USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=19 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 14 CYS SG : rot 145:sc= 0.384 USER MOD Set 1.2: A 23 CYS SG : rot -22:sc= 0.947 USER MOD Set 1.3: A 26 CYS SG : rot -179:sc= -3.11! USER MOD Set 2.1: A 9 MET CE :methyl -166:sc=-0.00933 (180deg=0) USER MOD Set 2.2: A 11 GLN : amide:sc= 0.468 K(o=0.46,f=-7.5!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0252 (180deg=0) USER MOD Single : A 2 SER OG : rot 167:sc= 0.23 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= 0.277 USER MOD Single : A 8 THR OG1 : rot 81:sc= 0.551 USER MOD Single : A 16 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.11) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0458 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.724 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0629 (180deg=-0.376) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 31 TYR OH : rot -134:sc= 0.00214 USER MOD Single : A 33 ASN : amide:sc= -0.0356 X(o=-0.036,f=-0.18) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0323) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 53:sc= -0.243 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.359 -10.401 -14.655 1.00100.00 N ATOM 2 CA GLY A 1 -11.566 -11.407 -13.925 1.00100.00 C ATOM 3 C GLY A 1 -10.508 -11.968 -14.814 1.00100.00 C ATOM 4 O GLY A 1 -10.707 -12.190 -16.010 1.00100.00 O ATOM 0 H1 GLY A 1 -13.367 -10.523 -14.430 1.00100.00 H new ATOM 0 H2 GLY A 1 -12.054 -9.447 -14.373 1.00100.00 H new ATOM 0 H3 GLY A 1 -12.216 -10.522 -15.678 1.00100.00 H new ATOM 0 HA2 GLY A 1 -11.110 -10.953 -13.045 1.00100.00 H new ATOM 0 HA3 GLY A 1 -12.216 -12.207 -13.571 1.00100.00 H new ATOM 10 N SER A 2 -9.330 -12.170 -14.185 1.00100.00 N ATOM 11 CA SER A 2 -8.179 -12.704 -14.856 1.00100.00 C ATOM 12 C SER A 2 -7.663 -13.864 -14.067 1.00100.00 C ATOM 13 O SER A 2 -7.857 -13.942 -12.847 1.00100.00 O ATOM 14 CB SER A 2 -7.037 -11.674 -15.044 1.00100.00 C ATOM 15 OG SER A 2 -6.582 -11.234 -13.783 1.00100.00 O ATOM 0 H SER A 2 -9.175 -11.960 -13.199 1.00100.00 H new ATOM 0 HA SER A 2 -8.499 -13.002 -15.854 1.00100.00 H new ATOM 0 HB2 SER A 2 -6.216 -12.125 -15.601 1.00100.00 H new ATOM 0 HB3 SER A 2 -7.392 -10.826 -15.630 1.00100.00 H new ATOM 0 HG SER A 2 -5.734 -10.755 -13.890 1.00100.00 H new ATOM 21 N THR A 3 -7.002 -14.808 -14.772 1.00100.00 N ATOM 22 CA THR A 3 -6.447 -15.972 -14.144 1.00100.00 C ATOM 23 C THR A 3 -5.100 -15.559 -13.624 1.00100.00 C ATOM 24 O THR A 3 -4.059 -15.720 -14.261 1.00100.00 O ATOM 25 CB THR A 3 -6.363 -17.169 -15.068 1.00100.00 C ATOM 26 OG1 THR A 3 -7.649 -17.461 -15.569 1.00100.00 O ATOM 27 CG2 THR A 3 -5.833 -18.386 -14.312 1.00100.00 C ATOM 0 H THR A 3 -6.852 -14.763 -15.780 1.00100.00 H new ATOM 0 HA THR A 3 -7.097 -16.312 -13.338 1.00100.00 H new ATOM 0 HB THR A 3 -5.684 -16.936 -15.889 1.00100.00 H new ATOM 0 HG1 THR A 3 -7.599 -18.234 -16.169 1.00100.00 H new ATOM 0 HG21 THR A 3 -5.778 -19.239 -14.988 1.00100.00 H new ATOM 0 HG22 THR A 3 -4.839 -18.167 -13.922 1.00100.00 H new ATOM 0 HG23 THR A 3 -6.503 -18.621 -13.485 1.00100.00 H new ATOM 35 N ALA A 4 -5.149 -14.949 -12.428 1.00100.00 N ATOM 36 CA ALA A 4 -4.002 -14.474 -11.723 1.00100.00 C ATOM 37 C ALA A 4 -3.923 -15.352 -10.524 1.00100.00 C ATOM 38 O ALA A 4 -4.946 -15.727 -9.938 1.00100.00 O ATOM 39 CB ALA A 4 -4.140 -13.019 -11.231 1.00100.00 C ATOM 0 H ALA A 4 -6.024 -14.780 -11.932 1.00100.00 H new ATOM 0 HA ALA A 4 -3.131 -14.496 -12.378 1.00100.00 H new ATOM 0 HB1 ALA A 4 -3.232 -12.725 -10.704 1.00100.00 H new ATOM 0 HB2 ALA A 4 -4.294 -12.359 -12.085 1.00100.00 H new ATOM 0 HB3 ALA A 4 -4.992 -12.943 -10.556 1.00100.00 H new ATOM 45 N MET A 5 -2.675 -15.707 -10.149 1.00100.00 N ATOM 46 CA MET A 5 -2.443 -16.556 -9.017 1.00100.00 C ATOM 47 C MET A 5 -2.926 -15.903 -7.754 1.00100.00 C ATOM 48 O MET A 5 -2.872 -14.677 -7.614 1.00100.00 O ATOM 49 CB MET A 5 -0.960 -16.974 -8.852 1.00100.00 C ATOM 50 CG MET A 5 -0.085 -15.825 -8.345 1.00100.00 C ATOM 51 SD MET A 5 -0.006 -14.372 -9.424 1.00100.00 S ATOM 52 CE MET A 5 1.076 -13.329 -8.413 1.00100.00 C ATOM 0 H MET A 5 -1.828 -15.405 -10.631 1.00100.00 H new ATOM 0 HA MET A 5 -3.012 -17.466 -9.207 1.00100.00 H new ATOM 0 HB2 MET A 5 -0.896 -17.811 -8.156 1.00100.00 H new ATOM 0 HB3 MET A 5 -0.575 -17.325 -9.809 1.00100.00 H new ATOM 0 HG2 MET A 5 -0.456 -15.512 -7.369 1.00100.00 H new ATOM 0 HG3 MET A 5 0.927 -16.201 -8.195 1.00100.00 H new ATOM 0 HE1 MET A 5 1.242 -12.378 -8.920 1.00100.00 H new ATOM 0 HE2 MET A 5 0.607 -13.148 -7.446 1.00100.00 H new ATOM 0 HE3 MET A 5 2.031 -13.832 -8.264 1.00100.00 H new ATOM 62 N ALA A 6 -3.744 -16.698 -7.026 1.00100.00 N ATOM 63 CA ALA A 6 -4.381 -16.354 -5.779 1.00100.00 C ATOM 64 C ALA A 6 -5.280 -15.141 -5.895 1.00100.00 C ATOM 65 O ALA A 6 -5.491 -14.414 -4.922 1.00100.00 O ATOM 66 CB ALA A 6 -3.367 -16.186 -4.620 1.00100.00 C ATOM 0 H ALA A 6 -3.976 -17.644 -7.329 1.00100.00 H new ATOM 0 HA ALA A 6 -5.018 -17.204 -5.534 1.00100.00 H new ATOM 0 HB1 ALA A 6 -3.900 -15.927 -3.705 1.00100.00 H new ATOM 0 HB2 ALA A 6 -2.825 -17.120 -4.473 1.00100.00 H new ATOM 0 HB3 ALA A 6 -2.662 -15.392 -4.866 1.00100.00 H new ATOM 72 N THR A 7 -5.843 -14.926 -7.117 1.00100.00 N ATOM 73 CA THR A 7 -6.737 -13.852 -7.481 1.00100.00 C ATOM 74 C THR A 7 -6.200 -12.482 -7.112 1.00100.00 C ATOM 75 O THR A 7 -6.918 -11.628 -6.586 1.00100.00 O ATOM 76 CB THR A 7 -8.172 -14.082 -7.038 1.00100.00 C ATOM 77 OG1 THR A 7 -8.243 -14.128 -5.630 1.00100.00 O ATOM 78 CG2 THR A 7 -8.698 -15.395 -7.617 1.00100.00 C ATOM 0 H THR A 7 -5.657 -15.550 -7.902 1.00100.00 H new ATOM 0 HA THR A 7 -6.777 -13.863 -8.570 1.00100.00 H new ATOM 0 HB THR A 7 -8.784 -13.258 -7.403 1.00100.00 H new ATOM 0 HG1 THR A 7 -7.340 -14.067 -5.255 1.00100.00 H new ATOM 0 HG21 THR A 7 -9.727 -15.549 -7.293 1.00100.00 H new ATOM 0 HG22 THR A 7 -8.663 -15.352 -8.706 1.00100.00 H new ATOM 0 HG23 THR A 7 -8.079 -16.221 -7.266 1.00100.00 H new ATOM 86 N THR A 8 -4.887 -12.262 -7.380 1.00100.00 N ATOM 87 CA THR A 8 -4.211 -11.017 -7.091 1.00100.00 C ATOM 88 C THR A 8 -4.680 -9.993 -8.094 1.00100.00 C ATOM 89 O THR A 8 -4.845 -10.295 -9.279 1.00100.00 O ATOM 90 CB THR A 8 -2.701 -11.174 -7.116 1.00100.00 C ATOM 91 OG1 THR A 8 -2.328 -12.151 -6.168 1.00100.00 O ATOM 92 CG2 THR A 8 -2.004 -9.858 -6.777 1.00100.00 C ATOM 0 H THR A 8 -4.282 -12.964 -7.807 1.00100.00 H new ATOM 0 HA THR A 8 -4.458 -10.690 -6.081 1.00100.00 H new ATOM 0 HB THR A 8 -2.399 -11.475 -8.119 1.00100.00 H new ATOM 0 HG1 THR A 8 -2.455 -13.044 -6.551 1.00100.00 H new ATOM 0 HG21 THR A 8 -0.924 -10.001 -6.803 1.00100.00 H new ATOM 0 HG22 THR A 8 -2.287 -9.098 -7.506 1.00100.00 H new ATOM 0 HG23 THR A 8 -2.303 -9.534 -5.780 1.00100.00 H new ATOM 100 N MET A 9 -4.925 -8.751 -7.608 1.00100.00 N ATOM 101 CA MET A 9 -5.391 -7.683 -8.450 1.00100.00 C ATOM 102 C MET A 9 -4.198 -7.173 -9.212 1.00100.00 C ATOM 103 O MET A 9 -3.097 -7.042 -8.675 1.00100.00 O ATOM 104 CB MET A 9 -6.042 -6.521 -7.675 1.00100.00 C ATOM 105 CG MET A 9 -6.867 -5.678 -8.645 1.00100.00 C ATOM 106 SD MET A 9 -8.290 -6.574 -9.323 1.00100.00 S ATOM 107 CE MET A 9 -8.896 -5.338 -10.497 1.00100.00 C ATOM 0 H MET A 9 -4.799 -8.489 -6.630 1.00100.00 H new ATOM 0 HA MET A 9 -6.170 -8.076 -9.103 1.00100.00 H new ATOM 0 HB2 MET A 9 -6.677 -6.909 -6.879 1.00100.00 H new ATOM 0 HB3 MET A 9 -5.275 -5.908 -7.201 1.00100.00 H new ATOM 0 HG2 MET A 9 -7.218 -4.783 -8.132 1.00100.00 H new ATOM 0 HG3 MET A 9 -6.229 -5.347 -9.464 1.00100.00 H new ATOM 0 HE1 MET A 9 -9.900 -5.608 -10.824 1.00100.00 H new ATOM 0 HE2 MET A 9 -8.922 -4.361 -10.015 1.00100.00 H new ATOM 0 HE3 MET A 9 -8.231 -5.299 -11.360 1.00100.00 H new ATOM 117 N GLU A 10 -4.384 -7.065 -10.540 1.00100.00 N ATOM 118 CA GLU A 10 -3.375 -6.647 -11.473 1.00100.00 C ATOM 119 C GLU A 10 -2.826 -5.264 -11.328 1.00100.00 C ATOM 120 O GLU A 10 -1.607 -5.106 -11.431 1.00100.00 O ATOM 121 CB GLU A 10 -3.826 -6.818 -12.932 1.00100.00 C ATOM 122 CG GLU A 10 -4.228 -8.268 -13.200 1.00100.00 C ATOM 123 CD GLU A 10 -4.628 -8.479 -14.656 1.00100.00 C ATOM 124 OE1 GLU A 10 -5.128 -7.504 -15.261 1.00100.00 O1- ATOM 125 OE2 GLU A 10 -4.432 -9.615 -15.137 1.00100.00 O ATOM 0 H GLU A 10 -5.276 -7.278 -10.986 1.00100.00 H new ATOM 0 HA GLU A 10 -2.562 -7.323 -11.210 1.00100.00 H new ATOM 0 HB2 GLU A 10 -4.667 -6.157 -13.139 1.00100.00 H new ATOM 0 HB3 GLU A 10 -3.019 -6.527 -13.605 1.00100.00 H new ATOM 0 HG2 GLU A 10 -3.398 -8.929 -12.951 1.00100.00 H new ATOM 0 HG3 GLU A 10 -5.059 -8.542 -12.550 1.00100.00 H new ATOM 132 N GLN A 11 -3.683 -4.244 -11.059 1.00100.00 N ATOM 133 CA GLN A 11 -3.170 -2.893 -10.964 1.00100.00 C ATOM 134 C GLN A 11 -2.350 -2.653 -9.734 1.00100.00 C ATOM 135 O GLN A 11 -2.467 -3.342 -8.716 1.00100.00 O ATOM 136 CB GLN A 11 -4.173 -1.710 -11.079 1.00100.00 C ATOM 137 CG GLN A 11 -5.260 -1.789 -10.010 1.00100.00 C ATOM 138 CD GLN A 11 -6.522 -2.460 -10.530 1.00100.00 C ATOM 139 OE1 GLN A 11 -6.454 -3.461 -11.237 1.00100.00 O ATOM 140 NE2 GLN A 11 -7.682 -1.901 -10.177 1.00100.00 N ATOM 0 H GLN A 11 -4.688 -4.344 -10.913 1.00100.00 H new ATOM 0 HA GLN A 11 -2.568 -2.877 -11.873 1.00100.00 H new ATOM 0 HB2 GLN A 11 -3.636 -0.766 -10.984 1.00100.00 H new ATOM 0 HB3 GLN A 11 -4.633 -1.717 -12.067 1.00100.00 H new ATOM 0 HG2 GLN A 11 -4.883 -2.342 -9.150 1.00100.00 H new ATOM 0 HG3 GLN A 11 -5.500 -0.784 -9.662 1.00100.00 H new ATOM 0 HE21 GLN A 11 -7.689 -1.069 -9.587 1.00100.00 H new ATOM 0 HE22 GLN A 11 -8.562 -2.306 -10.497 1.00100.00 H new ATOM 149 N GLU A 12 -1.488 -1.620 -9.844 1.00100.00 N ATOM 150 CA GLU A 12 -0.591 -1.220 -8.803 1.00100.00 C ATOM 151 C GLU A 12 -1.334 -0.357 -7.811 1.00100.00 C ATOM 152 O GLU A 12 -1.380 0.870 -7.901 1.00100.00 O ATOM 153 CB GLU A 12 0.659 -0.513 -9.373 1.00100.00 C ATOM 154 CG GLU A 12 1.368 -1.331 -10.449 1.00100.00 C ATOM 155 CD GLU A 12 2.713 -0.715 -10.812 1.00100.00 C ATOM 156 OE1 GLU A 12 2.822 0.528 -10.717 1.00100.00 O ATOM 157 OE2 GLU A 12 3.614 -1.499 -11.177 1.00100.00 O1- ATOM 0 H GLU A 12 -1.415 -1.047 -10.685 1.00100.00 H new ATOM 0 HA GLU A 12 -0.225 -2.106 -8.284 1.00100.00 H new ATOM 0 HB2 GLU A 12 0.366 0.450 -9.791 1.00100.00 H new ATOM 0 HB3 GLU A 12 1.357 -0.309 -8.561 1.00100.00 H new ATOM 0 HG2 GLU A 12 1.516 -2.351 -10.095 1.00100.00 H new ATOM 0 HG3 GLU A 12 0.740 -1.390 -11.338 1.00100.00 H new ATOM 164 N ILE A 13 -1.958 -1.053 -6.832 1.00100.00 N ATOM 165 CA ILE A 13 -2.761 -0.470 -5.785 1.00100.00 C ATOM 166 C ILE A 13 -2.091 0.061 -4.545 1.00100.00 C ATOM 167 O ILE A 13 -2.765 0.744 -3.769 1.00100.00 O ATOM 168 CB ILE A 13 -3.943 -1.342 -5.357 1.00100.00 C ATOM 169 CG1 ILE A 13 -3.535 -2.719 -4.819 1.00100.00 C ATOM 170 CG2 ILE A 13 -4.843 -1.574 -6.565 1.00100.00 C ATOM 171 CD1 ILE A 13 -2.890 -2.642 -3.436 1.00100.00 C ATOM 0 H ILE A 13 -1.901 -2.069 -6.767 1.00100.00 H new ATOM 0 HA ILE A 13 -3.088 0.419 -6.324 1.00100.00 H new ATOM 0 HB ILE A 13 -4.444 -0.806 -4.551 1.00100.00 H new ATOM 0 HG12 ILE A 13 -4.414 -3.361 -4.770 1.00100.00 H new ATOM 0 HG13 ILE A 13 -2.838 -3.185 -5.515 1.00100.00 H new ATOM 0 HG21 ILE A 13 -5.690 -2.195 -6.274 1.00100.00 H new ATOM 0 HG22 ILE A 13 -5.206 -0.616 -6.938 1.00100.00 H new ATOM 0 HG23 ILE A 13 -4.277 -2.077 -7.349 1.00100.00 H new ATOM 0 HD11 ILE A 13 -2.621 -3.645 -3.104 1.00100.00 H new ATOM 0 HD12 ILE A 13 -1.994 -2.024 -3.486 1.00100.00 H new ATOM 0 HD13 ILE A 13 -3.595 -2.203 -2.730 1.00100.00 H new ATOM 183 N CYS A 14 -0.780 -0.209 -4.318 1.00100.00 N ATOM 184 CA CYS A 14 -0.092 0.273 -3.133 1.00100.00 C ATOM 185 C CYS A 14 -0.053 1.773 -3.161 1.00100.00 C ATOM 186 O CYS A 14 0.013 2.398 -4.222 1.00100.00 O ATOM 187 CB CYS A 14 1.328 -0.290 -2.891 1.00100.00 C ATOM 188 SG CYS A 14 1.960 0.205 -1.268 1.00100.00 S ATOM 0 H CYS A 14 -0.196 -0.758 -4.949 1.00100.00 H new ATOM 0 HA CYS A 14 -0.675 -0.103 -2.293 1.00100.00 H new ATOM 0 HB2 CYS A 14 1.308 -1.378 -2.960 1.00100.00 H new ATOM 0 HB3 CYS A 14 2.001 0.066 -3.671 1.00100.00 H new ATOM 0 HG CYS A 14 2.688 -0.753 -0.775 1.00100.00 H new ATOM 193 N ALA A 15 -0.106 2.362 -1.945 1.00100.00 N ATOM 194 CA ALA A 15 -0.148 3.782 -1.711 1.00100.00 C ATOM 195 C ALA A 15 1.040 4.506 -2.263 1.00100.00 C ATOM 196 O ALA A 15 0.875 5.575 -2.855 1.00100.00 O ATOM 197 CB ALA A 15 -0.226 4.111 -0.211 1.00100.00 C ATOM 0 H ALA A 15 -0.120 1.820 -1.081 1.00100.00 H new ATOM 0 HA ALA A 15 -1.047 4.118 -2.228 1.00100.00 H new ATOM 0 HB1 ALA A 15 -0.256 5.192 -0.077 1.00100.00 H new ATOM 0 HB2 ALA A 15 -1.127 3.668 0.212 1.00100.00 H new ATOM 0 HB3 ALA A 15 0.650 3.707 0.296 1.00100.00 H new ATOM 203 N HIS A 16 2.250 3.926 -2.090 1.00100.00 N ATOM 204 CA HIS A 16 3.471 4.510 -2.575 1.00100.00 C ATOM 205 C HIS A 16 3.507 4.629 -4.075 1.00100.00 C ATOM 206 O HIS A 16 3.957 5.674 -4.548 1.00100.00 O ATOM 207 CB HIS A 16 4.719 3.763 -2.107 1.00100.00 C ATOM 208 CG HIS A 16 4.970 3.872 -0.631 1.00100.00 C ATOM 209 ND1 HIS A 16 4.231 3.281 0.367 1.00100.00 N ATOM 210 CD2 HIS A 16 5.996 4.561 -0.042 1.00100.00 C ATOM 211 CE1 HIS A 16 4.806 3.617 1.536 1.00100.00 C ATOM 212 NE2 HIS A 16 5.884 4.394 1.339 1.00100.00 N ATOM 0 H HIS A 16 2.382 3.038 -1.606 1.00100.00 H new ATOM 0 HA HIS A 16 3.481 5.510 -2.142 1.00100.00 H new ATOM 0 HB2 HIS A 16 4.623 2.710 -2.373 1.00100.00 H new ATOM 0 HB3 HIS A 16 5.586 4.150 -2.643 1.00100.00 H new ATOM 0 HD2 HIS A 16 6.756 5.132 -0.555 1.00100.00 H new ATOM 0 HE1 HIS A 16 4.448 3.303 2.505 1.00100.00 H new ATOM 0 HE2 HIS A 16 6.497 4.784 2.055 1.00100.00 H new ATOM 219 N SER A 17 3.038 3.570 -4.820 1.00100.00 N ATOM 220 CA SER A 17 3.002 3.533 -6.278 1.00100.00 C ATOM 221 C SER A 17 2.809 2.146 -6.832 1.00100.00 C ATOM 222 O SER A 17 1.944 1.941 -7.679 1.00100.00 O ATOM 223 CB SER A 17 4.276 4.050 -7.012 1.00100.00 C ATOM 224 OG SER A 17 5.423 3.367 -6.554 1.00100.00 O ATOM 0 H SER A 17 2.675 2.719 -4.391 1.00100.00 H new ATOM 0 HA SER A 17 2.160 4.198 -6.467 1.00100.00 H new ATOM 0 HB2 SER A 17 4.166 3.908 -8.087 1.00100.00 H new ATOM 0 HB3 SER A 17 4.391 5.121 -6.842 1.00100.00 H new ATOM 0 HG SER A 17 6.214 3.702 -7.026 1.00100.00 H new ATOM 230 N MET A 18 3.595 1.165 -6.330 1.00100.00 N ATOM 231 CA MET A 18 3.591 -0.202 -6.804 1.00100.00 C ATOM 232 C MET A 18 2.490 -1.085 -6.285 1.00100.00 C ATOM 233 O MET A 18 1.428 -0.569 -5.957 1.00100.00 O ATOM 234 CB MET A 18 4.969 -0.863 -6.625 1.00100.00 C ATOM 235 CG MET A 18 6.099 -0.023 -7.208 1.00100.00 C ATOM 236 SD MET A 18 7.692 -0.881 -7.158 1.00100.00 S ATOM 237 CE MET A 18 8.719 0.374 -7.957 1.00100.00 C ATOM 0 H MET A 18 4.256 1.325 -5.570 1.00100.00 H new ATOM 0 HA MET A 18 3.367 -0.105 -7.866 1.00100.00 H new ATOM 0 HB2 MET A 18 5.154 -1.029 -5.564 1.00100.00 H new ATOM 0 HB3 MET A 18 4.964 -1.842 -7.104 1.00100.00 H new ATOM 0 HG2 MET A 18 5.861 0.236 -8.240 1.00100.00 H new ATOM 0 HG3 MET A 18 6.176 0.913 -6.654 1.00100.00 H new ATOM 0 HE1 MET A 18 9.748 0.019 -8.016 1.00100.00 H new ATOM 0 HE2 MET A 18 8.343 0.566 -8.962 1.00100.00 H new ATOM 0 HE3 MET A 18 8.686 1.295 -7.375 1.00100.00 H new ATOM 247 N THR A 19 2.509 -2.372 -6.725 1.00100.00 N ATOM 248 CA THR A 19 1.544 -3.399 -6.382 1.00100.00 C ATOM 249 C THR A 19 1.760 -3.828 -4.937 1.00100.00 C ATOM 250 O THR A 19 2.787 -3.521 -4.330 1.00100.00 O ATOM 251 CB THR A 19 1.682 -4.586 -7.349 1.00100.00 C ATOM 252 OG1 THR A 19 1.510 -4.134 -8.670 1.00100.00 O ATOM 253 CG2 THR A 19 0.636 -5.672 -7.091 1.00100.00 C ATOM 0 H THR A 19 3.236 -2.715 -7.353 1.00100.00 H new ATOM 0 HA THR A 19 0.531 -3.008 -6.476 1.00100.00 H new ATOM 0 HB THR A 19 2.674 -5.011 -7.193 1.00100.00 H new ATOM 0 HG1 THR A 19 1.599 -4.889 -9.288 1.00100.00 H new ATOM 0 HG21 THR A 19 0.776 -6.488 -7.800 1.00100.00 H new ATOM 0 HG22 THR A 19 0.748 -6.051 -6.075 1.00100.00 H new ATOM 0 HG23 THR A 19 -0.362 -5.252 -7.214 1.00100.00 H new ATOM 261 N PHE A 20 0.766 -4.540 -4.349 1.00100.00 N ATOM 262 CA PHE A 20 0.758 -5.071 -3.006 1.00100.00 C ATOM 263 C PHE A 20 1.926 -6.032 -2.875 1.00100.00 C ATOM 264 O PHE A 20 2.634 -6.028 -1.869 1.00100.00 O ATOM 265 CB PHE A 20 -0.590 -5.810 -2.812 1.00100.00 C ATOM 266 CG PHE A 20 -0.718 -6.440 -1.446 1.00100.00 C ATOM 267 CD1 PHE A 20 -1.151 -5.670 -0.359 1.00100.00 C ATOM 268 CD2 PHE A 20 -0.384 -7.789 -1.262 1.00100.00 C ATOM 269 CE1 PHE A 20 -1.256 -6.251 0.911 1.00100.00 C ATOM 270 CE2 PHE A 20 -0.489 -8.370 0.008 1.00100.00 C ATOM 271 CZ PHE A 20 -0.925 -7.600 1.095 1.00100.00 C ATOM 0 H PHE A 20 -0.095 -4.760 -4.850 1.00100.00 H new ATOM 0 HA PHE A 20 0.858 -4.291 -2.251 1.00100.00 H new ATOM 0 HB2 PHE A 20 -1.410 -5.107 -2.962 1.00100.00 H new ATOM 0 HB3 PHE A 20 -0.689 -6.582 -3.575 1.00100.00 H new ATOM 0 HD1 PHE A 20 -1.404 -4.629 -0.500 1.00100.00 H new ATOM 0 HD2 PHE A 20 -0.046 -8.380 -2.100 1.00100.00 H new ATOM 0 HE1 PHE A 20 -1.592 -5.659 1.749 1.00100.00 H new ATOM 0 HE2 PHE A 20 -0.234 -9.410 0.150 1.00100.00 H new ATOM 0 HZ PHE A 20 -1.006 -8.047 2.075 1.00100.00 H new ATOM 281 N GLU A 21 2.141 -6.871 -3.909 1.00100.00 N ATOM 282 CA GLU A 21 3.210 -7.831 -4.011 1.00100.00 C ATOM 283 C GLU A 21 4.553 -7.124 -4.055 1.00100.00 C ATOM 284 O GLU A 21 5.519 -7.565 -3.438 1.00100.00 O ATOM 285 CB GLU A 21 2.996 -8.682 -5.274 1.00100.00 C ATOM 286 CG GLU A 21 4.013 -9.818 -5.356 1.00100.00 C ATOM 287 CD GLU A 21 3.711 -10.759 -6.520 1.00100.00 C ATOM 288 OE1 GLU A 21 2.757 -10.464 -7.272 1.00100.00 O ATOM 289 OE2 GLU A 21 4.443 -11.767 -6.633 1.00100.00 O1- ATOM 0 H GLU A 21 1.531 -6.881 -4.727 1.00100.00 H new ATOM 0 HA GLU A 21 3.206 -8.481 -3.136 1.00100.00 H new ATOM 0 HB2 GLU A 21 1.987 -9.094 -5.271 1.00100.00 H new ATOM 0 HB3 GLU A 21 3.080 -8.051 -6.159 1.00100.00 H new ATOM 0 HG2 GLU A 21 5.014 -9.403 -5.473 1.00100.00 H new ATOM 0 HG3 GLU A 21 4.008 -10.380 -4.422 1.00100.00 H new ATOM 296 N GLU A 22 4.605 -5.977 -4.773 1.00100.00 N ATOM 297 CA GLU A 22 5.768 -5.145 -4.981 1.00100.00 C ATOM 298 C GLU A 22 5.897 -4.067 -3.929 1.00100.00 C ATOM 299 O GLU A 22 6.730 -3.164 -4.063 1.00100.00 O ATOM 300 CB GLU A 22 5.738 -4.482 -6.373 1.00100.00 C ATOM 301 CG GLU A 22 5.713 -5.524 -7.489 1.00100.00 C ATOM 302 CD GLU A 22 7.000 -6.337 -7.506 1.00100.00 C ATOM 303 OE1 GLU A 22 8.040 -5.739 -7.857 1.00100.00 O ATOM 304 OE2 GLU A 22 6.924 -7.537 -7.168 1.00100.00 O1- ATOM 0 H GLU A 22 3.779 -5.604 -5.241 1.00100.00 H new ATOM 0 HA GLU A 22 6.631 -5.807 -4.908 1.00100.00 H new ATOM 0 HB2 GLU A 22 4.860 -3.841 -6.453 1.00100.00 H new ATOM 0 HB3 GLU A 22 6.612 -3.842 -6.491 1.00100.00 H new ATOM 0 HG2 GLU A 22 4.860 -6.189 -7.351 1.00100.00 H new ATOM 0 HG3 GLU A 22 5.579 -5.029 -8.451 1.00100.00 H new ATOM 311 N CYS A 23 5.108 -4.162 -2.830 1.00100.00 N ATOM 312 CA CYS A 23 5.103 -3.213 -1.747 1.00100.00 C ATOM 313 C CYS A 23 6.452 -3.059 -1.079 1.00100.00 C ATOM 314 O CYS A 23 6.775 -1.909 -0.804 1.00100.00 O ATOM 315 CB CYS A 23 4.038 -3.504 -0.667 1.00100.00 C ATOM 316 SG CYS A 23 4.009 -2.151 0.536 1.00100.00 S ATOM 0 H CYS A 23 4.450 -4.929 -2.692 1.00100.00 H new ATOM 0 HA CYS A 23 4.844 -2.274 -2.236 1.00100.00 H new ATOM 0 HB2 CYS A 23 3.057 -3.614 -1.129 1.00100.00 H new ATOM 0 HB3 CYS A 23 4.262 -4.446 -0.165 1.00100.00 H new ATOM 0 HG CYS A 23 5.140 -1.511 0.497 1.00100.00 H new ATOM 322 N PRO A 24 7.296 -4.111 -0.790 1.00100.00 N ATOM 323 CA PRO A 24 8.594 -3.881 -0.192 1.00100.00 C ATOM 324 C PRO A 24 9.475 -2.993 -1.046 1.00100.00 C ATOM 325 O PRO A 24 10.250 -2.230 -0.469 1.00100.00 O ATOM 326 CB PRO A 24 9.179 -5.264 0.117 1.00100.00 C ATOM 327 CG PRO A 24 8.471 -6.156 -0.903 1.00100.00 C ATOM 328 CD PRO A 24 7.088 -5.520 -1.050 1.00100.00 C ATOM 0 HA PRO A 24 8.514 -3.313 0.735 1.00100.00 H new ATOM 0 HB2 PRO A 24 10.262 -5.284 -0.008 1.00100.00 H new ATOM 0 HB3 PRO A 24 8.971 -5.574 1.141 1.00100.00 H new ATOM 0 HG2 PRO A 24 9.004 -6.177 -1.853 1.00100.00 H new ATOM 0 HG3 PRO A 24 8.402 -7.186 -0.553 1.00100.00 H new ATOM 0 HD2 PRO A 24 6.683 -5.682 -2.049 1.00100.00 H new ATOM 0 HD3 PRO A 24 6.378 -5.951 -0.344 1.00100.00 H new ATOM 336 N LYS A 25 9.364 -3.080 -2.397 1.00100.00 N ATOM 337 CA LYS A 25 10.116 -2.269 -3.326 1.00100.00 C ATOM 338 C LYS A 25 9.717 -0.821 -3.280 1.00100.00 C ATOM 339 O LYS A 25 10.520 0.039 -3.642 1.00100.00 O ATOM 340 CB LYS A 25 10.069 -2.737 -4.790 1.00100.00 C ATOM 341 CG LYS A 25 10.591 -4.169 -4.900 1.00100.00 C ATOM 342 CD LYS A 25 10.718 -4.572 -6.369 1.00100.00 C ATOM 343 CE LYS A 25 11.787 -3.742 -7.080 1.00100.00 C ATOM 344 NZ LYS A 25 13.111 -3.930 -6.465 1.00100.00 N1+ ATOM 0 H LYS A 25 8.731 -3.735 -2.856 1.00100.00 H new ATOM 0 HA LYS A 25 11.141 -2.392 -2.977 1.00100.00 H new ATOM 0 HB2 LYS A 25 9.047 -2.685 -5.164 1.00100.00 H new ATOM 0 HB3 LYS A 25 10.670 -2.074 -5.412 1.00100.00 H new ATOM 0 HG2 LYS A 25 11.560 -4.249 -4.408 1.00100.00 H new ATOM 0 HG3 LYS A 25 9.915 -4.851 -4.385 1.00100.00 H new ATOM 0 HD2 LYS A 25 10.970 -5.630 -6.438 1.00100.00 H new ATOM 0 HD3 LYS A 25 9.759 -4.440 -6.869 1.00100.00 H new ATOM 0 HE2 LYS A 25 11.829 -4.025 -8.132 1.00100.00 H new ATOM 0 HE3 LYS A 25 11.514 -2.687 -7.044 1.00100.00 H new ATOM 0 HZ1 LYS A 25 13.848 -3.599 -7.120 1.00100.00 H new ATOM 0 HZ2 LYS A 25 13.164 -3.385 -5.581 1.00100.00 H new ATOM 0 HZ3 LYS A 25 13.258 -4.939 -6.259 1.00100.00 H new ATOM 358 N CYS A 26 8.475 -0.527 -2.817 1.00100.00 N ATOM 359 CA CYS A 26 7.931 0.804 -2.689 1.00100.00 C ATOM 360 C CYS A 26 8.762 1.621 -1.734 1.00100.00 C ATOM 361 O CYS A 26 8.930 2.825 -1.941 1.00100.00 O ATOM 362 CB CYS A 26 6.482 0.804 -2.195 1.00100.00 C ATOM 363 SG CYS A 26 5.347 0.131 -3.425 1.00100.00 S ATOM 0 H CYS A 26 7.821 -1.251 -2.519 1.00100.00 H new ATOM 0 HA CYS A 26 7.952 1.241 -3.687 1.00100.00 H new ATOM 0 HB2 CYS A 26 6.412 0.218 -1.278 1.00100.00 H new ATOM 0 HB3 CYS A 26 6.184 1.823 -1.946 1.00100.00 H new ATOM 0 HG CYS A 26 4.133 0.172 -2.963 1.00100.00 H new ATOM 369 N SER A 27 9.291 0.972 -0.666 1.00100.00 N ATOM 370 CA SER A 27 10.125 1.580 0.345 1.00100.00 C ATOM 371 C SER A 27 11.380 2.132 -0.269 1.00100.00 C ATOM 372 O SER A 27 11.854 3.183 0.169 1.00100.00 O ATOM 373 CB SER A 27 10.525 0.591 1.445 1.00100.00 C ATOM 374 OG SER A 27 9.368 0.082 2.068 1.00100.00 O ATOM 0 H SER A 27 9.130 -0.021 -0.500 1.00100.00 H new ATOM 0 HA SER A 27 9.532 2.378 0.791 1.00100.00 H new ATOM 0 HB2 SER A 27 11.110 -0.225 1.019 1.00100.00 H new ATOM 0 HB3 SER A 27 11.158 1.087 2.181 1.00100.00 H new ATOM 0 HG SER A 27 9.626 -0.551 2.770 1.00100.00 H new ATOM 380 N ALA A 28 11.957 1.408 -1.266 1.00100.00 N ATOM 381 CA ALA A 28 13.136 1.837 -1.976 1.00100.00 C ATOM 382 C ALA A 28 12.743 3.046 -2.778 1.00100.00 C ATOM 383 O ALA A 28 11.661 3.096 -3.367 1.00100.00 O ATOM 384 CB ALA A 28 13.696 0.777 -2.936 1.00100.00 C ATOM 0 H ALA A 28 11.595 0.508 -1.582 1.00100.00 H new ATOM 0 HA ALA A 28 13.920 2.038 -1.246 1.00100.00 H new ATOM 0 HB1 ALA A 28 14.582 1.170 -3.435 1.00100.00 H new ATOM 0 HB2 ALA A 28 13.963 -0.118 -2.374 1.00100.00 H new ATOM 0 HB3 ALA A 28 12.941 0.526 -3.681 1.00100.00 H new ATOM 390 N LEU A 29 13.631 4.049 -2.810 1.00100.00 N ATOM 391 CA LEU A 29 13.401 5.287 -3.495 1.00100.00 C ATOM 392 C LEU A 29 13.946 5.338 -4.892 1.00100.00 C ATOM 393 O LEU A 29 13.960 6.414 -5.497 1.00100.00 O ATOM 394 CB LEU A 29 13.973 6.483 -2.712 1.00100.00 C ATOM 395 CG LEU A 29 12.911 7.113 -1.808 1.00100.00 C ATOM 396 CD1 LEU A 29 12.486 6.167 -0.688 1.00100.00 C ATOM 397 CD2 LEU A 29 13.455 8.410 -1.211 1.00100.00 C ATOM 0 H LEU A 29 14.539 4.002 -2.347 1.00100.00 H new ATOM 0 HA LEU A 29 12.315 5.351 -3.562 1.00100.00 H new ATOM 0 HB2 LEU A 29 14.819 6.155 -2.109 1.00100.00 H new ATOM 0 HB3 LEU A 29 14.350 7.231 -3.410 1.00100.00 H new ATOM 0 HG LEU A 29 12.031 7.321 -2.417 1.00100.00 H new ATOM 0 HD11 LEU A 29 11.731 6.652 -0.069 1.00100.00 H new ATOM 0 HD12 LEU A 29 12.071 5.256 -1.119 1.00100.00 H new ATOM 0 HD13 LEU A 29 13.352 5.917 -0.075 1.00100.00 H new ATOM 0 HD21 LEU A 29 12.699 8.859 -0.567 1.00100.00 H new ATOM 0 HD22 LEU A 29 14.349 8.194 -0.626 1.00100.00 H new ATOM 0 HD23 LEU A 29 13.706 9.103 -2.014 1.00100.00 H new ATOM 409 N GLN A 30 14.274 4.161 -5.482 1.00100.00 N ATOM 410 CA GLN A 30 14.836 4.015 -6.806 1.00100.00 C ATOM 411 C GLN A 30 13.924 4.575 -7.866 1.00100.00 C ATOM 412 O GLN A 30 14.380 5.310 -8.741 1.00100.00 O ATOM 413 CB GLN A 30 15.043 2.530 -7.165 1.00100.00 C ATOM 414 CG GLN A 30 16.036 1.884 -6.202 1.00100.00 C ATOM 415 CD GLN A 30 16.248 0.413 -6.538 1.00100.00 C ATOM 416 OE1 GLN A 30 15.306 -0.287 -6.904 1.00100.00 O ATOM 417 NE2 GLN A 30 17.491 -0.056 -6.414 1.00100.00 N ATOM 0 H GLN A 30 14.141 3.266 -5.012 1.00100.00 H new ATOM 0 HA GLN A 30 15.783 4.555 -6.783 1.00100.00 H new ATOM 0 HB2 GLN A 30 14.090 2.003 -7.123 1.00100.00 H new ATOM 0 HB3 GLN A 30 15.410 2.444 -8.188 1.00100.00 H new ATOM 0 HG2 GLN A 30 16.989 2.412 -6.249 1.00100.00 H new ATOM 0 HG3 GLN A 30 15.669 1.978 -5.180 1.00100.00 H new ATOM 0 HE21 GLN A 30 18.241 0.563 -6.107 1.00100.00 H new ATOM 0 HE22 GLN A 30 17.691 -1.033 -6.627 1.00100.00 H new ATOM 426 N TYR A 31 12.610 4.261 -7.772 1.00100.00 N ATOM 427 CA TYR A 31 11.585 4.704 -8.686 1.00100.00 C ATOM 428 C TYR A 31 11.460 6.205 -8.688 1.00100.00 C ATOM 429 O TYR A 31 11.366 6.818 -9.749 1.00100.00 O ATOM 430 CB TYR A 31 10.216 4.057 -8.304 1.00100.00 C ATOM 431 CG TYR A 31 9.044 4.617 -9.075 1.00100.00 C ATOM 432 CD1 TYR A 31 8.865 4.278 -10.423 1.00100.00 C ATOM 433 CD2 TYR A 31 8.139 5.480 -8.439 1.00100.00 C ATOM 434 CE1 TYR A 31 7.777 4.798 -11.139 1.00100.00 C ATOM 435 CE2 TYR A 31 7.049 6.003 -9.148 1.00100.00 C ATOM 436 CZ TYR A 31 6.864 5.662 -10.503 1.00100.00 C ATOM 437 OH TYR A 31 5.803 6.168 -11.195 1.00100.00 O ATOM 0 H TYR A 31 12.245 3.671 -7.024 1.00100.00 H new ATOM 0 HA TYR A 31 11.870 4.389 -9.690 1.00100.00 H new ATOM 0 HB2 TYR A 31 10.272 2.982 -8.475 1.00100.00 H new ATOM 0 HB3 TYR A 31 10.041 4.201 -7.238 1.00100.00 H new ATOM 0 HD1 TYR A 31 9.565 3.616 -10.911 1.00100.00 H new ATOM 0 HD2 TYR A 31 8.283 5.742 -7.401 1.00100.00 H new ATOM 0 HE1 TYR A 31 7.639 4.536 -12.178 1.00100.00 H new ATOM 0 HE2 TYR A 31 6.352 6.666 -8.657 1.00100.00 H new ATOM 0 HH TYR A 31 5.730 7.130 -11.024 1.00100.00 H new ATOM 447 N ARG A 32 11.473 6.799 -7.480 1.00100.00 N ATOM 448 CA ARG A 32 11.336 8.209 -7.221 1.00100.00 C ATOM 449 C ARG A 32 12.470 9.001 -7.806 1.00100.00 C ATOM 450 O ARG A 32 12.248 10.078 -8.363 1.00100.00 O ATOM 451 CB ARG A 32 11.126 8.413 -5.713 1.00100.00 C ATOM 452 CG ARG A 32 9.741 7.818 -5.416 1.00100.00 C ATOM 453 CD ARG A 32 9.553 7.412 -3.961 1.00100.00 C ATOM 454 NE ARG A 32 9.476 8.564 -3.068 1.00100.00 N ATOM 455 CZ ARG A 32 9.223 8.428 -1.758 1.00100.00 C ATOM 456 NH1 ARG A 32 9.048 7.211 -1.224 1.00100.00 N1+ ATOM 457 NH2 ARG A 32 9.146 9.511 -0.981 1.00100.00 N ATOM 0 H ARG A 32 11.587 6.260 -6.622 1.00100.00 H new ATOM 0 HA ARG A 32 10.456 8.602 -7.730 1.00100.00 H new ATOM 0 HB2 ARG A 32 11.902 7.911 -5.136 1.00100.00 H new ATOM 0 HB3 ARG A 32 11.166 9.470 -5.449 1.00100.00 H new ATOM 0 HG2 ARG A 32 8.976 8.547 -5.683 1.00100.00 H new ATOM 0 HG3 ARG A 32 9.585 6.946 -6.051 1.00100.00 H new ATOM 0 HD2 ARG A 32 8.642 6.821 -3.866 1.00100.00 H new ATOM 0 HD3 ARG A 32 10.381 6.773 -3.655 1.00100.00 H new ATOM 0 HE ARG A 32 9.619 9.499 -3.451 1.00100.00 H new ATOM 0 HH11 ARG A 32 9.107 6.382 -1.815 1.00100.00 H new ATOM 0 HH12 ARG A 32 8.856 7.114 -0.227 1.00100.00 H new ATOM 0 HH21 ARG A 32 9.279 10.438 -1.384 1.00100.00 H new ATOM 0 HH22 ARG A 32 8.954 9.411 0.016 1.00100.00 H new ATOM 471 N ASN A 33 13.707 8.464 -7.716 1.00100.00 N ATOM 472 CA ASN A 33 14.880 9.103 -8.264 1.00100.00 C ATOM 473 C ASN A 33 14.808 9.055 -9.767 1.00100.00 C ATOM 474 O ASN A 33 14.258 8.119 -10.355 1.00100.00 O ATOM 475 CB ASN A 33 16.207 8.424 -7.852 1.00100.00 C ATOM 476 CG ASN A 33 16.398 8.492 -6.342 1.00100.00 C ATOM 477 OD1 ASN A 33 16.285 9.562 -5.748 1.00100.00 O ATOM 478 ND2 ASN A 33 16.687 7.348 -5.717 1.00100.00 N ATOM 0 H ASN A 33 13.899 7.574 -7.257 1.00100.00 H new ATOM 0 HA ASN A 33 14.882 10.120 -7.872 1.00100.00 H new ATOM 0 HB2 ASN A 33 16.206 7.384 -8.177 1.00100.00 H new ATOM 0 HB3 ASN A 33 17.043 8.913 -8.352 1.00100.00 H new ATOM 0 HD21 ASN A 33 16.823 7.339 -4.706 1.00100.00 H new ATOM 0 HD22 ASN A 33 16.771 6.483 -6.250 1.00100.00 H new ATOM 485 N GLY A 34 15.385 10.087 -10.422 1.00100.00 N ATOM 486 CA GLY A 34 15.382 10.190 -11.856 1.00100.00 C ATOM 487 C GLY A 34 14.261 11.042 -12.385 1.00100.00 C ATOM 488 O GLY A 34 14.243 11.307 -13.588 1.00100.00 O ATOM 0 H GLY A 34 15.859 10.858 -9.952 1.00100.00 H new ATOM 0 HA2 GLY A 34 16.334 10.607 -12.186 1.00100.00 H new ATOM 0 HA3 GLY A 34 15.305 9.191 -12.286 1.00100.00 H new ATOM 492 N PHE A 35 13.297 11.468 -11.526 1.00100.00 N ATOM 493 CA PHE A 35 12.209 12.331 -11.925 1.00100.00 C ATOM 494 C PHE A 35 12.691 13.751 -11.940 1.00100.00 C ATOM 495 O PHE A 35 13.494 14.158 -11.097 1.00100.00 O ATOM 496 CB PHE A 35 10.940 12.283 -11.044 1.00100.00 C ATOM 497 CG PHE A 35 9.988 11.159 -11.400 1.00100.00 C ATOM 498 CD1 PHE A 35 10.104 9.899 -10.793 1.00100.00 C ATOM 499 CD2 PHE A 35 8.964 11.386 -12.330 1.00100.00 C ATOM 500 CE1 PHE A 35 9.193 8.879 -11.102 1.00100.00 C ATOM 501 CE2 PHE A 35 8.059 10.364 -12.647 1.00100.00 C ATOM 502 CZ PHE A 35 8.171 9.111 -12.031 1.00100.00 C ATOM 0 H PHE A 35 13.274 11.209 -10.540 1.00100.00 H new ATOM 0 HA PHE A 35 11.912 11.958 -12.905 1.00100.00 H new ATOM 0 HB2 PHE A 35 11.238 12.177 -10.001 1.00100.00 H new ATOM 0 HB3 PHE A 35 10.413 13.233 -11.131 1.00100.00 H new ATOM 0 HD1 PHE A 35 10.898 9.714 -10.085 1.00100.00 H new ATOM 0 HD2 PHE A 35 8.872 12.352 -12.804 1.00100.00 H new ATOM 0 HE1 PHE A 35 9.279 7.915 -10.624 1.00100.00 H new ATOM 0 HE2 PHE A 35 7.274 10.543 -13.367 1.00100.00 H new ATOM 0 HZ PHE A 35 7.470 8.325 -12.272 1.00100.00 H new ATOM 512 N TYR A 36 12.194 14.528 -12.931 1.00100.00 N ATOM 513 CA TYR A 36 12.555 15.903 -13.133 1.00100.00 C ATOM 514 C TYR A 36 12.203 16.797 -11.967 1.00100.00 C ATOM 515 O TYR A 36 13.070 17.545 -11.514 1.00100.00 O ATOM 516 CB TYR A 36 11.945 16.391 -14.479 1.00100.00 C ATOM 517 CG TYR A 36 12.158 17.863 -14.741 1.00100.00 C ATOM 518 CD1 TYR A 36 13.456 18.390 -14.778 1.00100.00 C ATOM 519 CD2 TYR A 36 11.052 18.704 -14.935 1.00100.00 C ATOM 520 CE1 TYR A 36 13.654 19.758 -15.009 1.00100.00 C ATOM 521 CE2 TYR A 36 11.239 20.073 -15.165 1.00100.00 C ATOM 522 CZ TYR A 36 12.544 20.605 -15.205 1.00100.00 C ATOM 523 OH TYR A 36 12.730 21.938 -15.427 1.00100.00 O ATOM 0 H TYR A 36 11.518 14.185 -13.613 1.00100.00 H new ATOM 0 HA TYR A 36 13.641 15.968 -13.192 1.00100.00 H new ATOM 0 HB2 TYR A 36 12.384 15.818 -15.296 1.00100.00 H new ATOM 0 HB3 TYR A 36 10.875 16.181 -14.481 1.00100.00 H new ATOM 0 HD1 TYR A 36 14.306 17.740 -14.628 1.00100.00 H new ATOM 0 HD2 TYR A 36 10.053 18.295 -14.907 1.00100.00 H new ATOM 0 HE1 TYR A 36 14.655 20.163 -15.037 1.00100.00 H new ATOM 0 HE2 TYR A 36 10.386 20.719 -15.311 1.00100.00 H new ATOM 0 HH TYR A 36 11.860 22.375 -15.542 1.00100.00 H new ATOM 533 N LEU A 37 10.957 16.717 -11.437 1.00100.00 N ATOM 534 CA LEU A 37 10.573 17.537 -10.314 1.00100.00 C ATOM 535 C LEU A 37 9.959 16.707 -9.246 1.00100.00 C ATOM 536 O LEU A 37 8.982 15.996 -9.489 1.00100.00 O ATOM 537 CB LEU A 37 9.551 18.653 -10.631 1.00100.00 C ATOM 538 CG LEU A 37 10.105 19.688 -11.612 1.00100.00 C ATOM 539 CD1 LEU A 37 8.985 20.647 -12.013 1.00100.00 C ATOM 540 CD2 LEU A 37 11.238 20.492 -10.976 1.00100.00 C ATOM 0 H LEU A 37 10.226 16.094 -11.780 1.00100.00 H new ATOM 0 HA LEU A 37 11.508 18.006 -10.008 1.00100.00 H new ATOM 0 HB2 LEU A 37 8.648 18.207 -11.048 1.00100.00 H new ATOM 0 HB3 LEU A 37 9.262 19.151 -9.706 1.00100.00 H new ATOM 0 HG LEU A 37 10.493 19.164 -12.485 1.00100.00 H new ATOM 0 HD11 LEU A 37 9.373 21.388 -12.712 1.00100.00 H new ATOM 0 HD12 LEU A 37 8.179 20.087 -12.488 1.00100.00 H new ATOM 0 HD13 LEU A 37 8.603 21.151 -11.126 1.00100.00 H new ATOM 0 HD21 LEU A 37 11.614 21.221 -11.694 1.00100.00 H new ATOM 0 HD22 LEU A 37 10.865 21.011 -10.093 1.00100.00 H new ATOM 0 HD23 LEU A 37 12.044 19.818 -10.686 1.00100.00 H new ATOM 552 N LEU A 38 10.537 16.802 -8.027 1.00100.00 N ATOM 553 CA LEU A 38 10.067 16.099 -6.858 1.00100.00 C ATOM 554 C LEU A 38 8.719 16.618 -6.449 1.00100.00 C ATOM 555 O LEU A 38 7.834 15.854 -6.072 1.00100.00 O ATOM 556 CB LEU A 38 10.991 16.226 -5.633 1.00100.00 C ATOM 557 CG LEU A 38 12.363 15.584 -5.858 1.00100.00 C ATOM 558 CD1 LEU A 38 13.213 15.799 -4.607 1.00100.00 C ATOM 559 CD2 LEU A 38 12.239 14.081 -6.115 1.00100.00 C ATOM 0 H LEU A 38 11.355 17.384 -7.847 1.00100.00 H new ATOM 0 HA LEU A 38 10.035 15.050 -7.153 1.00100.00 H new ATOM 0 HB2 LEU A 38 11.123 17.280 -5.391 1.00100.00 H new ATOM 0 HB3 LEU A 38 10.513 15.759 -4.772 1.00100.00 H new ATOM 0 HG LEU A 38 12.823 16.046 -6.731 1.00100.00 H new ATOM 0 HD11 LEU A 38 14.194 15.347 -4.752 1.00100.00 H new ATOM 0 HD12 LEU A 38 13.329 16.867 -4.425 1.00100.00 H new ATOM 0 HD13 LEU A 38 12.723 15.336 -3.750 1.00100.00 H new ATOM 0 HD21 LEU A 38 13.230 13.656 -6.271 1.00100.00 H new ATOM 0 HD22 LEU A 38 11.770 13.602 -5.255 1.00100.00 H new ATOM 0 HD23 LEU A 38 11.628 13.913 -7.002 1.00100.00 H new ATOM 571 N LYS A 39 8.560 17.956 -6.562 1.00100.00 N ATOM 572 CA LYS A 39 7.390 18.721 -6.223 1.00100.00 C ATOM 573 C LYS A 39 6.183 18.364 -7.041 1.00100.00 C ATOM 574 O LYS A 39 5.065 18.582 -6.570 1.00100.00 O ATOM 575 CB LYS A 39 7.617 20.231 -6.437 1.00100.00 C ATOM 576 CG LYS A 39 8.734 20.782 -5.555 1.00100.00 C ATOM 577 CD LYS A 39 8.858 22.282 -5.825 1.00100.00 C ATOM 578 CE LYS A 39 9.947 22.890 -4.947 1.00100.00 C ATOM 579 NZ LYS A 39 10.076 24.334 -5.202 1.00100.00 N1+ ATOM 0 H LYS A 39 9.310 18.548 -6.919 1.00100.00 H new ATOM 0 HA LYS A 39 7.211 18.482 -5.175 1.00100.00 H new ATOM 0 HB2 LYS A 39 7.860 20.414 -7.484 1.00100.00 H new ATOM 0 HB3 LYS A 39 6.692 20.768 -6.226 1.00100.00 H new ATOM 0 HG2 LYS A 39 8.512 20.602 -4.503 1.00100.00 H new ATOM 0 HG3 LYS A 39 9.675 20.277 -5.773 1.00100.00 H new ATOM 0 HD2 LYS A 39 9.092 22.451 -6.876 1.00100.00 H new ATOM 0 HD3 LYS A 39 7.906 22.774 -5.628 1.00100.00 H new ATOM 0 HE2 LYS A 39 9.710 22.721 -3.896 1.00100.00 H new ATOM 0 HE3 LYS A 39 10.898 22.395 -5.143 1.00100.00 H new ATOM 0 HZ1 LYS A 39 10.736 24.750 -4.514 1.00100.00 H new ATOM 0 HZ2 LYS A 39 10.438 24.485 -6.165 1.00100.00 H new ATOM 0 HZ3 LYS A 39 9.145 24.788 -5.107 1.00100.00 H new ATOM 593 N TYR A 40 6.377 17.810 -8.271 1.00100.00 N ATOM 594 CA TYR A 40 5.299 17.445 -9.158 1.00100.00 C ATOM 595 C TYR A 40 4.422 16.414 -8.498 1.00100.00 C ATOM 596 O TYR A 40 4.903 15.428 -7.938 1.00100.00 O ATOM 597 CB TYR A 40 5.816 16.956 -10.541 1.00100.00 C ATOM 598 CG TYR A 40 4.692 16.601 -11.486 1.00100.00 C ATOM 599 CD1 TYR A 40 3.992 17.621 -12.143 1.00100.00 C ATOM 600 CD2 TYR A 40 4.333 15.259 -11.684 1.00100.00 C ATOM 601 CE1 TYR A 40 2.928 17.308 -13.000 1.00100.00 C ATOM 602 CE2 TYR A 40 3.274 14.935 -12.543 1.00100.00 C ATOM 603 CZ TYR A 40 2.564 15.961 -13.203 1.00100.00 C ATOM 604 OH TYR A 40 1.529 15.655 -14.036 1.00100.00 O ATOM 0 H TYR A 40 7.302 17.614 -8.652 1.00100.00 H new ATOM 0 HA TYR A 40 4.704 18.337 -9.354 1.00100.00 H new ATOM 0 HB2 TYR A 40 6.432 17.734 -10.991 1.00100.00 H new ATOM 0 HB3 TYR A 40 6.456 16.085 -10.399 1.00100.00 H new ATOM 0 HD1 TYR A 40 4.273 18.652 -11.989 1.00100.00 H new ATOM 0 HD2 TYR A 40 4.873 14.475 -11.174 1.00100.00 H new ATOM 0 HE1 TYR A 40 2.388 18.096 -13.504 1.00100.00 H new ATOM 0 HE2 TYR A 40 3.002 13.902 -12.700 1.00100.00 H new ATOM 0 HH TYR A 40 1.409 14.683 -14.066 1.00100.00 H new ATOM 614 N ASP A 41 3.093 16.661 -8.580 1.00100.00 N ATOM 615 CA ASP A 41 2.113 15.810 -7.971 1.00100.00 C ATOM 616 C ASP A 41 1.818 14.641 -8.863 1.00100.00 C ATOM 617 O ASP A 41 1.394 14.780 -10.012 1.00100.00 O ATOM 618 CB ASP A 41 0.802 16.565 -7.632 1.00100.00 C ATOM 619 CG ASP A 41 -0.208 15.622 -6.992 1.00100.00 C ATOM 620 OD1 ASP A 41 0.090 15.143 -5.877 1.00100.00 O1- ATOM 621 OD2 ASP A 41 -1.257 15.393 -7.633 1.00100.00 O ATOM 0 H ASP A 41 2.698 17.461 -9.075 1.00100.00 H new ATOM 0 HA ASP A 41 2.534 15.456 -7.030 1.00100.00 H new ATOM 0 HB2 ASP A 41 1.016 17.391 -6.954 1.00100.00 H new ATOM 0 HB3 ASP A 41 0.380 16.998 -8.539 1.00100.00 H new ATOM 626 N GLU A 42 2.062 13.451 -8.287 1.00100.00 N ATOM 627 CA GLU A 42 1.860 12.172 -8.909 1.00100.00 C ATOM 628 C GLU A 42 1.509 11.240 -7.758 1.00100.00 C ATOM 629 O GLU A 42 1.359 11.682 -6.614 1.00100.00 O ATOM 630 CB GLU A 42 3.118 11.728 -9.707 1.00100.00 C ATOM 631 CG GLU A 42 2.850 10.568 -10.663 1.00100.00 C ATOM 632 CD GLU A 42 4.077 10.309 -11.529 1.00100.00 C ATOM 633 OE1 GLU A 42 4.492 11.262 -12.224 1.00100.00 O ATOM 634 OE2 GLU A 42 4.581 9.167 -11.477 1.00100.00 O1- ATOM 0 H GLU A 42 2.420 13.373 -7.335 1.00100.00 H new ATOM 0 HA GLU A 42 1.066 12.180 -9.655 1.00100.00 H new ATOM 0 HB2 GLU A 42 3.498 12.577 -10.275 1.00100.00 H new ATOM 0 HB3 GLU A 42 3.901 11.438 -9.006 1.00100.00 H new ATOM 0 HG2 GLU A 42 2.599 9.671 -10.097 1.00100.00 H new ATOM 0 HG3 GLU A 42 1.992 10.798 -11.294 1.00100.00 H new ATOM 641 N GLU A 43 1.311 9.927 -8.031 1.00100.00 N ATOM 642 CA GLU A 43 0.952 8.948 -7.033 1.00100.00 C ATOM 643 C GLU A 43 2.015 8.822 -5.964 1.00100.00 C ATOM 644 O GLU A 43 1.685 8.765 -4.777 1.00100.00 O ATOM 645 CB GLU A 43 0.662 7.581 -7.682 1.00100.00 C ATOM 646 CG GLU A 43 0.206 6.557 -6.641 1.00100.00 C ATOM 647 CD GLU A 43 -0.186 5.230 -7.288 1.00100.00 C ATOM 648 OE1 GLU A 43 0.016 5.102 -8.515 1.00100.00 O ATOM 649 OE2 GLU A 43 -0.681 4.361 -6.538 1.00100.00 O1- ATOM 0 H GLU A 43 1.403 9.536 -8.969 1.00100.00 H new ATOM 0 HA GLU A 43 0.040 9.297 -6.548 1.00100.00 H new ATOM 0 HB2 GLU A 43 -0.108 7.694 -8.445 1.00100.00 H new ATOM 0 HB3 GLU A 43 1.558 7.217 -8.185 1.00100.00 H new ATOM 0 HG2 GLU A 43 1.007 6.388 -5.921 1.00100.00 H new ATOM 0 HG3 GLU A 43 -0.643 6.956 -6.086 1.00100.00 H new ATOM 656 N TRP A 44 3.309 8.815 -6.366 1.00100.00 N ATOM 657 CA TRP A 44 4.426 8.724 -5.453 1.00100.00 C ATOM 658 C TRP A 44 4.525 9.943 -4.575 1.00100.00 C ATOM 659 O TRP A 44 4.130 11.038 -4.978 1.00100.00 O ATOM 660 CB TRP A 44 5.768 8.394 -6.155 1.00100.00 C ATOM 661 CG TRP A 44 6.212 9.369 -7.190 1.00100.00 C ATOM 662 CD1 TRP A 44 5.818 9.380 -8.482 1.00100.00 C ATOM 663 CD2 TRP A 44 7.169 10.456 -7.051 1.00100.00 C ATOM 664 NE1 TRP A 44 6.467 10.394 -9.153 1.00100.00 N ATOM 665 CE2 TRP A 44 7.330 11.074 -8.319 1.00100.00 C ATOM 666 CE3 TRP A 44 7.932 10.962 -5.983 1.00100.00 C ATOM 667 CZ2 TRP A 44 8.232 12.120 -8.528 1.00100.00 C ATOM 668 CZ3 TRP A 44 8.843 12.009 -6.181 1.00100.00 C ATOM 669 CH2 TRP A 44 9.007 12.568 -7.455 1.00100.00 C ATOM 0 H TRP A 44 3.587 8.874 -7.346 1.00100.00 H new ATOM 0 HA TRP A 44 4.221 7.872 -4.805 1.00100.00 H new ATOM 0 HB2 TRP A 44 6.546 8.319 -5.395 1.00100.00 H new ATOM 0 HB3 TRP A 44 5.682 7.412 -6.620 1.00100.00 H new ATOM 0 HD1 TRP A 44 5.104 8.699 -8.922 1.00100.00 H new ATOM 0 HE1 TRP A 44 6.327 10.613 -10.139 1.00100.00 H new ATOM 0 HE3 TRP A 44 7.814 10.538 -4.997 1.00100.00 H new ATOM 0 HZ2 TRP A 44 8.329 12.575 -9.503 1.00100.00 H new ATOM 0 HZ3 TRP A 44 9.420 12.386 -5.349 1.00100.00 H new ATOM 0 HH2 TRP A 44 9.736 13.349 -7.609 1.00100.00 H new ATOM 680 N TYR A 45 5.043 9.749 -3.336 1.00100.00 N ATOM 681 CA TYR A 45 5.165 10.803 -2.351 1.00100.00 C ATOM 682 C TYR A 45 6.276 11.766 -2.693 1.00100.00 C ATOM 683 O TYR A 45 7.431 11.343 -2.800 1.00100.00 O ATOM 684 CB TYR A 45 5.532 10.286 -0.941 1.00100.00 C ATOM 685 CG TYR A 45 4.455 9.399 -0.363 1.00100.00 C ATOM 686 CD1 TYR A 45 3.324 9.977 0.228 1.00100.00 C ATOM 687 CD2 TYR A 45 4.574 8.004 -0.445 1.00100.00 C ATOM 688 CE1 TYR A 45 2.306 9.164 0.743 1.00100.00 C ATOM 689 CE2 TYR A 45 3.560 7.183 0.069 1.00100.00 C ATOM 690 CZ TYR A 45 2.421 7.760 0.664 1.00100.00 C ATOM 691 OH TYR A 45 1.431 6.964 1.160 1.00100.00 O ATOM 0 H TYR A 45 5.384 8.844 -3.011 1.00100.00 H new ATOM 0 HA TYR A 45 4.181 11.273 -2.357 1.00100.00 H new ATOM 0 HB2 TYR A 45 6.469 9.732 -0.991 1.00100.00 H new ATOM 0 HB3 TYR A 45 5.698 11.134 -0.276 1.00100.00 H new ATOM 0 HD1 TYR A 45 3.237 11.052 0.287 1.00100.00 H new ATOM 0 HD2 TYR A 45 5.446 7.562 -0.904 1.00100.00 H new ATOM 0 HE1 TYR A 45 1.435 9.611 1.199 1.00100.00 H new ATOM 0 HE2 TYR A 45 3.652 6.109 0.009 1.00100.00 H new ATOM 0 HH TYR A 45 1.669 6.023 1.023 1.00100.00 H new ATOM 701 N PRO A 46 5.952 13.090 -2.834 1.00100.00 N ATOM 702 CA PRO A 46 6.903 14.134 -3.161 1.00100.00 C ATOM 703 C PRO A 46 8.016 14.278 -2.164 1.00100.00 C ATOM 704 O PRO A 46 9.140 14.556 -2.583 1.00100.00 O ATOM 705 CB PRO A 46 6.082 15.419 -3.275 1.00100.00 C ATOM 706 CG PRO A 46 4.695 14.917 -3.654 1.00100.00 C ATOM 707 CD PRO A 46 4.599 13.611 -2.871 1.00100.00 C ATOM 0 HA PRO A 46 7.418 13.888 -4.090 1.00100.00 H new ATOM 0 HB2 PRO A 46 6.067 15.971 -2.335 1.00100.00 H new ATOM 0 HB3 PRO A 46 6.488 16.090 -4.032 1.00100.00 H new ATOM 0 HG2 PRO A 46 3.915 15.622 -3.367 1.00100.00 H new ATOM 0 HG3 PRO A 46 4.600 14.756 -4.728 1.00100.00 H new ATOM 0 HD2 PRO A 46 4.215 13.782 -1.865 1.00100.00 H new ATOM 0 HD3 PRO A 46 3.920 12.910 -3.356 1.00100.00 H new ATOM 715 N GLU A 47 7.711 14.103 -0.854 1.00100.00 N ATOM 716 CA GLU A 47 8.698 14.209 0.187 1.00100.00 C ATOM 717 C GLU A 47 9.432 12.912 0.177 1.00100.00 C ATOM 718 O GLU A 47 8.813 11.849 0.252 1.00100.00 O ATOM 719 CB GLU A 47 8.109 14.395 1.600 1.00100.00 C ATOM 720 CG GLU A 47 9.242 14.545 2.618 1.00100.00 C ATOM 721 CD GLU A 47 8.719 14.765 4.033 1.00100.00 C ATOM 722 OE1 GLU A 47 7.498 14.593 4.233 1.00100.00 O ATOM 723 OE2 GLU A 47 9.560 15.101 4.896 1.00100.00 O1- ATOM 0 H GLU A 47 6.773 13.887 -0.517 1.00100.00 H new ATOM 0 HA GLU A 47 9.312 15.087 -0.011 1.00100.00 H new ATOM 0 HB2 GLU A 47 7.468 15.276 1.624 1.00100.00 H new ATOM 0 HB3 GLU A 47 7.485 13.540 1.860 1.00100.00 H new ATOM 0 HG2 GLU A 47 9.867 13.652 2.598 1.00100.00 H new ATOM 0 HG3 GLU A 47 9.876 15.384 2.332 1.00100.00 H new ATOM 730 N GLU A 48 10.776 12.998 0.098 1.00100.00 N ATOM 731 CA GLU A 48 11.608 11.836 0.047 1.00100.00 C ATOM 732 C GLU A 48 12.254 11.541 1.361 1.00100.00 C ATOM 733 O GLU A 48 12.782 12.420 2.041 1.00100.00 O ATOM 734 CB GLU A 48 12.694 11.898 -1.035 1.00100.00 C ATOM 735 CG GLU A 48 12.092 11.789 -2.434 1.00100.00 C ATOM 736 CD GLU A 48 13.199 11.776 -3.481 1.00100.00 C ATOM 737 OE1 GLU A 48 13.991 12.743 -3.481 1.00100.00 O ATOM 738 OE2 GLU A 48 13.239 10.795 -4.255 1.00100.00 O1- ATOM 0 H GLU A 48 11.287 13.880 0.069 1.00100.00 H new ATOM 0 HA GLU A 48 10.921 11.030 -0.211 1.00100.00 H new ATOM 0 HB2 GLU A 48 13.245 12.834 -0.946 1.00100.00 H new ATOM 0 HB3 GLU A 48 13.410 11.091 -0.881 1.00100.00 H new ATOM 0 HG2 GLU A 48 11.496 10.880 -2.512 1.00100.00 H new ATOM 0 HG3 GLU A 48 11.419 12.627 -2.615 1.00100.00 H new ATOM 745 N LEU A 49 12.166 10.246 1.737 1.00100.00 N ATOM 746 CA LEU A 49 12.685 9.686 2.957 1.00100.00 C ATOM 747 C LEU A 49 14.182 9.810 3.059 1.00100.00 C ATOM 748 O LEU A 49 14.692 10.229 4.099 1.00100.00 O ATOM 749 CB LEU A 49 12.341 8.186 3.049 1.00100.00 C ATOM 750 CG LEU A 49 10.836 7.937 2.916 1.00100.00 C ATOM 751 CD1 LEU A 49 10.574 6.434 2.969 1.00100.00 C ATOM 752 CD2 LEU A 49 10.066 8.623 4.044 1.00100.00 C ATOM 0 H LEU A 49 11.705 9.548 1.154 1.00100.00 H new ATOM 0 HA LEU A 49 12.223 10.250 3.767 1.00100.00 H new ATOM 0 HB2 LEU A 49 12.870 7.643 2.265 1.00100.00 H new ATOM 0 HB3 LEU A 49 12.692 7.791 4.002 1.00100.00 H new ATOM 0 HG LEU A 49 10.496 8.349 1.966 1.00100.00 H new ATOM 0 HD11 LEU A 49 9.504 6.248 2.875 1.00100.00 H new ATOM 0 HD12 LEU A 49 11.101 5.944 2.151 1.00100.00 H new ATOM 0 HD13 LEU A 49 10.929 6.036 3.919 1.00100.00 H new ATOM 0 HD21 LEU A 49 9.000 8.431 3.926 1.00100.00 H new ATOM 0 HD22 LEU A 49 10.401 8.231 5.004 1.00100.00 H new ATOM 0 HD23 LEU A 49 10.247 9.697 4.007 1.00100.00 H new ATOM 764 N LEU A 50 14.908 9.473 1.961 1.00100.00 N ATOM 765 CA LEU A 50 16.349 9.526 1.895 1.00100.00 C ATOM 766 C LEU A 50 16.875 10.916 2.046 1.00100.00 C ATOM 767 O LEU A 50 17.863 11.122 2.755 1.00100.00 O ATOM 768 CB LEU A 50 16.948 8.991 0.575 1.00100.00 C ATOM 769 CG LEU A 50 16.754 7.478 0.437 1.00100.00 C ATOM 770 CD1 LEU A 50 17.182 7.057 -0.970 1.00100.00 C ATOM 771 CD2 LEU A 50 17.599 6.720 1.460 1.00100.00 C ATOM 0 H LEU A 50 14.477 9.154 1.093 1.00100.00 H new ATOM 0 HA LEU A 50 16.652 8.885 2.723 1.00100.00 H new ATOM 0 HB2 LEU A 50 16.479 9.497 -0.269 1.00100.00 H new ATOM 0 HB3 LEU A 50 18.012 9.227 0.536 1.00100.00 H new ATOM 0 HG LEU A 50 15.705 7.241 0.612 1.00100.00 H new ATOM 0 HD11 LEU A 50 17.050 5.981 -1.084 1.00100.00 H new ATOM 0 HD12 LEU A 50 16.571 7.578 -1.707 1.00100.00 H new ATOM 0 HD13 LEU A 50 18.231 7.312 -1.123 1.00100.00 H new ATOM 0 HD21 LEU A 50 17.442 5.648 1.339 1.00100.00 H new ATOM 0 HD22 LEU A 50 18.653 6.952 1.305 1.00100.00 H new ATOM 0 HD23 LEU A 50 17.306 7.019 2.467 1.00100.00 H new ATOM 783 N THR A 51 16.202 11.896 1.401 1.00100.00 N ATOM 784 CA THR A 51 16.629 13.265 1.447 1.00100.00 C ATOM 785 C THR A 51 16.078 13.923 2.682 1.00100.00 C ATOM 786 O THR A 51 14.992 14.508 2.670 1.00100.00 O ATOM 787 CB THR A 51 16.244 14.055 0.205 1.00100.00 C ATOM 788 OG1 THR A 51 14.848 14.043 0.031 1.00100.00 O ATOM 789 CG2 THR A 51 16.911 13.462 -1.035 1.00100.00 C ATOM 0 H THR A 51 15.360 11.737 0.847 1.00100.00 H new ATOM 0 HA THR A 51 17.719 13.262 1.479 1.00100.00 H new ATOM 0 HB THR A 51 16.583 15.082 0.338 1.00100.00 H new ATOM 0 HG1 THR A 51 14.413 14.340 0.857 1.00100.00 H new ATOM 0 HG21 THR A 51 16.624 14.040 -1.914 1.00100.00 H new ATOM 0 HG22 THR A 51 17.994 13.495 -0.917 1.00100.00 H new ATOM 0 HG23 THR A 51 16.591 12.428 -1.161 1.00100.00 H new ATOM 797 N ASP A 52 16.834 13.823 3.799 1.00100.00 N ATOM 798 CA ASP A 52 16.387 14.428 5.020 1.00100.00 C ATOM 799 C ASP A 52 17.065 15.769 5.043 1.00100.00 C ATOM 800 O ASP A 52 18.255 15.891 5.339 1.00100.00 O ATOM 801 CB ASP A 52 16.737 13.586 6.281 1.00100.00 C ATOM 802 CG ASP A 52 16.343 14.326 7.553 1.00100.00 C ATOM 803 OD1 ASP A 52 15.229 14.895 7.558 1.00100.00 O ATOM 804 OD2 ASP A 52 17.163 14.312 8.495 1.00100.00 O1- ATOM 0 H ASP A 52 17.729 13.337 3.856 1.00100.00 H new ATOM 0 HA ASP A 52 15.300 14.506 5.048 1.00100.00 H new ATOM 0 HB2 ASP A 52 16.221 12.627 6.238 1.00100.00 H new ATOM 0 HB3 ASP A 52 17.806 13.372 6.296 1.00100.00 H new ATOM 809 N GLY A 53 16.283 16.795 4.650 1.00100.00 N ATOM 810 CA GLY A 53 16.693 18.171 4.608 1.00100.00 C ATOM 811 C GLY A 53 17.373 18.575 3.331 1.00100.00 C ATOM 812 O GLY A 53 17.585 19.770 3.122 1.00100.00 O ATOM 0 H GLY A 53 15.319 16.660 4.347 1.00100.00 H new ATOM 0 HA2 GLY A 53 15.818 18.803 4.755 1.00100.00 H new ATOM 0 HA3 GLY A 53 17.368 18.362 5.442 1.00100.00 H new ATOM 816 N GLU A 54 17.740 17.608 2.452 1.00100.00 N ATOM 817 CA GLU A 54 18.393 17.910 1.200 1.00100.00 C ATOM 818 C GLU A 54 17.447 18.583 0.245 1.00100.00 C ATOM 819 O GLU A 54 17.825 19.552 -0.416 1.00100.00 O ATOM 820 CB GLU A 54 19.007 16.667 0.533 1.00100.00 C ATOM 821 CG GLU A 54 20.020 16.009 1.467 1.00100.00 C ATOM 822 CD GLU A 54 20.688 14.822 0.788 1.00100.00 C ATOM 823 OE1 GLU A 54 19.998 13.790 0.639 1.00100.00 O ATOM 824 OE2 GLU A 54 21.876 14.968 0.428 1.00100.00 O1- ATOM 0 H GLU A 54 17.583 16.613 2.610 1.00100.00 H new ATOM 0 HA GLU A 54 19.209 18.591 1.441 1.00100.00 H new ATOM 0 HB2 GLU A 54 18.220 15.956 0.280 1.00100.00 H new ATOM 0 HB3 GLU A 54 19.493 16.950 -0.401 1.00100.00 H new ATOM 0 HG2 GLU A 54 20.775 16.737 1.763 1.00100.00 H new ATOM 0 HG3 GLU A 54 19.521 15.679 2.378 1.00100.00 H new ATOM 831 N ASP A 55 16.188 18.076 0.176 1.00100.00 N ATOM 832 CA ASP A 55 15.146 18.610 -0.670 1.00100.00 C ATOM 833 C ASP A 55 14.788 20.010 -0.246 1.00100.00 C ATOM 834 O ASP A 55 14.658 20.899 -1.088 1.00100.00 O ATOM 835 CB ASP A 55 13.850 17.743 -0.697 1.00100.00 C ATOM 836 CG ASP A 55 13.241 17.600 0.694 1.00100.00 C ATOM 837 OD1 ASP A 55 13.924 17.009 1.558 1.00100.00 O ATOM 838 OD2 ASP A 55 12.102 18.086 0.868 1.00100.00 O1- ATOM 0 H ASP A 55 15.887 17.271 0.725 1.00100.00 H new ATOM 0 HA ASP A 55 15.558 18.605 -1.679 1.00100.00 H new ATOM 0 HB2 ASP A 55 13.122 18.197 -1.369 1.00100.00 H new ATOM 0 HB3 ASP A 55 14.080 16.756 -1.097 1.00100.00 H new ATOM 843 N ASP A 56 14.662 20.203 1.093 1.00100.00 N ATOM 844 CA ASP A 56 14.324 21.422 1.783 1.00100.00 C ATOM 845 C ASP A 56 13.050 22.030 1.229 1.00100.00 C ATOM 846 O ASP A 56 12.951 23.238 1.012 1.00100.00 O ATOM 847 CB ASP A 56 15.505 22.433 1.834 1.00100.00 C ATOM 848 CG ASP A 56 15.171 23.621 2.729 1.00100.00 C ATOM 849 OD1 ASP A 56 14.812 23.368 3.900 1.00100.00 O ATOM 850 OD2 ASP A 56 15.274 24.759 2.223 1.00100.00 O1- ATOM 0 H ASP A 56 14.811 19.434 1.746 1.00100.00 H new ATOM 0 HA ASP A 56 14.127 21.159 2.822 1.00100.00 H new ATOM 0 HB2 ASP A 56 16.400 21.934 2.206 1.00100.00 H new ATOM 0 HB3 ASP A 56 15.731 22.784 0.827 1.00100.00 H new ATOM 855 N VAL A 57 12.044 21.166 0.949 1.00100.00 N ATOM 856 CA VAL A 57 10.777 21.627 0.439 1.00100.00 C ATOM 857 C VAL A 57 9.831 21.574 1.608 1.00100.00 C ATOM 858 O VAL A 57 9.125 22.539 1.901 1.00100.00 O ATOM 859 CB VAL A 57 10.227 20.761 -0.696 1.00100.00 C ATOM 860 CG1 VAL A 57 8.877 21.299 -1.169 1.00100.00 C ATOM 861 CG2 VAL A 57 11.208 20.762 -1.867 1.00100.00 C ATOM 0 H VAL A 57 12.107 20.156 1.075 1.00100.00 H new ATOM 0 HA VAL A 57 10.895 22.625 0.018 1.00100.00 H new ATOM 0 HB VAL A 57 10.096 19.744 -0.326 1.00100.00 H new ATOM 0 HG11 VAL A 57 8.498 20.673 -1.977 1.00100.00 H new ATOM 0 HG12 VAL A 57 8.170 21.288 -0.339 1.00100.00 H new ATOM 0 HG13 VAL A 57 8.998 22.321 -1.529 1.00100.00 H new ATOM 0 HG21 VAL A 57 10.813 20.144 -2.673 1.00100.00 H new ATOM 0 HG22 VAL A 57 11.346 21.782 -2.226 1.00100.00 H new ATOM 0 HG23 VAL A 57 12.167 20.360 -1.539 1.00100.00 H new ATOM 871 N PHE A 58 9.839 20.426 2.316 1.00100.00 N ATOM 872 CA PHE A 58 8.990 20.178 3.440 1.00100.00 C ATOM 873 C PHE A 58 9.205 21.006 4.657 1.00100.00 C ATOM 874 O PHE A 58 8.220 21.359 5.309 1.00100.00 O ATOM 875 CB PHE A 58 8.748 18.681 3.685 1.00100.00 C ATOM 876 CG PHE A 58 7.763 18.193 2.649 1.00100.00 C ATOM 877 CD1 PHE A 58 8.201 17.876 1.354 1.00100.00 C ATOM 878 CD2 PHE A 58 6.392 18.198 2.942 1.00100.00 C ATOM 879 CE1 PHE A 58 7.267 17.551 0.360 1.00100.00 C ATOM 880 CE2 PHE A 58 5.460 17.869 1.949 1.00100.00 C ATOM 881 CZ PHE A 58 5.898 17.545 0.658 1.00100.00 C ATOM 0 H PHE A 58 10.458 19.646 2.097 1.00100.00 H new ATOM 0 HA PHE A 58 8.029 20.583 3.123 1.00100.00 H new ATOM 0 HB2 PHE A 58 9.684 18.127 3.612 1.00100.00 H new ATOM 0 HB3 PHE A 58 8.358 18.517 4.689 1.00100.00 H new ATOM 0 HD1 PHE A 58 9.256 17.882 1.123 1.00100.00 H new ATOM 0 HD2 PHE A 58 6.054 18.456 3.935 1.00100.00 H new ATOM 0 HE1 PHE A 58 7.603 17.305 -0.636 1.00100.00 H new ATOM 0 HE2 PHE A 58 4.405 17.865 2.178 1.00100.00 H new ATOM 0 HZ PHE A 58 5.180 17.291 -0.108 1.00100.00 H new ATOM 891 N ASP A 59 10.479 21.329 5.000 1.00100.00 N ATOM 892 CA ASP A 59 10.763 22.146 6.161 1.00100.00 C ATOM 893 C ASP A 59 10.129 23.530 6.029 1.00100.00 C ATOM 894 O ASP A 59 9.449 23.923 6.979 1.00100.00 O ATOM 895 CB ASP A 59 12.284 22.247 6.478 1.00100.00 C ATOM 896 CG ASP A 59 12.897 20.858 6.587 1.00100.00 C ATOM 897 OD1 ASP A 59 12.535 20.152 7.555 1.00100.00 O ATOM 898 OD2 ASP A 59 13.704 20.521 5.695 1.00100.00 O1- ATOM 0 H ASP A 59 11.304 21.029 4.481 1.00100.00 H new ATOM 0 HA ASP A 59 10.308 21.641 7.013 1.00100.00 H new ATOM 0 HB2 ASP A 59 12.788 22.813 5.695 1.00100.00 H new ATOM 0 HB3 ASP A 59 12.432 22.791 7.411 1.00100.00 H new ATOM 903 N PRO A 60 10.264 24.298 4.889 1.00100.00 N ATOM 904 CA PRO A 60 9.606 25.583 4.753 1.00100.00 C ATOM 905 C PRO A 60 8.120 25.456 4.497 1.00100.00 C ATOM 906 O PRO A 60 7.408 26.431 4.736 1.00100.00 O ATOM 907 CB PRO A 60 10.346 26.336 3.647 1.00100.00 C ATOM 908 CG PRO A 60 10.836 25.181 2.769 1.00100.00 C ATOM 909 CD PRO A 60 11.158 24.069 3.772 1.00100.00 C ATOM 0 HA PRO A 60 9.658 26.142 5.687 1.00100.00 H new ATOM 0 HB2 PRO A 60 9.690 27.015 3.103 1.00100.00 H new ATOM 0 HB3 PRO A 60 11.170 26.933 4.037 1.00100.00 H new ATOM 0 HG2 PRO A 60 10.072 24.868 2.057 1.00100.00 H new ATOM 0 HG3 PRO A 60 11.715 25.464 2.190 1.00100.00 H new ATOM 0 HD2 PRO A 60 10.997 23.084 3.334 1.00100.00 H new ATOM 0 HD3 PRO A 60 12.201 24.111 4.086 1.00100.00 H new ATOM 917 N ASP A 61 7.658 24.275 4.010 1.00100.00 N ATOM 918 CA ASP A 61 6.293 23.916 3.695 1.00100.00 C ATOM 919 C ASP A 61 5.639 24.910 2.755 1.00100.00 C ATOM 920 O ASP A 61 4.506 25.358 2.954 1.00100.00 O ATOM 921 CB ASP A 61 5.439 23.629 4.966 1.00100.00 C ATOM 922 CG ASP A 61 4.123 22.958 4.592 1.00100.00 C ATOM 923 OD1 ASP A 61 4.196 21.849 4.018 1.00100.00 O ATOM 924 OD2 ASP A 61 3.071 23.568 4.883 1.00100.00 O1- ATOM 0 H ASP A 61 8.298 23.504 3.821 1.00100.00 H new ATOM 0 HA ASP A 61 6.340 22.972 3.152 1.00100.00 H new ATOM 0 HB2 ASP A 61 5.998 22.989 5.649 1.00100.00 H new ATOM 0 HB3 ASP A 61 5.240 24.561 5.494 1.00100.00 H new ATOM 929 N LEU A 62 6.396 25.288 1.698 1.00100.00 N ATOM 930 CA LEU A 62 5.928 26.204 0.694 1.00100.00 C ATOM 931 C LEU A 62 5.761 25.381 -0.545 1.00100.00 C ATOM 932 O LEU A 62 6.693 24.695 -0.978 1.00100.00 O ATOM 933 CB LEU A 62 6.922 27.337 0.341 1.00100.00 C ATOM 934 CG LEU A 62 7.271 28.174 1.572 1.00100.00 C ATOM 935 CD1 LEU A 62 8.303 29.230 1.178 1.00100.00 C ATOM 936 CD2 LEU A 62 6.030 28.867 2.137 1.00100.00 C ATOM 0 H LEU A 62 7.346 24.952 1.540 1.00100.00 H new ATOM 0 HA LEU A 62 5.025 26.684 1.071 1.00100.00 H new ATOM 0 HB2 LEU A 62 7.832 26.908 -0.079 1.00100.00 H new ATOM 0 HB3 LEU A 62 6.488 27.978 -0.426 1.00100.00 H new ATOM 0 HG LEU A 62 7.674 27.514 2.340 1.00100.00 H new ATOM 0 HD11 LEU A 62 8.558 29.832 2.050 1.00100.00 H new ATOM 0 HD12 LEU A 62 9.200 28.739 0.801 1.00100.00 H new ATOM 0 HD13 LEU A 62 7.888 29.873 0.402 1.00100.00 H new ATOM 0 HD21 LEU A 62 6.308 29.455 3.012 1.00100.00 H new ATOM 0 HD22 LEU A 62 5.603 29.524 1.379 1.00100.00 H new ATOM 0 HD23 LEU A 62 5.293 28.117 2.424 1.00100.00 H new ATOM 948 N ASP A 63 4.547 25.431 -1.135 1.00100.00 N ATOM 949 CA ASP A 63 4.259 24.693 -2.331 1.00100.00 C ATOM 950 C ASP A 63 4.082 25.739 -3.388 1.00100.00 C ATOM 951 O ASP A 63 3.267 26.654 -3.236 1.00100.00 O ATOM 952 CB ASP A 63 2.980 23.825 -2.198 1.00100.00 C ATOM 953 CG ASP A 63 2.781 22.955 -3.435 1.00100.00 C ATOM 954 OD1 ASP A 63 2.558 23.539 -4.518 1.00100.00 O ATOM 955 OD2 ASP A 63 2.862 21.718 -3.274 1.00100.00 O1- ATOM 0 H ASP A 63 3.765 25.983 -0.783 1.00100.00 H new ATOM 0 HA ASP A 63 5.058 23.989 -2.561 1.00100.00 H new ATOM 0 HB2 ASP A 63 3.055 23.194 -1.313 1.00100.00 H new ATOM 0 HB3 ASP A 63 2.112 24.469 -2.058 1.00100.00 H new ATOM 960 N MET A 64 4.885 25.622 -4.471 1.00100.00 N ATOM 961 CA MET A 64 4.828 26.550 -5.564 1.00100.00 C ATOM 962 C MET A 64 4.271 25.776 -6.718 1.00100.00 C ATOM 963 O MET A 64 4.926 24.905 -7.300 1.00100.00 O ATOM 964 CB MET A 64 6.212 27.123 -5.937 1.00100.00 C ATOM 965 CG MET A 64 6.816 27.844 -4.734 1.00100.00 C ATOM 966 SD MET A 64 8.467 28.514 -5.041 1.00100.00 S ATOM 967 CE MET A 64 8.789 29.201 -3.396 1.00100.00 C ATOM 0 H MET A 64 5.576 24.880 -4.587 1.00100.00 H new ATOM 0 HA MET A 64 4.216 27.410 -5.292 1.00100.00 H new ATOM 0 HB2 MET A 64 6.873 26.319 -6.260 1.00100.00 H new ATOM 0 HB3 MET A 64 6.116 27.813 -6.775 1.00100.00 H new ATOM 0 HG2 MET A 64 6.153 28.657 -4.439 1.00100.00 H new ATOM 0 HG3 MET A 64 6.865 27.151 -3.894 1.00100.00 H new ATOM 0 HE1 MET A 64 9.775 29.665 -3.382 1.00100.00 H new ATOM 0 HE2 MET A 64 8.032 29.949 -3.160 1.00100.00 H new ATOM 0 HE3 MET A 64 8.754 28.402 -2.655 1.00100.00 H new ATOM 977 N GLU A 65 3.029 26.151 -7.088 1.00100.00 N ATOM 978 CA GLU A 65 2.274 25.545 -8.150 1.00100.00 C ATOM 979 C GLU A 65 2.910 25.726 -9.489 1.00100.00 C ATOM 980 O GLU A 65 2.978 24.780 -10.271 1.00100.00 O ATOM 981 CB GLU A 65 0.834 26.081 -8.222 1.00100.00 C ATOM 982 CG GLU A 65 0.096 25.772 -6.921 1.00100.00 C ATOM 983 CD GLU A 65 -1.350 26.240 -6.997 1.00100.00 C ATOM 984 OE1 GLU A 65 -1.549 27.475 -6.982 1.00100.00 O ATOM 985 OE2 GLU A 65 -2.230 25.355 -7.071 1.00100.00 O1- ATOM 0 H GLU A 65 2.528 26.910 -6.627 1.00100.00 H new ATOM 0 HA GLU A 65 2.256 24.483 -7.906 1.00100.00 H new ATOM 0 HB2 GLU A 65 0.846 27.157 -8.396 1.00100.00 H new ATOM 0 HB3 GLU A 65 0.310 25.628 -9.063 1.00100.00 H new ATOM 0 HG2 GLU A 65 0.126 24.700 -6.726 1.00100.00 H new ATOM 0 HG3 GLU A 65 0.598 26.262 -6.087 1.00100.00 H new ATOM 992 N VAL A 66 3.427 26.949 -9.743 1.00100.00 N ATOM 993 CA VAL A 66 4.060 27.337 -10.979 1.00100.00 C ATOM 994 C VAL A 66 5.281 26.488 -11.232 1.00100.00 C ATOM 995 O VAL A 66 5.455 26.004 -12.353 1.00100.00 O ATOM 996 CB VAL A 66 4.419 28.824 -10.961 1.00100.00 C ATOM 997 CG1 VAL A 66 5.090 29.218 -12.276 1.00100.00 C ATOM 998 CG2 VAL A 66 3.156 29.664 -10.774 1.00100.00 C ATOM 0 H VAL A 66 3.404 27.703 -9.057 1.00100.00 H new ATOM 0 HA VAL A 66 3.356 27.174 -11.795 1.00100.00 H new ATOM 0 HB VAL A 66 5.105 29.005 -10.134 1.00100.00 H new ATOM 0 HG11 VAL A 66 5.341 30.278 -12.253 1.00100.00 H new ATOM 0 HG12 VAL A 66 5.999 28.632 -12.410 1.00100.00 H new ATOM 0 HG13 VAL A 66 4.408 29.025 -13.104 1.00100.00 H new ATOM 0 HG21 VAL A 66 3.421 30.721 -10.762 1.00100.00 H new ATOM 0 HG22 VAL A 66 2.466 29.472 -11.596 1.00100.00 H new ATOM 0 HG23 VAL A 66 2.679 29.399 -9.830 1.00100.00 H new ATOM 1008 N VAL A 67 6.118 26.265 -10.186 1.00100.00 N ATOM 1009 CA VAL A 67 7.324 25.487 -10.314 1.00100.00 C ATOM 1010 C VAL A 67 7.015 24.064 -10.702 1.00100.00 C ATOM 1011 O VAL A 67 7.611 23.585 -11.669 1.00100.00 O ATOM 1012 CB VAL A 67 8.173 25.540 -9.046 1.00100.00 C ATOM 1013 CG1 VAL A 67 9.423 24.670 -9.193 1.00100.00 C ATOM 1014 CG2 VAL A 67 8.590 26.981 -8.752 1.00100.00 C ATOM 0 H VAL A 67 5.955 26.628 -9.247 1.00100.00 H new ATOM 0 HA VAL A 67 7.912 25.934 -11.115 1.00100.00 H new ATOM 0 HB VAL A 67 7.573 25.158 -8.220 1.00100.00 H new ATOM 0 HG11 VAL A 67 10.013 24.723 -8.278 1.00100.00 H new ATOM 0 HG12 VAL A 67 9.128 23.637 -9.375 1.00100.00 H new ATOM 0 HG13 VAL A 67 10.020 25.030 -10.031 1.00100.00 H new ATOM 0 HG21 VAL A 67 9.195 27.007 -7.846 1.00100.00 H new ATOM 0 HG22 VAL A 67 9.172 27.369 -9.588 1.00100.00 H new ATOM 0 HG23 VAL A 67 7.701 27.596 -8.612 1.00100.00 H new ATOM 1024 N PHE A 68 6.053 23.391 -10.012 1.00100.00 N ATOM 1025 CA PHE A 68 5.747 22.022 -10.349 1.00100.00 C ATOM 1026 C PHE A 68 5.084 21.852 -11.684 1.00100.00 C ATOM 1027 O PHE A 68 5.411 20.914 -12.416 1.00100.00 O ATOM 1028 CB PHE A 68 5.087 21.152 -9.241 1.00100.00 C ATOM 1029 CG PHE A 68 3.591 21.231 -9.069 1.00100.00 C ATOM 1030 CD1 PHE A 68 2.761 20.377 -9.806 1.00100.00 C ATOM 1031 CD2 PHE A 68 3.040 22.071 -8.092 1.00100.00 C ATOM 1032 CE1 PHE A 68 1.380 20.369 -9.578 1.00100.00 C ATOM 1033 CE2 PHE A 68 1.657 22.064 -7.862 1.00100.00 C ATOM 1034 CZ PHE A 68 0.827 21.215 -8.607 1.00100.00 C ATOM 0 H PHE A 68 5.505 23.782 -9.246 1.00100.00 H new ATOM 0 HA PHE A 68 6.748 21.599 -10.435 1.00100.00 H new ATOM 0 HB2 PHE A 68 5.345 20.111 -9.437 1.00100.00 H new ATOM 0 HB3 PHE A 68 5.546 21.420 -8.290 1.00100.00 H new ATOM 0 HD1 PHE A 68 3.188 19.723 -10.552 1.00100.00 H new ATOM 0 HD2 PHE A 68 3.680 22.723 -7.517 1.00100.00 H new ATOM 0 HE1 PHE A 68 0.741 19.712 -10.150 1.00100.00 H new ATOM 0 HE2 PHE A 68 1.231 22.713 -7.111 1.00100.00 H new ATOM 0 HZ PHE A 68 -0.239 21.213 -8.433 1.00100.00 H new ATOM 1044 N GLU A 69 4.179 22.789 -12.046 1.00100.00 N ATOM 1045 CA GLU A 69 3.455 22.695 -13.282 1.00100.00 C ATOM 1046 C GLU A 69 4.234 23.168 -14.474 1.00100.00 C ATOM 1047 O GLU A 69 4.130 24.305 -14.930 1.00100.00 O ATOM 1048 CB GLU A 69 2.076 23.394 -13.261 1.00100.00 C ATOM 1049 CG GLU A 69 1.164 22.791 -12.193 1.00100.00 C ATOM 1050 CD GLU A 69 -0.174 23.521 -12.120 1.00100.00 C ATOM 1051 OE1 GLU A 69 -0.239 24.661 -12.630 1.00100.00 O1- ATOM 1052 OE2 GLU A 69 -1.110 22.925 -11.545 1.00100.00 O ATOM 0 H GLU A 69 3.950 23.609 -11.484 1.00100.00 H new ATOM 0 HA GLU A 69 3.286 21.623 -13.385 1.00100.00 H new ATOM 0 HB2 GLU A 69 2.209 24.459 -13.070 1.00100.00 H new ATOM 0 HB3 GLU A 69 1.604 23.302 -14.239 1.00100.00 H new ATOM 0 HG2 GLU A 69 0.993 21.737 -12.413 1.00100.00 H new ATOM 0 HG3 GLU A 69 1.658 22.838 -11.223 1.00100.00 H new