USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 780 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 21 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 30 MET CE :methyl 177:sc= -0.0983 (180deg=-0.105) USER MOD Set 2.1: A 28 SER OG : rot -105:sc= 0.49 USER MOD Set 2.2: A 85 ASN : amide:sc= -11.1! C(o=-11!,f=-7.1!) USER MOD Single : A 5 GLN : amide:sc= -5.25! C(o=-5.2!,f=-11!) USER MOD Single : A 7 SER OG : rot -48:sc= 0.563 USER MOD Single : A 8 LYS NZ :NH3+ -101:sc=-0.00213 (180deg=-1.73!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0556) USER MOD Single : A 23 SER OG : rot 103:sc= 0.0426 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0298 USER MOD Single : A 39 THR OG1 : rot 9:sc= 0.314 USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.0303 (180deg=-0.296) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 162:sc=0.000974 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0485 USER MOD Single : A 52 MET CE :methyl 144:sc= -1.56 (180deg=-5.48!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 170:sc= 0.052 USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0761) USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= 0.0704 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -1.45! K(o=-1.4!,f=-0.055) USER MOD Single : A 76 THR OG1 : rot 2:sc= 1.04 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 25:sc= 0.641 USER MOD Single : A 87 GLN : amide:sc= -0.205 K(o=-0.2,f=-2.7!) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl -166:sc= -0.103 (180deg=-0.318) USER MOD Single : A 100 TYR OH : rot -120:sc= -0.507 USER MOD Single : A 104 ASN : amide:sc=-0.00214 K(o=-0.0021,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 9.693 3.148 8.670 1.00 0.00 N ATOM 21 CA ALA A 2 8.822 2.532 7.629 1.00 0.00 C ATOM 22 C ALA A 2 8.373 3.587 6.620 1.00 0.00 C ATOM 23 O ALA A 2 8.037 4.699 6.972 1.00 0.00 O ATOM 24 CB ALA A 2 7.595 1.913 8.301 1.00 0.00 C ATOM 0 HA ALA A 2 9.386 1.761 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.955 1.461 7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.915 1.148 9.009 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.040 2.688 8.830 1.00 0.00 H new ATOM 30 N GLU A 3 8.358 3.239 5.364 1.00 0.00 N ATOM 31 CA GLU A 3 7.924 4.212 4.324 1.00 0.00 C ATOM 32 C GLU A 3 7.421 3.448 3.101 1.00 0.00 C ATOM 33 O GLU A 3 7.884 2.366 2.801 1.00 0.00 O ATOM 34 CB GLU A 3 9.105 5.101 3.929 1.00 0.00 C ATOM 35 CG GLU A 3 10.258 4.236 3.414 1.00 0.00 C ATOM 36 CD GLU A 3 11.445 5.136 3.066 1.00 0.00 C ATOM 37 OE1 GLU A 3 11.274 6.344 3.091 1.00 0.00 O ATOM 38 OE2 GLU A 3 12.507 4.604 2.790 1.00 0.00 O ATOM 0 H GLU A 3 8.628 2.321 5.012 1.00 0.00 H new ATOM 0 HA GLU A 3 7.123 4.837 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.797 5.808 3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.434 5.687 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.548 3.507 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.942 3.674 2.535 1.00 0.00 H new ATOM 45 N ILE A 4 6.473 4.006 2.394 1.00 0.00 N ATOM 46 CA ILE A 4 5.926 3.325 1.180 1.00 0.00 C ATOM 47 C ILE A 4 6.394 4.072 -0.067 1.00 0.00 C ATOM 48 O ILE A 4 6.252 5.274 -0.172 1.00 0.00 O ATOM 49 CB ILE A 4 4.399 3.337 1.244 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.952 2.571 2.494 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.830 2.664 -0.009 1.00 0.00 C ATOM 52 CD1 ILE A 4 2.449 2.759 2.713 1.00 0.00 C ATOM 0 H ILE A 4 6.051 4.910 2.606 1.00 0.00 H new ATOM 0 HA ILE A 4 6.280 2.295 1.140 1.00 0.00 H new ATOM 0 HB ILE A 4 4.035 4.363 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.182 1.511 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.502 2.927 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.741 2.672 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.161 3.206 -0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.183 1.634 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.140 2.211 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.230 3.819 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.905 2.381 1.847 1.00 0.00 H new ATOM 64 N GLN A 5 6.962 3.371 -1.014 1.00 0.00 N ATOM 65 CA GLN A 5 7.450 4.047 -2.253 1.00 0.00 C ATOM 66 C GLN A 5 7.280 3.110 -3.451 1.00 0.00 C ATOM 67 O GLN A 5 7.247 1.904 -3.311 1.00 0.00 O ATOM 68 CB GLN A 5 8.936 4.407 -2.087 1.00 0.00 C ATOM 69 CG GLN A 5 9.646 3.316 -1.282 1.00 0.00 C ATOM 70 CD GLN A 5 11.137 3.643 -1.196 1.00 0.00 C ATOM 71 OE1 GLN A 5 11.698 4.210 -2.111 1.00 0.00 O ATOM 72 NE2 GLN A 5 11.804 3.313 -0.125 1.00 0.00 N ATOM 0 H GLN A 5 7.109 2.362 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 5 6.872 4.956 -2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.405 4.514 -3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.033 5.367 -1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.218 3.249 -0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.501 2.345 -1.756 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.332 2.837 0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.798 3.531 -0.056 1.00 0.00 H new ATOM 81 N PHE A 6 7.173 3.669 -4.631 1.00 0.00 N ATOM 82 CA PHE A 6 7.007 2.842 -5.865 1.00 0.00 C ATOM 83 C PHE A 6 8.278 2.949 -6.714 1.00 0.00 C ATOM 84 O PHE A 6 8.709 1.994 -7.331 1.00 0.00 O ATOM 85 CB PHE A 6 5.820 3.378 -6.664 1.00 0.00 C ATOM 86 CG PHE A 6 4.568 3.296 -5.824 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.791 2.132 -5.834 1.00 0.00 C ATOM 88 CD2 PHE A 6 4.186 4.386 -5.033 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.632 2.058 -5.053 1.00 0.00 C ATOM 90 CE2 PHE A 6 3.027 4.311 -4.251 1.00 0.00 C ATOM 91 CZ PHE A 6 2.251 3.149 -4.262 1.00 0.00 C ATOM 0 H PHE A 6 7.194 4.676 -4.793 1.00 0.00 H new ATOM 0 HA PHE A 6 6.832 1.800 -5.596 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.004 4.411 -6.961 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.694 2.801 -7.580 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.086 1.291 -6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.785 5.285 -5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.032 1.160 -5.060 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.733 5.151 -3.639 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.356 3.092 -3.660 1.00 0.00 H new ATOM 101 N SER A 7 8.878 4.110 -6.756 1.00 0.00 N ATOM 102 CA SER A 7 10.118 4.292 -7.569 1.00 0.00 C ATOM 103 C SER A 7 11.346 3.995 -6.698 1.00 0.00 C ATOM 104 O SER A 7 12.439 4.450 -6.971 1.00 0.00 O ATOM 105 CB SER A 7 10.180 5.733 -8.081 1.00 0.00 C ATOM 106 OG SER A 7 11.248 5.857 -9.012 1.00 0.00 O ATOM 0 H SER A 7 8.562 4.943 -6.260 1.00 0.00 H new ATOM 0 HA SER A 7 10.106 3.608 -8.418 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.236 6.003 -8.555 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.327 6.421 -7.248 1.00 0.00 H new ATOM 0 HG SER A 7 12.057 5.449 -8.638 1.00 0.00 H new ATOM 112 N LYS A 8 11.169 3.233 -5.652 1.00 0.00 N ATOM 113 CA LYS A 8 12.316 2.900 -4.756 1.00 0.00 C ATOM 114 C LYS A 8 13.045 4.186 -4.352 1.00 0.00 C ATOM 115 O LYS A 8 14.245 4.202 -4.164 1.00 0.00 O ATOM 116 CB LYS A 8 13.279 1.955 -5.484 1.00 0.00 C ATOM 117 CG LYS A 8 12.609 0.588 -5.662 1.00 0.00 C ATOM 118 CD LYS A 8 13.550 -0.354 -6.418 1.00 0.00 C ATOM 119 CE LYS A 8 12.862 -1.707 -6.632 1.00 0.00 C ATOM 120 NZ LYS A 8 12.698 -2.398 -5.321 1.00 0.00 N ATOM 0 H LYS A 8 10.275 2.825 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 8 11.944 2.407 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.549 2.370 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.202 1.849 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.360 0.165 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.673 0.700 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.823 0.082 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.474 -0.490 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.889 -1.561 -7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.454 -2.324 -7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.437 -3.122 -5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.780 -1.704 -4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.762 -2.850 -5.282 1.00 0.00 H new ATOM 134 N GLY A 9 12.318 5.259 -4.205 1.00 0.00 N ATOM 135 CA GLY A 9 12.945 6.552 -3.804 1.00 0.00 C ATOM 136 C GLY A 9 12.035 7.702 -4.239 1.00 0.00 C ATOM 137 O GLY A 9 12.489 8.723 -4.718 1.00 0.00 O ATOM 0 H GLY A 9 11.309 5.297 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.096 6.579 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.927 6.654 -4.266 1.00 0.00 H new ATOM 141 N VAL A 10 10.750 7.538 -4.078 1.00 0.00 N ATOM 142 CA VAL A 10 9.798 8.613 -4.482 1.00 0.00 C ATOM 143 C VAL A 10 10.137 9.911 -3.750 1.00 0.00 C ATOM 144 O VAL A 10 10.863 10.746 -4.250 1.00 0.00 O ATOM 145 CB VAL A 10 8.374 8.193 -4.113 1.00 0.00 C ATOM 146 CG1 VAL A 10 7.394 9.322 -4.443 1.00 0.00 C ATOM 147 CG2 VAL A 10 7.992 6.943 -4.904 1.00 0.00 C ATOM 0 H VAL A 10 10.317 6.703 -3.683 1.00 0.00 H new ATOM 0 HA VAL A 10 9.875 8.771 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 10 8.329 7.981 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.382 9.015 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.663 10.214 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.438 9.542 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.978 6.643 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.043 7.158 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.683 6.135 -4.664 1.00 0.00 H new ATOM 157 N ALA A 11 9.605 10.086 -2.568 1.00 0.00 N ATOM 158 CA ALA A 11 9.878 11.333 -1.801 1.00 0.00 C ATOM 159 C ALA A 11 9.122 11.289 -0.468 1.00 0.00 C ATOM 160 O ALA A 11 9.497 10.592 0.455 1.00 0.00 O ATOM 161 CB ALA A 11 9.405 12.545 -2.615 1.00 0.00 C ATOM 0 H ALA A 11 8.993 9.417 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 11 10.948 11.416 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.604 13.459 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.940 12.577 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.335 12.461 -2.804 1.00 0.00 H new ATOM 167 N GLU A 12 8.067 12.045 -0.364 1.00 0.00 N ATOM 168 CA GLU A 12 7.277 12.083 0.900 1.00 0.00 C ATOM 169 C GLU A 12 6.715 10.695 1.223 1.00 0.00 C ATOM 170 O GLU A 12 6.377 9.926 0.345 1.00 0.00 O ATOM 171 CB GLU A 12 6.127 13.081 0.740 1.00 0.00 C ATOM 172 CG GLU A 12 6.704 14.495 0.639 1.00 0.00 C ATOM 173 CD GLU A 12 5.577 15.498 0.391 1.00 0.00 C ATOM 174 OE1 GLU A 12 4.437 15.070 0.293 1.00 0.00 O ATOM 175 OE2 GLU A 12 5.871 16.679 0.301 1.00 0.00 O ATOM 0 H GLU A 12 7.713 12.646 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 12 7.927 12.392 1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.547 12.847 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.447 13.012 1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.233 14.748 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.431 14.544 -0.171 1.00 0.00 H new ATOM 182 N THR A 13 6.610 10.376 2.485 1.00 0.00 N ATOM 183 CA THR A 13 6.067 9.047 2.888 1.00 0.00 C ATOM 184 C THR A 13 4.542 9.057 2.715 1.00 0.00 C ATOM 185 O THR A 13 3.892 8.034 2.777 1.00 0.00 O ATOM 186 CB THR A 13 6.428 8.791 4.356 1.00 0.00 C ATOM 187 OG1 THR A 13 7.837 8.659 4.478 1.00 0.00 O ATOM 188 CG2 THR A 13 5.753 7.508 4.843 1.00 0.00 C ATOM 0 H THR A 13 6.879 10.983 3.259 1.00 0.00 H new ATOM 0 HA THR A 13 6.492 8.258 2.268 1.00 0.00 H new ATOM 0 HB THR A 13 6.083 9.629 4.962 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.070 8.497 5.416 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.014 7.333 5.887 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.672 7.609 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.091 6.667 4.238 1.00 0.00 H new ATOM 196 N VAL A 14 3.982 10.216 2.486 1.00 0.00 N ATOM 197 CA VAL A 14 2.503 10.339 2.292 1.00 0.00 C ATOM 198 C VAL A 14 1.748 9.691 3.457 1.00 0.00 C ATOM 199 O VAL A 14 2.304 8.940 4.235 1.00 0.00 O ATOM 200 CB VAL A 14 2.095 9.661 0.981 1.00 0.00 C ATOM 201 CG1 VAL A 14 0.584 9.833 0.760 1.00 0.00 C ATOM 202 CG2 VAL A 14 2.856 10.306 -0.182 1.00 0.00 C ATOM 0 H VAL A 14 4.493 11.097 2.424 1.00 0.00 H new ATOM 0 HA VAL A 14 2.247 11.398 2.254 1.00 0.00 H new ATOM 0 HB VAL A 14 2.335 8.599 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.295 9.350 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.041 9.377 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.342 10.895 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.568 9.825 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.615 11.368 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.928 10.184 -0.027 1.00 0.00 H new ATOM 212 N VAL A 15 0.475 9.983 3.576 1.00 0.00 N ATOM 213 CA VAL A 15 -0.357 9.401 4.679 1.00 0.00 C ATOM 214 C VAL A 15 -1.562 8.672 4.072 1.00 0.00 C ATOM 215 O VAL A 15 -2.673 9.164 4.106 1.00 0.00 O ATOM 216 CB VAL A 15 -0.839 10.530 5.602 1.00 0.00 C ATOM 217 CG1 VAL A 15 0.313 10.962 6.511 1.00 0.00 C ATOM 218 CG2 VAL A 15 -1.300 11.732 4.771 1.00 0.00 C ATOM 0 H VAL A 15 -0.030 10.608 2.948 1.00 0.00 H new ATOM 0 HA VAL A 15 0.237 8.694 5.258 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.675 10.168 6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.023 11.764 7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.641 10.113 7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.144 11.317 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.639 12.526 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.470 12.096 4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.119 11.430 4.119 1.00 0.00 H new ATOM 228 N PRO A 16 -1.342 7.506 3.508 1.00 0.00 N ATOM 229 CA PRO A 16 -2.427 6.704 2.874 1.00 0.00 C ATOM 230 C PRO A 16 -3.317 6.006 3.906 1.00 0.00 C ATOM 231 O PRO A 16 -2.891 5.692 5.001 1.00 0.00 O ATOM 232 CB PRO A 16 -1.665 5.695 2.005 1.00 0.00 C ATOM 233 CG PRO A 16 -0.358 5.493 2.702 1.00 0.00 C ATOM 234 CD PRO A 16 -0.038 6.814 3.419 1.00 0.00 C ATOM 0 HA PRO A 16 -3.118 7.322 2.301 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.214 4.757 1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.519 6.076 0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.421 4.670 3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.427 5.238 1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.387 6.638 4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.688 7.404 2.860 1.00 0.00 H new ATOM 242 N GLU A 17 -4.552 5.766 3.565 1.00 0.00 N ATOM 243 CA GLU A 17 -5.474 5.095 4.524 1.00 0.00 C ATOM 244 C GLU A 17 -5.264 3.584 4.461 1.00 0.00 C ATOM 245 O GLU A 17 -4.863 3.045 3.448 1.00 0.00 O ATOM 246 CB GLU A 17 -6.920 5.426 4.153 1.00 0.00 C ATOM 247 CG GLU A 17 -7.870 4.807 5.181 1.00 0.00 C ATOM 248 CD GLU A 17 -9.312 5.176 4.831 1.00 0.00 C ATOM 249 OE1 GLU A 17 -9.674 5.037 3.675 1.00 0.00 O ATOM 250 OE2 GLU A 17 -10.029 5.591 5.726 1.00 0.00 O ATOM 0 H GLU A 17 -4.963 6.006 2.663 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.268 5.447 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.059 6.507 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.147 5.044 3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.754 3.723 5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.624 5.165 6.181 1.00 0.00 H new ATOM 257 N VAL A 18 -5.537 2.895 5.541 1.00 0.00 N ATOM 258 CA VAL A 18 -5.362 1.409 5.569 1.00 0.00 C ATOM 259 C VAL A 18 -6.729 0.749 5.739 1.00 0.00 C ATOM 260 O VAL A 18 -7.502 1.111 6.603 1.00 0.00 O ATOM 261 CB VAL A 18 -4.461 1.035 6.749 1.00 0.00 C ATOM 262 CG1 VAL A 18 -4.476 -0.483 6.957 1.00 0.00 C ATOM 263 CG2 VAL A 18 -3.032 1.498 6.457 1.00 0.00 C ATOM 0 H VAL A 18 -5.877 3.302 6.412 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.906 1.068 4.639 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.828 1.521 7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.833 -0.741 7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.494 -0.812 7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.112 -0.977 6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.386 1.234 7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.670 1.011 5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.021 2.579 6.317 1.00 0.00 H new ATOM 273 N ARG A 19 -7.027 -0.220 4.915 1.00 0.00 N ATOM 274 CA ARG A 19 -8.338 -0.928 5.005 1.00 0.00 C ATOM 275 C ARG A 19 -8.089 -2.435 4.962 1.00 0.00 C ATOM 276 O ARG A 19 -7.237 -2.909 4.239 1.00 0.00 O ATOM 277 CB ARG A 19 -9.215 -0.515 3.822 1.00 0.00 C ATOM 278 CG ARG A 19 -9.589 0.963 3.967 1.00 0.00 C ATOM 279 CD ARG A 19 -10.443 1.398 2.775 1.00 0.00 C ATOM 280 NE ARG A 19 -9.603 1.408 1.542 1.00 0.00 N ATOM 281 CZ ARG A 19 -10.128 1.730 0.391 1.00 0.00 C ATOM 282 NH1 ARG A 19 -11.394 2.039 0.310 1.00 0.00 N ATOM 283 NH2 ARG A 19 -9.385 1.741 -0.682 1.00 0.00 N ATOM 0 H ARG A 19 -6.411 -0.555 4.175 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.843 -0.667 5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.683 -0.678 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.115 -1.129 3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.137 1.120 4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.687 1.573 4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.285 0.718 2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.858 2.390 2.954 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.615 1.162 1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.976 2.029 1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.801 2.290 -0.591 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.396 1.498 -0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.793 1.992 -1.582 1.00 0.00 H new ATOM 297 N LEU A 20 -8.824 -3.189 5.737 1.00 0.00 N ATOM 298 CA LEU A 20 -8.636 -4.673 5.758 1.00 0.00 C ATOM 299 C LEU A 20 -9.832 -5.339 5.089 1.00 0.00 C ATOM 300 O LEU A 20 -10.969 -5.042 5.392 1.00 0.00 O ATOM 301 CB LEU A 20 -8.543 -5.143 7.210 1.00 0.00 C ATOM 302 CG LEU A 20 -7.424 -4.380 7.925 1.00 0.00 C ATOM 303 CD1 LEU A 20 -7.340 -4.848 9.380 1.00 0.00 C ATOM 304 CD2 LEU A 20 -6.079 -4.632 7.219 1.00 0.00 C ATOM 0 H LEU A 20 -9.551 -2.840 6.361 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.723 -4.939 5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.493 -4.977 7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.346 -6.215 7.244 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.642 -3.312 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.544 -4.306 9.891 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.289 -4.655 9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.127 -5.917 9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.289 -4.085 7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.853 -5.698 7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.141 -4.291 6.186 1.00 0.00 H new ATOM 316 N SER A 21 -9.578 -6.239 4.172 1.00 0.00 N ATOM 317 CA SER A 21 -10.690 -6.941 3.463 1.00 0.00 C ATOM 318 C SER A 21 -10.475 -8.444 3.574 1.00 0.00 C ATOM 319 O SER A 21 -9.388 -8.942 3.358 1.00 0.00 O ATOM 320 CB SER A 21 -10.682 -6.536 1.991 1.00 0.00 C ATOM 321 OG SER A 21 -11.608 -7.345 1.278 1.00 0.00 O ATOM 0 H SER A 21 -8.641 -6.519 3.883 1.00 0.00 H new ATOM 0 HA SER A 21 -11.646 -6.670 3.910 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.947 -5.484 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.682 -6.654 1.574 1.00 0.00 H new ATOM 0 HG SER A 21 -11.607 -7.087 0.333 1.00 0.00 H new ATOM 327 N LYS A 22 -11.509 -9.173 3.916 1.00 0.00 N ATOM 328 CA LYS A 22 -11.383 -10.658 4.053 1.00 0.00 C ATOM 329 C LYS A 22 -12.468 -11.335 3.213 1.00 0.00 C ATOM 330 O LYS A 22 -13.614 -10.931 3.207 1.00 0.00 O ATOM 331 CB LYS A 22 -11.541 -11.041 5.535 1.00 0.00 C ATOM 332 CG LYS A 22 -10.824 -12.368 5.808 1.00 0.00 C ATOM 333 CD LYS A 22 -10.859 -12.674 7.305 1.00 0.00 C ATOM 334 CE LYS A 22 -10.152 -14.007 7.562 1.00 0.00 C ATOM 335 NZ LYS A 22 -8.678 -13.801 7.491 1.00 0.00 N ATOM 0 H LYS A 22 -12.440 -8.802 4.107 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.405 -10.986 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.127 -10.257 6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.598 -11.130 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.304 -13.173 5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.792 -12.313 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.370 -11.876 7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.890 -12.722 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.430 -14.397 8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.464 -14.746 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.191 -14.656 7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.401 -13.611 6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.411 -12.992 8.088 1.00 0.00 H new ATOM 349 N SER A 23 -12.103 -12.360 2.497 1.00 0.00 N ATOM 350 CA SER A 23 -13.089 -13.075 1.638 1.00 0.00 C ATOM 351 C SER A 23 -14.212 -13.675 2.495 1.00 0.00 C ATOM 352 O SER A 23 -14.816 -13.004 3.307 1.00 0.00 O ATOM 353 CB SER A 23 -12.364 -14.195 0.896 1.00 0.00 C ATOM 354 OG SER A 23 -11.340 -13.631 0.087 1.00 0.00 O ATOM 0 H SER A 23 -11.156 -12.737 2.469 1.00 0.00 H new ATOM 0 HA SER A 23 -13.530 -12.372 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.935 -14.901 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.067 -14.753 0.278 1.00 0.00 H new ATOM 0 HG SER A 23 -10.471 -13.761 0.521 1.00 0.00 H new ATOM 420 N SER A 28 -8.663 -16.878 1.566 1.00 0.00 N ATOM 421 CA SER A 28 -7.387 -16.102 1.448 1.00 0.00 C ATOM 422 C SER A 28 -7.587 -14.683 1.987 1.00 0.00 C ATOM 423 O SER A 28 -8.415 -13.933 1.510 1.00 0.00 O ATOM 424 CB SER A 28 -6.985 -16.048 -0.024 1.00 0.00 C ATOM 425 OG SER A 28 -6.467 -17.315 -0.409 1.00 0.00 O ATOM 0 HA SER A 28 -6.603 -16.586 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.846 -15.790 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.236 -15.271 -0.182 1.00 0.00 H new ATOM 0 HG SER A 28 -5.492 -17.259 -0.488 1.00 0.00 H new ATOM 431 N GLY A 29 -6.830 -14.319 2.986 1.00 0.00 N ATOM 432 CA GLY A 29 -6.962 -12.959 3.583 1.00 0.00 C ATOM 433 C GLY A 29 -6.234 -11.928 2.715 1.00 0.00 C ATOM 434 O GLY A 29 -5.275 -12.237 2.039 1.00 0.00 O ATOM 0 H GLY A 29 -6.120 -14.910 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.015 -12.693 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.547 -12.954 4.591 1.00 0.00 H new ATOM 438 N MET A 30 -6.681 -10.701 2.736 1.00 0.00 N ATOM 439 CA MET A 30 -6.013 -9.645 1.920 1.00 0.00 C ATOM 440 C MET A 30 -6.245 -8.277 2.571 1.00 0.00 C ATOM 441 O MET A 30 -7.059 -8.129 3.461 1.00 0.00 O ATOM 442 CB MET A 30 -6.581 -9.645 0.491 1.00 0.00 C ATOM 443 CG MET A 30 -8.070 -10.008 0.511 1.00 0.00 C ATOM 444 SD MET A 30 -8.711 -10.015 -1.183 1.00 0.00 S ATOM 445 CE MET A 30 -9.011 -8.236 -1.337 1.00 0.00 C ATOM 0 H MET A 30 -7.481 -10.384 3.284 1.00 0.00 H new ATOM 0 HA MET A 30 -4.943 -9.849 1.873 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.445 -8.663 0.038 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.034 -10.358 -0.125 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.211 -10.987 0.969 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.622 -9.290 1.118 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.365 -8.012 -2.343 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.764 -7.930 -0.611 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.085 -7.693 -1.149 1.00 0.00 H new ATOM 455 N ALA A 31 -5.531 -7.276 2.125 1.00 0.00 N ATOM 456 CA ALA A 31 -5.698 -5.907 2.703 1.00 0.00 C ATOM 457 C ALA A 31 -5.641 -4.879 1.574 1.00 0.00 C ATOM 458 O ALA A 31 -4.922 -5.044 0.609 1.00 0.00 O ATOM 459 CB ALA A 31 -4.565 -5.638 3.693 1.00 0.00 C ATOM 0 H ALA A 31 -4.836 -7.347 1.382 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.656 -5.835 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.682 -4.641 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.597 -6.379 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.607 -5.702 3.176 1.00 0.00 H new ATOM 465 N LYS A 32 -6.401 -3.821 1.687 1.00 0.00 N ATOM 466 CA LYS A 32 -6.415 -2.769 0.623 1.00 0.00 C ATOM 467 C LYS A 32 -5.795 -1.483 1.165 1.00 0.00 C ATOM 468 O LYS A 32 -5.978 -1.129 2.312 1.00 0.00 O ATOM 469 CB LYS A 32 -7.861 -2.497 0.220 1.00 0.00 C ATOM 470 CG LYS A 32 -8.439 -3.746 -0.445 1.00 0.00 C ATOM 471 CD LYS A 32 -9.931 -3.545 -0.730 1.00 0.00 C ATOM 472 CE LYS A 32 -10.123 -2.473 -1.807 1.00 0.00 C ATOM 473 NZ LYS A 32 -11.493 -2.585 -2.381 1.00 0.00 N ATOM 0 H LYS A 32 -7.019 -3.638 2.478 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.842 -3.110 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.452 -2.230 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.907 -1.651 -0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.907 -3.952 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.297 -4.611 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.376 -4.484 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.447 -3.250 0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.977 -1.482 -1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.377 -2.594 -2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.624 -1.857 -3.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.616 -3.527 -2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.197 -2.449 -1.628 1.00 0.00 H new ATOM 487 N PHE A 33 -5.068 -0.774 0.337 1.00 0.00 N ATOM 488 CA PHE A 33 -4.428 0.505 0.774 1.00 0.00 C ATOM 489 C PHE A 33 -4.847 1.610 -0.195 1.00 0.00 C ATOM 490 O PHE A 33 -4.781 1.443 -1.397 1.00 0.00 O ATOM 491 CB PHE A 33 -2.910 0.346 0.728 1.00 0.00 C ATOM 492 CG PHE A 33 -2.512 -0.897 1.484 1.00 0.00 C ATOM 493 CD1 PHE A 33 -2.545 -2.142 0.845 1.00 0.00 C ATOM 494 CD2 PHE A 33 -2.115 -0.807 2.823 1.00 0.00 C ATOM 495 CE1 PHE A 33 -2.180 -3.297 1.543 1.00 0.00 C ATOM 496 CE2 PHE A 33 -1.749 -1.963 3.522 1.00 0.00 C ATOM 497 CZ PHE A 33 -1.782 -3.209 2.881 1.00 0.00 C ATOM 0 H PHE A 33 -4.889 -1.030 -0.634 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.738 0.756 1.789 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.572 0.280 -0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.429 1.221 1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.853 -2.210 -0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.091 0.153 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.205 -4.257 1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.441 -1.895 4.555 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.500 -4.101 3.420 1.00 0.00 H new ATOM 507 N TYR A 34 -5.281 2.736 0.315 1.00 0.00 N ATOM 508 CA TYR A 34 -5.711 3.858 -0.575 1.00 0.00 C ATOM 509 C TYR A 34 -4.645 4.952 -0.567 1.00 0.00 C ATOM 510 O TYR A 34 -4.252 5.441 0.475 1.00 0.00 O ATOM 511 CB TYR A 34 -7.030 4.437 -0.065 1.00 0.00 C ATOM 512 CG TYR A 34 -7.595 5.372 -1.104 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.372 4.865 -2.149 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.332 6.744 -1.027 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.891 5.729 -3.120 1.00 0.00 C ATOM 516 CE2 TYR A 34 -7.851 7.610 -1.997 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.629 7.102 -3.044 1.00 0.00 C ATOM 518 OH TYR A 34 -9.140 7.954 -4.001 1.00 0.00 O ATOM 0 H TYR A 34 -5.356 2.927 1.314 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.844 3.483 -1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.737 3.634 0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.869 4.970 0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.572 3.805 -2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.729 7.135 -0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.493 5.337 -3.927 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.651 8.670 -1.937 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.866 8.873 -3.801 1.00 0.00 H new ATOM 528 N PHE A 35 -4.179 5.341 -1.727 1.00 0.00 N ATOM 529 CA PHE A 35 -3.137 6.409 -1.814 1.00 0.00 C ATOM 530 C PHE A 35 -3.759 7.671 -2.394 1.00 0.00 C ATOM 531 O PHE A 35 -4.201 7.688 -3.524 1.00 0.00 O ATOM 532 CB PHE A 35 -2.014 5.931 -2.732 1.00 0.00 C ATOM 533 CG PHE A 35 -1.312 4.766 -2.085 1.00 0.00 C ATOM 534 CD1 PHE A 35 -0.263 4.994 -1.189 1.00 0.00 C ATOM 535 CD2 PHE A 35 -1.714 3.457 -2.378 1.00 0.00 C ATOM 536 CE1 PHE A 35 0.386 3.914 -0.583 1.00 0.00 C ATOM 537 CE2 PHE A 35 -1.063 2.376 -1.772 1.00 0.00 C ATOM 538 CZ PHE A 35 -0.012 2.603 -0.875 1.00 0.00 C ATOM 0 H PHE A 35 -4.479 4.961 -2.625 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.739 6.622 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.419 5.636 -3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.308 6.741 -2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.046 6.004 -0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.524 3.282 -3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.195 4.091 0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.372 1.366 -1.997 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.491 1.769 -0.409 1.00 0.00 H new ATOM 548 N LEU A 36 -3.801 8.731 -1.627 1.00 0.00 N ATOM 549 CA LEU A 36 -4.399 10.002 -2.135 1.00 0.00 C ATOM 550 C LEU A 36 -3.285 10.959 -2.556 1.00 0.00 C ATOM 551 O LEU A 36 -2.474 11.379 -1.756 1.00 0.00 O ATOM 552 CB LEU A 36 -5.244 10.650 -1.027 1.00 0.00 C ATOM 553 CG LEU A 36 -5.815 11.995 -1.511 1.00 0.00 C ATOM 554 CD1 LEU A 36 -6.644 11.794 -2.791 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.701 12.592 -0.410 1.00 0.00 C ATOM 0 H LEU A 36 -3.447 8.771 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.033 9.786 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.058 9.983 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.633 10.805 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.992 12.674 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.041 12.754 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.010 11.375 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.468 11.111 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.108 13.545 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.519 11.906 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.106 12.750 0.490 1.00 0.00 H new ATOM 567 N GLU A 37 -3.255 11.315 -3.810 1.00 0.00 N ATOM 568 CA GLU A 37 -2.213 12.256 -4.307 1.00 0.00 C ATOM 569 C GLU A 37 -0.844 11.894 -3.728 1.00 0.00 C ATOM 570 O GLU A 37 -0.213 12.696 -3.070 1.00 0.00 O ATOM 571 CB GLU A 37 -2.577 13.684 -3.898 1.00 0.00 C ATOM 572 CG GLU A 37 -3.790 14.144 -4.709 1.00 0.00 C ATOM 573 CD GLU A 37 -4.218 15.539 -4.250 1.00 0.00 C ATOM 574 OE1 GLU A 37 -3.345 16.337 -3.951 1.00 0.00 O ATOM 575 OE2 GLU A 37 -5.412 15.786 -4.206 1.00 0.00 O ATOM 0 H GLU A 37 -3.914 10.991 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.166 12.184 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.800 13.724 -2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.733 14.352 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.545 14.159 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.613 13.440 -4.582 1.00 0.00 H new ATOM 582 N PRO A 38 -0.376 10.704 -3.989 1.00 0.00 N ATOM 583 CA PRO A 38 0.956 10.255 -3.503 1.00 0.00 C ATOM 584 C PRO A 38 2.071 11.026 -4.224 1.00 0.00 C ATOM 585 O PRO A 38 3.232 10.672 -4.175 1.00 0.00 O ATOM 586 CB PRO A 38 0.988 8.752 -3.834 1.00 0.00 C ATOM 587 CG PRO A 38 -0.001 8.571 -4.946 1.00 0.00 C ATOM 588 CD PRO A 38 -1.063 9.662 -4.770 1.00 0.00 C ATOM 0 HA PRO A 38 1.112 10.436 -2.440 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.986 8.438 -4.140 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.717 8.152 -2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.487 8.659 -5.917 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.453 7.580 -4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.406 10.044 -5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.941 9.284 -4.246 1.00 0.00 H new ATOM 596 N THR A 39 1.701 12.091 -4.888 1.00 0.00 N ATOM 597 CA THR A 39 2.692 12.927 -5.623 1.00 0.00 C ATOM 598 C THR A 39 3.585 12.041 -6.488 1.00 0.00 C ATOM 599 O THR A 39 4.740 12.341 -6.716 1.00 0.00 O ATOM 600 CB THR A 39 3.541 13.716 -4.622 1.00 0.00 C ATOM 601 OG1 THR A 39 4.293 12.816 -3.821 1.00 0.00 O ATOM 602 CG2 THR A 39 2.621 14.553 -3.733 1.00 0.00 C ATOM 0 H THR A 39 0.738 12.420 -4.952 1.00 0.00 H new ATOM 0 HA THR A 39 2.163 13.626 -6.271 1.00 0.00 H new ATOM 0 HB THR A 39 4.225 14.373 -5.159 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.212 11.909 -4.184 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.220 15.117 -3.018 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.048 15.244 -4.351 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.938 13.896 -3.195 1.00 0.00 H new ATOM 610 N ILE A 40 3.056 10.953 -6.988 1.00 0.00 N ATOM 611 CA ILE A 40 3.871 10.045 -7.854 1.00 0.00 C ATOM 612 C ILE A 40 3.552 10.334 -9.326 1.00 0.00 C ATOM 613 O ILE A 40 4.330 10.041 -10.209 1.00 0.00 O ATOM 614 CB ILE A 40 3.519 8.585 -7.523 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.563 7.649 -8.157 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.122 8.237 -8.067 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.938 7.824 -7.491 1.00 0.00 C ATOM 0 H ILE A 40 2.093 10.653 -6.834 1.00 0.00 H new ATOM 0 HA ILE A 40 4.933 10.212 -7.675 1.00 0.00 H new ATOM 0 HB ILE A 40 3.519 8.458 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.236 6.614 -8.058 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.643 7.857 -9.224 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.885 7.201 -7.826 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.380 8.894 -7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.109 8.370 -9.149 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.657 7.151 -7.958 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.273 8.854 -7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.860 7.591 -6.429 1.00 0.00 H new ATOM 629 N LEU A 41 2.412 10.911 -9.594 1.00 0.00 N ATOM 630 CA LEU A 41 2.043 11.224 -11.005 1.00 0.00 C ATOM 631 C LEU A 41 3.001 12.280 -11.564 1.00 0.00 C ATOM 632 O LEU A 41 3.426 12.212 -12.701 1.00 0.00 O ATOM 633 CB LEU A 41 0.612 11.760 -11.045 1.00 0.00 C ATOM 634 CG LEU A 41 -0.323 10.793 -10.309 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.744 11.365 -10.308 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.318 9.424 -11.008 1.00 0.00 C ATOM 0 H LEU A 41 1.719 11.180 -8.896 1.00 0.00 H new ATOM 0 HA LEU A 41 2.112 10.319 -11.609 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.570 12.746 -10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.287 11.880 -12.079 1.00 0.00 H new ATOM 0 HG LEU A 41 0.023 10.668 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.412 10.680 -9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.747 12.331 -9.803 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.086 11.492 -11.335 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.985 8.743 -10.479 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.659 9.540 -12.037 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.693 9.017 -11.005 1.00 0.00 H new ATOM 648 N ALA A 42 3.339 13.259 -10.771 1.00 0.00 N ATOM 649 CA ALA A 42 4.265 14.325 -11.246 1.00 0.00 C ATOM 650 C ALA A 42 5.639 13.722 -11.533 1.00 0.00 C ATOM 651 O ALA A 42 6.421 14.263 -12.290 1.00 0.00 O ATOM 652 CB ALA A 42 4.396 15.394 -10.160 1.00 0.00 C ATOM 0 H ALA A 42 3.012 13.367 -9.811 1.00 0.00 H new ATOM 0 HA ALA A 42 3.871 14.771 -12.159 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.073 16.178 -10.501 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.416 15.825 -9.953 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.793 14.942 -9.251 1.00 0.00 H new ATOM 658 N LYS A 43 5.946 12.607 -10.926 1.00 0.00 N ATOM 659 CA LYS A 43 7.276 11.961 -11.149 1.00 0.00 C ATOM 660 C LYS A 43 7.146 10.843 -12.185 1.00 0.00 C ATOM 661 O LYS A 43 7.885 10.792 -13.148 1.00 0.00 O ATOM 662 CB LYS A 43 7.773 11.364 -9.833 1.00 0.00 C ATOM 663 CG LYS A 43 8.145 12.490 -8.867 1.00 0.00 C ATOM 664 CD LYS A 43 8.670 11.888 -7.563 1.00 0.00 C ATOM 665 CE LYS A 43 9.139 13.009 -6.634 1.00 0.00 C ATOM 666 NZ LYS A 43 7.970 13.840 -6.227 1.00 0.00 N ATOM 0 H LYS A 43 5.330 12.112 -10.281 1.00 0.00 H new ATOM 0 HA LYS A 43 7.981 12.710 -11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.000 10.734 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.638 10.727 -10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.903 13.133 -9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.275 13.115 -8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.887 11.304 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.494 11.206 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.623 12.587 -5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.880 13.628 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.226 14.420 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.694 14.461 -7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.173 13.220 -5.980 1.00 0.00 H new ATOM 680 N GLU A 44 6.220 9.937 -11.988 1.00 0.00 N ATOM 681 CA GLU A 44 6.048 8.805 -12.953 1.00 0.00 C ATOM 682 C GLU A 44 4.564 8.569 -13.231 1.00 0.00 C ATOM 683 O GLU A 44 3.715 8.799 -12.393 1.00 0.00 O ATOM 684 CB GLU A 44 6.664 7.540 -12.359 1.00 0.00 C ATOM 685 CG GLU A 44 8.182 7.706 -12.305 1.00 0.00 C ATOM 686 CD GLU A 44 8.812 6.463 -11.677 1.00 0.00 C ATOM 687 OE1 GLU A 44 8.248 5.954 -10.724 1.00 0.00 O ATOM 688 OE2 GLU A 44 9.848 6.039 -12.164 1.00 0.00 O ATOM 0 H GLU A 44 5.574 9.932 -11.199 1.00 0.00 H new ATOM 0 HA GLU A 44 6.546 9.054 -13.890 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.269 7.362 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.401 6.673 -12.965 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.577 7.858 -13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.441 8.591 -11.723 1.00 0.00 H new ATOM 695 N SER A 45 4.251 8.116 -14.412 1.00 0.00 N ATOM 696 CA SER A 45 2.827 7.865 -14.770 1.00 0.00 C ATOM 697 C SER A 45 2.315 6.615 -14.049 1.00 0.00 C ATOM 698 O SER A 45 3.079 5.810 -13.554 1.00 0.00 O ATOM 699 CB SER A 45 2.722 7.660 -16.281 1.00 0.00 C ATOM 700 OG SER A 45 3.069 6.320 -16.599 1.00 0.00 O ATOM 0 H SER A 45 4.924 7.907 -15.149 1.00 0.00 H new ATOM 0 HA SER A 45 2.223 8.720 -14.467 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.708 7.875 -16.619 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.385 8.352 -16.800 1.00 0.00 H new ATOM 0 HG SER A 45 3.001 6.185 -17.567 1.00 0.00 H new ATOM 706 N THR A 46 1.023 6.451 -13.993 1.00 0.00 N ATOM 707 CA THR A 46 0.441 5.259 -13.313 1.00 0.00 C ATOM 708 C THR A 46 0.809 3.995 -14.096 1.00 0.00 C ATOM 709 O THR A 46 0.956 2.925 -13.538 1.00 0.00 O ATOM 710 CB THR A 46 -1.082 5.407 -13.265 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.574 5.600 -14.583 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.453 6.614 -12.400 1.00 0.00 C ATOM 0 H THR A 46 0.340 7.095 -14.392 1.00 0.00 H new ATOM 0 HA THR A 46 0.835 5.182 -12.300 1.00 0.00 H new ATOM 0 HB THR A 46 -1.523 4.507 -12.836 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.536 5.415 -14.603 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.537 6.718 -12.367 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.071 6.469 -11.389 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.015 7.516 -12.827 1.00 0.00 H new ATOM 720 N ASP A 47 0.957 4.111 -15.386 1.00 0.00 N ATOM 721 CA ASP A 47 1.313 2.926 -16.216 1.00 0.00 C ATOM 722 C ASP A 47 2.751 2.495 -15.908 1.00 0.00 C ATOM 723 O ASP A 47 3.164 1.397 -16.229 1.00 0.00 O ATOM 724 CB ASP A 47 1.198 3.296 -17.694 1.00 0.00 C ATOM 725 CG ASP A 47 -0.279 3.464 -18.064 1.00 0.00 C ATOM 726 OD1 ASP A 47 -1.116 3.136 -17.240 1.00 0.00 O ATOM 727 OD2 ASP A 47 -0.544 3.918 -19.164 1.00 0.00 O ATOM 0 H ASP A 47 0.846 4.982 -15.905 1.00 0.00 H new ATOM 0 HA ASP A 47 0.634 2.104 -15.989 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.741 4.220 -17.892 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.653 2.521 -18.311 1.00 0.00 H new ATOM 732 N ASP A 48 3.516 3.350 -15.289 1.00 0.00 N ATOM 733 CA ASP A 48 4.927 2.994 -14.958 1.00 0.00 C ATOM 734 C ASP A 48 4.952 2.239 -13.631 1.00 0.00 C ATOM 735 O ASP A 48 5.972 1.720 -13.220 1.00 0.00 O ATOM 736 CB ASP A 48 5.746 4.279 -14.827 1.00 0.00 C ATOM 737 CG ASP A 48 7.222 3.938 -14.613 1.00 0.00 C ATOM 738 OD1 ASP A 48 7.575 2.781 -14.770 1.00 0.00 O ATOM 739 OD2 ASP A 48 7.975 4.843 -14.295 1.00 0.00 O ATOM 0 H ASP A 48 3.225 4.283 -14.997 1.00 0.00 H new ATOM 0 HA ASP A 48 5.349 2.368 -15.744 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.631 4.887 -15.725 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.376 4.872 -13.991 1.00 0.00 H new ATOM 744 N ILE A 49 3.833 2.173 -12.957 1.00 0.00 N ATOM 745 CA ILE A 49 3.777 1.451 -11.652 1.00 0.00 C ATOM 746 C ILE A 49 3.155 0.074 -11.869 1.00 0.00 C ATOM 747 O ILE A 49 2.005 -0.049 -12.244 1.00 0.00 O ATOM 748 CB ILE A 49 2.922 2.252 -10.666 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.545 3.636 -10.478 1.00 0.00 C ATOM 750 CG2 ILE A 49 2.873 1.525 -9.317 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.585 4.535 -9.700 1.00 0.00 C ATOM 0 H ILE A 49 2.952 2.590 -13.256 1.00 0.00 H new ATOM 0 HA ILE A 49 4.783 1.337 -11.248 1.00 0.00 H new ATOM 0 HB ILE A 49 1.909 2.352 -11.055 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.491 3.549 -9.943 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.767 4.080 -11.449 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.264 2.097 -8.617 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.437 0.535 -9.453 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.883 1.425 -8.921 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.034 5.520 -9.569 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.650 4.633 -10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.385 4.095 -8.723 1.00 0.00 H new ATOM 763 N THR A 50 3.914 -0.964 -11.630 1.00 0.00 N ATOM 764 CA THR A 50 3.401 -2.355 -11.806 1.00 0.00 C ATOM 765 C THR A 50 3.617 -3.120 -10.501 1.00 0.00 C ATOM 766 O THR A 50 3.534 -4.332 -10.455 1.00 0.00 O ATOM 767 CB THR A 50 4.154 -3.033 -12.958 1.00 0.00 C ATOM 768 OG1 THR A 50 5.538 -3.105 -12.644 1.00 0.00 O ATOM 769 CG2 THR A 50 3.958 -2.214 -14.236 1.00 0.00 C ATOM 0 H THR A 50 4.883 -0.905 -11.315 1.00 0.00 H new ATOM 0 HA THR A 50 2.338 -2.343 -12.047 1.00 0.00 H new ATOM 0 HB THR A 50 3.768 -4.041 -13.107 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.018 -3.540 -13.379 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.491 -2.691 -15.059 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.896 -2.160 -14.474 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.348 -1.207 -14.086 1.00 0.00 H new ATOM 777 N GLY A 51 3.890 -2.416 -9.434 1.00 0.00 N ATOM 778 CA GLY A 51 4.105 -3.097 -8.128 1.00 0.00 C ATOM 779 C GLY A 51 4.333 -2.058 -7.029 1.00 0.00 C ATOM 780 O GLY A 51 4.672 -0.923 -7.292 1.00 0.00 O ATOM 0 H GLY A 51 3.973 -1.400 -9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.240 -3.714 -7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.964 -3.764 -8.193 1.00 0.00 H new ATOM 784 N MET A 52 4.144 -2.451 -5.793 1.00 0.00 N ATOM 785 CA MET A 52 4.338 -1.511 -4.644 1.00 0.00 C ATOM 786 C MET A 52 5.460 -2.044 -3.755 1.00 0.00 C ATOM 787 O MET A 52 5.488 -3.208 -3.405 1.00 0.00 O ATOM 788 CB MET A 52 3.040 -1.429 -3.835 1.00 0.00 C ATOM 789 CG MET A 52 3.213 -0.435 -2.686 1.00 0.00 C ATOM 790 SD MET A 52 1.642 -0.259 -1.803 1.00 0.00 S ATOM 791 CE MET A 52 1.542 -1.949 -1.161 1.00 0.00 C ATOM 0 H MET A 52 3.860 -3.394 -5.528 1.00 0.00 H new ATOM 0 HA MET A 52 4.599 -0.519 -5.012 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.218 -1.117 -4.479 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.782 -2.413 -3.442 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.989 -0.782 -2.004 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.536 0.532 -3.072 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.099 -1.934 -0.165 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.924 -2.554 -1.824 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.543 -2.377 -1.106 1.00 0.00 H new ATOM 801 N TYR A 53 6.393 -1.198 -3.398 1.00 0.00 N ATOM 802 CA TYR A 53 7.533 -1.640 -2.538 1.00 0.00 C ATOM 803 C TYR A 53 7.329 -1.134 -1.112 1.00 0.00 C ATOM 804 O TYR A 53 7.384 0.052 -0.841 1.00 0.00 O ATOM 805 CB TYR A 53 8.829 -1.063 -3.103 1.00 0.00 C ATOM 806 CG TYR A 53 9.107 -1.684 -4.451 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.558 -1.123 -5.609 1.00 0.00 C ATOM 808 CD2 TYR A 53 9.915 -2.822 -4.542 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.815 -1.699 -6.858 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.174 -3.401 -5.791 1.00 0.00 C ATOM 811 CZ TYR A 53 9.624 -2.837 -6.950 1.00 0.00 C ATOM 812 OH TYR A 53 9.880 -3.405 -8.182 1.00 0.00 O ATOM 0 H TYR A 53 6.414 -0.214 -3.667 1.00 0.00 H new ATOM 0 HA TYR A 53 7.584 -2.729 -2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.747 0.020 -3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.656 -1.261 -2.421 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.935 -0.244 -5.539 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.340 -3.255 -3.648 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.389 -1.265 -7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.797 -4.281 -5.861 1.00 0.00 H new ATOM 0 HH TYR A 53 10.459 -4.187 -8.068 1.00 0.00 H new ATOM 822 N LEU A 54 7.103 -2.034 -0.194 1.00 0.00 N ATOM 823 CA LEU A 54 6.905 -1.638 1.230 1.00 0.00 C ATOM 824 C LEU A 54 8.239 -1.766 1.951 1.00 0.00 C ATOM 825 O LEU A 54 8.885 -2.791 1.885 1.00 0.00 O ATOM 826 CB LEU A 54 5.879 -2.575 1.870 1.00 0.00 C ATOM 827 CG LEU A 54 4.565 -2.507 1.081 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.601 -3.571 1.607 1.00 0.00 C ATOM 829 CD2 LEU A 54 3.923 -1.120 1.240 1.00 0.00 C ATOM 0 H LEU A 54 7.047 -3.037 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 54 6.544 -0.612 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.259 -3.597 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.708 -2.290 2.908 1.00 0.00 H new ATOM 0 HG LEU A 54 4.775 -2.685 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.667 -3.524 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.047 -4.558 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.401 -3.390 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.991 -1.084 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.717 -0.933 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.605 -0.358 0.863 1.00 0.00 H new ATOM 841 N ILE A 55 8.664 -0.729 2.624 1.00 0.00 N ATOM 842 CA ILE A 55 9.975 -0.771 3.345 1.00 0.00 C ATOM 843 C ILE A 55 9.737 -0.618 4.844 1.00 0.00 C ATOM 844 O ILE A 55 9.059 0.286 5.290 1.00 0.00 O ATOM 845 CB ILE A 55 10.849 0.374 2.838 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.049 0.226 1.320 1.00 0.00 C ATOM 847 CG2 ILE A 55 12.201 0.361 3.557 1.00 0.00 C ATOM 848 CD1 ILE A 55 11.674 -1.129 0.968 1.00 0.00 C ATOM 0 H ILE A 55 8.157 0.152 2.707 1.00 0.00 H new ATOM 0 HA ILE A 55 10.473 -1.723 3.162 1.00 0.00 H new ATOM 0 HB ILE A 55 10.359 1.325 3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.089 0.328 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.689 1.029 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.817 1.181 3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.044 0.478 4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.706 -0.586 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.802 -1.201 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.645 -1.219 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.020 -1.931 1.310 1.00 0.00 H new ATOM 860 N ASP A 56 10.288 -1.506 5.624 1.00 0.00 N ATOM 861 CA ASP A 56 10.096 -1.429 7.098 1.00 0.00 C ATOM 862 C ASP A 56 11.253 -2.132 7.810 1.00 0.00 C ATOM 863 O ASP A 56 11.463 -3.318 7.651 1.00 0.00 O ATOM 864 CB ASP A 56 8.775 -2.100 7.469 1.00 0.00 C ATOM 865 CG ASP A 56 8.450 -1.805 8.932 1.00 0.00 C ATOM 866 OD1 ASP A 56 8.972 -0.832 9.451 1.00 0.00 O ATOM 867 OD2 ASP A 56 7.685 -2.559 9.509 1.00 0.00 O ATOM 0 H ASP A 56 10.864 -2.284 5.303 1.00 0.00 H new ATOM 0 HA ASP A 56 10.073 -0.384 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.975 -1.733 6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.844 -3.176 7.310 1.00 0.00 H new ATOM 872 N ASP A 57 11.999 -1.399 8.593 1.00 0.00 N ATOM 873 CA ASP A 57 13.155 -1.991 9.338 1.00 0.00 C ATOM 874 C ASP A 57 13.908 -2.991 8.460 1.00 0.00 C ATOM 875 O ASP A 57 13.999 -4.154 8.785 1.00 0.00 O ATOM 876 CB ASP A 57 12.655 -2.691 10.603 1.00 0.00 C ATOM 877 CG ASP A 57 12.202 -1.636 11.615 1.00 0.00 C ATOM 878 OD1 ASP A 57 12.472 -0.469 11.382 1.00 0.00 O ATOM 879 OD2 ASP A 57 11.591 -2.011 12.601 1.00 0.00 O ATOM 0 H ASP A 57 11.857 -0.402 8.752 1.00 0.00 H new ATOM 0 HA ASP A 57 13.837 -1.186 9.613 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.828 -3.359 10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.447 -3.306 11.030 1.00 0.00 H new ATOM 884 N GLU A 58 14.444 -2.529 7.359 1.00 0.00 N ATOM 885 CA GLU A 58 15.212 -3.422 6.432 1.00 0.00 C ATOM 886 C GLU A 58 14.252 -4.409 5.766 1.00 0.00 C ATOM 887 O GLU A 58 14.349 -4.685 4.587 1.00 0.00 O ATOM 888 CB GLU A 58 16.288 -4.202 7.206 1.00 0.00 C ATOM 889 CG GLU A 58 17.263 -4.848 6.221 1.00 0.00 C ATOM 890 CD GLU A 58 18.364 -5.566 7.004 1.00 0.00 C ATOM 891 OE1 GLU A 58 18.205 -5.719 8.205 1.00 0.00 O ATOM 892 OE2 GLU A 58 19.346 -5.951 6.392 1.00 0.00 O ATOM 0 H GLU A 58 14.382 -1.557 7.057 1.00 0.00 H new ATOM 0 HA GLU A 58 15.698 -2.807 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.825 -3.532 7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.821 -4.968 7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.736 -5.554 5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.698 -4.089 5.570 1.00 0.00 H new ATOM 899 N GLY A 59 13.325 -4.942 6.514 1.00 0.00 N ATOM 900 CA GLY A 59 12.360 -5.913 5.931 1.00 0.00 C ATOM 901 C GLY A 59 11.465 -5.202 4.919 1.00 0.00 C ATOM 902 O GLY A 59 11.020 -4.093 5.139 1.00 0.00 O ATOM 0 H GLY A 59 13.195 -4.745 7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.897 -6.728 5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.753 -6.356 6.720 1.00 0.00 H new ATOM 906 N GLU A 60 11.193 -5.832 3.809 1.00 0.00 N ATOM 907 CA GLU A 60 10.320 -5.192 2.782 1.00 0.00 C ATOM 908 C GLU A 60 9.497 -6.256 2.060 1.00 0.00 C ATOM 909 O GLU A 60 9.925 -7.380 1.889 1.00 0.00 O ATOM 910 CB GLU A 60 11.187 -4.443 1.773 1.00 0.00 C ATOM 911 CG GLU A 60 12.329 -5.334 1.298 1.00 0.00 C ATOM 912 CD GLU A 60 13.167 -4.580 0.265 1.00 0.00 C ATOM 913 OE1 GLU A 60 12.600 -3.777 -0.458 1.00 0.00 O ATOM 914 OE2 GLU A 60 14.364 -4.812 0.219 1.00 0.00 O ATOM 0 H GLU A 60 11.537 -6.762 3.568 1.00 0.00 H new ATOM 0 HA GLU A 60 9.644 -4.492 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.581 -4.131 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.588 -3.537 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.952 -5.627 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.932 -6.250 0.861 1.00 0.00 H new ATOM 921 N ILE A 61 8.314 -5.896 1.633 1.00 0.00 N ATOM 922 CA ILE A 61 7.426 -6.857 0.907 1.00 0.00 C ATOM 923 C ILE A 61 7.080 -6.275 -0.460 1.00 0.00 C ATOM 924 O ILE A 61 6.695 -5.130 -0.579 1.00 0.00 O ATOM 925 CB ILE A 61 6.150 -7.081 1.720 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.519 -7.787 3.028 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.177 -7.947 0.918 1.00 0.00 C ATOM 928 CD1 ILE A 61 5.318 -7.790 3.974 1.00 0.00 C ATOM 0 H ILE A 61 7.919 -4.964 1.758 1.00 0.00 H new ATOM 0 HA ILE A 61 7.935 -7.812 0.776 1.00 0.00 H new ATOM 0 HB ILE A 61 5.674 -6.125 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.834 -8.810 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.363 -7.282 3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.268 -8.106 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.928 -7.444 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.641 -8.909 0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.587 -8.294 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.023 -6.763 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.486 -8.315 3.504 1.00 0.00 H new ATOM 940 N ILE A 62 7.234 -7.056 -1.499 1.00 0.00 N ATOM 941 CA ILE A 62 6.940 -6.562 -2.879 1.00 0.00 C ATOM 942 C ILE A 62 5.654 -7.202 -3.387 1.00 0.00 C ATOM 943 O ILE A 62 5.484 -8.403 -3.332 1.00 0.00 O ATOM 944 CB ILE A 62 8.093 -6.956 -3.802 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.394 -6.322 -3.287 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.807 -6.455 -5.219 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.868 -6.996 -1.985 1.00 0.00 C ATOM 0 H ILE A 62 7.554 -8.023 -1.450 1.00 0.00 H new ATOM 0 HA ILE A 62 6.825 -5.478 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 62 8.196 -8.041 -3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.170 -6.410 -4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.238 -5.258 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.629 -6.736 -5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.882 -6.902 -5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.706 -5.370 -5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.791 -6.525 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.101 -6.885 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.048 -8.055 -2.168 1.00 0.00 H new ATOM 959 N THR A 63 4.742 -6.402 -3.880 1.00 0.00 N ATOM 960 CA THR A 63 3.450 -6.947 -4.400 1.00 0.00 C ATOM 961 C THR A 63 3.202 -6.405 -5.805 1.00 0.00 C ATOM 962 O THR A 63 3.254 -5.216 -6.045 1.00 0.00 O ATOM 963 CB THR A 63 2.303 -6.531 -3.473 1.00 0.00 C ATOM 964 OG1 THR A 63 1.066 -6.896 -4.067 1.00 0.00 O ATOM 965 CG2 THR A 63 2.330 -5.018 -3.243 1.00 0.00 C ATOM 0 H THR A 63 4.837 -5.389 -3.945 1.00 0.00 H new ATOM 0 HA THR A 63 3.502 -8.035 -4.435 1.00 0.00 H new ATOM 0 HB THR A 63 2.418 -7.036 -2.514 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.343 -6.781 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.510 -4.736 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.278 -4.736 -2.785 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.221 -4.503 -4.197 1.00 0.00 H new ATOM 973 N ARG A 64 2.935 -7.278 -6.738 1.00 0.00 N ATOM 974 CA ARG A 64 2.685 -6.837 -8.139 1.00 0.00 C ATOM 975 C ARG A 64 1.186 -6.588 -8.318 1.00 0.00 C ATOM 976 O ARG A 64 0.714 -6.310 -9.402 1.00 0.00 O ATOM 977 CB ARG A 64 3.150 -7.945 -9.095 1.00 0.00 C ATOM 978 CG ARG A 64 3.404 -7.368 -10.503 1.00 0.00 C ATOM 979 CD ARG A 64 4.839 -6.834 -10.600 1.00 0.00 C ATOM 980 NE ARG A 64 5.039 -6.196 -11.933 1.00 0.00 N ATOM 981 CZ ARG A 64 5.418 -6.909 -12.959 1.00 0.00 C ATOM 982 NH1 ARG A 64 5.616 -8.194 -12.833 1.00 0.00 N ATOM 983 NH2 ARG A 64 5.593 -6.334 -14.116 1.00 0.00 N ATOM 0 H ARG A 64 2.879 -8.285 -6.588 1.00 0.00 H new ATOM 0 HA ARG A 64 3.232 -5.919 -8.355 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.062 -8.405 -8.713 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.395 -8.730 -9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.243 -8.140 -11.256 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.694 -6.567 -10.710 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.024 -6.110 -9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.552 -7.647 -10.463 1.00 0.00 H new ATOM 0 HE ARG A 64 4.878 -5.195 -12.044 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.475 -8.646 -11.929 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.912 -8.746 -13.638 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.434 -5.332 -14.217 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.889 -6.887 -14.921 1.00 0.00 H new ATOM 997 N GLU A 65 0.431 -6.693 -7.257 1.00 0.00 N ATOM 998 CA GLU A 65 -1.039 -6.466 -7.353 1.00 0.00 C ATOM 999 C GLU A 65 -1.342 -4.996 -7.074 1.00 0.00 C ATOM 1000 O GLU A 65 -1.761 -4.637 -5.990 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.758 -7.348 -6.326 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.596 -8.825 -6.708 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.297 -9.094 -8.042 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -3.166 -8.316 -8.398 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -1.947 -10.068 -8.688 1.00 0.00 O ATOM 0 H GLU A 65 0.771 -6.927 -6.324 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.387 -6.723 -8.354 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.348 -7.173 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.815 -7.087 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.538 -9.077 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.019 -9.460 -5.930 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.130 -4.140 -8.046 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.399 -2.677 -7.857 1.00 0.00 C ATOM 1014 C VAL A 66 -2.431 -2.207 -8.882 1.00 0.00 C ATOM 1015 O VAL A 66 -2.332 -2.494 -10.058 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.095 -1.886 -8.034 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.711 -1.922 -6.733 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.734 -2.506 -9.160 1.00 0.00 C ATOM 0 H VAL A 66 -0.779 -4.394 -8.970 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.788 -2.509 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.335 -0.853 -8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.636 -1.360 -6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.125 -1.477 -5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.947 -2.956 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.659 -1.943 -9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.970 -3.541 -8.911 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.165 -2.477 -10.089 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.419 -1.474 -8.431 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.477 -0.959 -9.354 1.00 0.00 C ATOM 1030 C LYS A 67 -4.529 0.559 -9.238 1.00 0.00 C ATOM 1031 O LYS A 67 -4.450 1.118 -8.163 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.828 -1.554 -8.959 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.778 -3.081 -9.081 1.00 0.00 C ATOM 1034 CD LYS A 67 -5.577 -3.495 -10.549 1.00 0.00 C ATOM 1035 CE LYS A 67 -5.996 -4.956 -10.738 1.00 0.00 C ATOM 1036 NZ LYS A 67 -7.480 -5.040 -10.812 1.00 0.00 N ATOM 0 H LYS A 67 -3.538 -1.208 -7.454 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.249 -1.243 -10.382 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.076 -1.270 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.613 -1.154 -9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.965 -3.475 -8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.702 -3.513 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.166 -2.851 -11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.532 -3.367 -10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.552 -5.358 -11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.627 -5.561 -9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.757 -5.969 -11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.882 -4.918 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.839 -4.292 -11.439 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.639 1.227 -10.353 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.675 2.720 -10.343 1.00 0.00 C ATOM 1052 C GLY A 68 -6.112 3.224 -10.473 1.00 0.00 C ATOM 1053 O GLY A 68 -6.827 2.865 -11.388 1.00 0.00 O ATOM 0 H GLY A 68 -4.706 0.801 -11.278 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.235 3.094 -9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.072 3.109 -11.163 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.533 4.077 -9.576 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.917 4.634 -9.649 1.00 0.00 C ATOM 1059 C LYS A 69 -7.868 5.993 -10.349 1.00 0.00 C ATOM 1060 O LYS A 69 -7.111 6.875 -9.972 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.476 4.800 -8.238 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.851 3.426 -7.680 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.398 3.581 -6.260 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.880 2.222 -5.753 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.405 2.364 -4.366 1.00 0.00 N ATOM 0 H LYS A 69 -5.975 4.414 -8.792 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.561 3.956 -10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.737 5.277 -7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.351 5.450 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.598 2.954 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.978 2.774 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.624 3.974 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.219 4.298 -6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.658 1.833 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.060 1.504 -5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.351 1.447 -3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.836 3.065 -3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.395 2.680 -4.400 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.671 6.163 -11.371 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.678 7.452 -12.124 1.00 0.00 C ATOM 1081 C PHE A 70 -9.887 8.285 -11.715 1.00 0.00 C ATOM 1082 O PHE A 70 -10.981 7.778 -11.557 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.760 7.154 -13.622 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.524 6.404 -14.053 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -6.381 7.105 -14.452 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -7.521 5.003 -14.052 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -5.234 6.407 -14.850 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -6.376 4.305 -14.451 1.00 0.00 C ATOM 1089 CZ PHE A 70 -5.231 5.008 -14.849 1.00 0.00 C ATOM 0 H PHE A 70 -9.324 5.460 -11.716 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.766 8.006 -11.900 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.651 6.564 -13.838 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.849 8.083 -14.184 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.383 8.185 -14.453 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.403 4.462 -13.743 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.352 6.949 -15.158 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.375 3.225 -14.452 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.346 4.470 -15.155 1.00 0.00 H new ATOM 1099 N ILE A 71 -9.691 9.566 -11.545 1.00 0.00 N ATOM 1100 CA ILE A 71 -10.814 10.469 -11.146 1.00 0.00 C ATOM 1101 C ILE A 71 -11.078 11.460 -12.275 1.00 0.00 C ATOM 1102 O ILE A 71 -10.169 12.055 -12.814 1.00 0.00 O ATOM 1103 CB ILE A 71 -10.426 11.228 -9.880 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -10.082 10.222 -8.769 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -11.588 12.123 -9.437 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -11.261 9.280 -8.486 1.00 0.00 C ATOM 0 H ILE A 71 -8.791 10.031 -11.667 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.713 9.883 -10.954 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.556 11.854 -10.081 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.209 9.638 -9.061 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.816 10.759 -7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.307 12.663 -8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.820 12.836 -10.228 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.465 11.508 -9.234 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.987 8.581 -7.696 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.125 9.864 -8.170 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.509 8.726 -9.391 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.319 11.621 -12.636 1.00 0.00 N ATOM 1119 CA ASN A 72 -12.684 12.558 -13.737 1.00 0.00 C ATOM 1120 C ASN A 72 -11.944 12.158 -15.015 1.00 0.00 C ATOM 1121 O ASN A 72 -11.612 12.985 -15.842 1.00 0.00 O ATOM 1122 CB ASN A 72 -12.329 13.998 -13.341 1.00 0.00 C ATOM 1123 CG ASN A 72 -13.250 14.465 -12.204 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -12.874 15.308 -11.416 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -14.449 13.954 -12.087 1.00 0.00 N ATOM 0 H ASN A 72 -13.109 11.136 -12.209 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.758 12.504 -13.917 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.288 14.052 -13.024 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.434 14.658 -14.202 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.065 14.264 -11.335 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.768 13.245 -12.748 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.707 10.886 -15.192 1.00 0.00 N ATOM 1133 CA GLY A 73 -11.013 10.415 -16.422 1.00 0.00 C ATOM 1134 C GLY A 73 -9.508 10.646 -16.302 1.00 0.00 C ATOM 1135 O GLY A 73 -8.737 10.142 -17.095 1.00 0.00 O ATOM 0 H GLY A 73 -11.966 10.151 -14.534 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.214 9.355 -16.578 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.401 10.944 -17.292 1.00 0.00 H new ATOM 1139 N ARG A 74 -9.080 11.405 -15.319 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.613 11.676 -15.150 1.00 0.00 C ATOM 1141 C ARG A 74 -7.105 11.010 -13.860 1.00 0.00 C ATOM 1142 O ARG A 74 -7.839 10.880 -12.900 1.00 0.00 O ATOM 1143 CB ARG A 74 -7.385 13.194 -15.065 1.00 0.00 C ATOM 1144 CG ARG A 74 -8.245 13.798 -13.952 1.00 0.00 C ATOM 1145 CD ARG A 74 -7.885 15.277 -13.782 1.00 0.00 C ATOM 1146 NE ARG A 74 -6.546 15.390 -13.131 1.00 0.00 N ATOM 1147 CZ ARG A 74 -5.830 16.474 -13.275 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -6.278 17.468 -13.993 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -4.662 16.563 -12.697 1.00 0.00 N ATOM 0 H ARG A 74 -9.683 11.849 -14.626 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.069 11.268 -16.002 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.332 13.400 -14.873 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.633 13.660 -16.019 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.302 13.695 -14.197 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.080 13.262 -13.017 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.873 15.774 -14.752 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.640 15.779 -13.176 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.188 14.617 -12.571 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.190 17.401 -14.444 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.716 18.312 -14.103 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.311 15.788 -12.135 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.101 17.408 -12.808 1.00 0.00 H new ATOM 1163 N PRO A 75 -5.856 10.594 -13.831 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.259 9.940 -12.627 1.00 0.00 C ATOM 1165 C PRO A 75 -5.217 10.881 -11.417 1.00 0.00 C ATOM 1166 O PRO A 75 -4.971 12.065 -11.540 1.00 0.00 O ATOM 1167 CB PRO A 75 -3.840 9.537 -13.078 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.540 10.403 -14.260 1.00 0.00 C ATOM 1169 CD PRO A 75 -4.881 10.694 -14.930 1.00 0.00 C ATOM 0 HA PRO A 75 -5.850 9.087 -12.294 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.114 9.695 -12.280 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.797 8.481 -13.343 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.051 11.327 -13.951 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.862 9.899 -14.949 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.893 11.684 -15.386 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.096 9.976 -15.721 1.00 0.00 H new ATOM 1177 N THR A 76 -5.459 10.354 -10.251 1.00 0.00 N ATOM 1178 CA THR A 76 -5.439 11.200 -9.027 1.00 0.00 C ATOM 1179 C THR A 76 -5.202 10.314 -7.799 1.00 0.00 C ATOM 1180 O THR A 76 -4.659 10.761 -6.809 1.00 0.00 O ATOM 1181 CB THR A 76 -6.783 11.927 -8.886 1.00 0.00 C ATOM 1182 OG1 THR A 76 -6.860 12.969 -9.848 1.00 0.00 O ATOM 1183 CG2 THR A 76 -6.931 12.516 -7.478 1.00 0.00 C ATOM 0 H THR A 76 -5.671 9.369 -10.092 1.00 0.00 H new ATOM 0 HA THR A 76 -4.637 11.934 -9.104 1.00 0.00 H new ATOM 0 HB THR A 76 -7.589 11.212 -9.052 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.049 12.967 -10.398 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.890 13.028 -7.397 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.884 11.714 -6.741 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.124 13.226 -7.294 1.00 0.00 H new ATOM 1191 N ALA A 77 -5.618 9.067 -7.839 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.421 8.183 -6.647 1.00 0.00 C ATOM 1193 C ALA A 77 -5.065 6.769 -7.093 1.00 0.00 C ATOM 1194 O ALA A 77 -5.410 6.340 -8.176 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.713 8.144 -5.831 1.00 0.00 C ATOM 0 H ALA A 77 -6.080 8.629 -8.636 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.607 8.580 -6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.575 7.501 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.965 9.152 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.521 7.751 -6.448 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.371 6.040 -6.253 1.00 0.00 N ATOM 1202 CA ILE A 78 -3.972 4.642 -6.597 1.00 0.00 C ATOM 1203 C ILE A 78 -4.338 3.708 -5.448 1.00 0.00 C ATOM 1204 O ILE A 78 -4.413 4.108 -4.304 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.463 4.583 -6.840 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.133 5.382 -8.101 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -2.024 3.124 -7.020 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.617 5.512 -8.240 1.00 0.00 C ATOM 0 H ILE A 78 -4.062 6.359 -5.335 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.497 4.330 -7.500 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.935 5.008 -5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.548 4.885 -8.978 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.590 6.370 -8.048 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.948 3.086 -7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.267 2.557 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.544 2.690 -7.874 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.382 6.082 -9.139 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.215 6.028 -7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.172 4.520 -8.312 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.567 2.460 -5.757 1.00 0.00 N ATOM 1221 CA GLU A 79 -4.931 1.466 -4.704 1.00 0.00 C ATOM 1222 C GLU A 79 -4.082 0.213 -4.893 1.00 0.00 C ATOM 1223 O GLU A 79 -3.652 -0.097 -5.987 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.406 1.101 -4.844 1.00 0.00 C ATOM 1225 CG GLU A 79 -6.813 0.176 -3.698 1.00 0.00 C ATOM 1226 CD GLU A 79 -8.297 -0.167 -3.821 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -8.696 -0.617 -4.881 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -9.006 0.017 -2.847 1.00 0.00 O ATOM 0 H GLU A 79 -4.517 2.082 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.753 1.890 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.018 2.003 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.581 0.610 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.215 -0.735 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.619 0.659 -2.740 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.837 -0.511 -3.834 1.00 0.00 N ATOM 1236 CA ALA A 80 -3.010 -1.750 -3.943 1.00 0.00 C ATOM 1237 C ALA A 80 -3.616 -2.837 -3.064 1.00 0.00 C ATOM 1238 O ALA A 80 -4.230 -2.558 -2.055 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.587 -1.452 -3.472 1.00 0.00 C ATOM 0 H ALA A 80 -4.174 -0.298 -2.895 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.988 -2.087 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.981 -2.355 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.154 -0.669 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.609 -1.119 -2.434 1.00 0.00 H new ATOM 1245 N THR A 81 -3.447 -4.078 -3.445 1.00 0.00 N ATOM 1246 CA THR A 81 -4.007 -5.206 -2.643 1.00 0.00 C ATOM 1247 C THR A 81 -2.881 -6.177 -2.303 1.00 0.00 C ATOM 1248 O THR A 81 -2.126 -6.588 -3.163 1.00 0.00 O ATOM 1249 CB THR A 81 -5.075 -5.929 -3.461 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.070 -4.998 -3.861 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.714 -7.020 -2.603 1.00 0.00 C ATOM 0 H THR A 81 -2.941 -4.359 -4.285 1.00 0.00 H new ATOM 0 HA THR A 81 -4.454 -4.823 -1.725 1.00 0.00 H new ATOM 0 HB THR A 81 -4.621 -6.378 -4.344 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.756 -5.459 -4.388 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.477 -7.539 -3.183 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.950 -7.731 -2.290 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.172 -6.569 -1.722 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.757 -6.542 -1.054 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.674 -7.485 -0.635 1.00 0.00 C ATOM 1261 C VAL A 82 -2.300 -8.804 -0.192 1.00 0.00 C ATOM 1262 O VAL A 82 -3.232 -8.837 0.587 1.00 0.00 O ATOM 1263 CB VAL A 82 -0.896 -6.858 0.524 1.00 0.00 C ATOM 1264 CG1 VAL A 82 0.043 -7.896 1.142 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.081 -5.676 -0.003 1.00 0.00 C ATOM 0 H VAL A 82 -3.364 -6.225 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.996 -7.675 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.594 -6.513 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.594 -7.443 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.540 -8.738 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.745 -8.247 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.476 -5.224 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.615 -6.025 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.753 -4.935 -0.437 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.793 -9.898 -0.696 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.345 -11.236 -0.329 1.00 0.00 C ATOM 1277 C ILE A 83 -1.462 -11.888 0.734 1.00 0.00 C ATOM 1278 O ILE A 83 -0.282 -12.100 0.538 1.00 0.00 O ATOM 1279 CB ILE A 83 -2.378 -12.110 -1.582 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -2.996 -11.313 -2.740 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -3.201 -13.370 -1.317 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -4.355 -10.742 -2.322 1.00 0.00 C ATOM 0 H ILE A 83 -1.013 -9.922 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.352 -11.124 0.073 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.362 -12.404 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.327 -10.503 -3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.116 -11.957 -3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.220 -13.988 -2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.752 -13.933 -0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.219 -13.090 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.784 -10.179 -3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.025 -11.558 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.224 -10.082 -1.464 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.036 -12.203 1.864 1.00 0.00 N ATOM 1295 CA LEU A 84 -1.256 -12.841 2.965 1.00 0.00 C ATOM 1296 C LEU A 84 -1.482 -14.353 2.928 1.00 0.00 C ATOM 1297 O LEU A 84 -0.641 -15.118 2.501 1.00 0.00 O ATOM 1298 CB LEU A 84 -1.756 -12.285 4.303 1.00 0.00 C ATOM 1299 CG LEU A 84 -1.720 -10.751 4.278 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.324 -10.205 5.577 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.272 -10.263 4.142 1.00 0.00 C ATOM 0 H LEU A 84 -3.021 -12.044 2.074 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.193 -12.629 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.772 -12.630 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.135 -12.659 5.117 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.299 -10.393 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.299 -9.115 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.356 -10.543 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.747 -10.568 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.255 -9.173 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.314 -10.622 4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.156 -10.647 3.216 1.00 0.00 H new ATOM 1313 N ASN A 85 -2.624 -14.776 3.378 1.00 0.00 N ATOM 1314 CA ASN A 85 -2.954 -16.229 3.390 1.00 0.00 C ATOM 1315 C ASN A 85 -1.887 -16.997 4.173 1.00 0.00 C ATOM 1316 O ASN A 85 -1.591 -18.137 3.881 1.00 0.00 O ATOM 1317 CB ASN A 85 -3.033 -16.765 1.959 1.00 0.00 C ATOM 1318 CG ASN A 85 -3.962 -15.878 1.123 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -3.988 -15.979 -0.087 1.00 0.00 O ATOM 1320 ND2 ASN A 85 -4.729 -15.007 1.720 1.00 0.00 N ATOM 0 H ASN A 85 -3.357 -14.169 3.745 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.922 -16.366 3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.038 -16.787 1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.402 -17.790 1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.349 -14.412 1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.708 -14.921 2.736 1.00 0.00 H new ATOM 1327 N SER A 86 -1.310 -16.385 5.174 1.00 0.00 N ATOM 1328 CA SER A 86 -0.273 -17.088 5.982 1.00 0.00 C ATOM 1329 C SER A 86 -0.240 -16.493 7.393 1.00 0.00 C ATOM 1330 O SER A 86 -0.353 -15.298 7.583 1.00 0.00 O ATOM 1331 CB SER A 86 1.096 -16.923 5.312 1.00 0.00 C ATOM 1332 OG SER A 86 1.241 -17.904 4.292 1.00 0.00 O ATOM 0 H SER A 86 -1.513 -15.429 5.466 1.00 0.00 H new ATOM 0 HA SER A 86 -0.513 -18.149 6.045 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.188 -15.923 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.890 -17.029 6.051 1.00 0.00 H new ATOM 0 HG SER A 86 0.356 -18.181 3.976 1.00 0.00 H new ATOM 1338 N GLN A 87 -0.077 -17.326 8.379 1.00 0.00 N ATOM 1339 CA GLN A 87 -0.020 -16.847 9.791 1.00 0.00 C ATOM 1340 C GLN A 87 1.187 -15.911 9.990 1.00 0.00 C ATOM 1341 O GLN A 87 1.024 -14.777 10.394 1.00 0.00 O ATOM 1342 CB GLN A 87 0.105 -18.068 10.725 1.00 0.00 C ATOM 1343 CG GLN A 87 -1.282 -18.506 11.206 1.00 0.00 C ATOM 1344 CD GLN A 87 -1.796 -17.499 12.235 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -1.088 -16.585 12.611 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -3.004 -17.626 12.704 1.00 0.00 N ATOM 0 H GLN A 87 0.021 -18.335 8.267 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.929 -16.292 10.024 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.593 -18.889 10.200 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.733 -17.819 11.580 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.970 -18.567 10.363 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.230 -19.501 11.647 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.596 -18.394 12.387 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.358 -16.958 13.388 1.00 0.00 H new ATOM 1355 N PRO A 88 2.391 -16.369 9.726 1.00 0.00 N ATOM 1356 CA PRO A 88 3.613 -15.530 9.907 1.00 0.00 C ATOM 1357 C PRO A 88 3.502 -14.207 9.144 1.00 0.00 C ATOM 1358 O PRO A 88 3.960 -13.175 9.594 1.00 0.00 O ATOM 1359 CB PRO A 88 4.758 -16.407 9.343 1.00 0.00 C ATOM 1360 CG PRO A 88 4.077 -17.476 8.544 1.00 0.00 C ATOM 1361 CD PRO A 88 2.741 -17.715 9.234 1.00 0.00 C ATOM 0 HA PRO A 88 3.773 -15.250 10.948 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.433 -15.820 8.721 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.357 -16.837 10.146 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.933 -17.161 7.510 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.674 -18.388 8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.991 -18.103 8.544 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.828 -18.435 10.048 1.00 0.00 H new ATOM 1369 N GLU A 89 2.892 -14.231 7.997 1.00 0.00 N ATOM 1370 CA GLU A 89 2.746 -12.981 7.207 1.00 0.00 C ATOM 1371 C GLU A 89 1.776 -12.036 7.926 1.00 0.00 C ATOM 1372 O GLU A 89 1.973 -10.837 7.960 1.00 0.00 O ATOM 1373 CB GLU A 89 2.203 -13.320 5.820 1.00 0.00 C ATOM 1374 CG GLU A 89 3.229 -14.171 5.067 1.00 0.00 C ATOM 1375 CD GLU A 89 2.774 -14.369 3.620 1.00 0.00 C ATOM 1376 OE1 GLU A 89 1.760 -13.801 3.258 1.00 0.00 O ATOM 1377 OE2 GLU A 89 3.447 -15.087 2.900 1.00 0.00 O ATOM 0 H GLU A 89 2.487 -15.064 7.570 1.00 0.00 H new ATOM 0 HA GLU A 89 3.716 -12.494 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.260 -13.860 5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.995 -12.405 5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.204 -13.685 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.344 -15.138 5.558 1.00 0.00 H new ATOM 1384 N TRP A 90 0.733 -12.568 8.504 1.00 0.00 N ATOM 1385 CA TRP A 90 -0.245 -11.703 9.226 1.00 0.00 C ATOM 1386 C TRP A 90 0.465 -11.006 10.391 1.00 0.00 C ATOM 1387 O TRP A 90 0.321 -9.820 10.602 1.00 0.00 O ATOM 1388 CB TRP A 90 -1.398 -12.584 9.761 1.00 0.00 C ATOM 1389 CG TRP A 90 -2.557 -12.555 8.816 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.986 -13.598 8.070 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -3.436 -11.439 8.509 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -4.078 -13.191 7.324 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -4.393 -11.866 7.561 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -3.494 -10.109 8.960 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.376 -11.003 7.077 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -4.481 -9.237 8.475 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -5.419 -9.682 7.535 1.00 0.00 C ATOM 0 H TRP A 90 0.516 -13.565 8.508 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.650 -10.949 8.551 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -1.051 -13.609 9.890 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.711 -12.228 10.742 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.549 -14.585 8.058 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.588 -13.794 6.679 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.775 -9.756 9.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -6.098 -11.352 6.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.517 -8.217 8.829 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -6.175 -9.006 7.164 1.00 0.00 H new ATOM 1408 N ASP A 91 1.227 -11.739 11.146 1.00 0.00 N ATOM 1409 CA ASP A 91 1.946 -11.126 12.294 1.00 0.00 C ATOM 1410 C ASP A 91 2.922 -10.072 11.771 1.00 0.00 C ATOM 1411 O ASP A 91 3.047 -8.996 12.321 1.00 0.00 O ATOM 1412 CB ASP A 91 2.723 -12.215 13.034 1.00 0.00 C ATOM 1413 CG ASP A 91 1.753 -13.107 13.812 1.00 0.00 C ATOM 1414 OD1 ASP A 91 0.617 -12.700 13.994 1.00 0.00 O ATOM 1415 OD2 ASP A 91 2.164 -14.184 14.213 1.00 0.00 O ATOM 0 H ASP A 91 1.384 -12.739 11.019 1.00 0.00 H new ATOM 0 HA ASP A 91 1.233 -10.658 12.972 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.293 -12.814 12.324 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.442 -11.762 13.717 1.00 0.00 H new ATOM 1420 N ARG A 92 3.614 -10.379 10.710 1.00 0.00 N ATOM 1421 CA ARG A 92 4.588 -9.407 10.136 1.00 0.00 C ATOM 1422 C ARG A 92 3.835 -8.176 9.625 1.00 0.00 C ATOM 1423 O ARG A 92 4.239 -7.049 9.838 1.00 0.00 O ATOM 1424 CB ARG A 92 5.320 -10.077 8.969 1.00 0.00 C ATOM 1425 CG ARG A 92 6.390 -9.135 8.410 1.00 0.00 C ATOM 1426 CD ARG A 92 7.106 -9.809 7.236 1.00 0.00 C ATOM 1427 NE ARG A 92 8.253 -8.959 6.803 1.00 0.00 N ATOM 1428 CZ ARG A 92 8.810 -9.148 5.639 1.00 0.00 C ATOM 1429 NH1 ARG A 92 8.363 -10.077 4.838 1.00 0.00 N ATOM 1430 NH2 ARG A 92 9.818 -8.403 5.271 1.00 0.00 N ATOM 0 H ARG A 92 3.547 -11.267 10.212 1.00 0.00 H new ATOM 0 HA ARG A 92 5.304 -9.101 10.899 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.781 -11.006 9.304 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.609 -10.338 8.185 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.932 -8.202 8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.108 -8.881 9.190 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.461 -10.796 7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.413 -9.954 6.407 1.00 0.00 H new ATOM 0 HE ARG A 92 8.603 -8.226 7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.575 -10.659 5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.802 -10.221 3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.168 -7.675 5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.255 -8.549 4.361 1.00 0.00 H new ATOM 1444 N PHE A 93 2.743 -8.390 8.947 1.00 0.00 N ATOM 1445 CA PHE A 93 1.949 -7.250 8.410 1.00 0.00 C ATOM 1446 C PHE A 93 1.414 -6.393 9.557 1.00 0.00 C ATOM 1447 O PHE A 93 1.450 -5.179 9.508 1.00 0.00 O ATOM 1448 CB PHE A 93 0.783 -7.798 7.591 1.00 0.00 C ATOM 1449 CG PHE A 93 -0.059 -6.648 7.088 1.00 0.00 C ATOM 1450 CD1 PHE A 93 0.494 -5.714 6.203 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -1.390 -6.513 7.506 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -0.283 -4.649 5.735 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -2.165 -5.448 7.038 1.00 0.00 C ATOM 1454 CZ PHE A 93 -1.612 -4.516 6.153 1.00 0.00 C ATOM 0 H PHE A 93 2.363 -9.314 8.740 1.00 0.00 H new ATOM 0 HA PHE A 93 2.587 -6.631 7.779 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.157 -8.384 6.752 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.177 -8.467 8.202 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.520 -5.816 5.882 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.817 -7.232 8.190 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.143 -3.930 5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -3.191 -5.345 7.360 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.211 -3.693 5.792 1.00 0.00 H new ATOM 1464 N MET A 94 0.905 -7.013 10.582 1.00 0.00 N ATOM 1465 CA MET A 94 0.350 -6.236 11.726 1.00 0.00 C ATOM 1466 C MET A 94 1.440 -5.330 12.298 1.00 0.00 C ATOM 1467 O MET A 94 1.212 -4.176 12.593 1.00 0.00 O ATOM 1468 CB MET A 94 -0.117 -7.213 12.807 1.00 0.00 C ATOM 1469 CG MET A 94 -0.746 -6.442 13.969 1.00 0.00 C ATOM 1470 SD MET A 94 -1.361 -7.614 15.203 1.00 0.00 S ATOM 1471 CE MET A 94 -3.039 -7.774 14.547 1.00 0.00 C ATOM 0 H MET A 94 0.848 -8.027 10.679 1.00 0.00 H new ATOM 0 HA MET A 94 -0.489 -5.626 11.390 1.00 0.00 H new ATOM 0 HB2 MET A 94 -0.841 -7.912 12.389 1.00 0.00 H new ATOM 0 HB3 MET A 94 0.727 -7.803 13.165 1.00 0.00 H new ATOM 0 HG2 MET A 94 -0.010 -5.776 14.419 1.00 0.00 H new ATOM 0 HG3 MET A 94 -1.562 -5.817 13.606 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.608 -8.465 15.168 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.525 -6.799 14.550 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.996 -8.155 13.526 1.00 0.00 H new ATOM 1481 N ARG A 95 2.623 -5.847 12.454 1.00 0.00 N ATOM 1482 CA ARG A 95 3.735 -5.023 13.001 1.00 0.00 C ATOM 1483 C ARG A 95 4.078 -3.901 12.014 1.00 0.00 C ATOM 1484 O ARG A 95 4.391 -2.792 12.399 1.00 0.00 O ATOM 1485 CB ARG A 95 4.956 -5.919 13.209 1.00 0.00 C ATOM 1486 CG ARG A 95 4.696 -6.876 14.375 1.00 0.00 C ATOM 1487 CD ARG A 95 5.865 -7.854 14.504 1.00 0.00 C ATOM 1488 NE ARG A 95 7.113 -7.095 14.816 1.00 0.00 N ATOM 1489 CZ ARG A 95 7.420 -6.802 16.052 1.00 0.00 C ATOM 1490 NH1 ARG A 95 6.645 -7.181 17.032 1.00 0.00 N ATOM 1491 NH2 ARG A 95 8.506 -6.126 16.307 1.00 0.00 N ATOM 0 H ARG A 95 2.870 -6.810 12.225 1.00 0.00 H new ATOM 0 HA ARG A 95 3.436 -4.580 13.951 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.164 -6.484 12.301 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.836 -5.310 13.414 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.575 -6.313 15.301 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.767 -7.423 14.210 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.661 -8.580 15.291 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.989 -8.415 13.577 1.00 0.00 H new ATOM 0 HE ARG A 95 7.730 -6.803 14.058 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.795 -7.709 16.835 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.890 -6.949 17.995 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.112 -5.828 15.543 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.749 -5.895 17.270 1.00 0.00 H new ATOM 1505 N PHE A 96 4.039 -4.193 10.745 1.00 0.00 N ATOM 1506 CA PHE A 96 4.378 -3.161 9.716 1.00 0.00 C ATOM 1507 C PHE A 96 3.379 -2.001 9.777 1.00 0.00 C ATOM 1508 O PHE A 96 3.746 -0.845 9.745 1.00 0.00 O ATOM 1509 CB PHE A 96 4.300 -3.803 8.318 1.00 0.00 C ATOM 1510 CG PHE A 96 5.605 -4.484 7.963 1.00 0.00 C ATOM 1511 CD1 PHE A 96 6.317 -5.210 8.929 1.00 0.00 C ATOM 1512 CD2 PHE A 96 6.104 -4.386 6.658 1.00 0.00 C ATOM 1513 CE1 PHE A 96 7.520 -5.833 8.587 1.00 0.00 C ATOM 1514 CE2 PHE A 96 7.309 -5.010 6.319 1.00 0.00 C ATOM 1515 CZ PHE A 96 8.017 -5.735 7.284 1.00 0.00 C ATOM 0 H PHE A 96 3.786 -5.107 10.370 1.00 0.00 H new ATOM 0 HA PHE A 96 5.382 -2.784 9.911 1.00 0.00 H new ATOM 0 HB2 PHE A 96 3.487 -4.529 8.292 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.070 -3.039 7.575 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.936 -5.287 9.936 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.557 -3.828 5.912 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.068 -6.392 9.331 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.693 -4.932 5.313 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.947 -6.218 7.022 1.00 0.00 H new ATOM 1525 N MET A 97 2.119 -2.312 9.836 1.00 0.00 N ATOM 1526 CA MET A 97 1.080 -1.245 9.869 1.00 0.00 C ATOM 1527 C MET A 97 1.248 -0.431 11.121 1.00 0.00 C ATOM 1528 O MET A 97 1.060 0.765 11.157 1.00 0.00 O ATOM 1529 CB MET A 97 -0.298 -1.896 9.929 1.00 0.00 C ATOM 1530 CG MET A 97 -1.386 -0.815 10.013 1.00 0.00 C ATOM 1531 SD MET A 97 -1.649 -0.347 11.747 1.00 0.00 S ATOM 1532 CE MET A 97 -1.931 1.420 11.472 1.00 0.00 C ATOM 0 H MET A 97 1.759 -3.266 9.863 1.00 0.00 H new ATOM 0 HA MET A 97 1.178 -0.618 8.983 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.456 -2.515 9.046 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.361 -2.555 10.795 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.091 0.058 9.431 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.315 -1.186 9.581 1.00 0.00 H new ATOM 0 HE1 MET A 97 -1.869 1.950 12.422 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.174 1.808 10.790 1.00 0.00 H new ATOM 0 HE3 MET A 97 -2.920 1.567 11.038 1.00 0.00 H new ATOM 1542 N GLU A 98 1.550 -1.107 12.156 1.00 0.00 N ATOM 1543 CA GLU A 98 1.690 -0.451 13.473 1.00 0.00 C ATOM 1544 C GLU A 98 2.896 0.496 13.443 1.00 0.00 C ATOM 1545 O GLU A 98 2.803 1.624 13.876 1.00 0.00 O ATOM 1546 CB GLU A 98 1.879 -1.606 14.474 1.00 0.00 C ATOM 1547 CG GLU A 98 1.624 -1.263 15.982 1.00 0.00 C ATOM 1548 CD GLU A 98 2.833 -1.723 16.789 1.00 0.00 C ATOM 1549 OE1 GLU A 98 3.772 -0.961 16.885 1.00 0.00 O ATOM 1550 OE2 GLU A 98 2.852 -2.877 17.195 1.00 0.00 O ATOM 0 H GLU A 98 1.713 -2.114 12.159 1.00 0.00 H new ATOM 0 HA GLU A 98 0.829 0.158 13.749 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.211 -2.419 14.190 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.897 -1.982 14.375 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.470 -0.191 16.107 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.720 -1.758 16.336 1.00 0.00 H new ATOM 1557 N ARG A 99 4.013 0.064 12.919 1.00 0.00 N ATOM 1558 CA ARG A 99 5.203 0.956 12.858 1.00 0.00 C ATOM 1559 C ARG A 99 4.892 2.146 11.952 1.00 0.00 C ATOM 1560 O ARG A 99 5.236 3.278 12.245 1.00 0.00 O ATOM 1561 CB ARG A 99 6.379 0.169 12.276 1.00 0.00 C ATOM 1562 CG ARG A 99 6.879 -0.850 13.304 1.00 0.00 C ATOM 1563 CD ARG A 99 7.997 -1.687 12.685 1.00 0.00 C ATOM 1564 NE ARG A 99 8.504 -2.654 13.699 1.00 0.00 N ATOM 1565 CZ ARG A 99 9.384 -3.559 13.365 1.00 0.00 C ATOM 1566 NH1 ARG A 99 9.837 -3.617 12.143 1.00 0.00 N ATOM 1567 NH2 ARG A 99 9.812 -4.406 14.260 1.00 0.00 N ATOM 0 H ARG A 99 4.150 -0.869 12.531 1.00 0.00 H new ATOM 0 HA ARG A 99 5.454 1.314 13.856 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.071 -0.342 11.364 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.185 0.850 12.003 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.244 -0.337 14.194 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.060 -1.495 13.621 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.626 -2.220 11.810 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.806 -1.040 12.345 1.00 0.00 H new ATOM 0 HE ARG A 99 8.162 -2.609 14.659 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.504 -2.954 11.444 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.524 -4.326 11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.459 -4.360 15.216 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.499 -5.115 14.004 1.00 0.00 H new ATOM 1581 N TYR A 100 4.247 1.895 10.854 1.00 0.00 N ATOM 1582 CA TYR A 100 3.901 2.995 9.917 1.00 0.00 C ATOM 1583 C TYR A 100 2.936 3.959 10.609 1.00 0.00 C ATOM 1584 O TYR A 100 3.079 5.162 10.536 1.00 0.00 O ATOM 1585 CB TYR A 100 3.235 2.407 8.671 1.00 0.00 C ATOM 1586 CG TYR A 100 3.085 3.485 7.628 1.00 0.00 C ATOM 1587 CD1 TYR A 100 4.122 3.724 6.721 1.00 0.00 C ATOM 1588 CD2 TYR A 100 1.911 4.248 7.565 1.00 0.00 C ATOM 1589 CE1 TYR A 100 3.990 4.723 5.750 1.00 0.00 C ATOM 1590 CE2 TYR A 100 1.779 5.249 6.595 1.00 0.00 C ATOM 1591 CZ TYR A 100 2.818 5.486 5.688 1.00 0.00 C ATOM 1592 OH TYR A 100 2.687 6.473 4.731 1.00 0.00 O ATOM 0 H TYR A 100 3.941 0.967 10.561 1.00 0.00 H new ATOM 0 HA TYR A 100 4.804 3.531 9.626 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.835 1.586 8.278 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.259 1.995 8.927 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.027 3.136 6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.109 4.064 8.264 1.00 0.00 H new ATOM 0 HE1 TYR A 100 4.791 4.905 5.049 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.875 5.838 6.547 1.00 0.00 H new ATOM 0 HH TYR A 100 2.551 7.338 5.170 1.00 0.00 H new ATOM 1602 N GLY A 101 1.946 3.432 11.281 1.00 0.00 N ATOM 1603 CA GLY A 101 0.959 4.307 11.981 1.00 0.00 C ATOM 1604 C GLY A 101 1.667 5.096 13.085 1.00 0.00 C ATOM 1605 O GLY A 101 1.336 6.233 13.358 1.00 0.00 O ATOM 0 H GLY A 101 1.778 2.430 11.375 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.496 4.992 11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.159 3.702 12.408 1.00 0.00 H new ATOM 1609 N ALA A 102 2.637 4.504 13.721 1.00 0.00 N ATOM 1610 CA ALA A 102 3.368 5.220 14.805 1.00 0.00 C ATOM 1611 C ALA A 102 4.104 6.426 14.214 1.00 0.00 C ATOM 1612 O ALA A 102 4.183 7.478 14.820 1.00 0.00 O ATOM 1613 CB ALA A 102 4.382 4.266 15.435 1.00 0.00 C ATOM 0 H ALA A 102 2.957 3.553 13.538 1.00 0.00 H new ATOM 0 HA ALA A 102 2.662 5.562 15.562 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.922 4.781 16.229 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.861 3.404 15.851 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.088 3.931 14.675 1.00 0.00 H new ATOM 1619 N GLU A 103 4.648 6.278 13.038 1.00 0.00 N ATOM 1620 CA GLU A 103 5.385 7.406 12.401 1.00 0.00 C ATOM 1621 C GLU A 103 4.408 8.518 12.014 1.00 0.00 C ATOM 1622 O GLU A 103 4.720 9.689 12.107 1.00 0.00 O ATOM 1623 CB GLU A 103 6.100 6.893 11.150 1.00 0.00 C ATOM 1624 CG GLU A 103 7.217 5.935 11.565 1.00 0.00 C ATOM 1625 CD GLU A 103 7.874 5.341 10.319 1.00 0.00 C ATOM 1626 OE1 GLU A 103 7.493 5.735 9.228 1.00 0.00 O ATOM 1627 OE2 GLU A 103 8.745 4.502 10.476 1.00 0.00 O ATOM 0 H GLU A 103 4.614 5.420 12.488 1.00 0.00 H new ATOM 0 HA GLU A 103 6.114 7.806 13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.393 6.384 10.496 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.513 7.728 10.584 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.960 6.464 12.163 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.813 5.139 12.190 1.00 0.00 H new ATOM 1634 N ASN A 104 3.223 8.165 11.584 1.00 0.00 N ATOM 1635 CA ASN A 104 2.217 9.204 11.194 1.00 0.00 C ATOM 1636 C ASN A 104 0.832 8.770 11.679 1.00 0.00 C ATOM 1637 O ASN A 104 0.051 8.196 10.946 1.00 0.00 O ATOM 1638 CB ASN A 104 2.217 9.377 9.670 1.00 0.00 C ATOM 1639 CG ASN A 104 2.219 8.009 8.983 1.00 0.00 C ATOM 1640 OD1 ASN A 104 1.661 7.058 9.493 1.00 0.00 O ATOM 1641 ND2 ASN A 104 2.828 7.873 7.837 1.00 0.00 N ATOM 0 H ASN A 104 2.907 7.200 11.485 1.00 0.00 H new ATOM 0 HA ASN A 104 2.475 10.158 11.654 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.340 9.946 9.361 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.092 9.948 9.361 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.836 6.967 7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.296 8.672 7.410 1.00 0.00 H new