.00 H new ATOM 0 HB2 PRO A 24 10.293 -5.408 0.051 1.00100.00 H new ATOM 0 HB3 PRO A 24 8.989 -5.680 1.189 1.00100.00 H new ATOM 0 HG2 PRO A 24 9.030 -6.262 -1.809 1.00100.00 H new ATOM 0 HG3 PRO A 24 8.399 -7.268 -0.520 1.00100.00 H new ATOM 0 HD2 PRO A 24 6.721 -5.719 -2.016 1.00100.00 H new ATOM 0 HD3 PRO A 24 6.399 -5.996 -0.316 1.00100.00 H new ATOM 336 N LYS A 25 9.453 -3.167 -2.326 1.00100.00 N ATOM 337 CA LYS A 25 10.227 -2.363 -3.244 1.00100.00 C ATOM 338 C LYS A 25 9.857 -0.908 -3.189 1.00100.00 C ATOM 339 O LYS A 25 10.678 -0.061 -3.540 1.00100.00 O ATOM 340 CB LYS A 25 10.179 -2.819 -4.712 1.00100.00 C ATOM 341 CG LYS A 25 10.674 -4.260 -4.831 1.00100.00 C ATOM 342 CD LYS A 25 10.802 -4.654 -6.302 1.00100.00 C ATOM 343 CE LYS A 25 11.891 -3.839 -7.001 1.00100.00 C ATOM 344 NZ LYS A 25 13.207 -4.059 -6.380 1.00100.00 N1+ ATOM 0 H LYS A 25 8.810 -3.806 -2.794 1.00100.00 H new ATOM 0 HA LYS A 25 11.247 -2.508 -2.889 1.00100.00 H new ATOM 0 HB2 LYS A 25 9.160 -2.744 -5.091 1.00100.00 H new ATOM 0 HB3 LYS A 25 10.796 -2.162 -5.325 1.00100.00 H new ATOM 0 HG2 LYS A 25 11.639 -4.363 -4.334 1.00100.00 H new ATOM 0 HG3 LYS A 25 9.981 -4.933 -4.326 1.00100.00 H new ATOM 0 HD2 LYS A 25 11.034 -5.716 -6.378 1.00100.00 H new ATOM 0 HD3 LYS A 25 9.848 -4.500 -6.807 1.00100.00 H new ATOM 0 HE2 LYS A 25 11.934 -4.114 -8.055 1.00100.00 H new ATOM 0 HE3 LYS A 25 11.639 -2.779 -6.958 1.00100.00 H new ATOM 0 HZ1 LYS A 25 13.955 -3.754 -7.035 1.00100.00 H new ATOM 0 HZ2 LYS A 25 13.272 -3.509 -5.500 1.00100.00 H new ATOM 0 HZ3 LYS A 25 13.325 -5.070 -6.166 1.00100.00 H new ATOM 358 N CYS A 26 8.617 -0.594 -2.731 1.00100.00 N ATOM 359 CA CYS A 26 8.100 0.747 -2.595 1.00100.00 C ATOM 360 C CYS A 26 8.941 1.540 -1.629 1.00100.00 C ATOM 361 O CYS A 26 9.133 2.742 -1.825 1.00100.00 O ATOM 362 CB CYS A 26 6.647 0.772 -2.110 1.00100.00 C ATOM 363 SG CYS A 26 5.506 0.131 -3.352 1.00100.00 S ATOM 0 H CYS A 26 7.947 -1.307 -2.443 1.00100.00 H new ATOM 0 HA CYS A 26 8.137 1.192 -3.589 1.00100.00 H new ATOM 0 HB2 CYS A 26 6.559 0.181 -1.198 1.00100.00 H new ATOM 0 HB3 CYS A 26 6.368 1.794 -1.855 1.00100.00 H new ATOM 0 HG CYS A 26 4.290 0.193 -2.897 1.00100.00 H new ATOM 369 N SER A 27 9.450 0.872 -0.563 1.00100.00 N ATOM 370 CA SER A 27 10.290 1.455 0.457 1.00100.00 C ATOM 371 C SER A 27 11.560 1.987 -0.145 1.00100.00 C ATOM 372 O SER A 27 12.051 3.025 0.304 1.00100.00 O ATOM 373 CB SER A 27 10.664 0.449 1.552 1.00100.00 C ATOM 374 OG SER A 27 9.494 -0.041 2.164 1.00100.00 O ATOM 0 H SER A 27 9.268 -0.119 -0.405 1.00100.00 H new ATOM 0 HA SER A 27 9.710 2.262 0.906 1.00100.00 H new ATOM 0 HB2 SER A 27 11.234 -0.375 1.123 1.00100.00 H new ATOM 0 HB3 SER A 27 11.303 0.926 2.295 1.00100.00 H new ATOM 0 HG SER A 27 9.735 -0.685 2.862 1.00100.00 H new ATOM 380 N ALA A 28 12.128 1.260 -1.144 1.00100.00 N ATOM 381 CA ALA A 28 13.319 1.671 -1.844 1.00100.00 C ATOM 382 C ALA A 28 12.955 2.894 -2.638 1.00100.00 C ATOM 383 O ALA A 28 11.878 2.970 -3.234 1.00100.00 O ATOM 384 CB ALA A 28 13.864 0.607 -2.809 1.00100.00 C ATOM 0 H ALA A 28 11.750 0.370 -1.469 1.00100.00 H new ATOM 0 HA ALA A 28 14.102 1.851 -1.108 1.00100.00 H new ATOM 0 HB1 ALA A 28 14.760 0.986 -3.300 1.00100.00 H new ATOM 0 HB2 ALA A 28 14.110 -0.297 -2.252 1.00100.00 H new ATOM 0 HB3 ALA A 28 13.109 0.376 -3.560 1.00100.00 H new ATOM 390 N LEU A 29 13.863 3.879 -2.658 1.00100.00 N ATOM 391 CA LEU A 29 13.661 5.127 -3.334 1.00100.00 C ATOM 392 C LEU A 29 14.215 5.178 -4.727 1.00100.00 C ATOM 393 O LEU A 29 14.255 6.259 -5.323 1.00100.00 O ATOM 394 CB LEU A 29 14.252 6.305 -2.537 1.00100.00 C ATOM 395 CG LEU A 29 13.197 6.949 -1.634 1.00100.00 C ATOM 396 CD1 LEU A 29 12.747 6.003 -0.525 1.00100.00 C ATOM 397 CD2 LEU A 29 13.764 8.230 -1.024 1.00100.00 C ATOM 0 H LEU A 29 14.767 3.810 -2.191 1.00100.00 H new ATOM 0 HA LEU A 29 12.577 5.214 -3.407 1.00100.00 H new ATOM 0 HB2 LEU A 29 15.088 5.954 -1.931 1.00100.00 H new ATOM 0 HB3 LEU A 29 14.649 7.051 -3.226 1.00100.00 H new ATOM 0 HG LEU A 29 12.325 7.180 -2.245 1.00100.00 H new ATOM 0 HD11 LEU A 29 11.998 6.498 0.094 1.00100.00 H new ATOM 0 HD12 LEU A 29 12.317 5.104 -0.966 1.00100.00 H new ATOM 0 HD13 LEU A 29 13.604 5.731 0.091 1.00100.00 H new ATOM 0 HD21 LEU A 29 13.014 8.690 -0.381 1.00100.00 H new ATOM 0 HD22 LEU A 29 14.650 7.992 -0.435 1.00100.00 H new ATOM 0 HD23 LEU A 29 14.033 8.924 -1.820 1.00100.00 H new ATOM 409 N GLN A 30 14.617 4.015 -5.292 1.00100.00 N ATOM 410 CA GLN A 30 15.201 3.904 -6.609 1.00100.00 C ATOM 411 C GLN A 30 14.261 4.385 -7.676 1.00100.00 C ATOM 412 O GLN A 30 14.681 5.076 -8.602 1.00100.00 O ATOM 413 CB GLN A 30 15.607 2.458 -6.938 1.00100.00 C ATOM 414 CG GLN A 30 16.651 1.962 -5.939 1.00100.00 C ATOM 415 CD GLN A 30 17.119 0.555 -6.287 1.00100.00 C ATOM 416 OE1 GLN A 30 16.315 -0.299 -6.656 1.00100.00 O ATOM 417 NE2 GLN A 30 18.428 0.313 -6.172 1.00100.00 N ATOM 0 H GLN A 30 14.533 3.117 -4.816 1.00100.00 H new ATOM 0 HA GLN A 30 16.090 4.534 -6.594 1.00100.00 H new ATOM 0 HB2 GLN A 30 14.730 1.811 -6.910 1.00100.00 H new ATOM 0 HB3 GLN A 30 16.008 2.407 -7.950 1.00100.00 H new ATOM 0 HG2 GLN A 30 17.504 2.641 -5.932 1.00100.00 H new ATOM 0 HG3 GLN A 30 16.229 1.970 -4.934 1.00100.00 H new ATOM 0 HE21 GLN A 30 19.058 1.053 -5.862 1.00100.00 H new ATOM 0 HE22 GLN A 30 18.797 -0.611 -6.394 1.00100.00 H new ATOM 426 N TYR A 31 12.962 4.037 -7.540 1.00100.00 N ATOM 427 CA TYR A 31 11.908 4.410 -8.444 1.00100.00 C ATOM 428 C TYR A 31 11.745 5.911 -8.452 1.00100.00 C ATOM 429 O TYR A 31 11.522 6.481 -9.517 1.00100.00 O ATOM 430 CB TYR A 31 10.573 3.721 -8.055 1.00100.00 C ATOM 431 CG TYR A 31 9.429 4.062 -8.980 1.00100.00 C ATOM 432 CD1 TYR A 31 9.380 3.499 -10.262 1.00100.00 C ATOM 433 CD2 TYR A 31 8.421 4.938 -8.555 1.00100.00 C ATOM 434 CE1 TYR A 31 8.320 3.809 -11.126 1.00100.00 C ATOM 435 CE2 TYR A 31 7.357 5.253 -9.410 1.00100.00 C ATOM 436 CZ TYR A 31 7.303 4.689 -10.702 1.00100.00 C ATOM 437 OH TYR A 31 6.268 4.991 -11.536 1.00100.00 O ATOM 0 H TYR A 31 12.631 3.468 -6.761 1.00100.00 H new ATOM 0 HA TYR A 31 12.178 4.077 -9.446 1.00100.00 H new ATOM 0 HB2 TYR A 31 10.718 2.641 -8.052 1.00100.00 H new ATOM 0 HB3 TYR A 31 10.307 4.010 -7.038 1.00100.00 H new ATOM 0 HD1 TYR A 31 10.160 2.825 -10.585 1.00100.00 H new ATOM 0 HD2 TYR A 31 8.465 5.371 -7.567 1.00100.00 H new ATOM 0 HE1 TYR A 31 8.283 3.375 -12.114 1.00100.00 H new ATOM 0 HE2 TYR A 31 6.579 5.926 -9.081 1.00100.00 H new ATOM 0 HH TYR A 31 5.656 5.610 -11.087 1.00100.00 H new ATOM 447 N ARG A 32 11.855 6.563 -7.265 1.00100.00 N ATOM 448 CA ARG A 32 11.711 7.989 -7.104 1.00100.00 C ATOM 449 C ARG A 32 12.742 8.752 -7.868 1.00100.00 C ATOM 450 O ARG A 32 12.422 9.754 -8.510 1.00100.00 O ATOM 451 CB ARG A 32 11.717 8.464 -5.641 1.00100.00 C ATOM 452 CG ARG A 32 10.575 7.782 -4.888 1.00100.00 C ATOM 453 CD ARG A 32 10.274 8.508 -3.579 1.00100.00 C ATOM 454 NE ARG A 32 9.269 7.769 -2.813 1.00100.00 N ATOM 455 CZ ARG A 32 8.912 8.072 -1.557 1.00100.00 C ATOM 456 NH1 ARG A 32 9.468 9.115 -0.927 1.00100.00 N1+ ATOM 457 NH2 ARG A 32 7.994 7.326 -0.929 1.00100.00 N ATOM 0 H ARG A 32 12.051 6.079 -6.389 1.00100.00 H new ATOM 0 HA ARG A 32 10.722 8.199 -7.512 1.00100.00 H new ATOM 0 HB2 ARG A 32 12.672 8.225 -5.172 1.00100.00 H new ATOM 0 HB3 ARG A 32 11.602 9.547 -5.597 1.00100.00 H new ATOM 0 HG2 ARG A 32 9.682 7.765 -5.512 1.00100.00 H new ATOM 0 HG3 ARG A 32 10.839 6.745 -4.681 1.00100.00 H new ATOM 0 HD2 ARG A 32 11.187 8.610 -2.992 1.00100.00 H new ATOM 0 HD3 ARG A 32 9.915 9.516 -3.787 1.00100.00 H new ATOM 0 HE ARG A 32 8.813 6.975 -3.262 1.00100.00 H new ATOM 0 HH11 ARG A 32 10.168 9.684 -1.403 1.00100.00 H new ATOM 0 HH12 ARG A 32 9.192 9.340 0.029 1.00100.00 H new ATOM 0 HH21 ARG A 32 7.569 6.531 -1.406 1.00100.00 H new ATOM 0 HH22 ARG A 32 7.719 7.553 0.027 1.00100.00 H new ATOM 471 N ASN A 33 13.997 8.264 -7.834 1.00100.00 N ATOM 472 CA ASN A 33 15.099 8.873 -8.536 1.00100.00 C ATOM 473 C ASN A 33 14.875 8.738 -10.019 1.00100.00 C ATOM 474 O ASN A 33 14.287 7.761 -10.493 1.00100.00 O ATOM 475 CB ASN A 33 16.458 8.220 -8.213 1.00100.00 C ATOM 476 CG ASN A 33 16.779 8.371 -6.732 1.00100.00 C ATOM 477 OD1 ASN A 33 16.875 9.487 -6.227 1.00100.00 O ATOM 478 ND2 ASN A 33 16.943 7.245 -6.033 1.00100.00 N ATOM 0 H ASN A 33 14.257 7.429 -7.309 1.00100.00 H new ATOM 0 HA ASN A 33 15.134 9.914 -8.215 1.00100.00 H new ATOM 0 HB2 ASN A 33 16.434 7.164 -8.481 1.00100.00 H new ATOM 0 HB3 ASN A 33 17.243 8.683 -8.811 1.00100.00 H new ATOM 0 HD21 ASN A 33 17.157 7.290 -5.037 1.00100.00 H new ATOM 0 HD22 ASN A 33 16.854 6.340 -6.495 1.00100.00 H new ATOM 485 N GLY A 34 15.347 9.748 -10.783 1.00100.00 N ATOM 486 CA GLY A 34 15.203 9.768 -12.214 1.00100.00 C ATOM 487 C GLY A 34 14.012 10.549 -12.697 1.00100.00 C ATOM 488 O GLY A 34 13.878 10.718 -13.910 1.00100.00 O ATOM 0 H GLY A 34 15.834 10.560 -10.404 1.00100.00 H new ATOM 0 HA2 GLY A 34 16.106 10.192 -12.654 1.00100.00 H new ATOM 0 HA3 GLY A 34 15.123 8.743 -12.575 1.00100.00 H new ATOM 492 N PHE A 35 13.111 11.013 -11.792 1.00100.00 N ATOM 493 CA PHE A 35 11.970 11.816 -12.170 1.00100.00 C ATOM 494 C PHE A 35 12.375 13.249 -12.354 1.00100.00 C ATOM 495 O PHE A 35 13.300 13.732 -11.695 1.00100.00 O ATOM 496 CB PHE A 35 10.757 11.739 -11.218 1.00100.00 C ATOM 497 CG PHE A 35 9.882 10.529 -11.464 1.00100.00 C ATOM 498 CD1 PHE A 35 10.142 9.309 -10.821 1.00100.00 C ATOM 499 CD2 PHE A 35 8.799 10.631 -12.347 1.00100.00 C ATOM 500 CE1 PHE A 35 9.311 8.203 -11.048 1.00100.00 C ATOM 501 CE2 PHE A 35 7.973 9.523 -12.580 1.00100.00 C ATOM 502 CZ PHE A 35 8.226 8.310 -11.928 1.00100.00 C ATOM 0 H PHE A 35 13.175 10.830 -10.791 1.00100.00 H new ATOM 0 HA PHE A 35 11.630 11.381 -13.110 1.00100.00 H new ATOM 0 HB2 PHE A 35 11.113 11.719 -10.188 1.00100.00 H new ATOM 0 HB3 PHE A 35 10.157 12.642 -11.331 1.00100.00 H new ATOM 0 HD1 PHE A 35 10.984 9.222 -10.150 1.00100.00 H new ATOM 0 HD2 PHE A 35 8.600 11.566 -12.850 1.00100.00 H new ATOM 0 HE1 PHE A 35 9.507 7.268 -10.544 1.00100.00 H new ATOM 0 HE2 PHE A 35 7.141 9.605 -13.263 1.00100.00 H new ATOM 0 HZ PHE A 35 7.586 7.458 -12.103 1.00100.00 H new ATOM 512 N TYR A 36 11.661 13.955 -13.265 1.00100.00 N ATOM 513 CA TYR A 36 11.930 15.324 -13.618 1.00100.00 C ATOM 514 C TYR A 36 11.823 16.286 -12.464 1.00100.00 C ATOM 515 O TYR A 36 12.766 17.051 -12.249 1.00100.00 O ATOM 516 CB TYR A 36 10.968 15.751 -14.766 1.00100.00 C ATOM 517 CG TYR A 36 11.086 17.208 -15.150 1.00100.00 C ATOM 518 CD1 TYR A 36 12.059 17.615 -16.074 1.00100.00 C ATOM 519 CD2 TYR A 36 10.218 18.151 -14.581 1.00100.00 C ATOM 520 CE1 TYR A 36 12.164 18.965 -16.435 1.00100.00 C ATOM 521 CE2 TYR A 36 10.317 19.503 -14.934 1.00100.00 C ATOM 522 CZ TYR A 36 11.290 19.915 -15.867 1.00100.00 C ATOM 523 OH TYR A 36 11.388 21.230 -16.216 1.00100.00 O ATOM 0 H TYR A 36 10.870 13.557 -13.772 1.00100.00 H new ATOM 0 HA TYR A 36 12.969 15.370 -13.944 1.00100.00 H new ATOM 0 HB2 TYR A 36 11.169 15.136 -15.643 1.00100.00 H new ATOM 0 HB3 TYR A 36 9.941 15.547 -14.462 1.00100.00 H new ATOM 0 HD1 TYR A 36 12.728 16.887 -16.508 1.00100.00 H new ATOM 0 HD2 TYR A 36 9.471 17.834 -13.868 1.00100.00 H new ATOM 0 HE1 TYR A 36 12.913 19.278 -17.147 1.00100.00 H new ATOM 0 HE2 TYR A 36 9.649 20.228 -14.492 1.00100.00 H new ATOM 0 HH TYR A 36 10.710 21.748 -15.733 1.00100.00 H new ATOM 533 N LEU A 37 10.717 16.256 -11.686 1.00100.00 N ATOM 534 CA LEU A 37 10.619 17.167 -10.581 1.00100.00 C ATOM 535 C LEU A 37 9.967 16.449 -9.453 1.00100.00 C ATOM 536 O LEU A 37 8.911 15.833 -9.617 1.00100.00 O ATOM 537 CB LEU A 37 9.891 18.485 -10.938 1.00100.00 C ATOM 538 CG LEU A 37 9.729 19.430 -9.750 1.00100.00 C ATOM 539 CD1 LEU A 37 11.080 19.877 -9.193 1.00100.00 C ATOM 540 CD2 LEU A 37 8.953 20.649 -10.239 1.00100.00 C ATOM 0 H LEU A 37 9.923 15.629 -11.814 1.00100.00 H new ATOM 0 HA LEU A 37 11.621 17.484 -10.292 1.00100.00 H new ATOM 0 HB2 LEU A 37 10.445 18.995 -11.726 1.00100.00 H new ATOM 0 HB3 LEU A 37 8.906 18.249 -11.342 1.00100.00 H new ATOM 0 HG LEU A 37 9.203 18.913 -8.947 1.00100.00 H new ATOM 0 HD11 LEU A 37 10.921 20.548 -8.349 1.00100.00 H new ATOM 0 HD12 LEU A 37 11.644 19.005 -8.862 1.00100.00 H new ATOM 0 HD13 LEU A 37 11.640 20.397 -9.970 1.00100.00 H new ATOM 0 HD21 LEU A 37 8.817 21.349 -9.414 1.00100.00 H new ATOM 0 HD22 LEU A 37 9.508 21.136 -11.041 1.00100.00 H new ATOM 0 HD23 LEU A 37 7.978 20.334 -10.612 1.00100.00 H new ATOM 552 N LEU A 38 10.618 16.535 -8.274 1.00100.00 N ATOM 553 CA LEU A 38 10.173 15.917 -7.052 1.00100.00 C ATOM 554 C LEU A 38 8.866 16.489 -6.591 1.00100.00 C ATOM 555 O LEU A 38 7.983 15.751 -6.164 1.00100.00 O ATOM 556 CB LEU A 38 11.172 16.085 -5.890 1.00100.00 C ATOM 557 CG LEU A 38 12.503 15.365 -6.120 1.00100.00 C ATOM 558 CD1 LEU A 38 13.424 15.657 -4.935 1.00100.00 C ATOM 559 CD2 LEU A 38 12.305 13.851 -6.223 1.00100.00 C ATOM 0 H LEU A 38 11.489 17.055 -8.165 1.00100.00 H new ATOM 0 HA LEU A 38 10.075 14.859 -7.296 1.00100.00 H new ATOM 0 HB2 LEU A 38 11.364 17.147 -5.737 1.00100.00 H new ATOM 0 HB3 LEU A 38 10.718 15.708 -4.974 1.00100.00 H new ATOM 0 HG LEU A 38 12.935 15.722 -7.055 1.00100.00 H new ATOM 0 HD11 LEU A 38 14.378 15.151 -5.082 1.00100.00 H new ATOM 0 HD12 LEU A 38 13.591 16.732 -4.860 1.00100.00 H new ATOM 0 HD13 LEU A 38 12.961 15.297 -4.017 1.00100.00 H new ATOM 0 HD21 LEU A 38 13.269 13.368 -6.386 1.00100.00 H new ATOM 0 HD22 LEU A 38 11.864 13.478 -5.298 1.00100.00 H new ATOM 0 HD23 LEU A 38 11.641 13.627 -7.058 1.00100.00 H new ATOM 571 N LYS A 39 8.722 17.825 -6.718 1.00100.00 N ATOM 572 CA LYS A 39 7.571 18.590 -6.318 1.00100.00 C ATOM 573 C LYS A 39 6.313 18.260 -7.061 1.00100.00 C ATOM 574 O LYS A 39 5.234 18.530 -6.528 1.00100.00 O ATOM 575 CB LYS A 39 7.805 20.107 -6.449 1.00100.00 C ATOM 576 CG LYS A 39 8.915 20.574 -5.510 1.00100.00 C ATOM 577 CD LYS A 39 9.076 22.086 -5.647 1.00100.00 C ATOM 578 CE LYS A 39 10.143 22.580 -4.675 1.00100.00 C ATOM 579 NZ LYS A 39 10.325 24.035 -4.789 1.00100.00 N1+ ATOM 0 H LYS A 39 9.454 18.408 -7.125 1.00100.00 H new ATOM 0 HA LYS A 39 7.435 18.307 -5.274 1.00100.00 H new ATOM 0 HB2 LYS A 39 8.069 20.350 -7.478 1.00100.00 H new ATOM 0 HB3 LYS A 39 6.883 20.642 -6.221 1.00100.00 H new ATOM 0 HG2 LYS A 39 8.672 20.313 -4.480 1.00100.00 H new ATOM 0 HG3 LYS A 39 9.851 20.072 -5.754 1.00100.00 H new ATOM 0 HD2 LYS A 39 9.356 22.340 -6.669 1.00100.00 H new ATOM 0 HD3 LYS A 39 8.127 22.582 -5.443 1.00100.00 H new ATOM 0 HE2 LYS A 39 9.857 22.324 -3.655 1.00100.00 H new ATOM 0 HE3 LYS A 39 11.087 22.075 -4.878 1.00100.00 H new ATOM 0 HZ1 LYS A 39 11.293 24.287 -4.505 1.00100.00 H new ATOM 0 HZ2 LYS A 39 10.166 24.329 -5.774 1.00100.00 H new ATOM 0 HZ3 LYS A 39 9.645 24.520 -4.169 1.00100.00 H new ATOM 593 N TYR A 40 6.414 17.675 -8.289 1.00100.00 N ATOM 594 CA TYR A 40 5.260 17.342 -9.095 1.00100.00 C ATOM 595 C TYR A 40 4.401 16.354 -8.343 1.00100.00 C ATOM 596 O TYR A 40 4.886 15.335 -7.850 1.00100.00 O ATOM 597 CB TYR A 40 5.665 16.779 -10.485 1.00100.00 C ATOM 598 CG TYR A 40 4.473 16.448 -11.347 1.00100.00 C ATOM 599 CD1 TYR A 40 3.811 17.469 -12.042 1.00100.00 C ATOM 600 CD2 TYR A 40 4.019 15.125 -11.436 1.00100.00 C ATOM 601 CE1 TYR A 40 2.698 17.171 -12.838 1.00100.00 C ATOM 602 CE2 TYR A 40 2.908 14.815 -12.230 1.00100.00 C ATOM 603 CZ TYR A 40 2.245 15.839 -12.938 1.00100.00 C ATOM 604 OH TYR A 40 1.164 15.544 -13.716 1.00100.00 O ATOM 0 H TYR A 40 7.305 17.432 -8.723 1.00100.00 H new ATOM 0 HA TYR A 40 4.692 18.254 -9.281 1.00100.00 H new ATOM 0 HB2 TYR A 40 6.290 17.509 -11.000 1.00100.00 H new ATOM 0 HB3 TYR A 40 6.269 15.882 -10.348 1.00100.00 H new ATOM 0 HD1 TYR A 40 4.160 18.488 -11.964 1.00100.00 H new ATOM 0 HD2 TYR A 40 4.527 14.343 -10.891 1.00100.00 H new ATOM 0 HE1 TYR A 40 2.188 17.958 -13.373 1.00100.00 H new ATOM 0 HE2 TYR A 40 2.560 13.795 -12.300 1.00100.00 H new ATOM 0 HH TYR A 40 0.985 14.581 -13.676 1.00100.00 H new ATOM 614 N ASP A 41 3.085 16.668 -8.279 1.00100.00 N ATOM 615 CA ASP A 41 2.139 15.866 -7.560 1.00100.00 C ATOM 616 C ASP A 41 1.558 14.759 -8.365 1.00100.00 C ATOM 617 O ASP A 41 0.990 14.942 -9.443 1.00100.00 O ATOM 618 CB ASP A 41 0.974 16.662 -6.934 1.00100.00 C ATOM 619 CG ASP A 41 1.495 17.655 -5.904 1.00100.00 C ATOM 620 OD1 ASP A 41 2.315 17.226 -5.062 1.00100.00 O ATOM 621 OD2 ASP A 41 1.066 18.827 -5.976 1.00100.00 O1- ATOM 0 H ASP A 41 2.678 17.486 -8.731 1.00100.00 H new ATOM 0 HA ASP A 41 2.750 15.450 -6.758 1.00100.00 H new ATOM 0 HB2 ASP A 41 0.428 17.192 -7.714 1.00100.00 H new ATOM 0 HB3 ASP A 41 0.270 15.976 -6.462 1.00100.00 H new ATOM 626 N GLU A 42 1.735 13.557 -7.798 1.00100.00 N ATOM 627 CA GLU A 42 1.277 12.298 -8.313 1.00100.00 C ATOM 628 C GLU A 42 1.103 11.371 -7.125 1.00100.00 C ATOM 629 O GLU A 42 1.171 11.817 -5.976 1.00100.00 O ATOM 630 CB GLU A 42 2.167 11.739 -9.460 1.00100.00 C ATOM 631 CG GLU A 42 3.514 11.236 -8.995 1.00100.00 C ATOM 632 CD GLU A 42 4.401 10.917 -10.191 1.00100.00 C ATOM 633 OE1 GLU A 42 4.689 11.863 -10.955 1.00100.00 O1- ATOM 634 OE2 GLU A 42 4.769 9.730 -10.323 1.00100.00 O ATOM 0 H GLU A 42 2.234 13.453 -6.915 1.00100.00 H new ATOM 0 HA GLU A 42 0.316 12.413 -8.814 1.00100.00 H new ATOM 0 HB2 GLU A 42 1.637 10.926 -9.956 1.00100.00 H new ATOM 0 HB3 GLU A 42 2.318 12.521 -10.204 1.00100.00 H new ATOM 0 HG2 GLU A 42 3.994 11.988 -8.368 1.00100.00 H new ATOM 0 HG3 GLU A 42 3.385 10.344 -8.381 1.00100.00 H new ATOM 641 N GLU A 43 0.807 10.069 -7.367 1.00100.00 N ATOM 642 CA GLU A 43 0.614 9.079 -6.319 1.00100.00 C ATOM 643 C GLU A 43 1.856 8.893 -5.478 1.00100.00 C ATOM 644 O GLU A 43 1.780 8.783 -4.255 1.00100.00 O ATOM 645 CB GLU A 43 0.188 7.702 -6.855 1.00100.00 C ATOM 646 CG GLU A 43 -1.118 7.800 -7.640 1.00100.00 C ATOM 647 CD GLU A 43 -1.586 6.421 -8.094 1.00100.00 C ATOM 648 OE1 GLU A 43 -0.714 5.629 -8.511 1.00100.00 O ATOM 649 OE2 GLU A 43 -2.811 6.185 -8.014 1.00100.00 O1- ATOM 0 H GLU A 43 0.698 9.691 -8.308 1.00100.00 H new ATOM 0 HA GLU A 43 -0.194 9.482 -5.708 1.00100.00 H new ATOM 0 HB2 GLU A 43 0.972 7.299 -7.496 1.00100.00 H new ATOM 0 HB3 GLU A 43 0.066 7.007 -6.025 1.00100.00 H new ATOM 0 HG2 GLU A 43 -1.886 8.263 -7.020 1.00100.00 H new ATOM 0 HG3 GLU A 43 -0.978 8.445 -8.508 1.00100.00 H new ATOM 656 N TRP A 44 3.019 8.903 -6.159 1.00100.00 N ATOM 657 CA TRP A 44 4.381 8.788 -5.690 1.00100.00 C ATOM 658 C TRP A 44 4.583 9.920 -4.695 1.00100.00 C ATOM 659 O TRP A 44 4.140 11.042 -4.949 1.00100.00 O ATOM 660 CB TRP A 44 5.143 9.055 -6.983 1.00100.00 C ATOM 661 CG TRP A 44 6.603 9.181 -7.025 1.00100.00 C ATOM 662 CD1 TRP A 44 7.461 8.183 -7.301 1.00100.00 C ATOM 663 CD2 TRP A 44 7.344 10.423 -7.127 1.00100.00 C ATOM 664 NE1 TRP A 44 8.678 8.734 -7.608 1.00100.00 N ATOM 665 CE2 TRP A 44 8.661 10.113 -7.538 1.00100.00 C ATOM 666 CE3 TRP A 44 6.994 11.780 -7.018 1.00100.00 C ATOM 667 CZ2 TRP A 44 9.591 11.108 -7.839 1.00100.00 C ATOM 668 CZ3 TRP A 44 7.914 12.784 -7.340 1.00100.00 C ATOM 669 CH2 TRP A 44 9.207 12.448 -7.760 1.00100.00 C ATOM 0 H TRP A 44 3.004 9.005 -7.174 1.00100.00 H new ATOM 0 HA TRP A 44 4.670 7.855 -5.206 1.00100.00 H new ATOM 0 HB2 TRP A 44 4.879 8.252 -7.672 1.00100.00 H new ATOM 0 HB3 TRP A 44 4.738 9.978 -7.399 1.00100.00 H new ATOM 0 HD1 TRP A 44 7.231 7.128 -7.284 1.00100.00 H new ATOM 0 HE1 TRP A 44 9.502 8.188 -7.859 1.00100.00 H new ATOM 0 HE3 TRP A 44 6.004 12.051 -6.682 1.00100.00 H new ATOM 0 HZ2 TRP A 44 10.597 10.845 -8.130 1.00100.00 H new ATOM 0 HZ3 TRP A 44 7.626 13.822 -7.264 1.00100.00 H new ATOM 0 HH2 TRP A 44 9.908 13.226 -8.023 1.00100.00 H new ATOM 680 N TYR A 45 5.252 9.651 -3.539 1.00100.00 N ATOM 681 CA TYR A 45 5.442 10.664 -2.524 1.00100.00 C ATOM 682 C TYR A 45 6.546 11.627 -2.865 1.00100.00 C ATOM 683 O TYR A 45 7.693 11.204 -3.041 1.00100.00 O ATOM 684 CB TYR A 45 5.765 10.104 -1.121 1.00100.00 C ATOM 685 CG TYR A 45 4.593 9.374 -0.514 1.00100.00 C ATOM 686 CD1 TYR A 45 3.581 10.106 0.122 1.00100.00 C ATOM 687 CD2 TYR A 45 4.500 7.978 -0.607 1.00100.00 C ATOM 688 CE1 TYR A 45 2.475 9.447 0.675 1.00100.00 C ATOM 689 CE2 TYR A 45 3.399 7.310 -0.056 1.00100.00 C ATOM 690 CZ TYR A 45 2.381 8.043 0.589 1.00100.00 C ATOM 691 OH TYR A 45 1.308 7.395 1.127 1.00100.00 O ATOM 0 H TYR A 45 5.656 8.743 -3.311 1.00100.00 H new ATOM 0 HA TYR A 45 4.475 11.167 -2.500 1.00100.00 H new ATOM 0 HB2 TYR A 45 6.616 9.427 -1.189 1.00100.00 H new ATOM 0 HB3 TYR A 45 6.060 10.922 -0.464 1.00100.00 H new ATOM 0 HD1 TYR A 45 3.654 11.182 0.186 1.00100.00 H new ATOM 0 HD2 TYR A 45 5.278 7.417 -1.104 1.00100.00 H new ATOM 0 HE1 TYR A 45 1.697 10.013 1.166 1.00100.00 H new ATOM 0 HE2 TYR A 45 3.330 6.234 -0.125 1.00100.00 H new ATOM 0 HH TYR A 45 0.523 7.980 1.095 1.00100.00 H new ATOM 701 N PRO A 46 6.210 12.952 -2.972 1.00100.00 N ATOM 702 CA PRO A 46 7.147 14.007 -3.281 1.00100.00 C ATOM 703 C PRO A 46 8.253 14.153 -2.281 1.00100.00 C ATOM 704 O PRO A 46 9.371 14.467 -2.692 1.00100.00 O ATOM 705 CB PRO A 46 6.317 15.286 -3.431 1.00100.00 C ATOM 706 CG PRO A 46 5.099 15.010 -2.559 1.00100.00 C ATOM 707 CD PRO A 46 4.893 13.506 -2.721 1.00100.00 C ATOM 0 HA PRO A 46 7.679 13.770 -4.202 1.00100.00 H new ATOM 0 HB2 PRO A 46 6.865 16.165 -3.092 1.00100.00 H new ATOM 0 HB3 PRO A 46 6.037 15.466 -4.469 1.00100.00 H new ATOM 0 HG2 PRO A 46 5.277 15.283 -1.519 1.00100.00 H new ATOM 0 HG3 PRO A 46 4.228 15.575 -2.892 1.00100.00 H new ATOM 0 HD2 PRO A 46 4.451 13.073 -1.824 1.00100.00 H new ATOM 0 HD3 PRO A 46 4.214 13.291 -3.546 1.00100.00 H new ATOM 715 N GLU A 47 7.946 13.945 -0.977 1.00100.00 N ATOM 716 CA GLU A 47 8.914 14.044 0.079 1.00100.00 C ATOM 717 C GLU A 47 9.664 12.754 0.056 1.00100.00 C ATOM 718 O GLU A 47 9.061 11.676 0.089 1.00100.00 O ATOM 719 CB GLU A 47 8.290 14.188 1.483 1.00100.00 C ATOM 720 CG GLU A 47 9.400 14.362 2.523 1.00100.00 C ATOM 721 CD GLU A 47 8.845 14.548 3.931 1.00100.00 C ATOM 722 OE1 GLU A 47 7.610 14.437 4.086 1.00100.00 O ATOM 723 OE2 GLU A 47 9.676 14.798 4.831 1.00100.00 O1- ATOM 0 H GLU A 47 7.009 13.704 -0.654 1.00100.00 H new ATOM 0 HA GLU A 47 9.523 14.932 -0.089 1.00100.00 H new ATOM 0 HB2 GLU A 47 7.618 15.046 1.507 1.00100.00 H new ATOM 0 HB3 GLU A 47 7.692 13.308 1.718 1.00100.00 H new ATOM 0 HG2 GLU A 47 10.053 13.490 2.504 1.00100.00 H new ATOM 0 HG3 GLU A 47 10.012 15.224 2.258 1.00100.00 H new ATOM 730 N GLU A 48 11.008 12.862 0.004 1.00100.00 N ATOM 731 CA GLU A 48 11.850 11.707 -0.040 1.00100.00 C ATOM 732 C GLU A 48 12.429 11.457 1.313 1.00100.00 C ATOM 733 O GLU A 48 12.955 12.359 1.968 1.00100.00 O ATOM 734 CB GLU A 48 12.983 11.803 -1.069 1.00100.00 C ATOM 735 CG GLU A 48 12.450 11.724 -2.496 1.00100.00 C ATOM 736 CD GLU A 48 13.603 11.781 -3.489 1.00100.00 C ATOM 737 OE1 GLU A 48 14.366 12.768 -3.417 1.00100.00 O ATOM 738 OE2 GLU A 48 13.704 10.831 -4.296 1.00100.00 O1- ATOM 0 H GLU A 48 11.509 13.750 -0.007 1.00100.00 H new ATOM 0 HA GLU A 48 11.216 10.878 -0.354 1.00100.00 H new ATOM 0 HB2 GLU A 48 13.522 12.741 -0.932 1.00100.00 H new ATOM 0 HB3 GLU A 48 13.698 10.997 -0.901 1.00100.00 H new ATOM 0 HG2 GLU A 48 11.888 10.800 -2.632 1.00100.00 H new ATOM 0 HG3 GLU A 48 11.760 12.547 -2.681 1.00100.00 H new ATOM 745 N LEU A 49 12.301 10.185 1.752 1.00100.00 N ATOM 746 CA LEU A 49 12.751 9.704 3.033 1.00100.00 C ATOM 747 C LEU A 49 14.236 9.831 3.219 1.00100.00 C ATOM 748 O LEU A 49 14.686 10.314 4.260 1.00100.00 O ATOM 749 CB LEU A 49 12.389 8.216 3.216 1.00100.00 C ATOM 750 CG LEU A 49 10.891 7.969 3.016 1.00100.00 C ATOM 751 CD1 LEU A 49 10.609 6.475 3.157 1.00100.00 C ATOM 752 CD2 LEU A 49 10.066 8.740 4.048 1.00100.00 C ATOM 0 H LEU A 49 11.863 9.457 1.188 1.00100.00 H new ATOM 0 HA LEU A 49 12.247 10.328 3.771 1.00100.00 H new ATOM 0 HB2 LEU A 49 12.955 7.614 2.506 1.00100.00 H new ATOM 0 HB3 LEU A 49 12.681 7.890 4.214 1.00100.00 H new ATOM 0 HG LEU A 49 10.609 8.316 2.022 1.00100.00 H new ATOM 0 HD11 LEU A 49 9.544 6.291 3.016 1.00100.00 H new ATOM 0 HD12 LEU A 49 11.175 5.925 2.405 1.00100.00 H new ATOM 0 HD13 LEU A 49 10.906 6.141 4.151 1.00100.00 H new ATOM 0 HD21 LEU A 49 9.006 8.547 3.884 1.00100.00 H new ATOM 0 HD22 LEU A 49 10.343 8.415 5.051 1.00100.00 H new ATOM 0 HD23 LEU A 49 10.261 9.808 3.945 1.00100.00 H new ATOM 764 N LEU A 50 15.020 9.417 2.196 1.00100.00 N ATOM 765 CA LEU A 50 16.460 9.465 2.227 1.00100.00 C ATOM 766 C LEU A 50 17.012 10.855 2.300 1.00100.00 C ATOM 767 O LEU A 50 17.934 11.109 3.077 1.00100.00 O ATOM 768 CB LEU A 50 17.120 8.767 1.021 1.00100.00 C ATOM 769 CG LEU A 50 16.844 7.260 1.024 1.00100.00 C ATOM 770 CD1 LEU A 50 17.370 6.662 -0.279 1.00100.00 C ATOM 771 CD2 LEU A 50 17.538 6.575 2.201 1.00100.00 C ATOM 0 H LEU A 50 14.644 9.040 1.326 1.00100.00 H new ATOM 0 HA LEU A 50 16.706 8.928 3.143 1.00100.00 H new ATOM 0 HB2 LEU A 50 16.745 9.205 0.096 1.00100.00 H new ATOM 0 HB3 LEU A 50 18.196 8.941 1.043 1.00100.00 H new ATOM 0 HG LEU A 50 15.770 7.102 1.117 1.00100.00 H new ATOM 0 HD11 LEU A 50 17.180 5.589 -0.290 1.00100.00 H new ATOM 0 HD12 LEU A 50 16.864 7.129 -1.124 1.00100.00 H new ATOM 0 HD13 LEU A 50 18.443 6.841 -0.355 1.00100.00 H new ATOM 0 HD21 LEU A 50 17.324 5.506 2.178 1.00100.00 H new ATOM 0 HD22 LEU A 50 18.614 6.732 2.130 1.00100.00 H new ATOM 0 HD23 LEU A 50 17.171 6.998 3.136 1.00100.00 H new ATOM 783 N THR A 51 16.436 11.791 1.514 1.00100.00 N ATOM 784 CA THR A 51 16.902 13.153 1.482 1.00100.00 C ATOM 785 C THR A 51 16.243 13.948 2.575 1.00100.00 C ATOM 786 O THR A 51 15.250 14.653 2.360 1.00100.00 O ATOM 787 CB THR A 51 16.717 13.784 0.123 1.00100.00 C ATOM 788 OG1 THR A 51 15.371 13.691 -0.264 1.00100.00 O ATOM 789 CG2 THR A 51 17.581 13.074 -0.917 1.00100.00 C ATOM 0 H THR A 51 15.645 11.605 0.898 1.00100.00 H new ATOM 0 HA THR A 51 17.976 13.152 1.665 1.00100.00 H new ATOM 0 HB THR A 51 17.015 14.830 0.185 1.00100.00 H new ATOM 0 HG1 THR A 51 14.798 13.995 0.470 1.00100.00 H new ATOM 0 HG21 THR A 51 17.436 13.541 -1.891 1.00100.00 H new ATOM 0 HG22 THR A 51 18.630 13.149 -0.631 1.00100.00 H new ATOM 0 HG23 THR A 51 17.295 12.024 -0.972 1.00100.00 H new ATOM 797 N ASP A 52 16.815 13.840 3.796 1.00100.00 N ATOM 798 CA ASP A 52 16.273 14.532 4.928 1.00100.00 C ATOM 799 C ASP A 52 16.983 15.852 5.010 1.00100.00 C ATOM 800 O ASP A 52 18.169 15.944 5.336 1.00100.00 O ATOM 801 CB ASP A 52 16.436 13.733 6.252 1.00100.00 C ATOM 802 CG ASP A 52 15.920 14.537 7.438 1.00100.00 C ATOM 803 OD1 ASP A 52 14.848 15.161 7.281 1.00100.00 O ATOM 804 OD2 ASP A 52 16.610 14.517 8.480 1.00100.00 O1- ATOM 0 H ASP A 52 17.643 13.279 3.995 1.00100.00 H new ATOM 0 HA ASP A 52 15.199 14.664 4.797 1.00100.00 H new ATOM 0 HB2 ASP A 52 15.893 12.791 6.182 1.00100.00 H new ATOM 0 HB3 ASP A 52 17.486 13.485 6.405 1.00100.00 H new ATOM 809 N GLY A 53 16.226 16.902 4.643 1.00100.00 N ATOM 810 CA GLY A 53 16.660 18.268 4.659 1.00100.00 C ATOM 811 C GLY A 53 17.333 18.690 3.389 1.00100.00 C ATOM 812 O GLY A 53 17.534 19.885 3.194 1.00100.00 O ATOM 0 H GLY A 53 15.265 16.795 4.319 1.00100.00 H new ATOM 0 HA2 GLY A 53 15.800 18.913 4.838 1.00100.00 H new ATOM 0 HA3 GLY A 53 17.347 18.414 5.492 1.00100.00 H new ATOM 816 N GLU A 54 17.718 17.741 2.504 1.00100.00 N ATOM 817 CA GLU A 54 18.346 18.065 1.249 1.00100.00 C ATOM 818 C GLU A 54 17.361 18.695 0.306 1.00100.00 C ATOM 819 O GLU A 54 17.690 19.655 -0.391 1.00100.00 O ATOM 820 CB GLU A 54 19.046 16.863 0.594 1.00100.00 C ATOM 821 CG GLU A 54 20.120 16.305 1.529 1.00100.00 C ATOM 822 CD GLU A 54 20.824 15.095 0.924 1.00100.00 C ATOM 823 OE1 GLU A 54 20.493 14.749 -0.231 1.00100.00 O ATOM 824 OE2 GLU A 54 21.685 14.533 1.634 1.00100.00 O1- ATOM 0 H GLU A 54 17.593 16.741 2.660 1.00100.00 H new ATOM 0 HA GLU A 54 19.130 18.788 1.474 1.00100.00 H new ATOM 0 HB2 GLU A 54 18.315 16.088 0.364 1.00100.00 H new ATOM 0 HB3 GLU A 54 19.497 17.166 -0.351 1.00100.00 H new ATOM 0 HG2 GLU A 54 20.853 17.082 1.745 1.00100.00 H new ATOM 0 HG3 GLU A 54 19.665 16.024 2.479 1.00100.00 H new ATOM 831 N ASP A 55 16.118 18.155 0.296 1.00100.00 N ATOM 832 CA ASP A 55 15.024 18.604 -0.527 1.00100.00 C ATOM 833 C ASP A 55 14.634 20.015 -0.208 1.00100.00 C ATOM 834 O ASP A 55 14.462 20.821 -1.125 1.00100.00 O ATOM 835 CB ASP A 55 13.736 17.778 -0.306 1.00100.00 C ATOM 836 CG ASP A 55 13.856 16.352 -0.834 1.00100.00 C ATOM 837 OD1 ASP A 55 14.750 16.121 -1.680 1.00100.00 O ATOM 838 OD2 ASP A 55 13.037 15.517 -0.393 1.00100.00 O1- ATOM 0 H ASP A 55 15.865 17.367 0.892 1.00100.00 H new ATOM 0 HA ASP A 55 15.392 18.499 -1.548 1.00100.00 H new ATOM 0 HB2 ASP A 55 13.506 17.749 0.759 1.00100.00 H new ATOM 0 HB3 ASP A 55 12.901 18.275 -0.799 1.00100.00 H new ATOM 843 N ASP A 56 14.533 20.336 1.113 1.00100.00 N ATOM 844 CA ASP A 56 14.128 21.625 1.630 1.00100.00 C ATOM 845 C ASP A 56 12.799 22.074 1.066 1.00100.00 C ATOM 846 O ASP A 56 12.614 23.243 0.720 1.00100.00 O ATOM 847 CB ASP A 56 15.171 22.775 1.485 1.00100.00 C ATOM 848 CG ASP A 56 16.438 22.486 2.276 1.00100.00 C ATOM 849 OD1 ASP A 56 16.317 22.380 3.517 1.00100.00 O ATOM 850 OD2 ASP A 56 17.503 22.385 1.630 1.00100.00 O1- ATOM 0 H ASP A 56 14.744 19.665 1.851 1.00100.00 H new ATOM 0 HA ASP A 56 14.037 21.439 2.700 1.00100.00 H new ATOM 0 HB2 ASP A 56 15.421 22.909 0.433 1.00100.00 H new ATOM 0 HB3 ASP A 56 14.732 23.711 1.830 1.00100.00 H new ATOM 855 N VAL A 57 11.837 21.129 0.949 1.00100.00 N ATOM 856 CA VAL A 57 10.526 21.440 0.432 1.00100.00 C ATOM 857 C VAL A 57 9.604 21.439 1.622 1.00100.00 C ATOM 858 O VAL A 57 8.880 22.406 1.866 1.00100.00 O ATOM 859 CB VAL A 57 10.022 20.412 -0.582 1.00100.00 C ATOM 860 CG1 VAL A 57 8.616 20.778 -1.060 1.00100.00 C ATOM 861 CG2 VAL A 57 10.966 20.382 -1.784 1.00100.00 C ATOM 0 H VAL A 57 11.965 20.152 1.211 1.00100.00 H new ATOM 0 HA VAL A 57 10.562 22.396 -0.091 1.00100.00 H new ATOM 0 HB VAL A 57 9.991 19.433 -0.104 1.00100.00 H new ATOM 0 HG11 VAL A 57 8.272 20.036 -1.781 1.00100.00 H new ATOM 0 HG12 VAL A 57 7.936 20.798 -0.208 1.00100.00 H new ATOM 0 HG13 VAL A 57 8.636 21.760 -1.532 1.00100.00 H new ATOM 0 HG21 VAL A 57 10.609 19.650 -2.509 1.00100.00 H new ATOM 0 HG22 VAL A 57 10.995 21.368 -2.248 1.00100.00 H new ATOM 0 HG23 VAL A 57 11.968 20.107 -1.453 1.00100.00 H new ATOM 871 N PHE A 58 9.657 20.339 2.406 1.00100.00 N ATOM 872 CA PHE A 58 8.836 20.151 3.565 1.00100.00 C ATOM 873 C PHE A 58 9.058 21.081 4.703 1.00100.00 C ATOM 874 O PHE A 58 8.079 21.486 5.331 1.00100.00 O ATOM 875 CB PHE A 58 8.691 18.673 3.964 1.00100.00 C ATOM 876 CG PHE A 58 7.637 18.033 3.091 1.00100.00 C ATOM 877 CD1 PHE A 58 7.911 17.767 1.742 1.00100.00 C ATOM 878 CD2 PHE A 58 6.344 17.831 3.596 1.00100.00 C ATOM 879 CE1 PHE A 58 6.893 17.301 0.899 1.00100.00 C ATOM 880 CE2 PHE A 58 5.330 17.353 2.755 1.00100.00 C ATOM 881 CZ PHE A 58 5.604 17.090 1.407 1.00100.00 C ATOM 0 H PHE A 58 10.290 19.560 2.226 1.00100.00 H new ATOM 0 HA PHE A 58 7.851 20.471 3.226 1.00100.00 H new ATOM 0 HB2 PHE A 58 9.643 18.155 3.847 1.00100.00 H new ATOM 0 HB3 PHE A 58 8.411 18.592 5.014 1.00100.00 H new ATOM 0 HD1 PHE A 58 8.906 17.921 1.353 1.00100.00 H new ATOM 0 HD2 PHE A 58 6.130 18.044 4.633 1.00100.00 H new ATOM 0 HE1 PHE A 58 7.102 17.104 -0.142 1.00100.00 H new ATOM 0 HE2 PHE A 58 4.337 17.187 3.146 1.00100.00 H new ATOM 0 HZ PHE A 58 4.822 16.724 0.759 1.00100.00 H new ATOM 891 N ASP A 59 10.333 21.443 4.991 1.00100.00 N ATOM 892 CA ASP A 59 10.629 22.351 6.078 1.00100.00 C ATOM 893 C ASP A 59 9.998 23.722 5.875 1.00100.00 C ATOM 894 O ASP A 59 9.337 24.176 6.813 1.00100.00 O ATOM 895 CB ASP A 59 12.150 22.474 6.373 1.00100.00 C ATOM 896 CG ASP A 59 12.750 21.099 6.635 1.00100.00 C ATOM 897 OD1 ASP A 59 12.358 20.494 7.656 1.00100.00 O ATOM 898 OD2 ASP A 59 13.581 20.674 5.803 1.00100.00 O1- ATOM 0 H ASP A 59 11.151 21.113 4.479 1.00100.00 H new ATOM 0 HA ASP A 59 10.172 21.904 6.961 1.00100.00 H new ATOM 0 HB2 ASP A 59 12.654 22.944 5.529 1.00100.00 H new ATOM 0 HB3 ASP A 59 12.309 23.118 7.238 1.00100.00 H new ATOM 903 N PRO A 60 10.105 24.414 4.687 1.00100.00 N ATOM 904 CA PRO A 60 9.464 25.698 4.497 1.00100.00 C ATOM 905 C PRO A 60 7.974 25.588 4.295 1.00100.00 C ATOM 906 O PRO A 60 7.305 26.608 4.467 1.00100.00 O ATOM 907 CB PRO A 60 10.173 26.371 3.325 1.00100.00 C ATOM 908 CG PRO A 60 10.608 25.157 2.499 1.00100.00 C ATOM 909 CD PRO A 60 10.955 24.104 3.556 1.00100.00 C ATOM 0 HA PRO A 60 9.559 26.305 5.398 1.00100.00 H new ATOM 0 HB2 PRO A 60 9.509 27.031 2.767 1.00100.00 H new ATOM 0 HB3 PRO A 60 11.022 26.973 3.649 1.00100.00 H new ATOM 0 HG2 PRO A 60 9.810 24.815 1.840 1.00100.00 H new ATOM 0 HG3 PRO A 60 11.466 25.389 1.868 1.00100.00 H new ATOM 0 HD2 PRO A 60 10.767 23.096 3.186 1.00100.00 H new ATOM 0 HD3 PRO A 60 12.009 24.152 3.830 1.00100.00 H new ATOM 917 N ASP A 61 7.454 24.381 3.938 1.00100.00 N ATOM 918 CA ASP A 61 6.056 24.086 3.699 1.00100.00 C ATOM 919 C ASP A 61 5.447 25.022 2.675 1.00100.00 C ATOM 920 O ASP A 61 4.351 25.566 2.851 1.00100.00 O ATOM 921 CB ASP A 61 5.231 24.009 5.017 1.00100.00 C ATOM 922 CG ASP A 61 3.814 23.515 4.754 1.00100.00 C ATOM 923 OD1 ASP A 61 3.696 22.404 4.193 1.00100.00 O ATOM 924 OD2 ASP A 61 2.877 24.259 5.114 1.00100.00 O1- ATOM 0 H ASP A 61 8.048 23.562 3.809 1.00100.00 H new ATOM 0 HA ASP A 61 6.013 23.087 3.265 1.00100.00 H new ATOM 0 HB2 ASP A 61 5.727 23.340 5.721 1.00100.00 H new ATOM 0 HB3 ASP A 61 5.195 24.993 5.484 1.00100.00 H new ATOM 929 N LEU A 62 6.194 25.237 1.570 1.00100.00 N ATOM 930 CA LEU A 62 5.763 26.091 0.500 1.00100.00 C ATOM 931 C LEU A 62 5.416 25.211 -0.653 1.00100.00 C ATOM 932 O LEU A 62 6.208 24.355 -1.058 1.00100.00 O ATOM 933 CB LEU A 62 6.839 27.069 -0.030 1.00100.00 C ATOM 934 CG LEU A 62 7.301 28.020 1.077 1.00100.00 C ATOM 935 CD1 LEU A 62 8.439 28.888 0.543 1.00100.00 C ATOM 936 CD2 LEU A 62 6.158 28.918 1.547 1.00100.00 C ATOM 0 H LEU A 62 7.109 24.812 1.418 1.00100.00 H new ATOM 0 HA LEU A 62 4.942 26.687 0.898 1.00100.00 H new ATOM 0 HB2 LEU A 62 7.691 26.507 -0.412 1.00100.00 H new ATOM 0 HB3 LEU A 62 6.436 27.643 -0.864 1.00100.00 H new ATOM 0 HG LEU A 62 7.640 27.426 1.926 1.00100.00 H new ATOM 0 HD11 LEU A 62 8.775 29.569 1.325 1.00100.00 H new ATOM 0 HD12 LEU A 62 9.269 28.251 0.235 1.00100.00 H new ATOM 0 HD13 LEU A 62 8.087 29.464 -0.313 1.00100.00 H new ATOM 0 HD21 LEU A 62 6.517 29.582 2.333 1.00100.00 H new ATOM 0 HD22 LEU A 62 5.794 29.512 0.709 1.00100.00 H new ATOM 0 HD23 LEU A 62 5.347 28.302 1.935 1.00100.00 H new ATOM 948 N ASP A 63 4.189 25.398 -1.182 1.00100.00 N ATOM 949 CA ASP A 63 3.729 24.648 -2.313 1.00100.00 C ATOM 950 C ASP A 63 3.604 25.690 -3.383 1.00100.00 C ATOM 951 O ASP A 63 2.852 26.658 -3.230 1.00100.00 O ATOM 952 CB ASP A 63 2.343 23.986 -2.092 1.00100.00 C ATOM 953 CG ASP A 63 1.866 23.305 -3.369 1.00100.00 C ATOM 954 OD1 ASP A 63 2.552 22.350 -3.796 1.00100.00 O1- ATOM 955 OD2 ASP A 63 0.829 23.756 -3.901 1.00100.00 O ATOM 0 H ASP A 63 3.513 26.073 -0.823 1.00100.00 H new ATOM 0 HA ASP A 63 4.409 23.827 -2.539 1.00100.00 H new ATOM 0 HB2 ASP A 63 2.407 23.255 -1.286 1.00100.00 H new ATOM 0 HB3 ASP A 63 1.619 24.740 -1.783 1.00100.00 H new ATOM 960 N MET A 64 4.380 25.516 -4.475 1.00100.00 N ATOM 961 CA MET A 64 4.332 26.433 -5.575 1.00100.00 C ATOM 962 C MET A 64 3.830 25.641 -6.734 1.00100.00 C ATOM 963 O MET A 64 4.522 24.776 -7.279 1.00100.00 O ATOM 964 CB MET A 64 5.688 27.075 -5.928 1.00100.00 C ATOM 965 CG MET A 64 6.199 27.895 -4.745 1.00100.00 C ATOM 966 SD MET A 64 7.873 28.542 -4.972 1.00100.00 S ATOM 967 CE MET A 64 8.798 26.988 -4.868 1.00100.00 C ATOM 0 H MET A 64 5.036 24.744 -4.594 1.00100.00 H new ATOM 0 HA MET A 64 3.690 27.273 -5.309 1.00100.00 H new ATOM 0 HB2 MET A 64 6.411 26.301 -6.184 1.00100.00 H new ATOM 0 HB3 MET A 64 5.581 27.714 -6.805 1.00100.00 H new ATOM 0 HG2 MET A 64 5.518 28.728 -4.572 1.00100.00 H new ATOM 0 HG3 MET A 64 6.178 27.275 -3.849 1.00100.00 H new ATOM 0 HE1 MET A 64 9.857 27.182 -5.040 1.00100.00 H new ATOM 0 HE2 MET A 64 8.666 26.551 -3.878 1.00100.00 H new ATOM 0 HE3 MET A 64 8.429 26.294 -5.623 1.00100.00 H new ATOM 977 N GLU A 65 2.601 25.999 -7.153 1.00100.00 N ATOM 978 CA GLU A 65 1.890 25.380 -8.235 1.00100.00 C ATOM 979 C GLU A 65 2.570 25.556 -9.553 1.00100.00 C ATOM 980 O GLU A 65 2.687 24.599 -10.315 1.00100.00 O ATOM 981 CB GLU A 65 0.448 25.904 -8.348 1.00100.00 C ATOM 982 CG GLU A 65 -0.335 25.554 -7.083 1.00100.00 C ATOM 983 CD GLU A 65 -1.798 25.957 -7.221 1.00100.00 C ATOM 984 OE1 GLU A 65 -2.034 27.109 -7.643 1.00100.00 O ATOM 985 OE2 GLU A 65 -2.652 25.102 -6.901 1.00100.00 O1- ATOM 0 H GLU A 65 2.076 26.757 -6.717 1.00100.00 H new ATOM 0 HA GLU A 65 1.874 24.317 -7.994 1.00100.00 H new ATOM 0 HB2 GLU A 65 0.455 26.984 -8.494 1.00100.00 H new ATOM 0 HB3 GLU A 65 -0.039 25.467 -9.220 1.00100.00 H new ATOM 0 HG2 GLU A 65 -0.265 24.483 -6.892 1.00100.00 H new ATOM 0 HG3 GLU A 65 0.107 26.061 -6.225 1.00100.00 H new ATOM 992 N VAL A 66 3.081 26.783 -9.805 1.00100.00 N ATOM 993 CA VAL A 66 3.751 27.166 -11.022 1.00100.00 C ATOM 994 C VAL A 66 4.991 26.329 -11.226 1.00100.00 C ATOM 995 O VAL A 66 5.210 25.834 -12.334 1.00100.00 O ATOM 996 CB VAL A 66 4.102 28.655 -11.003 1.00100.00 C ATOM 997 CG1 VAL A 66 4.808 29.045 -12.302 1.00100.00 C ATOM 998 CG2 VAL A 66 2.829 29.489 -10.857 1.00100.00 C ATOM 0 H VAL A 66 3.025 27.544 -9.129 1.00100.00 H new ATOM 0 HA VAL A 66 3.073 26.989 -11.857 1.00100.00 H new ATOM 0 HB VAL A 66 4.764 28.845 -10.158 1.00100.00 H new ATOM 0 HG11 VAL A 66 5.053 30.107 -12.278 1.00100.00 H new ATOM 0 HG12 VAL A 66 5.724 28.463 -12.407 1.00100.00 H new ATOM 0 HG13 VAL A 66 4.151 28.843 -13.148 1.00100.00 H new ATOM 0 HG21 VAL A 66 3.087 30.548 -10.844 1.00100.00 H new ATOM 0 HG22 VAL A 66 2.164 29.288 -11.697 1.00100.00 H new ATOM 0 HG23 VAL A 66 2.327 29.227 -9.926 1.00100.00 H new ATOM 1008 N VAL A 67 5.799 26.129 -10.153 1.00100.00 N ATOM 1009 CA VAL A 67 7.024 25.367 -10.229 1.00100.00 C ATOM 1010 C VAL A 67 6.759 23.936 -10.610 1.00100.00 C ATOM 1011 O VAL A 67 7.401 23.444 -11.541 1.00100.00 O ATOM 1012 CB VAL A 67 7.820 25.448 -8.929 1.00100.00 C ATOM 1013 CG1 VAL A 67 9.086 24.595 -9.013 1.00100.00 C ATOM 1014 CG2 VAL A 67 8.207 26.900 -8.653 1.00100.00 C ATOM 0 H VAL A 67 5.600 26.500 -9.224 1.00100.00 H new ATOM 0 HA VAL A 67 7.631 25.815 -11.016 1.00100.00 H new ATOM 0 HB VAL A 67 7.196 25.070 -8.120 1.00100.00 H new ATOM 0 HG11 VAL A 67 9.637 24.668 -8.075 1.00100.00 H new ATOM 0 HG12 VAL A 67 8.813 23.555 -9.193 1.00100.00 H new ATOM 0 HG13 VAL A 67 9.712 24.952 -9.831 1.00100.00 H new ATOM 0 HG21 VAL A 67 8.775 26.955 -7.724 1.00100.00 H new ATOM 0 HG22 VAL A 67 8.817 27.276 -9.474 1.00100.00 H new ATOM 0 HG23 VAL A 67 7.305 27.506 -8.563 1.00100.00 H new ATOM 1024 N PHE A 68 5.789 23.265 -9.936 1.00100.00 N ATOM 1025 CA PHE A 68 5.515 21.892 -10.261 1.00100.00 C ATOM 1026 C PHE A 68 4.863 21.672 -11.592 1.00100.00 C ATOM 1027 O PHE A 68 5.241 20.743 -12.308 1.00100.00 O ATOM 1028 CB PHE A 68 4.906 21.019 -9.127 1.00100.00 C ATOM 1029 CG PHE A 68 3.419 21.091 -8.889 1.00100.00 C ATOM 1030 CD1 PHE A 68 2.559 20.239 -9.595 1.00100.00 C ATOM 1031 CD2 PHE A 68 2.911 21.920 -7.879 1.00100.00 C ATOM 1032 CE1 PHE A 68 1.189 20.227 -9.301 1.00100.00 C ATOM 1033 CE2 PHE A 68 1.542 21.907 -7.583 1.00100.00 C ATOM 1034 CZ PHE A 68 0.680 21.063 -8.296 1.00100.00 C ATOM 0 H PHE A 68 5.215 23.660 -9.192 1.00100.00 H new ATOM 0 HA PHE A 68 6.526 21.499 -10.367 1.00100.00 H new ATOM 0 HB2 PHE A 68 5.159 19.980 -9.335 1.00100.00 H new ATOM 0 HB3 PHE A 68 5.405 21.288 -8.196 1.00100.00 H new ATOM 0 HD1 PHE A 68 2.952 19.592 -10.365 1.00100.00 H new ATOM 0 HD2 PHE A 68 3.576 22.569 -7.329 1.00100.00 H new ATOM 0 HE1 PHE A 68 0.525 19.574 -9.848 1.00100.00 H new ATOM 0 HE2 PHE A 68 1.151 22.547 -6.806 1.00100.00 H new ATOM 0 HZ PHE A 68 -0.376 21.056 -8.072 1.00100.00 H new ATOM 1044 N GLU A 69 3.916 22.561 -11.970 1.00100.00 N ATOM 1045 CA GLU A 69 3.190 22.422 -13.202 1.00100.00 C ATOM 1046 C GLU A 69 3.921 22.955 -14.398 1.00100.00 C ATOM 1047 O GLU A 69 3.644 24.043 -14.909 1.00100.00 O ATOM 1048 CB GLU A 69 1.770 23.030 -13.150 1.00100.00 C ATOM 1049 CG GLU A 69 0.914 22.361 -12.079 1.00100.00 C ATOM 1050 CD GLU A 69 -0.485 22.962 -12.068 1.00100.00 C ATOM 1051 OE1 GLU A 69 -0.607 24.106 -11.580 1.00100.00 O ATOM 1052 OE2 GLU A 69 -1.406 22.268 -12.551 1.00100.00 O1- ATOM 0 H GLU A 69 3.654 23.378 -11.419 1.00100.00 H new ATOM 0 HA GLU A 69 3.096 21.343 -13.321 1.00100.00 H new ATOM 0 HB2 GLU A 69 1.838 24.099 -12.948 1.00100.00 H new ATOM 0 HB3 GLU A 69 1.290 22.920 -14.122 1.00100.00 H new ATOM 0 HG2 GLU A 69 0.855 21.289 -12.268 1.00100.00 H new ATOM 0 HG3 GLU A 69 1.379 22.487 -11.101 1.00100.00 H new