USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 379 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 46 TYR OH : rot -104:sc= 0.268 USER MOD Set 1.2: A 50 MET CE :methyl -174:sc= -0.188 (180deg=-0.257) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc=-0.00527 X(o=-0.0053,f=-0.26) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 13 SER OG : rot 72:sc= 0.948 USER MOD Single : A 14 GLN : amide:sc=-0.00595 X(o=-0.0059,f=-0.014) USER MOD Single : A 15 THR OG1 : rot -73:sc= 1.04 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 20 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.3) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.22) USER MOD Single : A 34 GLN : amide:sc= 0.928 K(o=0.93,f=-0.59) USER MOD Single : A 35 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.24) USER MOD Single : A 40 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.063) USER MOD Single : A 42 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.22) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HE2:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 47 GLN : amide:sc= -0.0908 X(o=-0.091,f=-0.091) USER MOD Single : A 48 GLN : amide:sc=-0.00947 X(o=-0.0095,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 4.209 0.138 -4.855 1.00 25.00 N ATOM 54 CA LYS A 4 4.375 1.435 -5.548 1.00 25.00 C ATOM 55 C LYS A 4 3.869 1.397 -7.000 1.00 25.00 C ATOM 56 O LYS A 4 3.287 2.362 -7.481 1.00 25.00 O ATOM 57 CB LYS A 4 5.832 1.898 -5.507 1.00 25.00 C ATOM 58 CG LYS A 4 6.221 2.531 -4.144 1.00 25.00 C ATOM 59 CD LYS A 4 7.184 1.681 -3.324 1.00 25.00 C ATOM 60 CE LYS A 4 8.621 1.891 -3.791 1.00 25.00 C ATOM 61 NZ LYS A 4 9.567 1.028 -3.034 1.00 25.00 N ATOM 0 HA LYS A 4 3.760 2.155 -5.008 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.485 1.049 -5.708 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.001 2.625 -6.302 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.674 3.506 -4.323 1.00 25.00 H new ATOM 0 HG3 LYS A 4 5.316 2.702 -3.562 1.00 25.00 H new ATOM 0 HD2 LYS A 4 7.098 1.941 -2.269 1.00 25.00 H new ATOM 0 HD3 LYS A 4 6.917 0.628 -3.416 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.696 1.669 -4.856 1.00 25.00 H new ATOM 0 HE3 LYS A 4 8.898 2.937 -3.663 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.536 1.193 -3.374 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 9.512 1.257 -2.021 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 9.316 0.029 -3.177 1.00 25.00 H new ATOM 75 N GLN A 5 4.053 0.280 -7.692 1.00 25.00 N ATOM 76 CA GLN A 5 3.605 0.137 -9.076 1.00 25.00 C ATOM 77 C GLN A 5 2.084 0.055 -9.177 1.00 25.00 C ATOM 78 O GLN A 5 1.494 0.400 -10.193 1.00 25.00 O ATOM 79 CB GLN A 5 4.224 -1.118 -9.698 1.00 25.00 C ATOM 80 CG GLN A 5 5.711 -0.935 -10.010 1.00 25.00 C ATOM 81 CD GLN A 5 6.252 -2.048 -10.889 1.00 25.00 C ATOM 82 OE1 GLN A 5 6.515 -3.137 -10.416 1.00 25.00 O ATOM 83 NE2 GLN A 5 6.364 -1.788 -12.176 1.00 25.00 N ATOM 0 H GLN A 5 4.513 -0.549 -7.315 1.00 25.00 H new ATOM 0 HA GLN A 5 3.932 1.024 -9.619 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.098 -1.959 -9.016 1.00 25.00 H new ATOM 0 HB3 GLN A 5 3.690 -1.368 -10.615 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.861 0.024 -10.506 1.00 25.00 H new ATOM 0 HG3 GLN A 5 6.275 -0.903 -9.078 1.00 25.00 H new ATOM 0 HE21 GLN A 5 6.133 -0.860 -12.531 1.00 25.00 H new ATOM 0 HE22 GLN A 5 6.682 -2.515 -12.817 1.00 25.00 H new ATOM 92 N GLN A 6 1.456 -0.382 -8.098 1.00 25.00 N ATOM 93 CA GLN A 6 -0.010 -0.470 -8.064 1.00 25.00 C ATOM 94 C GLN A 6 -0.548 0.945 -8.245 1.00 25.00 C ATOM 95 O GLN A 6 -1.499 1.164 -8.958 1.00 25.00 O ATOM 96 CB GLN A 6 -0.517 -1.038 -6.722 1.00 25.00 C ATOM 97 CG GLN A 6 -0.193 -2.515 -6.509 1.00 25.00 C ATOM 98 CD GLN A 6 -1.089 -3.418 -7.317 1.00 25.00 C ATOM 99 OE1 GLN A 6 -2.291 -3.279 -7.298 1.00 25.00 O ATOM 100 NE2 GLN A 6 -0.510 -4.356 -8.022 1.00 25.00 N ATOM 0 H GLN A 6 1.922 -0.680 -7.241 1.00 25.00 H new ATOM 0 HA GLN A 6 -0.353 -1.141 -8.852 1.00 25.00 H new ATOM 0 HB2 GLN A 6 -0.081 -0.460 -5.907 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.597 -0.902 -6.667 1.00 25.00 H new ATOM 0 HG2 GLN A 6 0.846 -2.700 -6.781 1.00 25.00 H new ATOM 0 HG3 GLN A 6 -0.294 -2.758 -5.451 1.00 25.00 H new ATOM 0 HE21 GLN A 6 0.506 -4.445 -8.015 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -1.075 -4.998 -8.578 1.00 25.00 H new ATOM 109 N ILE A 7 0.113 1.911 -7.613 1.00 25.00 N ATOM 110 CA ILE A 7 -0.278 3.300 -7.702 1.00 25.00 C ATOM 111 C ILE A 7 -0.073 3.829 -9.141 1.00 25.00 C ATOM 112 O ILE A 7 -0.925 4.520 -9.693 1.00 25.00 O ATOM 113 CB ILE A 7 0.528 4.180 -6.691 1.00 25.00 C ATOM 114 CG1 ILE A 7 0.464 3.570 -5.273 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.017 5.622 -6.703 1.00 25.00 C ATOM 116 CD1 ILE A 7 1.500 4.094 -4.283 1.00 25.00 C ATOM 0 H ILE A 7 0.932 1.745 -7.028 1.00 25.00 H new ATOM 0 HA ILE A 7 -1.336 3.365 -7.446 1.00 25.00 H new ATOM 0 HB ILE A 7 1.573 4.198 -7.000 1.00 25.00 H new ATOM 0 HG12 ILE A 7 -0.529 3.753 -4.863 1.00 25.00 H new ATOM 0 HG13 ILE A 7 0.581 2.489 -5.356 1.00 25.00 H new ATOM 0 HG21 ILE A 7 0.591 6.217 -5.993 1.00 25.00 H new ATOM 0 HG22 ILE A 7 0.131 6.040 -7.703 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -1.036 5.637 -6.422 1.00 25.00 H new ATOM 0 HD11 ILE A 7 1.366 3.600 -3.321 1.00 25.00 H new ATOM 0 HD12 ILE A 7 2.501 3.887 -4.661 1.00 25.00 H new ATOM 0 HD13 ILE A 7 1.374 5.170 -4.160 1.00 25.00 H new ATOM 128 N MET A 8 1.059 3.473 -9.740 1.00 25.00 N ATOM 129 CA MET A 8 1.382 3.943 -11.090 1.00 25.00 C ATOM 130 C MET A 8 0.347 3.454 -12.084 1.00 25.00 C ATOM 131 O MET A 8 -0.090 4.206 -12.934 1.00 25.00 O ATOM 132 CB MET A 8 2.771 3.436 -11.548 1.00 25.00 C ATOM 133 CG MET A 8 3.909 3.930 -10.673 1.00 25.00 C ATOM 134 SD MET A 8 5.524 3.241 -11.149 1.00 25.00 S ATOM 135 CE MET A 8 5.971 4.316 -12.557 1.00 25.00 C ATOM 0 H MET A 8 1.764 2.867 -9.320 1.00 25.00 H new ATOM 0 HA MET A 8 1.388 5.032 -11.056 1.00 25.00 H new ATOM 0 HB2 MET A 8 2.770 2.346 -11.549 1.00 25.00 H new ATOM 0 HB3 MET A 8 2.946 3.756 -12.575 1.00 25.00 H new ATOM 0 HG2 MET A 8 3.955 5.018 -10.726 1.00 25.00 H new ATOM 0 HG3 MET A 8 3.701 3.670 -9.635 1.00 25.00 H new ATOM 0 HE1 MET A 8 6.940 4.012 -12.953 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.215 4.226 -13.338 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.025 5.352 -12.221 1.00 25.00 H new ATOM 145 N ALA A 9 -0.109 2.217 -11.926 1.00 25.00 N ATOM 146 CA ALA A 9 -1.134 1.648 -12.811 1.00 25.00 C ATOM 147 C ALA A 9 -2.503 2.368 -12.675 1.00 25.00 C ATOM 148 O ALA A 9 -3.196 2.585 -13.661 1.00 25.00 O ATOM 149 CB ALA A 9 -1.307 0.142 -12.507 1.00 25.00 C ATOM 0 H ALA A 9 0.212 1.583 -11.194 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.792 1.790 -13.836 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -2.068 -0.277 -13.165 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.361 -0.374 -12.672 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.614 0.013 -11.469 1.00 25.00 H new ATOM 155 N ALA A 10 -2.823 2.764 -11.451 1.00 25.00 N ATOM 156 CA ALA A 10 -4.050 3.505 -11.181 1.00 25.00 C ATOM 157 C ALA A 10 -3.981 4.857 -11.922 1.00 25.00 C ATOM 158 O ALA A 10 -4.950 5.274 -12.588 1.00 25.00 O ATOM 159 CB ALA A 10 -4.245 3.725 -9.669 1.00 25.00 C ATOM 0 H ALA A 10 -2.250 2.585 -10.627 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.905 2.930 -11.537 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -5.167 4.280 -9.498 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -4.303 2.760 -9.165 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -3.402 4.291 -9.272 1.00 25.00 H new ATOM 165 N LEU A 11 -2.842 5.529 -11.811 1.00 25.00 N ATOM 166 CA LEU A 11 -2.619 6.788 -12.497 1.00 25.00 C ATOM 167 C LEU A 11 -2.607 6.635 -14.014 1.00 25.00 C ATOM 168 O LEU A 11 -3.084 7.499 -14.712 1.00 25.00 O ATOM 169 CB LEU A 11 -1.285 7.401 -12.046 1.00 25.00 C ATOM 170 CG LEU A 11 -1.195 7.798 -10.559 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.229 8.192 -10.198 1.00 25.00 C ATOM 172 CD2 LEU A 11 -2.163 8.939 -10.183 1.00 25.00 C ATOM 0 H LEU A 11 -2.053 5.216 -11.245 1.00 25.00 H new ATOM 0 HA LEU A 11 -3.450 7.442 -12.234 1.00 25.00 H new ATOM 0 HB2 LEU A 11 -0.489 6.688 -12.261 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -1.091 8.287 -12.651 1.00 25.00 H new ATOM 0 HG LEU A 11 -1.492 6.920 -9.986 1.00 25.00 H new ATOM 0 HD11 LEU A 11 0.274 8.469 -9.145 1.00 25.00 H new ATOM 0 HD12 LEU A 11 0.897 7.350 -10.380 1.00 25.00 H new ATOM 0 HD13 LEU A 11 0.538 9.040 -10.810 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -2.054 9.175 -9.124 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.932 9.823 -10.777 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -3.188 8.627 -10.382 1.00 25.00 H new ATOM 184 N ASN A 12 -2.045 5.559 -14.522 1.00 25.00 N ATOM 185 CA ASN A 12 -1.970 5.363 -15.975 1.00 25.00 C ATOM 186 C ASN A 12 -3.373 5.202 -16.528 1.00 25.00 C ATOM 187 O ASN A 12 -3.716 5.744 -17.565 1.00 25.00 O ATOM 188 CB ASN A 12 -1.099 4.129 -16.310 1.00 25.00 C ATOM 189 CG ASN A 12 0.403 4.358 -16.004 1.00 25.00 C ATOM 190 OD1 ASN A 12 0.738 5.527 -15.536 1.00 25.00 O flip ATOM 191 ND2 ASN A 12 1.243 3.476 -16.187 1.00 25.00 N flip ATOM 0 H ASN A 12 -1.634 4.808 -13.967 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.503 6.233 -16.437 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.456 3.272 -15.739 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.217 3.881 -17.365 1.00 25.00 H new ATOM 0 HD21 ASN A 12 0.958 2.568 -16.554 1.00 25.00 H new ATOM 0 HD22 ASN A 12 2.224 3.653 -15.971 1.00 25.00 H new ATOM 198 N SER A 13 -4.231 4.560 -15.751 1.00 25.00 N ATOM 199 CA SER A 13 -5.632 4.392 -16.105 1.00 25.00 C ATOM 200 C SER A 13 -6.364 5.739 -16.115 1.00 25.00 C ATOM 201 O SER A 13 -7.189 5.979 -16.983 1.00 25.00 O ATOM 202 CB SER A 13 -6.323 3.439 -15.109 1.00 25.00 C ATOM 203 OG SER A 13 -5.649 2.193 -15.038 1.00 25.00 O ATOM 0 H SER A 13 -3.976 4.141 -14.857 1.00 25.00 H new ATOM 0 HA SER A 13 -5.675 3.965 -17.107 1.00 25.00 H new ATOM 0 HB2 SER A 13 -6.349 3.898 -14.121 1.00 25.00 H new ATOM 0 HB3 SER A 13 -7.357 3.279 -15.413 1.00 25.00 H new ATOM 0 HG SER A 13 -4.797 2.308 -14.567 1.00 25.00 H new ATOM 209 N GLN A 14 -6.024 6.605 -15.163 1.00 25.00 N ATOM 210 CA GLN A 14 -6.638 7.939 -15.028 1.00 25.00 C ATOM 211 C GLN A 14 -6.155 8.928 -16.073 1.00 25.00 C ATOM 212 O GLN A 14 -6.775 9.970 -16.245 1.00 25.00 O ATOM 213 CB GLN A 14 -6.302 8.487 -13.646 1.00 25.00 C ATOM 214 CG GLN A 14 -7.076 7.854 -12.506 1.00 25.00 C ATOM 215 CD GLN A 14 -8.546 8.262 -12.490 1.00 25.00 C ATOM 216 OE1 GLN A 14 -8.887 9.434 -12.470 1.00 25.00 O ATOM 217 NE2 GLN A 14 -9.419 7.291 -12.484 1.00 25.00 N ATOM 0 H GLN A 14 -5.314 6.408 -14.458 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.712 7.819 -15.170 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -5.236 8.348 -13.465 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.489 9.561 -13.641 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -7.006 6.769 -12.584 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.615 8.136 -11.559 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -9.103 6.321 -12.501 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -10.417 7.502 -12.462 1.00 25.00 H new ATOM 226 N THR A 15 -5.049 8.639 -16.751 1.00 25.00 N ATOM 227 CA THR A 15 -4.456 9.600 -17.704 1.00 25.00 C ATOM 228 C THR A 15 -4.277 9.048 -19.090 1.00 25.00 C ATOM 229 O THR A 15 -3.791 9.759 -19.956 1.00 25.00 O ATOM 230 CB THR A 15 -3.064 10.052 -17.209 1.00 25.00 C ATOM 231 OG1 THR A 15 -2.243 8.890 -17.008 1.00 25.00 O ATOM 232 CG2 THR A 15 -3.147 10.794 -15.872 1.00 25.00 C ATOM 0 H THR A 15 -4.541 7.758 -16.667 1.00 25.00 H new ATOM 0 HA THR A 15 -5.163 10.428 -17.753 1.00 25.00 H new ATOM 0 HB THR A 15 -2.647 10.722 -17.961 1.00 25.00 H new ATOM 0 HG1 THR A 15 -2.542 8.413 -16.206 1.00 25.00 H new ATOM 0 HG21 THR A 15 -2.147 11.094 -15.560 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.773 11.679 -15.985 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.581 10.137 -15.118 1.00 25.00 H new ATOM 240 N ALA A 16 -4.671 7.801 -19.316 1.00 25.00 N ATOM 241 CA ALA A 16 -4.408 7.092 -20.579 1.00 25.00 C ATOM 242 C ALA A 16 -4.792 7.918 -21.825 1.00 25.00 C ATOM 243 O ALA A 16 -3.995 8.070 -22.735 1.00 25.00 O ATOM 244 CB ALA A 16 -5.160 5.743 -20.584 1.00 25.00 C ATOM 0 H ALA A 16 -5.184 7.245 -18.632 1.00 25.00 H new ATOM 0 HA ALA A 16 -3.333 6.923 -20.635 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.963 5.220 -21.520 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.817 5.132 -19.749 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -6.231 5.923 -20.487 1.00 25.00 H new ATOM 250 N VAL A 17 -6.021 8.427 -21.857 1.00 25.00 N ATOM 251 CA VAL A 17 -6.490 9.184 -23.024 1.00 25.00 C ATOM 252 C VAL A 17 -5.976 10.637 -23.034 1.00 25.00 C ATOM 253 O VAL A 17 -5.667 11.190 -24.086 1.00 25.00 O ATOM 254 CB VAL A 17 -8.054 9.118 -23.124 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.720 9.945 -22.049 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.530 9.514 -24.533 1.00 25.00 C ATOM 0 H VAL A 17 -6.703 8.334 -21.104 1.00 25.00 H new ATOM 0 HA VAL A 17 -6.069 8.712 -23.912 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.355 8.085 -22.953 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.803 9.873 -22.153 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.424 9.573 -21.068 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.414 10.986 -22.150 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.618 9.461 -24.578 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -8.207 10.531 -24.754 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -8.103 8.831 -25.267 1.00 25.00 H new ATOM 266 N GLN A 18 -5.797 11.226 -21.861 1.00 25.00 N ATOM 267 CA GLN A 18 -5.281 12.598 -21.790 1.00 25.00 C ATOM 268 C GLN A 18 -3.863 12.655 -22.329 1.00 25.00 C ATOM 269 O GLN A 18 -3.503 13.547 -23.090 1.00 25.00 O ATOM 270 CB GLN A 18 -5.287 13.099 -20.337 1.00 25.00 C ATOM 271 CG GLN A 18 -6.481 14.006 -19.994 1.00 25.00 C ATOM 272 CD GLN A 18 -7.811 13.308 -20.054 1.00 25.00 C ATOM 273 OE1 GLN A 18 -7.981 12.223 -19.534 1.00 25.00 O ATOM 274 NE2 GLN A 18 -8.776 13.933 -20.695 1.00 25.00 N ATOM 0 H GLN A 18 -5.994 10.792 -20.959 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.926 13.235 -22.394 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.292 12.239 -19.667 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.363 13.645 -20.148 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -6.340 14.413 -18.993 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -6.493 14.851 -20.683 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -8.600 14.843 -21.120 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -9.700 13.507 -20.766 1.00 25.00 H new ATOM 283 N PHE A 19 -3.063 11.672 -21.957 1.00 25.00 N ATOM 284 CA PHE A 19 -1.689 11.602 -22.408 1.00 25.00 C ATOM 285 C PHE A 19 -1.582 11.187 -23.867 1.00 25.00 C ATOM 286 O PHE A 19 -0.668 11.619 -24.555 1.00 25.00 O ATOM 287 CB PHE A 19 -0.886 10.641 -21.524 1.00 25.00 C ATOM 288 CG PHE A 19 -0.585 11.189 -20.126 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.881 12.520 -19.743 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.026 10.351 -19.173 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.587 12.992 -18.440 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.355 10.807 -17.883 1.00 25.00 C ATOM 293 CZ PHE A 19 0.042 12.136 -17.517 1.00 25.00 C ATOM 0 H PHE A 19 -3.345 10.909 -21.341 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.271 12.605 -22.324 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.438 9.706 -21.426 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.055 10.405 -22.022 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.339 13.188 -20.458 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.249 9.328 -19.440 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.844 14.002 -18.157 1.00 25.00 H new ATOM 0 HE2 PHE A 19 0.842 10.148 -17.179 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.286 12.495 -16.528 1.00 25.00 H new ATOM 303 N GLN A 20 -2.546 10.435 -24.378 1.00 25.00 N ATOM 304 CA GLN A 20 -2.580 10.134 -25.807 1.00 25.00 C ATOM 305 C GLN A 20 -2.866 11.383 -26.623 1.00 25.00 C ATOM 306 O GLN A 20 -2.160 11.639 -27.580 1.00 25.00 O ATOM 307 CB GLN A 20 -3.612 9.028 -26.115 1.00 25.00 C ATOM 308 CG GLN A 20 -3.277 8.184 -27.399 1.00 25.00 C ATOM 309 CD GLN A 20 -3.437 8.930 -28.690 1.00 25.00 C ATOM 310 OE1 GLN A 20 -4.430 9.609 -28.905 1.00 25.00 O ATOM 311 NE2 GLN A 20 -2.465 8.826 -29.555 1.00 25.00 N ATOM 0 H GLN A 20 -3.307 10.026 -23.836 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.595 9.765 -26.093 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.678 8.357 -25.258 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.594 9.485 -26.238 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -2.250 7.825 -27.326 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -3.921 7.305 -27.419 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -1.651 8.250 -29.341 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -2.519 9.321 -30.445 1.00 25.00 H new ATOM 320 N GLN A 21 -3.836 12.195 -26.231 1.00 25.00 N ATOM 321 CA GLN A 21 -4.090 13.431 -26.961 1.00 25.00 C ATOM 322 C GLN A 21 -2.885 14.347 -26.903 1.00 25.00 C ATOM 323 O GLN A 21 -2.538 14.960 -27.899 1.00 25.00 O ATOM 324 CB GLN A 21 -5.282 14.164 -26.362 1.00 25.00 C ATOM 325 CG GLN A 21 -6.592 13.442 -26.596 1.00 25.00 C ATOM 326 CD GLN A 21 -7.591 14.331 -27.320 1.00 25.00 C ATOM 327 OE1 GLN A 21 -8.054 15.332 -26.784 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.905 13.986 -28.552 1.00 25.00 N ATOM 0 H GLN A 21 -4.448 12.029 -25.432 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.297 13.166 -27.998 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -5.126 14.287 -25.290 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.341 15.164 -26.792 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.413 12.540 -27.182 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -7.010 13.124 -25.641 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -7.500 13.146 -28.965 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -8.553 14.559 -29.093 1.00 25.00 H new ATOM 337 N TYR A 22 -2.225 14.392 -25.739 1.00 25.00 N ATOM 338 CA TYR A 22 -1.020 15.213 -25.565 1.00 25.00 C ATOM 339 C TYR A 22 0.124 14.748 -26.434 1.00 25.00 C ATOM 340 O TYR A 22 0.779 15.546 -27.074 1.00 25.00 O ATOM 341 CB TYR A 22 -0.560 15.190 -24.102 1.00 25.00 C ATOM 342 CG TYR A 22 0.651 16.058 -23.842 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.960 15.526 -23.989 1.00 25.00 C ATOM 344 CD2 TYR A 22 0.511 17.404 -23.426 1.00 25.00 C ATOM 345 CE1 TYR A 22 3.099 16.332 -23.736 1.00 25.00 C ATOM 346 CE2 TYR A 22 1.633 18.206 -23.180 1.00 25.00 C ATOM 347 CZ TYR A 22 2.916 17.675 -23.323 1.00 25.00 C ATOM 348 OH TYR A 22 4.003 18.469 -23.096 1.00 25.00 O ATOM 0 H TYR A 22 -2.503 13.872 -24.907 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.292 16.225 -25.863 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.380 15.522 -23.465 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.331 14.163 -23.817 1.00 25.00 H new ATOM 0 HD1 TYR A 22 2.089 14.499 -24.296 1.00 25.00 H new ATOM 0 HD2 TYR A 22 -0.477 17.819 -23.296 1.00 25.00 H new ATOM 0 HE1 TYR A 22 4.093 15.927 -23.857 1.00 25.00 H new ATOM 0 HE2 TYR A 22 1.505 19.235 -22.880 1.00 25.00 H new ATOM 0 HH TYR A 22 3.705 19.361 -22.820 1.00 25.00 H new ATOM 358 N ALA A 23 0.360 13.457 -26.486 1.00 25.00 N ATOM 359 CA ALA A 23 1.437 12.905 -27.302 1.00 25.00 C ATOM 360 C ALA A 23 1.155 13.139 -28.801 1.00 25.00 C ATOM 361 O ALA A 23 2.067 13.353 -29.625 1.00 25.00 O ATOM 362 CB ALA A 23 1.600 11.400 -27.001 1.00 25.00 C ATOM 0 H ALA A 23 -0.178 12.759 -25.972 1.00 25.00 H new ATOM 0 HA ALA A 23 2.368 13.414 -27.054 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.405 10.992 -27.612 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.840 11.264 -25.947 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.670 10.880 -27.231 1.00 25.00 H new ATOM 368 N ALA A 24 -0.117 13.136 -29.165 1.00 25.00 N ATOM 369 CA ALA A 24 -0.482 13.336 -30.547 1.00 25.00 C ATOM 370 C ALA A 24 -0.141 14.784 -30.958 1.00 25.00 C ATOM 371 O ALA A 24 0.176 15.052 -32.101 1.00 25.00 O ATOM 372 CB ALA A 24 -1.988 12.998 -30.734 1.00 25.00 C ATOM 0 H ALA A 24 -0.901 12.999 -28.528 1.00 25.00 H new ATOM 0 HA ALA A 24 0.083 12.671 -31.199 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.268 13.148 -31.777 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.165 11.959 -30.457 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.589 13.650 -30.100 1.00 25.00 H new ATOM 378 N GLN A 25 -0.177 15.671 -29.974 1.00 25.00 N ATOM 379 CA GLN A 25 0.111 17.081 -30.199 1.00 25.00 C ATOM 380 C GLN A 25 1.608 17.366 -30.337 1.00 25.00 C ATOM 381 O GLN A 25 2.016 18.417 -30.834 1.00 25.00 O ATOM 382 CB GLN A 25 -0.451 17.875 -29.007 1.00 25.00 C ATOM 383 CG GLN A 25 -0.816 19.307 -29.312 1.00 25.00 C ATOM 384 CD GLN A 25 -1.369 19.989 -28.094 1.00 25.00 C ATOM 385 OE1 GLN A 25 -0.635 20.577 -27.317 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.652 19.882 -27.898 1.00 25.00 N ATOM 0 H GLN A 25 -0.404 15.438 -29.007 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.354 17.379 -31.139 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.337 17.362 -28.633 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.286 17.866 -28.204 1.00 25.00 H new ATOM 0 HG2 GLN A 25 0.064 19.844 -29.666 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.552 19.336 -30.116 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -3.231 19.382 -28.572 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -3.078 20.299 -27.070 1.00 25.00 H new ATOM 395 N GLN A 26 2.417 16.425 -29.863 1.00 25.00 N ATOM 396 CA GLN A 26 3.873 16.551 -29.883 1.00 25.00 C ATOM 397 C GLN A 26 4.478 15.821 -31.064 1.00 25.00 C ATOM 398 O GLN A 26 5.345 16.348 -31.762 1.00 25.00 O ATOM 399 CB GLN A 26 4.450 15.948 -28.577 1.00 25.00 C ATOM 400 CG GLN A 26 4.048 16.704 -27.310 1.00 25.00 C ATOM 401 CD GLN A 26 4.768 18.030 -27.136 1.00 25.00 C ATOM 402 OE1 GLN A 26 5.980 18.118 -27.315 1.00 25.00 O ATOM 403 NE2 GLN A 26 4.046 19.042 -26.769 1.00 25.00 N ATOM 0 H GLN A 26 2.084 15.552 -29.454 1.00 25.00 H new ATOM 0 HA GLN A 26 4.121 17.609 -29.968 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.119 14.913 -28.490 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.538 15.930 -28.647 1.00 25.00 H new ATOM 0 HG2 GLN A 26 2.973 16.884 -27.331 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.249 16.075 -26.443 1.00 25.00 H new ATOM 0 HE21 GLN A 26 3.042 18.929 -26.631 1.00 25.00 H new ATOM 0 HE22 GLN A 26 4.482 19.952 -26.619 1.00 25.00 H new ATOM 412 N TYR A 27 4.020 14.599 -31.299 1.00 25.00 N ATOM 413 CA TYR A 27 4.488 13.775 -32.419 1.00 25.00 C ATOM 414 C TYR A 27 3.313 13.318 -33.291 1.00 25.00 C ATOM 415 O TYR A 27 2.967 12.140 -33.282 1.00 25.00 O ATOM 416 CB TYR A 27 5.234 12.530 -31.912 1.00 25.00 C ATOM 417 CG TYR A 27 6.433 12.844 -31.047 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.379 13.803 -31.459 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.645 12.181 -29.801 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.511 14.126 -30.646 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.779 12.485 -29.001 1.00 25.00 C ATOM 422 CZ TYR A 27 8.707 13.460 -29.433 1.00 25.00 C ATOM 423 OH TYR A 27 9.806 13.764 -28.659 1.00 25.00 O ATOM 0 H TYR A 27 3.313 14.145 -30.721 1.00 25.00 H new ATOM 0 HA TYR A 27 5.165 14.391 -33.010 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.541 11.910 -31.344 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.561 11.940 -32.769 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.247 14.304 -32.407 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.936 11.440 -29.463 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.212 14.882 -30.968 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.932 11.971 -28.063 1.00 25.00 H new ATOM 0 HH TYR A 27 9.797 13.215 -27.847 1.00 25.00 H new ATOM 433 N PRO A 28 2.649 14.251 -34.018 1.00 25.00 N ATOM 434 CA PRO A 28 1.476 13.786 -34.778 1.00 25.00 C ATOM 435 C PRO A 28 1.813 12.816 -35.891 1.00 25.00 C ATOM 436 O PRO A 28 2.820 12.991 -36.542 1.00 25.00 O ATOM 437 CB PRO A 28 0.888 15.090 -35.342 1.00 25.00 C ATOM 438 CG PRO A 28 2.018 16.049 -35.374 1.00 25.00 C ATOM 439 CD PRO A 28 2.864 15.695 -34.181 1.00 25.00 C ATOM 0 HA PRO A 28 0.790 13.222 -34.146 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.475 14.936 -36.339 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.077 15.459 -34.714 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.585 15.960 -36.300 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.664 17.078 -35.315 1.00 25.00 H new ATOM 0 HD2 PRO A 28 3.915 15.926 -34.353 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.557 16.248 -33.294 1.00 25.00 H new ATOM 447 N GLY A 29 0.977 11.779 -36.028 1.00 25.00 N ATOM 448 CA GLY A 29 1.216 10.736 -37.018 1.00 25.00 C ATOM 449 C GLY A 29 2.121 9.604 -36.532 1.00 25.00 C ATOM 450 O GLY A 29 1.968 8.496 -37.029 1.00 25.00 O ATOM 0 H GLY A 29 0.136 11.645 -35.467 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.258 10.314 -37.323 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.662 11.188 -37.904 1.00 25.00 H new ATOM 454 N ASN A 30 3.058 9.864 -35.629 1.00 25.00 N ATOM 455 CA ASN A 30 4.027 8.858 -35.226 1.00 25.00 C ATOM 456 C ASN A 30 3.572 8.129 -33.970 1.00 25.00 C ATOM 457 O ASN A 30 3.989 8.469 -32.879 1.00 25.00 O ATOM 458 CB ASN A 30 5.399 9.488 -35.037 1.00 25.00 C ATOM 459 CG ASN A 30 6.153 9.595 -36.339 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.648 10.130 -37.314 1.00 25.00 O ATOM 461 ND2 ASN A 30 7.294 8.944 -36.406 1.00 25.00 N ATOM 0 H ASN A 30 3.166 10.765 -35.162 1.00 25.00 H new ATOM 0 HA ASN A 30 4.102 8.116 -36.021 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.286 10.480 -34.600 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.977 8.893 -34.330 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.789 8.873 -37.295 1.00 25.00 H new ATOM 0 HD22 ASN A 30 7.684 8.510 -35.569 1.00 25.00 H new ATOM 468 N TYR A 31 2.743 7.109 -34.145 1.00 25.00 N ATOM 469 CA TYR A 31 2.260 6.312 -33.019 1.00 25.00 C ATOM 470 C TYR A 31 3.412 5.755 -32.162 1.00 25.00 C ATOM 471 O TYR A 31 3.366 5.789 -30.940 1.00 25.00 O ATOM 472 CB TYR A 31 1.402 5.157 -33.528 1.00 25.00 C ATOM 473 CG TYR A 31 1.079 4.139 -32.458 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.005 4.339 -31.572 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.850 2.965 -32.323 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.300 3.367 -30.566 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.563 2.014 -31.330 1.00 25.00 C ATOM 478 CZ TYR A 31 0.485 2.212 -30.473 1.00 25.00 C ATOM 479 OH TYR A 31 0.235 1.254 -29.520 1.00 25.00 O ATOM 0 H TYR A 31 2.389 6.812 -35.054 1.00 25.00 H new ATOM 0 HA TYR A 31 1.665 6.972 -32.388 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.472 5.555 -33.934 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.921 4.661 -34.348 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.595 5.234 -31.651 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.677 2.794 -32.996 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.126 3.523 -29.887 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.178 1.131 -31.232 1.00 25.00 H new ATOM 0 HH TYR A 31 0.883 0.525 -29.611 1.00 25.00 H new ATOM 489 N GLU A 32 4.476 5.270 -32.787 1.00 25.00 N ATOM 490 CA GLU A 32 5.594 4.711 -32.028 1.00 25.00 C ATOM 491 C GLU A 32 6.230 5.761 -31.109 1.00 25.00 C ATOM 492 O GLU A 32 6.473 5.494 -29.947 1.00 25.00 O ATOM 493 CB GLU A 32 6.629 4.117 -32.984 1.00 25.00 C ATOM 494 CG GLU A 32 7.086 5.067 -34.089 1.00 25.00 C ATOM 495 CD GLU A 32 7.838 4.324 -35.175 1.00 25.00 C ATOM 496 OE1 GLU A 32 7.183 3.580 -35.937 1.00 25.00 O ATOM 497 OE2 GLU A 32 9.051 4.505 -35.264 1.00 25.00 O ATOM 0 H GLU A 32 4.592 5.250 -33.800 1.00 25.00 H new ATOM 0 HA GLU A 32 5.210 3.916 -31.389 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.500 3.803 -32.408 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.210 3.221 -33.442 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.221 5.569 -34.521 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.725 5.841 -33.665 1.00 25.00 H new ATOM 504 N GLN A 33 6.431 6.964 -31.621 1.00 25.00 N ATOM 505 CA GLN A 33 7.040 8.042 -30.816 1.00 25.00 C ATOM 506 C GLN A 33 6.064 8.550 -29.762 1.00 25.00 C ATOM 507 O GLN A 33 6.457 8.896 -28.649 1.00 25.00 O ATOM 508 CB GLN A 33 7.458 9.190 -31.696 1.00 25.00 C ATOM 509 CG GLN A 33 8.585 8.833 -32.653 1.00 25.00 C ATOM 510 CD GLN A 33 9.866 8.335 -31.958 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.323 8.882 -30.965 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.438 7.285 -32.511 1.00 25.00 N ATOM 0 H GLN A 33 6.190 7.229 -32.576 1.00 25.00 H new ATOM 0 HA GLN A 33 7.918 7.628 -30.320 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.597 9.531 -32.271 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.773 10.024 -31.069 1.00 25.00 H new ATOM 0 HG2 GLN A 33 8.234 8.063 -33.339 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.828 9.709 -33.254 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.025 6.857 -33.340 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.294 6.900 -32.110 1.00 25.00 H new ATOM 521 N GLN A 34 4.774 8.515 -30.097 1.00 25.00 N ATOM 522 CA GLN A 34 3.725 8.870 -29.163 1.00 25.00 C ATOM 523 C GLN A 34 3.745 7.921 -27.963 1.00 25.00 C ATOM 524 O GLN A 34 3.497 8.339 -26.844 1.00 25.00 O ATOM 525 CB GLN A 34 2.358 8.815 -29.829 1.00 25.00 C ATOM 526 CG GLN A 34 2.057 10.002 -30.742 1.00 25.00 C ATOM 527 CD GLN A 34 0.832 9.764 -31.609 1.00 25.00 C ATOM 528 OE1 GLN A 34 0.017 8.878 -31.351 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.700 10.531 -32.649 1.00 25.00 N ATOM 0 H GLN A 34 4.436 8.240 -31.020 1.00 25.00 H new ATOM 0 HA GLN A 34 3.907 9.890 -28.826 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.287 7.896 -30.411 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.592 8.763 -29.056 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.903 10.895 -30.136 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.919 10.195 -31.380 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.391 11.257 -32.838 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.095 10.407 -33.277 1.00 25.00 H new ATOM 538 N GLN A 35 4.077 6.663 -28.196 1.00 25.00 N ATOM 539 CA GLN A 35 4.095 5.669 -27.110 1.00 25.00 C ATOM 540 C GLN A 35 5.340 5.847 -26.225 1.00 25.00 C ATOM 541 O GLN A 35 5.254 5.747 -24.996 1.00 25.00 O ATOM 542 CB GLN A 35 4.096 4.266 -27.684 1.00 25.00 C ATOM 543 CG GLN A 35 2.761 3.872 -28.281 1.00 25.00 C ATOM 544 CD GLN A 35 1.660 3.855 -27.249 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.765 3.185 -26.223 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.609 4.597 -27.492 1.00 25.00 N ATOM 0 H GLN A 35 4.337 6.298 -29.112 1.00 25.00 H new ATOM 0 HA GLN A 35 3.201 5.820 -26.504 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.867 4.193 -28.451 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.360 3.558 -26.899 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.500 4.570 -29.077 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.845 2.885 -28.737 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.556 5.140 -28.354 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.157 4.632 -26.819 1.00 25.00 H new ATOM 555 N ILE A 36 6.459 6.201 -26.844 1.00 25.00 N ATOM 556 CA ILE A 36 7.685 6.472 -26.115 1.00 25.00 C ATOM 557 C ILE A 36 7.467 7.676 -25.195 1.00 25.00 C ATOM 558 O ILE A 36 7.854 7.657 -24.032 1.00 25.00 O ATOM 559 CB ILE A 36 8.861 6.815 -27.082 1.00 25.00 C ATOM 560 CG1 ILE A 36 9.147 5.570 -27.969 1.00 25.00 C ATOM 561 CG2 ILE A 36 10.135 7.246 -26.280 1.00 25.00 C ATOM 562 CD1 ILE A 36 10.000 5.841 -29.171 1.00 25.00 C ATOM 0 H ILE A 36 6.540 6.307 -27.855 1.00 25.00 H new ATOM 0 HA ILE A 36 7.940 5.577 -25.547 1.00 25.00 H new ATOM 0 HB ILE A 36 8.585 7.657 -27.717 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.634 4.810 -27.358 1.00 25.00 H new ATOM 0 HG13 ILE A 36 8.197 5.151 -28.301 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.941 7.480 -26.976 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.906 8.127 -25.680 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.446 6.432 -25.625 1.00 25.00 H new ATOM 0 HD11 ILE A 36 10.146 4.916 -29.729 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.508 6.576 -29.808 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.967 6.229 -28.851 1.00 25.00 H new ATOM 574 N LEU A 37 6.796 8.689 -25.708 1.00 25.00 N ATOM 575 CA LEU A 37 6.598 9.907 -24.941 1.00 25.00 C ATOM 576 C LEU A 37 5.722 9.638 -23.730 1.00 25.00 C ATOM 577 O LEU A 37 6.045 10.063 -22.621 1.00 25.00 O ATOM 578 CB LEU A 37 5.961 10.946 -25.822 1.00 25.00 C ATOM 579 CG LEU A 37 5.721 12.341 -25.235 1.00 25.00 C ATOM 580 CD1 LEU A 37 7.024 12.971 -24.695 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.108 13.226 -26.280 1.00 25.00 C ATOM 0 H LEU A 37 6.383 8.696 -26.641 1.00 25.00 H new ATOM 0 HA LEU A 37 7.563 10.270 -24.588 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.585 11.060 -26.708 1.00 25.00 H new ATOM 0 HB3 LEU A 37 5.000 10.555 -26.157 1.00 25.00 H new ATOM 0 HG LEU A 37 5.038 12.240 -24.392 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.809 13.959 -24.288 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.437 12.337 -23.910 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.747 13.062 -25.505 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.937 14.218 -25.862 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.782 13.303 -27.133 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.158 12.801 -26.605 1.00 25.00 H new ATOM 593 N ILE A 38 4.616 8.928 -23.930 1.00 25.00 N ATOM 594 CA ILE A 38 3.693 8.625 -22.846 1.00 25.00 C ATOM 595 C ILE A 38 4.402 7.799 -21.773 1.00 25.00 C ATOM 596 O ILE A 38 4.191 8.029 -20.584 1.00 25.00 O ATOM 597 CB ILE A 38 2.411 7.901 -23.366 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.643 8.861 -24.269 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.470 7.499 -22.193 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.615 8.185 -25.183 1.00 25.00 C ATOM 0 H ILE A 38 4.338 8.552 -24.836 1.00 25.00 H new ATOM 0 HA ILE A 38 3.366 9.565 -22.402 1.00 25.00 H new ATOM 0 HB ILE A 38 2.720 7.002 -23.899 1.00 25.00 H new ATOM 0 HG12 ILE A 38 1.131 9.595 -23.647 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.355 9.408 -24.886 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.587 6.997 -22.590 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.998 6.825 -21.518 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.165 8.393 -21.648 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.116 8.940 -25.790 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.120 7.472 -25.834 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.123 7.661 -24.576 1.00 25.00 H new ATOM 612 N ARG A 39 5.297 6.896 -22.172 1.00 25.00 N ATOM 613 CA ARG A 39 6.093 6.127 -21.183 1.00 25.00 C ATOM 614 C ARG A 39 6.851 7.061 -20.250 1.00 25.00 C ATOM 615 O ARG A 39 6.906 6.824 -19.044 1.00 25.00 O ATOM 616 CB ARG A 39 7.047 5.190 -21.919 1.00 25.00 C ATOM 617 CG ARG A 39 7.705 4.150 -21.032 1.00 25.00 C ATOM 618 CD ARG A 39 9.150 4.519 -20.689 1.00 25.00 C ATOM 619 NE ARG A 39 9.844 3.419 -20.010 1.00 25.00 N ATOM 620 CZ ARG A 39 11.136 3.416 -19.703 1.00 25.00 C ATOM 621 NH1 ARG A 39 11.926 4.430 -19.963 1.00 25.00 N ATOM 622 NH2 ARG A 39 11.642 2.370 -19.117 1.00 25.00 N ATOM 0 H ARG A 39 5.495 6.673 -23.147 1.00 25.00 H new ATOM 0 HA ARG A 39 5.419 5.532 -20.567 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.499 4.681 -22.712 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.824 5.785 -22.400 1.00 25.00 H new ATOM 0 HG2 ARG A 39 7.130 4.043 -20.112 1.00 25.00 H new ATOM 0 HG3 ARG A 39 7.687 3.182 -21.534 1.00 25.00 H new ATOM 0 HD2 ARG A 39 9.686 4.779 -21.602 1.00 25.00 H new ATOM 0 HD3 ARG A 39 9.158 5.403 -20.052 1.00 25.00 H new ATOM 0 HE ARG A 39 9.295 2.598 -19.756 1.00 25.00 H new ATOM 0 HH11 ARG A 39 11.553 5.263 -20.418 1.00 25.00 H new ATOM 0 HH12 ARG A 39 12.913 4.385 -19.710 1.00 25.00 H new ATOM 0 HH21 ARG A 39 11.048 1.569 -18.901 1.00 25.00 H new ATOM 0 HH22 ARG A 39 12.632 2.351 -18.874 1.00 25.00 H new ATOM 636 N GLN A 40 7.438 8.117 -20.797 1.00 25.00 N ATOM 637 CA GLN A 40 8.159 9.092 -19.970 1.00 25.00 C ATOM 638 C GLN A 40 7.195 9.895 -19.111 1.00 25.00 C ATOM 639 O GLN A 40 7.423 10.080 -17.910 1.00 25.00 O ATOM 640 CB GLN A 40 8.961 10.090 -20.839 1.00 25.00 C ATOM 641 CG GLN A 40 9.929 10.988 -20.048 1.00 25.00 C ATOM 642 CD GLN A 40 10.615 11.978 -20.961 1.00 25.00 C ATOM 643 OE1 GLN A 40 9.982 12.707 -21.693 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.910 11.963 -20.932 1.00 25.00 N ATOM 0 H GLN A 40 7.434 8.324 -21.796 1.00 25.00 H new ATOM 0 HA GLN A 40 8.841 8.520 -19.341 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.529 9.531 -21.582 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.260 10.723 -21.384 1.00 25.00 H new ATOM 0 HG2 GLN A 40 9.383 11.522 -19.271 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.675 10.372 -19.547 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.399 11.331 -20.298 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.441 12.583 -21.543 1.00 25.00 H new ATOM 653 N LEU A 41 6.092 10.324 -19.691 1.00 25.00 N ATOM 654 CA LEU A 41 5.137 11.163 -18.974 1.00 25.00 C ATOM 655 C LEU A 41 4.561 10.441 -17.760 1.00 25.00 C ATOM 656 O LEU A 41 4.395 11.043 -16.692 1.00 25.00 O ATOM 657 CB LEU A 41 3.976 11.552 -19.913 1.00 25.00 C ATOM 658 CG LEU A 41 4.253 12.408 -21.148 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.975 12.453 -22.048 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.652 13.813 -20.775 1.00 25.00 C ATOM 0 H LEU A 41 5.830 10.110 -20.653 1.00 25.00 H new ATOM 0 HA LEU A 41 5.668 12.052 -18.635 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.511 10.628 -20.256 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.234 12.078 -19.312 1.00 25.00 H new ATOM 0 HG LEU A 41 5.083 11.955 -21.691 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.172 13.064 -22.929 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.713 11.442 -22.358 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.148 12.885 -21.484 1.00 25.00 H new ATOM 0 HD21 LEU A 41 4.840 14.390 -21.680 1.00 25.00 H new ATOM 0 HD22 LEU A 41 3.848 14.281 -20.207 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.557 13.785 -20.168 1.00 25.00 H new ATOM 672 N GLN A 42 4.250 9.165 -17.920 1.00 25.00 N ATOM 673 CA GLN A 42 3.661 8.385 -16.837 1.00 25.00 C ATOM 674 C GLN A 42 4.622 8.226 -15.640 1.00 25.00 C ATOM 675 O GLN A 42 4.206 8.252 -14.468 1.00 25.00 O ATOM 676 CB GLN A 42 3.276 7.018 -17.396 1.00 25.00 C ATOM 677 CG GLN A 42 2.050 7.090 -18.323 1.00 25.00 C ATOM 678 CD GLN A 42 1.661 5.748 -18.874 1.00 25.00 C ATOM 679 OE1 GLN A 42 0.496 5.417 -18.929 1.00 25.00 O ATOM 680 NE2 GLN A 42 2.641 4.953 -19.249 1.00 25.00 N ATOM 0 H GLN A 42 4.394 8.646 -18.786 1.00 25.00 H new ATOM 0 HA GLN A 42 2.784 8.911 -16.460 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.120 6.602 -17.946 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.066 6.337 -16.571 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.208 7.510 -17.773 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.263 7.769 -19.148 1.00 25.00 H new ATOM 0 HE21 GLN A 42 3.608 5.271 -19.186 1.00 25.00 H new ATOM 0 HE22 GLN A 42 2.433 4.019 -19.602 1.00 25.00 H new ATOM 689 N GLU A 43 5.900 8.049 -15.933 1.00 25.00 N ATOM 690 CA GLU A 43 6.879 7.869 -14.883 1.00 25.00 C ATOM 691 C GLU A 43 7.167 9.184 -14.183 1.00 25.00 C ATOM 692 O GLU A 43 7.203 9.255 -12.955 1.00 25.00 O ATOM 693 CB GLU A 43 8.156 7.290 -15.473 1.00 25.00 C ATOM 694 CG GLU A 43 9.238 7.021 -14.447 1.00 25.00 C ATOM 695 CD GLU A 43 10.386 6.197 -15.040 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.207 4.977 -15.275 1.00 25.00 O ATOM 697 OE2 GLU A 43 11.435 6.797 -15.375 1.00 25.00 O ATOM 0 H GLU A 43 6.277 8.027 -16.880 1.00 25.00 H new ATOM 0 HA GLU A 43 6.479 7.176 -14.143 1.00 25.00 H new ATOM 0 HB2 GLU A 43 7.918 6.359 -15.988 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.543 7.979 -16.223 1.00 25.00 H new ATOM 0 HG2 GLU A 43 9.626 7.967 -14.070 1.00 25.00 H new ATOM 0 HG3 GLU A 43 8.810 6.490 -13.597 1.00 25.00 H new ATOM 704 N GLN A 44 7.364 10.233 -14.963 1.00 25.00 N ATOM 705 CA GLN A 44 7.665 11.557 -14.442 1.00 25.00 C ATOM 706 C GLN A 44 6.520 12.111 -13.584 1.00 25.00 C ATOM 707 O GLN A 44 6.763 12.746 -12.562 1.00 25.00 O ATOM 708 CB GLN A 44 7.983 12.494 -15.615 1.00 25.00 C ATOM 709 CG GLN A 44 8.643 13.793 -15.210 1.00 25.00 C ATOM 710 CD GLN A 44 8.964 14.672 -16.401 1.00 25.00 C ATOM 711 OE1 GLN A 44 9.885 14.411 -17.174 1.00 25.00 O ATOM 712 NE2 GLN A 44 8.211 15.721 -16.556 1.00 25.00 N ATOM 0 H GLN A 44 7.320 10.191 -15.981 1.00 25.00 H new ATOM 0 HA GLN A 44 8.533 11.486 -13.787 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.634 11.972 -16.316 1.00 25.00 H new ATOM 0 HB3 GLN A 44 7.058 12.720 -16.146 1.00 25.00 H new ATOM 0 HG2 GLN A 44 7.987 14.334 -14.529 1.00 25.00 H new ATOM 0 HG3 GLN A 44 9.561 13.576 -14.664 1.00 25.00 H new ATOM 0 HE21 GLN A 44 7.456 15.908 -15.897 1.00 25.00 H new ATOM 0 HE22 GLN A 44 8.376 16.356 -17.337 1.00 25.00 H new ATOM 721 N HIS A 45 5.287 11.834 -13.983 1.00 25.00 N ATOM 722 CA HIS A 45 4.126 12.257 -13.209 1.00 25.00 C ATOM 723 C HIS A 45 4.111 11.546 -11.870 1.00 25.00 C ATOM 724 O HIS A 45 3.785 12.129 -10.857 1.00 25.00 O ATOM 725 CB HIS A 45 2.819 11.997 -13.967 1.00 25.00 C ATOM 726 CG HIS A 45 1.594 12.223 -13.140 1.00 25.00 C ATOM 727 ND1 HIS A 45 1.184 13.461 -12.677 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.678 11.339 -12.635 1.00 25.00 C ATOM 729 CE1 HIS A 45 0.092 13.290 -11.954 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.271 12.019 -11.893 1.00 25.00 N ATOM 0 H HIS A 45 5.064 11.320 -14.835 1.00 25.00 H new ATOM 0 HA HIS A 45 4.203 13.332 -13.045 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.781 12.645 -14.843 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.818 10.969 -14.331 1.00 25.00 H new ATOM 0 HD1 HIS A 45 1.645 14.352 -12.862 1.00 25.00 H new ATOM 0 HD2 HIS A 45 0.694 10.271 -12.793 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -0.442 14.094 -11.469 1.00 25.00 H new ATOM 738 N TYR A 46 4.512 10.284 -11.859 1.00 25.00 N ATOM 739 CA TYR A 46 4.571 9.542 -10.592 1.00 25.00 C ATOM 740 C TYR A 46 5.582 10.157 -9.641 1.00 25.00 C ATOM 741 O TYR A 46 5.365 10.150 -8.443 1.00 25.00 O ATOM 742 CB TYR A 46 4.915 8.066 -10.811 1.00 25.00 C ATOM 743 CG TYR A 46 4.855 7.247 -9.526 1.00 25.00 C ATOM 744 CD1 TYR A 46 3.632 7.095 -8.830 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.006 6.629 -9.011 1.00 25.00 C ATOM 746 CE1 TYR A 46 3.558 6.321 -7.637 1.00 25.00 C ATOM 747 CE2 TYR A 46 5.938 5.872 -7.785 1.00 25.00 C ATOM 748 CZ TYR A 46 4.712 5.722 -7.130 1.00 25.00 C ATOM 749 OH TYR A 46 4.598 4.977 -5.976 1.00 25.00 O ATOM 0 H TYR A 46 4.796 9.756 -12.685 1.00 25.00 H new ATOM 0 HA TYR A 46 3.577 9.605 -10.149 1.00 25.00 H new ATOM 0 HB2 TYR A 46 4.224 7.641 -11.539 1.00 25.00 H new ATOM 0 HB3 TYR A 46 5.915 7.990 -11.238 1.00 25.00 H new ATOM 0 HD1 TYR A 46 2.741 7.573 -9.210 1.00 25.00 H new ATOM 0 HD2 TYR A 46 6.946 6.721 -9.535 1.00 25.00 H new ATOM 0 HE1 TYR A 46 2.614 6.198 -7.127 1.00 25.00 H new ATOM 0 HE2 TYR A 46 6.830 5.423 -7.375 1.00 25.00 H new ATOM 0 HH TYR A 46 4.953 5.489 -5.220 1.00 25.00 H new ATOM 759 N GLN A 47 6.644 10.753 -10.166 1.00 25.00 N ATOM 760 CA GLN A 47 7.631 11.413 -9.316 1.00 25.00 C ATOM 761 C GLN A 47 7.002 12.632 -8.638 1.00 25.00 C ATOM 762 O GLN A 47 7.226 12.869 -7.444 1.00 25.00 O ATOM 763 CB GLN A 47 8.854 11.887 -10.103 1.00 25.00 C ATOM 764 CG GLN A 47 9.523 10.802 -10.912 1.00 25.00 C ATOM 765 CD GLN A 47 9.836 9.555 -10.080 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.448 9.614 -9.024 1.00 25.00 O ATOM 767 NE2 GLN A 47 9.434 8.412 -10.580 1.00 25.00 N ATOM 0 H GLN A 47 6.845 10.794 -11.165 1.00 25.00 H new ATOM 0 HA GLN A 47 7.954 10.676 -8.581 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.552 12.692 -10.773 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.580 12.307 -9.407 1.00 25.00 H new ATOM 0 HG2 GLN A 47 8.878 10.525 -11.746 1.00 25.00 H new ATOM 0 HG3 GLN A 47 10.447 11.190 -11.340 1.00 25.00 H new ATOM 0 HE21 GLN A 47 8.925 8.393 -11.464 1.00 25.00 H new ATOM 0 HE22 GLN A 47 9.630 7.542 -10.085 1.00 25.00 H new ATOM 776 N GLN A 48 6.183 13.369 -9.381 1.00 25.00 N ATOM 777 CA GLN A 48 5.465 14.531 -8.842 1.00 25.00 C ATOM 778 C GLN A 48 4.484 14.088 -7.783 1.00 25.00 C ATOM 779 O GLN A 48 4.416 14.656 -6.692 1.00 25.00 O ATOM 780 CB GLN A 48 4.702 15.269 -9.951 1.00 25.00 C ATOM 781 CG GLN A 48 4.002 16.541 -9.495 1.00 25.00 C ATOM 782 CD GLN A 48 3.238 17.183 -10.609 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.273 16.629 -11.131 1.00 25.00 O ATOM 784 NE2 GLN A 48 3.715 18.311 -11.033 1.00 25.00 N ATOM 0 H GLN A 48 5.995 13.184 -10.366 1.00 25.00 H new ATOM 0 HA GLN A 48 6.201 15.207 -8.407 1.00 25.00 H new ATOM 0 HB2 GLN A 48 5.400 15.520 -10.750 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.960 14.593 -10.376 1.00 25.00 H new ATOM 0 HG2 GLN A 48 3.323 16.308 -8.675 1.00 25.00 H new ATOM 0 HG3 GLN A 48 4.740 17.244 -9.108 1.00 25.00 H new ATOM 0 HE21 GLN A 48 4.518 18.733 -10.567 1.00 25.00 H new ATOM 0 HE22 GLN A 48 3.287 18.777 -11.833 1.00 25.00 H new ATOM 793 N TYR A 49 3.724 13.049 -8.094 1.00 25.00 N ATOM 794 CA TYR A 49 2.730 12.538 -7.158 1.00 25.00 C ATOM 795 C TYR A 49 3.395 12.104 -5.845 1.00 25.00 C ATOM 796 O TYR A 49 2.862 12.326 -4.768 1.00 25.00 O ATOM 797 CB TYR A 49 1.980 11.387 -7.805 1.00 25.00 C ATOM 798 CG TYR A 49 0.752 10.962 -7.031 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.437 11.739 -7.084 1.00 25.00 C ATOM 800 CD2 TYR A 49 0.761 9.791 -6.269 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.605 11.317 -6.378 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.399 9.362 -5.557 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.578 10.125 -5.629 1.00 25.00 C ATOM 804 OH TYR A 49 -2.702 9.721 -4.963 1.00 25.00 O ATOM 0 H TYR A 49 3.774 12.545 -8.980 1.00 25.00 H new ATOM 0 HA TYR A 49 2.019 13.328 -6.915 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.683 11.677 -8.813 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.652 10.534 -7.903 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.458 12.652 -7.660 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.663 9.199 -6.218 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.506 11.911 -6.419 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.372 8.458 -4.967 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.520 8.879 -4.495 1.00 25.00 H new ATOM 814 N MET A 50 4.576 11.503 -5.935 1.00 25.00 N ATOM 815 CA MET A 50 5.300 11.082 -4.740 1.00 25.00 C ATOM 816 C MET A 50 5.908 12.275 -3.986 1.00 25.00 C ATOM 817 O MET A 50 5.865 12.328 -2.763 1.00 25.00 O ATOM 818 CB MET A 50 6.410 10.074 -5.090 1.00 25.00 C ATOM 819 CG MET A 50 6.790 9.122 -3.946 1.00 25.00 C ATOM 820 SD MET A 50 6.014 7.518 -4.130 1.00 25.00 S ATOM 821 CE MET A 50 4.235 7.889 -4.007 1.00 25.00 C ATOM 0 H MET A 50 5.050 11.297 -6.815 1.00 25.00 H new ATOM 0 HA MET A 50 4.572 10.600 -4.088 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.089 9.482 -5.947 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.299 10.624 -5.398 1.00 25.00 H new ATOM 0 HG2 MET A 50 7.873 9.001 -3.918 1.00 25.00 H new ATOM 0 HG3 MET A 50 6.494 9.562 -2.994 1.00 25.00 H new ATOM 0 HE1 MET A 50 3.669 6.958 -4.001 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.041 8.438 -3.086 1.00 25.00 H new ATOM 0 HE3 MET A 50 3.929 8.493 -4.861 1.00 25.00 H new