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+ 140:sc= 0 (180deg=-0.492) USER MOD Set 1.2: A 64 MET CE :methyl -178:sc= -0.285 (180deg=-0.293) USER MOD Set 2.1: A 14 CYS SG : rot 145:sc= 0.384 USER MOD Set 2.2: A 23 CYS SG : rot -18:sc= 0.946 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=-0.00847 (180deg=0) USER MOD Set 3.2: A 11 GLN : amide:sc= 0.466 K(o=0.46,f=-7.5!) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0235 (180deg=0) USER MOD Single : A 2 SER OG : rot 172:sc= 0.221 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= 0.279 USER MOD Single : A 8 THR OG1 : rot 80:sc= 0.553 USER MOD Single : A 16 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.12) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0447 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.727 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.0463 (180deg=-0.377) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.00349 K(o=-0.0035,f=-1.1) 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 180:sc= -0.0762 USER MOD Single : A 51 THR OG1 : rot 45:sc= -0.827 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.616 -10.430 -14.171 1.00100.00 N ATOM 2 CA GLY A 1 -11.825 -11.427 -13.426 1.00100.00 C ATOM 3 C GLY A 1 -10.791 -12.029 -14.317 1.00100.00 C ATOM 4 O GLY A 1 -11.015 -12.282 -15.503 1.00100.00 O ATOM 0 H1 GLY A 1 -13.628 -10.574 -13.977 1.00100.00 H new ATOM 0 H2 GLY A 1 -12.339 -9.473 -13.872 1.00100.00 H new ATOM 0 H3 GLY A 1 -12.440 -10.539 -15.190 1.00100.00 H new ATOM 0 HA2 GLY A 1 -11.347 -10.956 -12.567 1.00100.00 H new ATOM 0 HA3 GLY A 1 -12.480 -12.207 -13.038 1.00100.00 H new ATOM 10 N SER A 2 -9.605 -12.231 -13.703 1.00100.00 N ATOM 11 CA SER A 2 -8.475 -12.801 -14.379 1.00100.00 C ATOM 12 C SER A 2 -7.961 -13.945 -13.565 1.00100.00 C ATOM 13 O SER A 2 -8.135 -13.985 -12.341 1.00100.00 O ATOM 14 CB SER A 2 -7.321 -11.794 -14.616 1.00100.00 C ATOM 15 OG SER A 2 -6.837 -11.325 -13.376 1.00100.00 O ATOM 0 H SER A 2 -9.429 -11.996 -12.726 1.00100.00 H new ATOM 0 HA SER A 2 -8.818 -13.122 -15.362 1.00100.00 H new ATOM 0 HB2 SER A 2 -6.516 -12.273 -15.174 1.00100.00 H new ATOM 0 HB3 SER A 2 -7.673 -10.958 -15.220 1.00100.00 H new ATOM 0 HG SER A 2 -6.026 -10.794 -13.521 1.00100.00 H new ATOM 21 N THR A 3 -7.326 -14.919 -14.255 1.00100.00 N ATOM 22 CA THR A 3 -6.777 -16.073 -13.603 1.00100.00 C ATOM 23 C THR A 3 -5.416 -15.666 -13.118 1.00100.00 C ATOM 24 O THR A 3 -4.389 -15.861 -13.768 1.00100.00 O ATOM 25 CB THR A 3 -6.728 -17.297 -14.493 1.00100.00 C ATOM 26 OG1 THR A 3 -8.027 -17.584 -14.963 1.00100.00 O ATOM 27 CG2 THR A 3 -6.202 -18.500 -13.711 1.00100.00 C ATOM 0 H THR A 3 -7.194 -14.905 -15.266 1.00100.00 H new ATOM 0 HA THR A 3 -7.417 -16.380 -12.776 1.00100.00 H new ATOM 0 HB THR A 3 -6.061 -17.097 -15.332 1.00100.00 H new ATOM 0 HG1 THR A 3 -7.998 -18.375 -15.541 1.00100.00 H new ATOM 0 HG21 THR A 3 -6.172 -19.373 -14.363 1.00100.00 H new ATOM 0 HG22 THR A 3 -5.198 -18.285 -13.345 1.00100.00 H new ATOM 0 HG23 THR A 3 -6.861 -18.701 -12.866 1.00100.00 H new ATOM 35 N ALA A 4 -5.434 -15.020 -11.940 1.00100.00 N ATOM 36 CA ALA A 4 -4.268 -14.543 -11.269 1.00100.00 C ATOM 37 C ALA A 4 -4.181 -15.388 -10.047 1.00100.00 C ATOM 38 O ALA A 4 -5.198 -15.731 -9.433 1.00100.00 O ATOM 39 CB ALA A 4 -4.376 -13.072 -10.817 1.00100.00 C ATOM 0 H ALA A 4 -6.298 -14.822 -11.434 1.00100.00 H new ATOM 0 HA ALA A 4 -3.408 -14.597 -11.937 1.00100.00 H new ATOM 0 HB1 ALA A 4 -3.455 -12.777 -10.315 1.00100.00 H new ATOM 0 HB2 ALA A 4 -4.535 -12.435 -11.687 1.00100.00 H new ATOM 0 HB3 ALA A 4 -5.215 -12.963 -10.130 1.00100.00 H new ATOM 45 N MET A 5 -2.931 -15.750 -9.684 1.00100.00 N ATOM 46 CA MET A 5 -2.691 -16.571 -8.531 1.00100.00 C ATOM 47 C MET A 5 -3.142 -15.874 -7.280 1.00100.00 C ATOM 48 O MET A 5 -3.068 -14.646 -7.176 1.00100.00 O ATOM 49 CB MET A 5 -1.212 -17.006 -8.380 1.00100.00 C ATOM 50 CG MET A 5 -0.311 -15.856 -7.922 1.00100.00 C ATOM 51 SD MET A 5 -0.231 -14.436 -9.044 1.00100.00 S ATOM 52 CE MET A 5 0.884 -13.380 -8.083 1.00100.00 C ATOM 0 H MET A 5 -2.088 -15.474 -10.189 1.00100.00 H new ATOM 0 HA MET A 5 -3.276 -17.478 -8.684 1.00100.00 H new ATOM 0 HB2 MET A 5 -1.148 -17.823 -7.661 1.00100.00 H new ATOM 0 HB3 MET A 5 -0.850 -17.391 -9.333 1.00100.00 H new ATOM 0 HG2 MET A 5 -0.660 -15.509 -6.949 1.00100.00 H new ATOM 0 HG3 MET A 5 0.698 -16.242 -7.780 1.00100.00 H new ATOM 0 HE1 MET A 5 1.054 -12.447 -8.620 1.00100.00 H new ATOM 0 HE2 MET A 5 0.435 -13.164 -7.114 1.00100.00 H new ATOM 0 HE3 MET A 5 1.835 -13.893 -7.936 1.00100.00 H new ATOM 62 N ALA A 6 -3.959 -16.636 -6.515 1.00100.00 N ATOM 63 CA ALA A 6 -4.568 -16.247 -5.268 1.00100.00 C ATOM 64 C ALA A 6 -5.451 -15.024 -5.403 1.00100.00 C ATOM 65 O ALA A 6 -5.634 -14.266 -4.448 1.00100.00 O ATOM 66 CB ALA A 6 -3.531 -16.061 -4.132 1.00100.00 C ATOM 0 H ALA A 6 -4.210 -17.587 -6.786 1.00100.00 H new ATOM 0 HA ALA A 6 -5.213 -17.080 -4.988 1.00100.00 H new ATOM 0 HB1 ALA A 6 -4.044 -15.768 -3.216 1.00100.00 H new ATOM 0 HB2 ALA A 6 -3.000 -16.998 -3.967 1.00100.00 H new ATOM 0 HB3 ALA A 6 -2.819 -15.285 -4.413 1.00100.00 H new ATOM 72 N THR A 7 -6.033 -14.836 -6.620 1.00100.00 N ATOM 73 CA THR A 7 -6.917 -13.759 -7.000 1.00100.00 C ATOM 74 C THR A 7 -6.354 -12.387 -6.680 1.00100.00 C ATOM 75 O THR A 7 -7.050 -11.508 -6.167 1.00100.00 O ATOM 76 CB THR A 7 -8.348 -13.954 -6.526 1.00100.00 C ATOM 77 OG1 THR A 7 -8.394 -13.959 -5.116 1.00100.00 O ATOM 78 CG2 THR A 7 -8.903 -15.276 -7.057 1.00100.00 C ATOM 0 H THR A 7 -5.871 -15.485 -7.390 1.00100.00 H new ATOM 0 HA THR A 7 -6.975 -13.801 -8.088 1.00100.00 H new ATOM 0 HB THR A 7 -8.955 -13.131 -6.904 1.00100.00 H new ATOM 0 HG1 THR A 7 -7.483 -13.901 -4.759 1.00100.00 H new ATOM 0 HG21 THR A 7 -9.929 -15.405 -6.711 1.00100.00 H new ATOM 0 HG22 THR A 7 -8.886 -15.266 -8.147 1.00100.00 H new ATOM 0 HG23 THR A 7 -8.291 -16.101 -6.692 1.00100.00 H new ATOM 86 N THR A 8 -5.043 -12.195 -6.977 1.00100.00 N ATOM 87 CA THR A 8 -4.344 -10.952 -6.736 1.00100.00 C ATOM 88 C THR A 8 -4.816 -9.950 -7.760 1.00100.00 C ATOM 89 O THR A 8 -5.006 -10.283 -8.932 1.00100.00 O ATOM 90 CB THR A 8 -2.837 -11.133 -6.782 1.00100.00 C ATOM 91 OG1 THR A 8 -2.461 -12.088 -5.814 1.00100.00 O ATOM 92 CG2 THR A 8 -2.115 -9.818 -6.494 1.00100.00 C ATOM 0 H THR A 8 -4.456 -12.918 -7.393 1.00100.00 H new ATOM 0 HA THR A 8 -4.569 -10.592 -5.732 1.00100.00 H new ATOM 0 HB THR A 8 -2.557 -11.468 -7.781 1.00100.00 H new ATOM 0 HG1 THR A 8 -2.623 -12.989 -6.163 1.00100.00 H new ATOM 0 HG21 THR A 8 -1.038 -9.978 -6.534 1.00100.00 H new ATOM 0 HG22 THR A 8 -2.399 -9.076 -7.240 1.00100.00 H new ATOM 0 HG23 THR A 8 -2.392 -9.460 -5.502 1.00100.00 H new ATOM 100 N MET A 9 -5.034 -8.691 -7.305 1.00100.00 N ATOM 101 CA MET A 9 -5.499 -7.641 -8.170 1.00100.00 C ATOM 102 C MET A 9 -4.313 -7.171 -8.967 1.00100.00 C ATOM 103 O MET A 9 -3.201 -7.042 -8.453 1.00100.00 O ATOM 104 CB MET A 9 -6.119 -6.447 -7.418 1.00100.00 C ATOM 105 CG MET A 9 -6.949 -5.620 -8.397 1.00100.00 C ATOM 106 SD MET A 9 -8.397 -6.514 -9.024 1.00100.00 S ATOM 107 CE MET A 9 -9.005 -5.303 -10.222 1.00100.00 C ATOM 0 H MET A 9 -4.887 -8.404 -6.337 1.00100.00 H new ATOM 0 HA MET A 9 -6.295 -8.041 -8.798 1.00100.00 H new ATOM 0 HB2 MET A 9 -6.745 -6.802 -6.599 1.00100.00 H new ATOM 0 HB3 MET A 9 -5.335 -5.832 -6.976 1.00100.00 H new ATOM 0 HG2 MET A 9 -7.278 -4.705 -7.904 1.00100.00 H new ATOM 0 HG3 MET A 9 -6.321 -5.321 -9.236 1.00100.00 H new ATOM 0 HE1 MET A 9 -10.019 -5.567 -10.524 1.00100.00 H new ATOM 0 HE2 MET A 9 -9.008 -4.312 -9.768 1.00100.00 H new ATOM 0 HE3 MET A 9 -8.355 -5.299 -11.097 1.00100.00 H new ATOM 117 N GLU A 10 -4.521 -7.098 -10.294 1.00100.00 N ATOM 118 CA GLU A 10 -3.523 -6.723 -11.257 1.00100.00 C ATOM 119 C GLU A 10 -2.951 -5.344 -11.161 1.00100.00 C ATOM 120 O GLU A 10 -1.732 -5.208 -11.289 1.00100.00 O ATOM 121 CB GLU A 10 -4.002 -6.928 -12.701 1.00100.00 C ATOM 122 CG GLU A 10 -4.430 -8.379 -12.921 1.00100.00 C ATOM 123 CD GLU A 10 -4.859 -8.625 -14.363 1.00100.00 C ATOM 124 OE1 GLU A 10 -5.356 -7.662 -14.986 1.00100.00 O1- ATOM 125 OE2 GLU A 10 -4.688 -9.778 -14.814 1.00100.00 O ATOM 0 H GLU A 10 -5.424 -7.309 -10.718 1.00100.00 H new ATOM 0 HA GLU A 10 -2.716 -7.405 -10.990 1.00100.00 H new ATOM 0 HB2 GLU A 10 -4.837 -6.260 -12.912 1.00100.00 H new ATOM 0 HB3 GLU A 10 -3.203 -6.669 -13.396 1.00100.00 H new ATOM 0 HG2 GLU A 10 -3.605 -9.045 -12.668 1.00100.00 H new ATOM 0 HG3 GLU A 10 -5.253 -8.622 -12.249 1.00100.00 H new ATOM 132 N GLN A 11 -3.788 -4.304 -10.906 1.00100.00 N ATOM 133 CA GLN A 11 -3.254 -2.959 -10.859 1.00100.00 C ATOM 134 C GLN A 11 -2.409 -2.696 -9.652 1.00100.00 C ATOM 135 O GLN A 11 -2.517 -3.354 -8.612 1.00100.00 O ATOM 136 CB GLN A 11 -4.241 -1.765 -10.991 1.00100.00 C ATOM 137 CG GLN A 11 -5.311 -1.797 -9.901 1.00100.00 C ATOM 138 CD GLN A 11 -6.591 -2.463 -10.380 1.00100.00 C ATOM 139 OE1 GLN A 11 -6.551 -3.486 -11.059 1.00100.00 O ATOM 140 NE2 GLN A 11 -7.737 -1.877 -10.022 1.00100.00 N ATOM 0 H GLN A 11 -4.791 -4.385 -10.739 1.00100.00 H new ATOM 0 HA GLN A 11 -2.668 -2.979 -11.778 1.00100.00 H new ATOM 0 HB2 GLN A 11 -3.689 -0.827 -10.932 1.00100.00 H new ATOM 0 HB3 GLN A 11 -4.718 -1.793 -11.971 1.00100.00 H new ATOM 0 HG2 GLN A 11 -4.927 -2.331 -9.032 1.00100.00 H new ATOM 0 HG3 GLN A 11 -5.531 -0.779 -9.578 1.00100.00 H new ATOM 0 HE21 GLN A 11 -7.721 -1.028 -9.457 1.00100.00 H new ATOM 0 HE22 GLN A 11 -8.628 -2.279 -10.314 1.00100.00 H new ATOM 149 N GLU A 12 -1.534 -1.680 -9.806 1.00100.00 N ATOM 150 CA GLU A 12 -0.613 -1.264 -8.793 1.00100.00 C ATOM 151 C GLU A 12 -1.325 -0.362 -7.813 1.00100.00 C ATOM 152 O GLU A 12 -1.355 0.862 -7.938 1.00100.00 O ATOM 153 CB GLU A 12 0.638 -0.592 -9.404 1.00100.00 C ATOM 154 CG GLU A 12 1.315 -1.452 -10.469 1.00100.00 C ATOM 155 CD GLU A 12 2.661 -0.866 -10.873 1.00100.00 C ATOM 156 OE1 GLU A 12 2.791 0.377 -10.816 1.00100.00 O ATOM 157 OE2 GLU A 12 3.545 -1.674 -11.231 1.00100.00 O1- ATOM 0 H GLU A 12 -1.467 -1.132 -10.664 1.00100.00 H new ATOM 0 HA GLU A 12 -0.251 -2.141 -8.256 1.00100.00 H new ATOM 0 HB2 GLU A 12 0.353 0.364 -9.844 1.00100.00 H new ATOM 0 HB3 GLU A 12 1.353 -0.377 -8.610 1.00100.00 H new ATOM 0 HG2 GLU A 12 1.455 -2.464 -10.089 1.00100.00 H new ATOM 0 HG3 GLU A 12 0.670 -1.527 -11.344 1.00100.00 H new ATOM 164 N ILE A 13 -1.942 -1.020 -6.804 1.00100.00 N ATOM 165 CA ILE A 13 -2.717 -0.396 -5.760 1.00100.00 C ATOM 166 C ILE A 13 -2.018 0.160 -4.548 1.00100.00 C ATOM 167 O ILE A 13 -2.668 0.875 -3.781 1.00100.00 O ATOM 168 CB ILE A 13 -3.904 -1.237 -5.287 1.00100.00 C ATOM 169 CG1 ILE A 13 -3.506 -2.604 -4.717 1.00100.00 C ATOM 170 CG2 ILE A 13 -4.829 -1.490 -6.472 1.00100.00 C ATOM 171 CD1 ILE A 13 -2.835 -2.497 -3.348 1.00100.00 C ATOM 0 H ILE A 13 -1.899 -2.035 -6.711 1.00100.00 H new ATOM 0 HA ILE A 13 -3.040 0.482 -6.319 1.00100.00 H new ATOM 0 HB ILE A 13 -4.383 -0.670 -4.489 1.00100.00 H new ATOM 0 HG12 ILE A 13 -4.393 -3.231 -4.635 1.00100.00 H new ATOM 0 HG13 ILE A 13 -2.828 -3.100 -5.412 1.00100.00 H new ATOM 0 HG21 ILE A 13 -5.680 -2.089 -6.148 1.00100.00 H new ATOM 0 HG22 ILE A 13 -5.184 -0.538 -6.866 1.00100.00 H new ATOM 0 HG23 ILE A 13 -4.285 -2.024 -7.251 1.00100.00 H new ATOM 0 HD11 ILE A 13 -2.574 -3.494 -2.992 1.00100.00 H new ATOM 0 HD12 ILE A 13 -1.931 -1.894 -3.432 1.00100.00 H new ATOM 0 HD13 ILE A 13 -3.520 -2.027 -2.643 1.00100.00 H new ATOM 183 N CYS A 14 -0.707 -0.122 -4.336 1.00100.00 N ATOM 184 CA CYS A 14 0.009 0.383 -3.178 1.00100.00 C ATOM 185 C CYS A 14 0.070 1.880 -3.250 1.00100.00 C ATOM 186 O CYS A 14 0.126 2.474 -4.329 1.00100.00 O ATOM 187 CB CYS A 14 1.425 -0.195 -2.945 1.00100.00 C ATOM 188 SG CYS A 14 2.093 0.337 -1.348 1.00100.00 S ATOM 0 H CYS A 14 -0.142 -0.697 -4.961 1.00100.00 H new ATOM 0 HA CYS A 14 -0.565 0.040 -2.317 1.00100.00 H new ATOM 0 HB2 CYS A 14 1.387 -1.284 -2.982 1.00100.00 H new ATOM 0 HB3 CYS A 14 2.089 0.128 -3.746 1.00100.00 H new ATOM 0 HG CYS A 14 2.816 -0.617 -0.841 1.00100.00 H new ATOM 193 N ALA A 15 0.048 2.505 -2.051 1.00100.00 N ATOM 194 CA ALA A 15 0.030 3.932 -1.857 1.00100.00 C ATOM 195 C ALA A 15 1.219 4.621 -2.450 1.00100.00 C ATOM 196 O ALA A 15 1.059 5.675 -3.070 1.00100.00 O ATOM 197 CB ALA A 15 -0.016 4.304 -0.366 1.00100.00 C ATOM 0 H ALA A 15 0.042 1.989 -1.171 1.00100.00 H new ATOM 0 HA ALA A 15 -0.873 4.267 -2.367 1.00100.00 H new ATOM 0 HB1 ALA A 15 -0.028 5.389 -0.262 1.00100.00 H new ATOM 0 HB2 ALA A 15 -0.916 3.886 0.086 1.00100.00 H new ATOM 0 HB3 ALA A 15 0.863 3.901 0.137 1.00100.00 H new ATOM 203 N HIS A 16 2.423 4.029 -2.281 1.00100.00 N ATOM 204 CA HIS A 16 3.643 4.580 -2.805 1.00100.00 C ATOM 205 C HIS A 16 3.654 4.655 -4.308 1.00100.00 C ATOM 206 O HIS A 16 4.111 5.680 -4.819 1.00100.00 O ATOM 207 CB HIS A 16 4.888 3.828 -2.337 1.00100.00 C ATOM 208 CG HIS A 16 5.168 3.975 -0.870 1.00100.00 C ATOM 209 ND1 HIS A 16 4.437 3.425 0.157 1.00100.00 N ATOM 210 CD2 HIS A 16 6.214 4.666 -0.319 1.00100.00 C ATOM 211 CE1 HIS A 16 5.039 3.784 1.307 1.00100.00 C ATOM 212 NE2 HIS A 16 6.124 4.540 1.069 1.00100.00 N ATOM 0 H HIS A 16 2.551 3.154 -1.772 1.00100.00 H new ATOM 0 HA HIS A 16 3.676 5.593 -2.403 1.00100.00 H new ATOM 0 HB2 HIS A 16 4.771 2.770 -2.571 1.00100.00 H new ATOM 0 HB3 HIS A 16 5.750 4.186 -2.900 1.00100.00 H new ATOM 0 HD2 HIS A 16 6.973 5.211 -0.861 1.00100.00 H new ATOM 0 HE1 HIS A 16 4.695 3.501 2.291 1.00100.00 H new ATOM 0 HE2 HIS A 16 6.755 4.941 1.763 1.00100.00 H new ATOM 219 N SER A 17 3.157 3.583 -5.014 1.00100.00 N ATOM 220 CA SER A 17 3.094 3.505 -6.469 1.00100.00 C ATOM 221 C SER A 17 2.871 2.105 -6.980 1.00100.00 C ATOM 222 O SER A 17 1.988 1.889 -7.805 1.00100.00 O ATOM 223 CB SER A 17 4.362 3.981 -7.240 1.00100.00 C ATOM 224 OG SER A 17 5.507 3.294 -6.783 1.00100.00 O ATOM 0 H SER A 17 2.790 2.750 -4.555 1.00100.00 H new ATOM 0 HA SER A 17 2.258 4.177 -6.662 1.00100.00 H new ATOM 0 HB2 SER A 17 4.231 3.810 -8.308 1.00100.00 H new ATOM 0 HB3 SER A 17 4.496 5.054 -7.103 1.00100.00 H new ATOM 0 HG SER A 17 6.294 3.604 -7.278 1.00100.00 H new ATOM 230 N MET A 18 3.651 1.127 -6.463 1.00100.00 N ATOM 231 CA MET A 18 3.619 -0.252 -6.898 1.00100.00 C ATOM 232 C MET A 18 2.515 -1.104 -6.335 1.00100.00 C ATOM 233 O MET A 18 1.467 -0.562 -6.003 1.00100.00 O ATOM 234 CB MET A 18 4.990 -0.929 -6.724 1.00100.00 C ATOM 235 CG MET A 18 6.122 -0.123 -7.350 1.00100.00 C ATOM 236 SD MET A 18 7.702 -1.003 -7.303 1.00100.00 S ATOM 237 CE MET A 18 8.733 0.213 -8.156 1.00100.00 C ATOM 0 H MET A 18 4.327 1.298 -5.718 1.00100.00 H new ATOM 0 HA MET A 18 3.378 -0.181 -7.959 1.00100.00 H new ATOM 0 HB2 MET A 18 5.191 -1.068 -5.662 1.00100.00 H new ATOM 0 HB3 MET A 18 4.962 -1.921 -7.175 1.00100.00 H new ATOM 0 HG2 MET A 18 5.870 0.110 -8.384 1.00100.00 H new ATOM 0 HG3 MET A 18 6.222 0.827 -6.824 1.00100.00 H new ATOM 0 HE1 MET A 18 9.755 -0.159 -8.223 1.00100.00 H new ATOM 0 HE2 MET A 18 8.342 0.382 -9.159 1.00100.00 H new ATOM 0 HE3 MET A 18 8.724 1.151 -7.601 1.00100.00 H new ATOM 247 N THR A 19 2.507 -2.403 -6.737 1.00100.00 N ATOM 248 CA THR A 19 1.534 -3.404 -6.348 1.00100.00 C ATOM 249 C THR A 19 1.769 -3.796 -4.894 1.00100.00 C ATOM 250 O THR A 19 2.811 -3.487 -4.315 1.00100.00 O ATOM 251 CB THR A 19 1.637 -4.621 -7.282 1.00100.00 C ATOM 252 OG1 THR A 19 1.447 -4.204 -8.612 1.00100.00 O ATOM 253 CG2 THR A 19 0.580 -5.683 -6.975 1.00100.00 C ATOM 0 H THR A 19 3.217 -2.775 -7.367 1.00100.00 H new ATOM 0 HA THR A 19 0.526 -3.000 -6.436 1.00100.00 H new ATOM 0 HB THR A 19 2.625 -5.056 -7.130 1.00100.00 H new ATOM 0 HG1 THR A 19 1.514 -4.977 -9.210 1.00100.00 H new ATOM 0 HG21 THR A 19 0.696 -6.521 -7.662 1.00100.00 H new ATOM 0 HG22 THR A 19 0.704 -6.034 -5.951 1.00100.00 H new ATOM 0 HG23 THR A 19 -0.414 -5.252 -7.093 1.00100.00 H new ATOM 261 N PHE A 20 0.775 -4.475 -4.270 1.00100.00 N ATOM 262 CA PHE A 20 0.784 -4.967 -2.912 1.00100.00 C ATOM 263 C PHE A 20 1.940 -5.942 -2.773 1.00100.00 C ATOM 264 O PHE A 20 2.666 -5.920 -1.781 1.00100.00 O ATOM 265 CB PHE A 20 -0.571 -5.681 -2.673 1.00100.00 C ATOM 266 CG PHE A 20 -0.684 -6.269 -1.288 1.00100.00 C ATOM 267 CD1 PHE A 20 -1.087 -5.461 -0.215 1.00100.00 C ATOM 268 CD2 PHE A 20 -0.366 -7.617 -1.070 1.00100.00 C ATOM 269 CE1 PHE A 20 -1.177 -6.004 1.073 1.00100.00 C ATOM 270 CE2 PHE A 20 -0.457 -8.160 0.217 1.00100.00 C ATOM 271 CZ PHE A 20 -0.862 -7.353 1.290 1.00100.00 C ATOM 0 H PHE A 20 -0.098 -4.696 -4.750 1.00100.00 H new ATOM 0 HA PHE A 20 0.909 -4.167 -2.183 1.00100.00 H new ATOM 0 HB2 PHE A 20 -1.383 -4.971 -2.829 1.00100.00 H new ATOM 0 HB3 PHE A 20 -0.694 -6.474 -3.411 1.00100.00 H new ATOM 0 HD1 PHE A 20 -1.328 -4.421 -0.382 1.00100.00 H new ATOM 0 HD2 PHE A 20 -0.050 -8.237 -1.896 1.00100.00 H new ATOM 0 HE1 PHE A 20 -1.489 -5.383 1.900 1.00100.00 H new ATOM 0 HE2 PHE A 20 -0.216 -9.199 0.383 1.00100.00 H new ATOM 0 HZ PHE A 20 -0.931 -7.771 2.284 1.00100.00 H new ATOM 281 N GLU A 21 2.124 -6.813 -3.786 1.00100.00 N ATOM 282 CA GLU A 21 3.177 -7.791 -3.879 1.00100.00 C ATOM 283 C GLU A 21 4.529 -7.107 -3.967 1.00100.00 C ATOM 284 O GLU A 21 5.500 -7.545 -3.354 1.00100.00 O ATOM 285 CB GLU A 21 2.928 -8.675 -5.113 1.00100.00 C ATOM 286 CG GLU A 21 3.927 -9.829 -5.180 1.00100.00 C ATOM 287 CD GLU A 21 3.590 -10.798 -6.311 1.00100.00 C ATOM 288 OE1 GLU A 21 2.627 -10.510 -7.055 1.00100.00 O ATOM 289 OE2 GLU A 21 4.305 -11.819 -6.408 1.00100.00 O1- ATOM 0 H GLU A 21 1.499 -6.838 -4.592 1.00100.00 H new ATOM 0 HA GLU A 21 3.180 -8.415 -2.985 1.00100.00 H new ATOM 0 HB2 GLU A 21 1.913 -9.071 -5.080 1.00100.00 H new ATOM 0 HB3 GLU A 21 3.005 -8.071 -6.017 1.00100.00 H new ATOM 0 HG2 GLU A 21 4.932 -9.433 -5.326 1.00100.00 H new ATOM 0 HG3 GLU A 21 3.930 -10.364 -4.230 1.00100.00 H new ATOM 296 N GLU A 22 4.585 -5.982 -4.718 1.00100.00 N ATOM 297 CA GLU A 22 5.756 -5.173 -4.971 1.00100.00 C ATOM 298 C GLU A 22 5.920 -4.068 -3.953 1.00100.00 C ATOM 299 O GLU A 22 6.763 -3.182 -4.127 1.00100.00 O ATOM 300 CB GLU A 22 5.710 -4.550 -6.381 1.00100.00 C ATOM 301 CG GLU A 22 5.651 -5.623 -7.465 1.00100.00 C ATOM 302 CD GLU A 22 6.925 -6.455 -7.481 1.00100.00 C ATOM 303 OE1 GLU A 22 7.967 -5.883 -7.868 1.00100.00 O ATOM 304 OE2 GLU A 22 6.838 -7.644 -7.108 1.00100.00 O1- ATOM 0 H GLU A 22 3.756 -5.611 -5.181 1.00100.00 H new ATOM 0 HA GLU A 22 6.610 -5.845 -4.894 1.00100.00 H new ATOM 0 HB2 GLU A 22 4.840 -3.899 -6.464 1.00100.00 H new ATOM 0 HB3 GLU A 22 6.591 -3.926 -6.533 1.00100.00 H new ATOM 0 HG2 GLU A 22 4.792 -6.271 -7.293 1.00100.00 H new ATOM 0 HG3 GLU A 22 5.507 -5.154 -8.438 1.00100.00 H new ATOM 311 N CYS A 23 5.149 -4.120 -2.838 1.00100.00 N ATOM 312 CA CYS A 23 5.177 -3.140 -1.783 1.00100.00 C ATOM 313 C CYS A 23 6.540 -2.987 -1.143 1.00100.00 C ATOM 314 O CYS A 23 6.884 -1.835 -0.908 1.00100.00 O ATOM 315 CB CYS A 23 4.127 -3.384 -0.677 1.00100.00 C ATOM 316 SG CYS A 23 4.139 -1.997 0.487 1.00100.00 S ATOM 0 H CYS A 23 4.482 -4.873 -2.667 1.00100.00 H new ATOM 0 HA CYS A 23 4.924 -2.212 -2.295 1.00100.00 H new ATOM 0 HB2 CYS A 23 3.137 -3.493 -1.119 1.00100.00 H new ATOM 0 HB3 CYS A 23 4.346 -4.314 -0.153 1.00100.00 H new ATOM 0 HG CYS A 23 5.243 -1.325 0.350 1.00100.00 H new ATOM 322 N PRO A 24 7.374 -4.043 -0.839 1.00100.00 N ATOM 323 CA PRO A 24 8.686 -3.816 -0.271 1.00100.00 C ATOM 324 C PRO A 24 9.564 -2.966 -1.165 1.00100.00 C ATOM 325 O PRO A 24 10.360 -2.199 -0.624 1.00100.00 O ATOM 326 CB PRO A 24 9.256 -5.198 0.068 1.00100.00 C ATOM 327 CG PRO A 24 8.517 -6.109 -0.913 1.00100.00 C ATOM 328 CD PRO A 24 7.141 -5.456 -1.055 1.00100.00 C ATOM 0 HA PRO A 24 8.632 -3.221 0.641 1.00100.00 H new ATOM 0 HB2 PRO A 24 10.336 -5.238 -0.075 1.00100.00 H new ATOM 0 HB3 PRO A 24 9.061 -5.474 1.104 1.00100.00 H new ATOM 0 HG2 PRO A 24 9.033 -6.166 -1.871 1.00100.00 H new ATOM 0 HG3 PRO A 24 8.439 -7.127 -0.532 1.00100.00 H new ATOM 0 HD2 PRO A 24 6.717 -5.640 -2.042 1.00100.00 H new ATOM 0 HD3 PRO A 24 6.437 -5.856 -0.326 1.00100.00 H new ATOM 336 N LYS A 25 9.427 -3.090 -2.510 1.00100.00 N ATOM 337 CA LYS A 25 10.174 -2.317 -3.476 1.00100.00 C ATOM 338 C LYS A 25 9.798 -0.863 -3.465 1.00100.00 C ATOM 339 O LYS A 25 10.606 -0.025 -3.866 1.00100.00 O ATOM 340 CB LYS A 25 10.094 -2.826 -4.924 1.00100.00 C ATOM 341 CG LYS A 25 10.594 -4.268 -5.003 1.00100.00 C ATOM 342 CD LYS A 25 10.688 -4.715 -6.461 1.00100.00 C ATOM 343 CE LYS A 25 11.756 -3.922 -7.215 1.00100.00 C ATOM 344 NZ LYS A 25 13.088 -4.112 -6.618 1.00100.00 N1+ ATOM 0 H LYS A 25 8.776 -3.748 -2.939 1.00100.00 H new ATOM 0 HA LYS A 25 11.203 -2.445 -3.141 1.00100.00 H new ATOM 0 HB2 LYS A 25 9.066 -2.770 -5.281 1.00100.00 H new ATOM 0 HB3 LYS A 25 10.693 -2.189 -5.575 1.00100.00 H new ATOM 0 HG2 LYS A 25 11.571 -4.348 -4.527 1.00100.00 H new ATOM 0 HG3 LYS A 25 9.918 -4.925 -4.456 1.00100.00 H new ATOM 0 HD2 LYS A 25 10.923 -5.778 -6.504 1.00100.00 H new ATOM 0 HD3 LYS A 25 9.722 -4.583 -6.948 1.00100.00 H new ATOM 0 HE2 LYS A 25 11.775 -4.236 -8.259 1.00100.00 H new ATOM 0 HE3 LYS A 25 11.499 -2.863 -7.206 1.00100.00 H new ATOM 0 HZ1 LYS A 25 13.817 -3.780 -7.282 1.00100.00 H new ATOM 0 HZ2 LYS A 25 13.153 -3.569 -5.733 1.00100.00 H new ATOM 0 HZ3 LYS A 25 13.237 -5.121 -6.416 1.00100.00 H new ATOM 358 N CYS A 26 8.568 -0.537 -2.989 1.00100.00 N ATOM 359 CA CYS A 26 8.046 0.805 -2.890 1.00100.00 C ATOM 360 C CYS A 26 8.906 1.637 -1.973 1.00100.00 C ATOM 361 O CYS A 26 9.088 2.832 -2.218 1.00100.00 O ATOM 362 CB CYS A 26 6.606 0.842 -2.370 1.00100.00 C ATOM 363 SG CYS A 26 5.439 0.151 -3.560 1.00100.00 S ATOM 0 H CYS A 26 7.909 -1.242 -2.659 1.00100.00 H new ATOM 0 HA CYS A 26 8.055 1.212 -3.901 1.00100.00 H new ATOM 0 HB2 CYS A 26 6.544 0.284 -1.436 1.00100.00 H new ATOM 0 HB3 CYS A 26 6.328 1.872 -2.146 1.00100.00 H new ATOM 0 HG CYS A 26 4.234 0.224 -3.078 1.00100.00 H new ATOM 369 N SER A 27 9.444 1.011 -0.896 1.00100.00 N ATOM 370 CA SER A 27 10.305 1.634 0.081 1.00100.00 C ATOM 371 C SER A 27 11.557 2.150 -0.570 1.00100.00 C ATOM 372 O SER A 27 12.053 3.206 -0.171 1.00100.00 O ATOM 373 CB SER A 27 10.710 0.671 1.203 1.00100.00 C ATOM 374 OG SER A 27 9.558 0.198 1.860 1.00100.00 O ATOM 0 H SER A 27 9.270 0.026 -0.698 1.00100.00 H new ATOM 0 HA SER A 27 9.732 2.454 0.514 1.00100.00 H new ATOM 0 HB2 SER A 27 11.275 -0.165 0.791 1.00100.00 H new ATOM 0 HB3 SER A 27 11.363 1.178 1.913 1.00100.00 H new ATOM 0 HG SER A 27 9.819 -0.419 2.575 1.00100.00 H new ATOM 380 N ALA A 28 12.105 1.389 -1.555 1.00100.00 N ATOM 381 CA ALA A 28 13.277 1.779 -2.298 1.00100.00 C ATOM 382 C ALA A 28 12.888 2.972 -3.128 1.00100.00 C ATOM 383 O ALA A 28 11.796 3.021 -3.699 1.00100.00 O ATOM 384 CB ALA A 28 13.805 0.684 -3.236 1.00100.00 C ATOM 0 H ALA A 28 11.724 0.486 -1.838 1.00100.00 H new ATOM 0 HA ALA A 28 14.076 1.989 -1.587 1.00100.00 H new ATOM 0 HB1 ALA A 28 14.687 1.049 -3.761 1.00100.00 H new ATOM 0 HB2 ALA A 28 14.069 -0.198 -2.653 1.00100.00 H new ATOM 0 HB3 ALA A 28 13.034 0.423 -3.960 1.00100.00 H new ATOM 390 N LEU A 29 13.790 3.959 -3.204 1.00100.00 N ATOM 391 CA LEU A 29 13.565 5.180 -3.920 1.00100.00 C ATOM 392 C LEU A 29 14.086 5.183 -5.328 1.00100.00 C ATOM 393 O LEU A 29 14.105 6.241 -5.964 1.00100.00 O ATOM 394 CB LEU A 29 14.168 6.389 -3.182 1.00100.00 C ATOM 395 CG LEU A 29 13.132 7.061 -2.278 1.00100.00 C ATOM 396 CD1 LEU A 29 12.714 6.154 -1.124 1.00100.00 C ATOM 397 CD2 LEU A 29 13.706 8.367 -1.728 1.00100.00 C ATOM 0 H LEU A 29 14.705 3.912 -2.756 1.00100.00 H new ATOM 0 HA LEU A 29 12.479 5.258 -3.970 1.00100.00 H new ATOM 0 HB2 LEU A 29 15.020 6.065 -2.584 1.00100.00 H new ATOM 0 HB3 LEU A 29 14.544 7.111 -3.908 1.00100.00 H new ATOM 0 HG LEU A 29 12.244 7.265 -2.877 1.00100.00 H new ATOM 0 HD11 LEU A 29 11.978 6.668 -0.506 1.00100.00 H new ATOM 0 HD12 LEU A 29 12.278 5.237 -1.521 1.00100.00 H new ATOM 0 HD13 LEU A 29 13.587 5.908 -0.520 1.00100.00 H new ATOM 0 HD21 LEU A 29 12.968 8.846 -1.084 1.00100.00 H new ATOM 0 HD22 LEU A 29 14.607 8.155 -1.152 1.00100.00 H new ATOM 0 HD23 LEU A 29 13.953 9.033 -2.555 1.00100.00 H new ATOM 409 N GLN A 30 14.416 3.999 -5.890 1.00100.00 N ATOM 410 CA GLN A 30 14.972 3.885 -7.220 1.00100.00 C ATOM 411 C GLN A 30 14.052 4.450 -8.261 1.00100.00 C ATOM 412 O GLN A 30 14.496 5.201 -9.131 1.00100.00 O ATOM 413 CB GLN A 30 15.240 2.423 -7.618 1.00100.00 C ATOM 414 CG GLN A 30 16.257 1.803 -6.661 1.00100.00 C ATOM 415 CD GLN A 30 16.549 0.357 -7.039 1.00100.00 C ATOM 416 OE1 GLN A 30 15.632 -0.453 -7.157 1.00100.00 O ATOM 417 NE2 GLN A 30 17.831 0.032 -7.223 1.00100.00 N ATOM 0 H GLN A 30 14.297 3.103 -5.417 1.00100.00 H new ATOM 0 HA GLN A 30 15.906 4.446 -7.183 1.00100.00 H new ATOM 0 HB2 GLN A 30 14.311 1.854 -7.594 1.00100.00 H new ATOM 0 HB3 GLN A 30 15.615 2.378 -8.640 1.00100.00 H new ATOM 0 HG2 GLN A 30 17.181 2.382 -6.681 1.00100.00 H new ATOM 0 HG3 GLN A 30 15.876 1.846 -5.641 1.00100.00 H new ATOM 0 HE21 GLN A 30 18.557 0.740 -7.114 1.00100.00 H new ATOM 0 HE22 GLN A 30 18.084 -0.924 -7.473 1.00100.00 H new ATOM 426 N TYR A 31 12.748 4.127 -8.152 1.00100.00 N ATOM 427 CA TYR A 31 11.734 4.580 -9.058 1.00100.00 C ATOM 428 C TYR A 31 11.559 6.080 -9.014 1.00100.00 C ATOM 429 O TYR A 31 11.419 6.694 -10.068 1.00100.00 O ATOM 430 CB TYR A 31 10.426 3.777 -8.826 1.00100.00 C ATOM 431 CG TYR A 31 9.280 4.202 -9.713 1.00100.00 C ATOM 432 CD1 TYR A 31 9.398 4.101 -11.106 1.00100.00 C ATOM 433 CD2 TYR A 31 8.095 4.685 -9.140 1.00100.00 C ATOM 434 CE1 TYR A 31 8.332 4.481 -11.932 1.00100.00 C ATOM 435 CE2 TYR A 31 7.022 5.065 -9.958 1.00100.00 C ATOM 436 CZ TYR A 31 7.137 4.965 -11.359 1.00100.00 C ATOM 437 OH TYR A 31 6.095 5.332 -12.159 1.00100.00 O ATOM 0 H TYR A 31 12.387 3.530 -7.408 1.00100.00 H new ATOM 0 HA TYR A 31 12.051 4.379 -10.081 1.00100.00 H new ATOM 0 HB2 TYR A 31 10.627 2.719 -8.992 1.00100.00 H new ATOM 0 HB3 TYR A 31 10.125 3.885 -7.784 1.00100.00 H new ATOM 0 HD1 TYR A 31 10.313 3.729 -11.544 1.00100.00 H new ATOM 0 HD2 TYR A 31 8.009 4.764 -8.066 1.00100.00 H new ATOM 0 HE1 TYR A 31 8.425 4.404 -13.005 1.00100.00 H new ATOM 0 HE2 TYR A 31 6.109 5.434 -9.515 1.00100.00 H new ATOM 0 HH TYR A 31 5.349 5.641 -11.603 1.00100.00 H new ATOM 447 N ARG A 32 11.591 6.690 -7.804 1.00100.00 N ATOM 448 CA ARG A 32 11.434 8.116 -7.614 1.00100.00 C ATOM 449 C ARG A 32 12.550 8.901 -8.250 1.00100.00 C ATOM 450 O ARG A 32 12.312 9.945 -8.859 1.00100.00 O ATOM 451 CB ARG A 32 11.383 8.536 -6.134 1.00100.00 C ATOM 452 CG ARG A 32 10.125 7.969 -5.479 1.00100.00 C ATOM 453 CD ARG A 32 9.923 8.608 -4.108 1.00100.00 C ATOM 454 NE ARG A 32 8.765 8.023 -3.430 1.00100.00 N ATOM 455 CZ ARG A 32 8.460 8.252 -2.144 1.00100.00 C ATOM 456 NH1 ARG A 32 9.233 9.051 -1.396 1.00100.00 N1+ ATOM 457 NH2 ARG A 32 7.379 7.674 -1.607 1.00100.00 N ATOM 0 H ARG A 32 11.730 6.179 -6.932 1.00100.00 H new ATOM 0 HA ARG A 32 10.479 8.339 -8.091 1.00100.00 H new ATOM 0 HB2 ARG A 32 12.270 8.175 -5.613 1.00100.00 H new ATOM 0 HB3 ARG A 32 11.387 9.623 -6.054 1.00100.00 H new ATOM 0 HG2 ARG A 32 9.257 8.160 -6.111 1.00100.00 H new ATOM 0 HG3 ARG A 32 10.213 6.887 -5.377 1.00100.00 H new ATOM 0 HD2 ARG A 32 10.817 8.466 -3.500 1.00100.00 H new ATOM 0 HD3 ARG A 32 9.781 9.683 -4.220 1.00100.00 H new ATOM 0 HE ARG A 32 8.155 7.406 -3.966 1.00100.00 H new ATOM 0 HH11 ARG A 32 10.059 9.489 -1.804 1.00100.00 H new ATOM 0 HH12 ARG A 32 8.996 9.221 -0.419 1.00100.00 H new ATOM 0 HH21 ARG A 32 6.792 7.063 -2.175 1.00100.00 H new ATOM 0 HH22 ARG A 32 7.142 7.844 -0.630 1.00100.00 H new ATOM 471 N ASN A 33 13.794 8.389 -8.122 1.00100.00 N ATOM 472 CA ASN A 33 14.986 9.002 -8.651 1.00100.00 C ATOM 473 C ASN A 33 14.994 8.965 -10.151 1.00100.00 C ATOM 474 O ASN A 33 14.420 8.068 -10.775 1.00100.00 O ATOM 475 CB ASN A 33 16.276 8.301 -8.166 1.00100.00 C ATOM 476 CG ASN A 33 16.427 8.414 -6.653 1.00100.00 C ATOM 477 OD1 ASN A 33 15.963 9.379 -6.048 1.00100.00 O ATOM 478 ND2 ASN A 33 17.079 7.423 -6.041 1.00100.00 N ATOM 0 H ASN A 33 13.979 7.514 -7.631 1.00100.00 H new ATOM 0 HA ASN A 33 14.972 10.030 -8.288 1.00100.00 H new ATOM 0 HB2 ASN A 33 16.253 7.250 -8.455 1.00100.00 H new ATOM 0 HB3 ASN A 33 17.142 8.747 -8.655 1.00100.00 H new ATOM 0 HD21 ASN A 33 17.209 7.446 -5.030 1.00100.00 H new ATOM 0 HD22 ASN A 33 17.447 6.642 -6.585 1.00100.00 H new ATOM 485 N GLY A 34 15.664 9.975 -10.754 1.00100.00 N ATOM 486 CA GLY A 34 15.774 10.107 -12.181 1.00100.00 C ATOM 487 C GLY A 34 14.674 10.924 -12.792 1.00100.00 C ATOM 488 O GLY A 34 14.616 11.022 -14.018 1.00100.00 O ATOM 0 H GLY A 34 16.139 10.715 -10.237 1.00100.00 H new ATOM 0 HA2 GLY A 34 16.733 10.565 -12.423 1.00100.00 H new ATOM 0 HA3 GLY A 34 15.772 9.114 -12.631 1.00100.00 H new ATOM 492 N PHE A 35 13.770 11.511 -11.971 1.00100.00 N ATOM 493 CA PHE A 35 12.698 12.330 -12.470 1.00100.00 C ATOM 494 C PHE A 35 13.054 13.778 -12.371 1.00100.00 C ATOM 495 O PHE A 35 13.818 14.184 -11.492 1.00100.00 O ATOM 496 CB PHE A 35 11.309 11.983 -11.899 1.00100.00 C ATOM 497 CG PHE A 35 10.822 10.707 -12.543 1.00100.00 C ATOM 498 CD1 PHE A 35 11.249 9.461 -12.063 1.00100.00 C ATOM 499 CD2 PHE A 35 10.028 10.780 -13.696 1.00100.00 C ATOM 500 CE1 PHE A 35 10.863 8.289 -12.728 1.00100.00 C ATOM 501 CE2 PHE A 35 9.641 9.607 -14.357 1.00100.00 C ATOM 502 CZ PHE A 35 10.056 8.360 -13.871 1.00100.00 C ATOM 0 H PHE A 35 13.784 11.416 -10.956 1.00100.00 H new ATOM 0 HA PHE A 35 12.587 12.094 -13.528 1.00100.00 H new ATOM 0 HB2 PHE A 35 11.365 11.862 -10.817 1.00100.00 H new ATOM 0 HB3 PHE A 35 10.608 12.795 -12.093 1.00100.00 H new ATOM 0 HD1 PHE A 35 11.873 9.404 -11.184 1.00100.00 H new ATOM 0 HD2 PHE A 35 9.714 11.741 -14.075 1.00100.00 H new ATOM 0 HE1 PHE A 35 11.189 7.328 -12.358 1.00100.00 H new ATOM 0 HE2 PHE A 35 9.023 9.664 -15.241 1.00100.00 H new ATOM 0 HZ PHE A 35 9.754 7.455 -14.377 1.00100.00 H new ATOM 512 N TYR A 36 12.478 14.583 -13.295 1.00100.00 N ATOM 513 CA TYR A 36 12.756 15.987 -13.432 1.00100.00 C ATOM 514 C TYR A 36 12.477 16.826 -12.221 1.00100.00 C ATOM 515 O TYR A 36 13.377 17.566 -11.813 1.00100.00 O ATOM 516 CB TYR A 36 11.970 16.536 -14.663 1.00100.00 C ATOM 517 CG TYR A 36 12.086 18.033 -14.835 1.00100.00 C ATOM 518 CD1 TYR A 36 13.233 18.587 -15.420 1.00100.00 C ATOM 519 CD2 TYR A 36 11.044 18.865 -14.400 1.00100.00 C ATOM 520 CE1 TYR A 36 13.341 19.975 -15.577 1.00100.00 C ATOM 521 CE2 TYR A 36 11.144 20.254 -14.554 1.00100.00 C ATOM 522 CZ TYR A 36 12.293 20.816 -15.146 1.00100.00 C ATOM 523 OH TYR A 36 12.393 22.167 -15.297 1.00100.00 O ATOM 0 H TYR A 36 11.794 14.242 -13.970 1.00100.00 H new ATOM 0 HA TYR A 36 13.834 16.066 -13.571 1.00100.00 H new ATOM 0 HB2 TYR A 36 12.335 16.045 -15.565 1.00100.00 H new ATOM 0 HB3 TYR A 36 10.918 16.271 -14.560 1.00100.00 H new ATOM 0 HD1 TYR A 36 14.035 17.943 -15.750 1.00100.00 H new ATOM 0 HD2 TYR A 36 10.164 18.435 -13.946 1.00100.00 H new ATOM 0 HE1 TYR A 36 14.225 20.401 -16.027 1.00100.00 H new ATOM 0 HE2 TYR A 36 10.341 20.894 -14.219 1.00100.00 H new ATOM 0 HH TYR A 36 11.584 22.596 -14.948 1.00100.00 H new ATOM 533 N LEU A 37 11.280 16.720 -11.606 1.00100.00 N ATOM 534 CA LEU A 37 11.045 17.527 -10.445 1.00100.00 C ATOM 535 C LEU A 37 10.295 16.717 -9.448 1.00100.00 C ATOM 536 O LEU A 37 9.259 16.125 -9.750 1.00100.00 O ATOM 537 CB LEU A 37 10.348 18.870 -10.768 1.00100.00 C ATOM 538 CG LEU A 37 10.061 19.719 -9.531 1.00100.00 C ATOM 539 CD1 LEU A 37 11.344 20.107 -8.795 1.00100.00 C ATOM 540 CD2 LEU A 37 9.349 20.982 -10.007 1.00100.00 C ATOM 0 H LEU A 37 10.514 16.111 -11.892 1.00100.00 H new ATOM 0 HA LEU A 37 12.006 17.818 -10.021 1.00100.00 H new ATOM 0 HB2 LEU A 37 10.975 19.440 -11.453 1.00100.00 H new ATOM 0 HB3 LEU A 37 9.411 18.669 -11.286 1.00100.00 H new ATOM 0 HG LEU A 37 9.450 19.146 -8.833 1.00100.00 H new ATOM 0 HD11 LEU A 37 11.094 20.710 -7.922 1.00100.00 H new ATOM 0 HD12 LEU A 37 11.867 19.206 -8.476 1.00100.00 H new ATOM 0 HD13 LEU A 37 11.986 20.682 -9.462 1.00100.00 H new ATOM 0 HD21 LEU A 37 9.125 21.618 -9.151 1.00100.00 H new ATOM 0 HD22 LEU A 37 9.992 21.522 -10.702 1.00100.00 H new ATOM 0 HD23 LEU A 37 8.421 20.709 -10.509 1.00100.00 H new ATOM 552 N LEU A 38 10.846 16.695 -8.219 1.00100.00 N ATOM 553 CA LEU A 38 10.314 15.987 -7.087 1.00100.00 C ATOM 554 C LEU A 38 8.992 16.543 -6.658 1.00100.00 C ATOM 555 O LEU A 38 8.085 15.782 -6.325 1.00100.00 O ATOM 556 CB LEU A 38 11.269 16.014 -5.885 1.00100.00 C ATOM 557 CG LEU A 38 12.577 15.266 -6.156 1.00100.00 C ATOM 558 CD1 LEU A 38 13.488 15.420 -4.938 1.00100.00 C ATOM 559 CD2 LEU A 38 12.320 13.778 -6.397 1.00100.00 C ATOM 0 H LEU A 38 11.707 17.196 -8.001 1.00100.00 H new ATOM 0 HA LEU A 38 10.187 14.956 -7.417 1.00100.00 H new ATOM 0 HB2 LEU A 38 11.493 17.049 -5.627 1.00100.00 H new ATOM 0 HB3 LEU A 38 10.773 15.570 -5.022 1.00100.00 H new ATOM 0 HG LEU A 38 13.043 15.685 -7.048 1.00100.00 H new ATOM 0 HD11 LEU A 38 14.425 14.892 -5.115 1.00100.00 H new ATOM 0 HD12 LEU A 38 13.693 16.477 -4.769 1.00100.00 H new ATOM 0 HD13 LEU A 38 12.996 15.001 -4.060 1.00100.00 H new ATOM 0 HD21 LEU A 38 13.266 13.271 -6.587 1.00100.00 H new ATOM 0 HD22 LEU A 38 11.846 13.343 -5.517 1.00100.00 H new ATOM 0 HD23 LEU A 38 11.664 13.657 -7.259 1.00100.00 H new ATOM 571 N LYS A 39 8.864 17.890 -6.698 1.00100.00 N ATOM 572 CA LYS A 39 7.689 18.632 -6.318 1.00100.00 C ATOM 573 C LYS A 39 6.494 18.325 -7.175 1.00100.00 C ATOM 574 O LYS A 39 5.371 18.524 -6.710 1.00100.00 O ATOM 575 CB LYS A 39 7.900 20.157 -6.387 1.00100.00 C ATOM 576 CG LYS A 39 8.979 20.655 -5.428 1.00100.00 C ATOM 577 CD LYS A 39 9.084 22.171 -5.586 1.00100.00 C ATOM 578 CE LYS A 39 10.124 22.740 -4.627 1.00100.00 C ATOM 579 NZ LYS A 39 10.236 24.200 -4.785 1.00100.00 N1+ ATOM 0 H LYS A 39 9.623 18.494 -7.013 1.00100.00 H new ATOM 0 HA LYS A 39 7.506 18.316 -5.291 1.00100.00 H new ATOM 0 HB2 LYS A 39 8.171 20.435 -7.406 1.00100.00 H new ATOM 0 HB3 LYS A 39 6.960 20.659 -6.159 1.00100.00 H new ATOM 0 HG2 LYS A 39 8.725 20.395 -4.400 1.00100.00 H new ATOM 0 HG3 LYS A 39 9.935 20.181 -5.650 1.00100.00 H new ATOM 0 HD2 LYS A 39 9.355 22.417 -6.613 1.00100.00 H new ATOM 0 HD3 LYS A 39 8.114 22.630 -5.394 1.00100.00 H new ATOM 0 HE2 LYS A 39 9.848 22.501 -3.600 1.00100.00 H new ATOM 0 HE3 LYS A 39 11.091 22.274 -4.814 1.00100.00 H new ATOM 0 HZ1 LYS A 39 10.341 24.643 -3.850 1.00100.00 H new ATOM 0 HZ2 LYS A 39 11.067 24.423 -5.370 1.00100.00 H new ATOM 0 HZ3 LYS A 39 9.379 24.566 -5.247 1.00100.00 H new ATOM 593 N TYR A 40 6.704 17.836 -8.431 1.00100.00 N ATOM 594 CA TYR A 40 5.633 17.525 -9.348 1.00100.00 C ATOM 595 C TYR A 40 4.748 16.453 -8.757 1.00100.00 C ATOM 596 O TYR A 40 5.219 15.423 -8.274 1.00100.00 O ATOM 597 CB TYR A 40 6.161 17.150 -10.760 1.00100.00 C ATOM 598 CG TYR A 40 5.041 16.887 -11.735 1.00100.00 C ATOM 599 CD1 TYR A 40 4.324 17.962 -12.274 1.00100.00 C ATOM 600 CD2 TYR A 40 4.704 15.570 -12.075 1.00100.00 C ATOM 601 CE1 TYR A 40 3.273 17.726 -13.168 1.00100.00 C ATOM 602 CE2 TYR A 40 3.656 15.323 -12.971 1.00100.00 C ATOM 603 CZ TYR A 40 2.937 16.404 -13.524 1.00100.00 C ATOM 604 OH TYR A 40 1.921 16.172 -14.402 1.00100.00 O ATOM 0 H TYR A 40 7.633 17.656 -8.811 1.00100.00 H new ATOM 0 HA TYR A 40 5.029 18.421 -9.491 1.00100.00 H new ATOM 0 HB2 TYR A 40 6.788 17.958 -11.138 1.00100.00 H new ATOM 0 HB3 TYR A 40 6.792 16.264 -10.687 1.00100.00 H new ATOM 0 HD1 TYR A 40 4.582 18.974 -12.000 1.00100.00 H new ATOM 0 HD2 TYR A 40 5.253 14.745 -11.646 1.00100.00 H new ATOM 0 HE1 TYR A 40 2.720 18.555 -13.584 1.00100.00 H new ATOM 0 HE2 TYR A 40 3.399 14.308 -13.238 1.00100.00 H new ATOM 0 HH TYR A 40 1.821 15.207 -14.539 1.00100.00 H new ATOM 614 N ASP A 41 3.420 16.716 -8.821 1.00100.00 N ATOM 615 CA ASP A 41 2.423 15.853 -8.257 1.00100.00 C ATOM 616 C ASP A 41 2.090 14.734 -9.200 1.00100.00 C ATOM 617 O ASP A 41 1.661 14.939 -10.337 1.00100.00 O ATOM 618 CB ASP A 41 1.133 16.645 -7.905 1.00100.00 C ATOM 619 CG ASP A 41 0.073 15.738 -7.289 1.00100.00 C ATOM 620 OD1 ASP A 41 0.474 14.773 -6.602 1.00100.00 O ATOM 621 OD2 ASP A 41 -1.121 16.027 -7.517 1.00100.00 O1- ATOM 0 H ASP A 41 3.036 17.545 -9.274 1.00100.00 H new ATOM 0 HA ASP A 41 2.834 15.431 -7.340 1.00100.00 H new ATOM 0 HB2 ASP A 41 1.376 17.448 -7.209 1.00100.00 H new ATOM 0 HB3 ASP A 41 0.735 17.113 -8.805 1.00100.00 H new ATOM 626 N GLU A 42 2.305 13.510 -8.687 1.00100.00 N ATOM 627 CA GLU A 42 2.051 12.261 -9.347 1.00100.00 C ATOM 628 C GLU A 42 1.775 11.205 -8.313 1.00100.00 C ATOM 629 O GLU A 42 1.532 11.545 -7.153 1.00100.00 O ATOM 630 CB GLU A 42 3.044 11.887 -10.474 1.00100.00 C ATOM 631 CG GLU A 42 4.499 11.824 -10.027 1.00100.00 C ATOM 632 CD GLU A 42 5.388 11.678 -11.256 1.00100.00 C ATOM 633 OE1 GLU A 42 5.177 10.692 -11.995 1.00100.00 O ATOM 634 OE2 GLU A 42 6.248 12.566 -11.448 1.00100.00 O1- ATOM 0 H GLU A 42 2.682 13.382 -7.748 1.00100.00 H new ATOM 0 HA GLU A 42 1.146 12.366 -9.945 1.00100.00 H new ATOM 0 HB2 GLU A 42 2.760 10.919 -10.887 1.00100.00 H new ATOM 0 HB3 GLU A 42 2.954 12.616 -11.279 1.00100.00 H new ATOM 0 HG2 GLU A 42 4.763 12.727 -9.476 1.00100.00 H new ATOM 0 HG3 GLU A 42 4.649 10.982 -9.351 1.00100.00 H new ATOM 641 N GLU A 43 1.777 9.907 -8.711 1.00100.00 N ATOM 642 CA GLU A 43 1.464 8.796 -7.845 1.00100.00 C ATOM 643 C GLU A 43 2.359 8.685 -6.640 1.00100.00 C ATOM 644 O GLU A 43 1.852 8.534 -5.527 1.00100.00 O ATOM 645 CB GLU A 43 1.550 7.468 -8.625 1.00100.00 C ATOM 646 CG GLU A 43 0.558 7.448 -9.786 1.00100.00 C ATOM 647 CD GLU A 43 0.567 6.094 -10.487 1.00100.00 C ATOM 648 OE1 GLU A 43 1.671 5.522 -10.614 1.00100.00 O1- ATOM 649 OE2 GLU A 43 -0.535 5.654 -10.882 1.00100.00 O ATOM 0 H GLU A 43 2.003 9.623 -9.664 1.00100.00 H new ATOM 0 HA GLU A 43 0.452 8.988 -7.489 1.00100.00 H new ATOM 0 HB2 GLU A 43 2.562 7.331 -9.005 1.00100.00 H new ATOM 0 HB3 GLU A 43 1.346 6.634 -7.953 1.00100.00 H new ATOM 0 HG2 GLU A 43 -0.444 7.664 -9.417 1.00100.00 H new ATOM 0 HG3 GLU A 43 0.811 8.233 -10.499 1.00100.00 H new ATOM 656 N TRP A 44 3.694 8.806 -6.819 1.00100.00 N ATOM 657 CA TRP A 44 4.616 8.722 -5.713 1.00100.00 C ATOM 658 C TRP A 44 4.584 9.945 -4.849 1.00100.00 C ATOM 659 O TRP A 44 4.144 11.013 -5.277 1.00100.00 O ATOM 660 CB TRP A 44 6.090 8.416 -6.061 1.00100.00 C ATOM 661 CG TRP A 44 6.836 9.400 -6.889 1.00100.00 C ATOM 662 CD1 TRP A 44 7.472 10.505 -6.445 1.00100.00 C ATOM 663 CD2 TRP A 44 7.113 9.320 -8.311 1.00100.00 C ATOM 664 NE1 TRP A 44 8.130 11.110 -7.495 1.00100.00 N ATOM 665 CE2 TRP A 44 7.955 10.407 -8.670 1.00100.00 C ATOM 666 CE3 TRP A 44 6.745 8.421 -9.326 1.00100.00 C ATOM 667 CZ2 TRP A 44 8.412 10.589 -9.978 1.00100.00 C ATOM 668 CZ3 TRP A 44 7.190 8.599 -10.641 1.00100.00 C ATOM 669 CH2 TRP A 44 8.020 9.679 -10.968 1.00100.00 C ATOM 0 H TRP A 44 4.136 8.961 -7.725 1.00100.00 H new ATOM 0 HA TRP A 44 4.238 7.850 -5.178 1.00100.00 H new ATOM 0 HB2 TRP A 44 6.634 8.289 -5.125 1.00100.00 H new ATOM 0 HB3 TRP A 44 6.118 7.457 -6.578 1.00100.00 H new ATOM 0 HD1 TRP A 44 7.466 10.860 -5.425 1.00100.00 H new ATOM 0 HE1 TRP A 44 8.676 11.968 -7.414 1.00100.00 H new ATOM 0 HE3 TRP A 44 6.110 7.581 -9.088 1.00100.00 H new ATOM 0 HZ2 TRP A 44 9.058 11.419 -10.222 1.00100.00 H new ATOM 0 HZ3 TRP A 44 6.892 7.900 -11.408 1.00100.00 H new ATOM 0 HH2 TRP A 44 8.358 9.810 -11.985 1.00100.00 H new ATOM 680 N TYR A 45 5.068 9.787 -3.593 1.00100.00 N ATOM 681 CA TYR A 45 5.094 10.869 -2.646 1.00100.00 C ATOM 682 C TYR A 45 6.256 11.778 -2.956 1.00100.00 C ATOM 683 O TYR A 45 7.392 11.301 -3.060 1.00100.00 O ATOM 684 CB TYR A 45 5.246 10.413 -1.179 1.00100.00 C ATOM 685 CG TYR A 45 4.043 9.649 -0.682 1.00100.00 C ATOM 686 CD1 TYR A 45 3.953 8.265 -0.882 1.00100.00 C ATOM 687 CD2 TYR A 45 3.006 10.338 -0.037 1.00100.00 C ATOM 688 CE1 TYR A 45 2.827 7.562 -0.431 1.00100.00 C ATOM 689 CE2 TYR A 45 1.878 9.644 0.419 1.00100.00 C ATOM 690 CZ TYR A 45 1.785 8.251 0.225 1.00100.00 C ATOM 691 OH TYR A 45 0.690 7.573 0.671 1.00100.00 O ATOM 0 H TYR A 45 5.441 8.908 -3.235 1.00100.00 H new ATOM 0 HA TYR A 45 4.132 11.372 -2.743 1.00100.00 H new ATOM 0 HB2 TYR A 45 6.133 9.787 -1.087 1.00100.00 H new ATOM 0 HB3 TYR A 45 5.405 11.286 -0.546 1.00100.00 H new ATOM 0 HD1 TYR A 45 4.752 7.739 -1.384 1.00100.00 H new ATOM 0 HD2 TYR A 45 3.077 11.406 0.108 1.00100.00 H new ATOM 0 HE1 TYR A 45 2.757 6.495 -0.585 1.00100.00 H new ATOM 0 HE2 TYR A 45 1.081 10.175 0.918 1.00100.00 H new ATOM 0 HH TYR A 45 0.070 8.199 1.100 1.00100.00 H new ATOM 701 N PRO A 46 5.998 13.113 -3.102 1.00100.00 N ATOM 702 CA PRO A 46 7.002 14.110 -3.409 1.00100.00 C ATOM 703 C PRO A 46 8.101 14.193 -2.394 1.00100.00 C ATOM 704 O PRO A 46 9.232 14.477 -2.792 1.00100.00 O ATOM 705 CB PRO A 46 6.253 15.436 -3.551 1.00100.00 C ATOM 706 CG PRO A 46 4.847 15.002 -3.945 1.00100.00 C ATOM 707 CD PRO A 46 4.672 13.698 -3.172 1.00100.00 C ATOM 0 HA PRO A 46 7.521 13.840 -4.329 1.00100.00 H new ATOM 0 HB2 PRO A 46 6.254 16.000 -2.619 1.00100.00 H new ATOM 0 HB3 PRO A 46 6.705 16.074 -4.310 1.00100.00 H new ATOM 0 HG2 PRO A 46 4.100 15.744 -3.663 1.00100.00 H new ATOM 0 HG3 PRO A 46 4.756 14.851 -5.021 1.00100.00 H new ATOM 0 HD2 PRO A 46 4.270 13.882 -2.176 1.00100.00 H new ATOM 0 HD3 PRO A 46 3.974 13.031 -3.679 1.00100.00 H new ATOM 715 N GLU A 47 7.781 13.966 -1.099 1.00100.00 N ATOM 716 CA GLU A 47 8.761 14.008 -0.045 1.00100.00 C ATOM 717 C GLU A 47 9.578 12.758 -0.156 1.00100.00 C ATOM 718 O GLU A 47 9.025 11.653 -0.194 1.00100.00 O ATOM 719 CB GLU A 47 8.128 14.012 1.365 1.00100.00 C ATOM 720 CG GLU A 47 9.225 14.132 2.427 1.00100.00 C ATOM 721 CD GLU A 47 8.653 14.173 3.839 1.00100.00 C ATOM 722 OE1 GLU A 47 7.414 14.055 3.967 1.00100.00 O ATOM 723 OE2 GLU A 47 9.472 14.321 4.771 1.00100.00 O1- ATOM 0 H GLU A 47 6.836 13.752 -0.780 1.00100.00 H new ATOM 0 HA GLU A 47 9.340 14.924 -0.158 1.00100.00 H new ATOM 0 HB2 GLU A 47 7.428 14.843 1.457 1.00100.00 H new ATOM 0 HB3 GLU A 47 7.558 13.096 1.520 1.00100.00 H new ATOM 0 HG2 GLU A 47 9.909 13.288 2.338 1.00100.00 H new ATOM 0 HG3 GLU A 47 9.807 15.035 2.246 1.00100.00 H new ATOM 730 N GLU A 48 10.917 12.929 -0.193 1.00100.00 N ATOM 731 CA GLU A 48 11.796 11.805 -0.298 1.00100.00 C ATOM 732 C GLU A 48 12.392 11.511 1.036 1.00100.00 C ATOM 733 O GLU A 48 12.884 12.394 1.742 1.00100.00 O ATOM 734 CB GLU A 48 12.953 11.942 -1.296 1.00100.00 C ATOM 735 CG GLU A 48 12.487 11.890 -2.746 1.00100.00 C ATOM 736 CD GLU A 48 13.698 11.890 -3.672 1.00100.00 C ATOM 737 OE1 GLU A 48 14.562 12.773 -3.478 1.00100.00 O ATOM 738 OE2 GLU A 48 13.743 10.997 -4.546 1.00100.00 O1- ATOM 0 H GLU A 48 11.384 13.835 -0.151 1.00100.00 H new ATOM 0 HA GLU A 48 11.158 11.005 -0.674 1.00100.00 H new ATOM 0 HB2 GLU A 48 13.471 12.884 -1.119 1.00100.00 H new ATOM 0 HB3 GLU A 48 13.675 11.144 -1.122 1.00100.00 H new ATOM 0 HG2 GLU A 48 11.888 10.995 -2.914 1.00100.00 H new ATOM 0 HG3 GLU A 48 11.849 12.746 -2.965 1.00100.00 H new ATOM 745 N LEU A 49 12.311 10.215 1.399 1.00100.00 N ATOM 746 CA LEU A 49 12.790 9.673 2.640 1.00100.00 C ATOM 747 C LEU A 49 14.278 9.830 2.792 1.00100.00 C ATOM 748 O LEU A 49 14.747 10.263 3.846 1.00100.00 O ATOM 749 CB LEU A 49 12.456 8.169 2.727 1.00100.00 C ATOM 750 CG LEU A 49 10.962 7.905 2.515 1.00100.00 C ATOM 751 CD1 LEU A 49 10.709 6.399 2.576 1.00100.00 C ATOM 752 CD2 LEU A 49 10.124 8.601 3.588 1.00100.00 C ATOM 0 H LEU A 49 11.890 9.508 0.796 1.00100.00 H new ATOM 0 HA LEU A 49 12.295 10.229 3.436 1.00100.00 H new ATOM 0 HB2 LEU A 49 13.031 7.625 1.978 1.00100.00 H new ATOM 0 HB3 LEU A 49 12.758 7.785 3.701 1.00100.00 H new ATOM 0 HG LEU A 49 10.673 8.301 1.542 1.00100.00 H new ATOM 0 HD11 LEU A 49 9.647 6.202 2.426 1.00100.00 H new ATOM 0 HD12 LEU A 49 11.284 5.901 1.795 1.00100.00 H new ATOM 0 HD13 LEU A 49 11.015 6.018 3.550 1.00100.00 H new ATOM 0 HD21 LEU A 49 9.068 8.397 3.414 1.00100.00 H new ATOM 0 HD22 LEU A 49 10.408 8.227 4.571 1.00100.00 H new ATOM 0 HD23 LEU A 49 10.298 9.676 3.545 1.00100.00 H new ATOM 764 N LEU A 50 15.039 9.505 1.720 1.00100.00 N ATOM 765 CA LEU A 50 16.478 9.582 1.705 1.00100.00 C ATOM 766 C LEU A 50 16.996 10.980 1.860 1.00100.00 C ATOM 767 O LEU A 50 17.944 11.204 2.616 1.00100.00 O ATOM 768 CB LEU A 50 17.098 8.986 0.427 1.00100.00 C ATOM 769 CG LEU A 50 16.825 7.482 0.320 1.00100.00 C ATOM 770 CD1 LEU A 50 17.315 6.987 -1.040 1.00100.00 C ATOM 771 CD2 LEU A 50 17.552 6.710 1.420 1.00100.00 C ATOM 0 H LEU A 50 14.642 9.179 0.839 1.00100.00 H new ATOM 0 HA LEU A 50 16.780 8.988 2.568 1.00100.00 H new ATOM 0 HB2 LEU A 50 16.691 9.494 -0.447 1.00100.00 H new ATOM 0 HB3 LEU A 50 18.174 9.163 0.426 1.00100.00 H new ATOM 0 HG LEU A 50 15.754 7.315 0.430 1.00100.00 H new ATOM 0 HD11 LEU A 50 17.126 5.917 -1.128 1.00100.00 H new ATOM 0 HD12 LEU A 50 16.785 7.515 -1.832 1.00100.00 H new ATOM 0 HD13 LEU A 50 18.385 7.175 -1.132 1.00100.00 H new ATOM 0 HD21 LEU A 50 17.340 5.646 1.319 1.00100.00 H new ATOM 0 HD22 LEU A 50 18.626 6.876 1.332 1.00100.00 H new ATOM 0 HD23 LEU A 50 17.210 7.057 2.395 1.00100.00 H new ATOM 783 N THR A 51 16.362 11.953 1.169 1.00100.00 N ATOM 784 CA THR A 51 16.787 13.327 1.218 1.00100.00 C ATOM 785 C THR A 51 16.174 14.027 2.403 1.00100.00 C ATOM 786 O THR A 51 15.120 14.663 2.313 1.00100.00 O ATOM 787 CB THR A 51 16.524 14.062 -0.078 1.00100.00 C ATOM 788 OG1 THR A 51 15.154 14.039 -0.379 1.00100.00 O ATOM 789 CG2 THR A 51 17.311 13.438 -1.228 1.00100.00 C ATOM 0 H THR A 51 15.551 11.787 0.573 1.00100.00 H new ATOM 0 HA THR A 51 17.869 13.332 1.347 1.00100.00 H new ATOM 0 HB THR A 51 16.850 15.095 0.048 1.00100.00 H new ATOM 0 HG1 THR A 51 14.638 14.242 0.429 1.00100.00 H new ATOM 0 HG21 THR A 51 17.105 13.984 -2.148 1.00100.00 H new ATOM 0 HG22 THR A 51 18.377 13.487 -1.008 1.00100.00 H new ATOM 0 HG23 THR A 51 17.013 12.397 -1.350 1.00100.00 H new ATOM 797 N ASP A 52 16.862 13.912 3.565 1.00100.00 N ATOM 798 CA ASP A 52 16.382 14.519 4.772 1.00100.00 C ATOM 799 C ASP A 52 16.994 15.887 4.844 1.00100.00 C ATOM 800 O ASP A 52 18.189 16.059 5.095 1.00100.00 O ATOM 801 CB ASP A 52 16.766 13.711 6.040 1.00100.00 C ATOM 802 CG ASP A 52 16.310 14.429 7.304 1.00100.00 C ATOM 803 OD1 ASP A 52 15.173 14.950 7.285 1.00100.00 O ATOM 804 OD2 ASP A 52 17.109 14.448 8.264 1.00100.00 O1- ATOM 0 H ASP A 52 17.741 13.404 3.664 1.00100.00 H new ATOM 0 HA ASP A 52 15.293 14.554 4.746 1.00100.00 H new ATOM 0 HB2 ASP A 52 16.312 12.721 5.996 1.00100.00 H new ATOM 0 HB3 ASP A 52 17.846 13.565 6.070 1.00100.00 H new ATOM 809 N GLY A 53 16.134 16.881 4.557 1.00100.00 N ATOM 810 CA GLY A 53 16.450 18.279 4.584 1.00100.00 C ATOM 811 C GLY A 53 17.052 18.783 3.306 1.00100.00 C ATOM 812 O GLY A 53 17.170 19.999 3.145 1.00100.00 O ATOM 0 H GLY A 53 15.166 16.701 4.292 1.00100.00 H new ATOM 0 HA2 GLY A 53 15.542 18.844 4.796 1.00100.00 H new ATOM 0 HA3 GLY A 53 17.143 18.471 5.403 1.00100.00 H new ATOM 816 N GLU A 54 17.444 17.879 2.369 1.00100.00 N ATOM 817 CA GLU A 54 18.027 18.272 1.110 1.00100.00 C ATOM 818 C GLU A 54 17.002 18.953 0.249 1.00100.00 C ATOM 819 O GLU A 54 17.292 19.976 -0.373 1.00100.00 O ATOM 820 CB GLU A 54 18.611 17.083 0.322 1.00100.00 C ATOM 821 CG GLU A 54 19.416 16.133 1.208 1.00100.00 C ATOM 822 CD GLU A 54 20.597 16.851 1.850 1.00100.00 C ATOM 823 OE1 GLU A 54 21.461 17.324 1.082 1.00100.00 O ATOM 824 OE2 GLU A 54 20.614 16.914 3.099 1.00100.00 O1- ATOM 0 H GLU A 54 17.355 16.870 2.488 1.00100.00 H new ATOM 0 HA GLU A 54 18.843 18.953 1.354 1.00100.00 H new ATOM 0 HB2 GLU A 54 17.799 16.532 -0.153 1.00100.00 H new ATOM 0 HB3 GLU A 54 19.250 17.459 -0.477 1.00100.00 H new ATOM 0 HG2 GLU A 54 18.771 15.721 1.984 1.00100.00 H new ATOM 0 HG3 GLU A 54 19.776 15.293 0.613 1.00100.00 H new ATOM 831 N ASP A 55 15.773 18.376 0.215 1.00100.00 N ATOM 832 CA ASP A 55 14.662 18.891 -0.543 1.00100.00 C ATOM 833 C ASP A 55 14.257 20.238 -0.026 1.00100.00 C ATOM 834 O ASP A 55 14.082 21.174 -0.806 1.00100.00 O ATOM 835 CB ASP A 55 13.389 18.016 -0.432 1.00100.00 C ATOM 836 CG ASP A 55 13.554 16.652 -1.095 1.00100.00 C ATOM 837 OD1 ASP A 55 14.507 16.505 -1.892 1.00100.00 O ATOM 838 OD2 ASP A 55 12.709 15.779 -0.802 1.00100.00 O1- ATOM 0 H ASP A 55 15.549 17.526 0.732 1.00100.00 H new ATOM 0 HA ASP A 55 15.013 18.917 -1.575 1.00100.00 H new ATOM 0 HB2 ASP A 55 13.139 17.877 0.620 1.00100.00 H new ATOM 0 HB3 ASP A 55 12.551 18.540 -0.892 1.00100.00 H new ATOM 843 N ASP A 56 14.150 20.339 1.326 1.00100.00 N ATOM 844 CA ASP A 56 13.761 21.502 2.087 1.00100.00 C ATOM 845 C ASP A 56 12.441 22.060 1.585 1.00100.00 C ATOM 846 O ASP A 56 12.260 23.270 1.428 1.00100.00 O ATOM 847 CB ASP A 56 14.885 22.575 2.176 1.00100.00 C ATOM 848 CG ASP A 56 14.494 23.708 3.115 1.00100.00 C ATOM 849 OD1 ASP A 56 14.151 23.393 4.275 1.00100.00 O ATOM 850 OD2 ASP A 56 14.539 24.869 2.654 1.00100.00 O1- ATOM 0 H ASP A 56 14.352 19.543 1.930 1.00100.00 H new ATOM 0 HA ASP A 56 13.604 21.179 3.116 1.00100.00 H new ATOM 0 HB2 ASP A 56 15.807 22.111 2.526 1.00100.00 H new ATOM 0 HB3 ASP A 56 15.087 22.976 1.183 1.00100.00 H new ATOM 855 N VAL A 57 11.487 21.144 1.286 1.00100.00 N ATOM 856 CA VAL A 57 10.176 21.513 0.810 1.00100.00 C ATOM 857 C VAL A 57 9.247 21.336 1.984 1.00100.00 C ATOM 858 O VAL A 57 8.461 22.227 2.314 1.00100.00 O ATOM 859 CB VAL A 57 9.686 20.642 -0.345 1.00100.00 C ATOM 860 CG1 VAL A 57 8.284 21.071 -0.780 1.00100.00 C ATOM 861 CG2 VAL A 57 10.639 20.785 -1.531 1.00100.00 C ATOM 0 H VAL A 57 11.627 20.138 1.375 1.00100.00 H new ATOM 0 HA VAL A 57 10.207 22.534 0.429 1.00100.00 H new ATOM 0 HB VAL A 57 9.656 19.605 -0.011 1.00100.00 H new ATOM 0 HG11 VAL A 57 7.950 20.440 -1.604 1.00100.00 H new ATOM 0 HG12 VAL A 57 7.595 20.968 0.059 1.00100.00 H new ATOM 0 HG13 VAL A 57 8.306 22.111 -1.105 1.00100.00 H new ATOM 0 HG21 VAL A 57 10.290 20.163 -2.355 1.00100.00 H new ATOM 0 HG22 VAL A 57 10.670 21.827 -1.850 1.00100.00 H new ATOM 0 HG23 VAL A 57 11.639 20.467 -1.235 1.00100.00 H new ATOM 871 N PHE A 58 9.358 20.169 2.654 1.00100.00 N ATOM 872 CA PHE A 58 8.543 19.815 3.777 1.00100.00 C ATOM 873 C PHE A 58 8.694 20.641 5.007 1.00100.00 C ATOM 874 O PHE A 58 7.688 20.905 5.667 1.00100.00 O ATOM 875 CB PHE A 58 8.460 18.296 4.006 1.00100.00 C ATOM 876 CG PHE A 58 7.511 17.722 2.981 1.00100.00 C ATOM 877 CD1 PHE A 58 7.930 17.549 1.653 1.00100.00 C ATOM 878 CD2 PHE A 58 6.167 17.510 3.322 1.00100.00 C ATOM 879 CE1 PHE A 58 7.008 17.160 0.672 1.00100.00 C ATOM 880 CE2 PHE A 58 5.248 17.113 2.341 1.00100.00 C ATOM 881 CZ PHE A 58 5.668 16.939 1.016 1.00100.00 C ATOM 0 H PHE A 58 10.037 19.450 2.404 1.00100.00 H new ATOM 0 HA PHE A 58 7.542 20.116 3.468 1.00100.00 H new ATOM 0 HB2 PHE A 58 9.446 17.841 3.910 1.00100.00 H new ATOM 0 HB3 PHE A 58 8.107 18.081 5.015 1.00100.00 H new ATOM 0 HD1 PHE A 58 8.963 17.716 1.387 1.00100.00 H new ATOM 0 HD2 PHE A 58 5.840 17.653 4.341 1.00100.00 H new ATOM 0 HE1 PHE A 58 7.331 17.030 -0.350 1.00100.00 H new ATOM 0 HE2 PHE A 58 4.215 16.941 2.607 1.00100.00 H new ATOM 0 HZ PHE A 58 4.959 16.635 0.260 1.00100.00 H new ATOM 891 N ASP A 59 9.939 21.069 5.342 1.00100.00 N ATOM 892 CA ASP A 59 10.162 21.886 6.513 1.00100.00 C ATOM 893 C ASP A 59 9.411 23.214 6.420 1.00100.00 C ATOM 894 O ASP A 59 8.707 23.525 7.383 1.00100.00 O ATOM 895 CB ASP A 59 11.673 22.108 6.816 1.00100.00 C ATOM 896 CG ASP A 59 12.383 20.770 6.974 1.00100.00 C ATOM 897 OD1 ASP A 59 11.997 20.031 7.905 1.00100.00 O ATOM 898 OD2 ASP A 59 13.291 20.506 6.157 1.00100.00 O1- ATOM 0 H ASP A 59 10.781 20.852 4.809 1.00100.00 H new ATOM 0 HA ASP A 59 9.756 21.329 7.358 1.00100.00 H new ATOM 0 HB2 ASP A 59 12.133 22.678 6.009 1.00100.00 H new ATOM 0 HB3 ASP A 59 11.786 22.697 7.726 1.00100.00 H new ATOM 903 N PRO A 60 9.465 24.017 5.302 1.00100.00 N ATOM 904 CA PRO A 60 8.704 25.246 5.213 1.00100.00 C ATOM 905 C PRO A 60 7.239 25.024 4.912 1.00100.00 C ATOM 906 O PRO A 60 6.460 25.949 5.152 1.00100.00 O ATOM 907 CB PRO A 60 9.401 26.106 4.161 1.00100.00 C ATOM 908 CG PRO A 60 9.974 25.035 3.230 1.00100.00 C ATOM 909 CD PRO A 60 10.377 23.905 4.182 1.00100.00 C ATOM 0 HA PRO A 60 8.689 25.751 6.179 1.00100.00 H new ATOM 0 HB2 PRO A 60 8.706 26.769 3.646 1.00100.00 H new ATOM 0 HB3 PRO A 60 10.180 26.734 4.594 1.00100.00 H new ATOM 0 HG2 PRO A 60 9.235 24.701 2.502 1.00100.00 H new ATOM 0 HG3 PRO A 60 10.829 25.409 2.668 1.00100.00 H new ATOM 0 HD2 PRO A 60 10.291 22.932 3.699 1.00100.00 H new ATOM 0 HD3 PRO A 60 11.413 24.011 4.504 1.00100.00 H new ATOM 917 N ASP A 61 6.858 23.825 4.393 1.00100.00 N ATOM 918 CA ASP A 61 5.512 23.426 4.028 1.00100.00 C ATOM 919 C ASP A 61 4.855 24.414 3.085 1.00100.00 C ATOM 920 O ASP A 61 3.703 24.830 3.251 1.00100.00 O ATOM 921 CB ASP A 61 4.615 23.060 5.250 1.00100.00 C ATOM 922 CG ASP A 61 3.302 22.432 4.800 1.00100.00 C ATOM 923 OD1 ASP A 61 3.376 21.400 4.101 1.00100.00 O ATOM 924 OD2 ASP A 61 2.248 22.999 5.162 1.00100.00 O1- ATOM 0 H ASP A 61 7.537 23.084 4.217 1.00100.00 H new ATOM 0 HA ASP A 61 5.621 22.495 3.472 1.00100.00 H new ATOM 0 HB2 ASP A 61 5.148 22.368 5.902 1.00100.00 H new ATOM 0 HB3 ASP A 61 4.411 23.956 5.836 1.00100.00 H new ATOM 929 N LEU A 62 5.634 24.824 2.063 1.00100.00 N ATOM 930 CA LEU A 62 5.194 25.745 1.058 1.00100.00 C ATOM 931 C LEU A 62 5.136 24.959 -0.217 1.00100.00 C ATOM 932 O LEU A 62 6.121 24.335 -0.621 1.00100.00 O ATOM 933 CB LEU A 62 6.171 26.936 0.888 1.00100.00 C ATOM 934 CG LEU A 62 5.753 27.846 -0.271 1.00100.00 C ATOM 935 CD1 LEU A 62 4.413 28.520 0.023 1.00100.00 C ATOM 936 CD2 LEU A 62 6.823 28.915 -0.480 1.00100.00 C ATOM 0 H LEU A 62 6.594 24.506 1.933 1.00100.00 H new ATOM 0 HA LEU A 62 4.230 26.173 1.335 1.00100.00 H new ATOM 0 HB2 LEU A 62 6.205 27.514 1.811 1.00100.00 H new ATOM 0 HB3 LEU A 62 7.178 26.559 0.711 1.00100.00 H new ATOM 0 HG LEU A 62 5.646 27.240 -1.171 1.00100.00 H new ATOM 0 HD11 LEU A 62 4.137 29.161 -0.814 1.00100.00 H new ATOM 0 HD12 LEU A 62 3.646 27.759 0.165 1.00100.00 H new ATOM 0 HD13 LEU A 62 4.499 29.122 0.928 1.00100.00 H new ATOM 0 HD21 LEU A 62 6.531 29.566 -1.304 1.00100.00 H new ATOM 0 HD22 LEU A 62 6.929 29.506 0.430 1.00100.00 H new ATOM 0 HD23 LEU A 62 7.774 28.437 -0.715 1.00100.00 H new ATOM 948 N ASP A 63 3.952 24.977 -0.864 1.00100.00 N ATOM 949 CA ASP A 63 3.754 24.279 -2.102 1.00100.00 C ATOM 950 C ASP A 63 3.547 25.366 -3.109 1.00100.00 C ATOM 951 O ASP A 63 2.687 26.235 -2.934 1.00100.00 O ATOM 952 CB ASP A 63 2.518 23.342 -2.091 1.00100.00 C ATOM 953 CG ASP A 63 2.312 22.711 -3.463 1.00100.00 C ATOM 954 OD1 ASP A 63 3.226 21.977 -3.896 1.00100.00 O ATOM 955 OD2 ASP A 63 1.246 22.982 -4.058 1.00100.00 O1- ATOM 0 H ASP A 63 3.129 25.477 -0.528 1.00100.00 H new ATOM 0 HA ASP A 63 4.604 23.630 -2.312 1.00100.00 H new ATOM 0 HB2 ASP A 63 2.653 22.562 -1.342 1.00100.00 H new ATOM 0 HB3 ASP A 63 1.630 23.906 -1.807 1.00100.00 H new ATOM 960 N MET A 64 4.384 25.351 -4.167 1.00100.00 N ATOM 961 CA MET A 64 4.284 26.327 -5.213 1.00100.00 C ATOM 962 C MET A 64 3.894 25.583 -6.449 1.00100.00 C ATOM 963 O MET A 64 4.667 24.806 -7.016 1.00100.00 O ATOM 964 CB MET A 64 5.594 27.094 -5.469 1.00100.00 C ATOM 965 CG MET A 64 5.960 27.914 -4.234 1.00100.00 C ATOM 966 SD MET A 64 7.608 28.657 -4.304 1.00100.00 S ATOM 967 CE MET A 64 8.601 27.161 -4.060 1.00100.00 C ATOM 0 H MET A 64 5.128 24.665 -4.298 1.00100.00 H new ATOM 0 HA MET A 64 3.553 27.081 -4.920 1.00100.00 H new ATOM 0 HB2 MET A 64 6.396 26.395 -5.704 1.00100.00 H new ATOM 0 HB3 MET A 64 5.480 27.750 -6.332 1.00100.00 H new ATOM 0 HG2 MET A 64 5.222 28.705 -4.104 1.00100.00 H new ATOM 0 HG3 MET A 64 5.899 27.273 -3.354 1.00100.00 H new ATOM 0 HE1 MET A 64 9.658 27.426 -4.037 1.00100.00 H new ATOM 0 HE2 MET A 64 8.324 26.691 -3.116 1.00100.00 H new ATOM 0 HE3 MET A 64 8.419 26.466 -4.879 1.00100.00 H new ATOM 977 N GLU A 65 2.679 25.916 -6.928 1.00100.00 N ATOM 978 CA GLU A 65 2.060 25.347 -8.096 1.00100.00 C ATOM 979 C GLU A 65 2.821 25.652 -9.348 1.00100.00 C ATOM 980 O GLU A 65 3.024 24.770 -10.181 1.00100.00 O ATOM 981 CB GLU A 65 0.621 25.850 -8.307 1.00100.00 C ATOM 982 CG GLU A 65 -0.254 25.425 -7.132 1.00100.00 C ATOM 983 CD GLU A 65 -1.698 25.857 -7.349 1.00100.00 C ATOM 984 OE1 GLU A 65 -1.944 27.080 -7.256 1.00100.00 O ATOM 985 OE2 GLU A 65 -2.528 24.959 -7.608 1.00100.00 O1- ATOM 0 H GLU A 65 2.095 26.620 -6.478 1.00100.00 H new ATOM 0 HA GLU A 65 2.056 24.273 -7.908 1.00100.00 H new ATOM 0 HB2 GLU A 65 0.616 26.936 -8.402 1.00100.00 H new ATOM 0 HB3 GLU A 65 0.218 25.447 -9.236 1.00100.00 H new ATOM 0 HG2 GLU A 65 -0.208 24.343 -7.011 1.00100.00 H new ATOM 0 HG3 GLU A 65 0.127 25.865 -6.211 1.00100.00 H new ATOM 992 N VAL A 66 3.289 26.916 -9.467 1.00100.00 N ATOM 993 CA VAL A 66 4.018 27.427 -10.602 1.00100.00 C ATOM 994 C VAL A 66 5.311 26.667 -10.784 1.00100.00 C ATOM 995 O VAL A 66 5.632 26.294 -11.914 1.00100.00 O ATOM 996 CB VAL A 66 4.273 28.929 -10.462 1.00100.00 C ATOM 997 CG1 VAL A 66 5.039 29.449 -11.678 1.00100.00 C ATOM 998 CG2 VAL A 66 2.944 29.676 -10.352 1.00100.00 C ATOM 0 H VAL A 66 3.153 27.616 -8.738 1.00100.00 H new ATOM 0 HA VAL A 66 3.409 27.280 -11.494 1.00100.00 H new ATOM 0 HB VAL A 66 4.864 29.098 -9.562 1.00100.00 H new ATOM 0 HG11 VAL A 66 5.215 30.519 -11.567 1.00100.00 H new ATOM 0 HG12 VAL A 66 5.995 28.930 -11.755 1.00100.00 H new ATOM 0 HG13 VAL A 66 4.455 29.269 -12.580 1.00100.00 H new ATOM 0 HG21 VAL A 66 3.134 30.745 -10.253 1.00100.00 H new ATOM 0 HG22 VAL A 66 2.350 29.495 -11.248 1.00100.00 H new ATOM 0 HG23 VAL A 66 2.399 29.322 -9.477 1.00100.00 H new ATOM 1008 N VAL A 67 6.054 26.402 -9.676 1.00100.00 N ATOM 1009 CA VAL A 67 7.317 25.701 -9.731 1.00100.00 C ATOM 1010 C VAL A 67 7.136 24.297 -10.255 1.00100.00 C ATOM 1011 O VAL A 67 7.870 23.908 -11.167 1.00100.00 O ATOM 1012 CB VAL A 67 8.027 25.696 -8.377 1.00100.00 C ATOM 1013 CG1 VAL A 67 9.332 24.902 -8.448 1.00100.00 C ATOM 1014 CG2 VAL A 67 8.331 27.130 -7.944 1.00100.00 C ATOM 0 H VAL A 67 5.775 26.677 -8.734 1.00100.00 H new ATOM 0 HA VAL A 67 7.957 26.243 -10.428 1.00100.00 H new ATOM 0 HB VAL A 67 7.368 25.223 -7.649 1.00100.00 H new ATOM 0 HG11 VAL A 67 9.818 24.913 -7.473 1.00100.00 H new ATOM 0 HG12 VAL A 67 9.116 23.873 -8.734 1.00100.00 H new ATOM 0 HG13 VAL A 67 9.993 25.353 -9.188 1.00100.00 H new ATOM 0 HG21 VAL A 67 8.837 27.119 -6.979 1.00100.00 H new ATOM 0 HG22 VAL A 67 8.974 27.605 -8.685 1.00100.00 H new ATOM 0 HG23 VAL A 67 7.400 27.690 -7.859 1.00100.00 H new ATOM 1024 N PHE A 68 6.148 23.531 -9.720 1.00100.00 N ATOM 1025 CA PHE A 68 5.944 22.189 -10.191 1.00100.00 C ATOM 1026 C PHE A 68 5.398 22.056 -11.582 1.00100.00 C ATOM 1027 O PHE A 68 5.846 21.193 -12.334 1.00100.00 O ATOM 1028 CB PHE A 68 5.356 21.174 -9.176 1.00100.00 C ATOM 1029 CG PHE A 68 3.882 21.244 -8.869 1.00100.00 C ATOM 1030 CD1 PHE A 68 2.967 20.549 -9.672 1.00100.00 C ATOM 1031 CD2 PHE A 68 3.440 21.909 -7.717 1.00100.00 C ATOM 1032 CE1 PHE A 68 1.608 20.534 -9.332 1.00100.00 C ATOM 1033 CE2 PHE A 68 2.082 21.892 -7.376 1.00100.00 C ATOM 1034 CZ PHE A 68 1.165 21.208 -8.186 1.00100.00 C ATOM 0 H PHE A 68 5.511 23.834 -8.983 1.00100.00 H new ATOM 0 HA PHE A 68 6.979 21.860 -10.286 1.00100.00 H new ATOM 0 HB2 PHE A 68 5.572 20.171 -9.545 1.00100.00 H new ATOM 0 HB3 PHE A 68 5.897 21.291 -8.237 1.00100.00 H new ATOM 0 HD1 PHE A 68 3.310 20.025 -10.552 1.00100.00 H new ATOM 0 HD2 PHE A 68 4.147 22.435 -7.092 1.00100.00 H new ATOM 0 HE1 PHE A 68 0.902 20.003 -9.953 1.00100.00 H new ATOM 0 HE2 PHE A 68 1.741 22.406 -6.489 1.00100.00 H new ATOM 0 HZ PHE A 68 0.117 21.200 -7.927 1.00100.00 H new ATOM 1044 N GLU A 69 4.445 22.941 -11.958 1.00100.00 N ATOM 1045 CA GLU A 69 3.833 22.899 -13.261 1.00100.00 C ATOM 1046 C GLU A 69 4.668 23.640 -14.272 1.00100.00 C ATOM 1047 O GLU A 69 4.353 24.752 -14.698 1.00100.00 O ATOM 1048 CB GLU A 69 2.375 23.417 -13.247 1.00100.00 C ATOM 1049 CG GLU A 69 1.521 22.613 -12.266 1.00100.00 C ATOM 1050 CD GLU A 69 0.104 23.166 -12.164 1.00100.00 C ATOM 1051 OE1 GLU A 69 -0.189 24.148 -12.879 1.00100.00 O ATOM 1052 OE2 GLU A 69 -0.665 22.594 -11.360 1.00100.00 O1- ATOM 0 H GLU A 69 4.097 23.688 -11.357 1.00100.00 H new ATOM 0 HA GLU A 69 3.788 21.851 -13.558 1.00100.00 H new ATOM 0 HB2 GLU A 69 2.362 24.471 -12.968 1.00100.00 H new ATOM 0 HB3 GLU A 69 1.950 23.347 -14.248 1.00100.00 H new ATOM 0 HG2 GLU A 69 1.483 21.572 -12.586 1.00100.00 H new ATOM 0 HG3 GLU A 69 1.988 22.627 -11.281 1.00100.00 H new