USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 969 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 71 THR OG1 : rot 178:sc= -5.39! USER MOD Set 1.2: A 144 SER OG : rot 180:sc= -3.89! USER MOD Set 2.1: A 13 THR OG1 : rot -72:sc= -1.89 USER MOD Set 2.2: A 69 SER OG : rot -59:sc= 0.804 USER MOD Set 2.3: A 147 SER OG : rot 81:sc= 0.00676 USER MOD Single : A 12 HIS : no HE2:sc= -2.7 K(o=-2.7,f=-3.9) USER MOD Single : A 14 SER OG : rot 19:sc= 1.3 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 76:sc= -4.43! USER MOD Single : A 28 SER OG : rot 121:sc= -0.291 USER MOD Single : A 37 MET CE :methyl -133:sc= -0.141 (180deg=-0.611) USER MOD Single : A 45 GLN : amide:sc= -9.8! C(o=-9.8!,f=-11!) USER MOD Single : A 47 ASN : amide:sc= -22.4! C(o=-22!,f=-29!) USER MOD Single : A 55 TYR OH : rot 30:sc= -1.14 USER MOD Single : A 56 ASN :FLIP amide:sc= -6.07! C(o=-8.8!,f=-6.1!) USER MOD Single : A 65 SER OG : rot 114:sc= -2.99 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 78 MET CE :methyl -143:sc= -0.936 (180deg=-3.72!) USER MOD Single : A 93 THR OG1 : rot 118:sc= -0.413! USER MOD Single : A 97 GLN :FLIP amide:sc= 0.996 F(o=-0.46,f=1) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.123! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0613 USER MOD Single : A 111 TYR OH : rot -30:sc= -3.03! USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 115 SER OG : rot 71:sc= -0.969! USER MOD Single : A 116 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.14) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.055 USER MOD Single : A 128 GLN :FLIP amide:sc= -3.85! C(o=-4.5!,f=-3.8!) USER MOD Single : A 132 HIS : no HE2:sc= -12.2! C(o=-12!,f=-15!) USER MOD Single : A 135 LYS NZ :NH3+ 169:sc= -2.3! (180deg=-2.45!) USER MOD Single : A 139 TYR OH : rot -132:sc= -6.33! USER MOD Single : A 145 GLN :FLIP amide:sc= -0.451 F(o=-2.2!,f=-0.45) USER MOD Single : A 149 THR OG1 : rot 86:sc= -0.46 USER MOD Single : A 150 THR OG1 : rot 134:sc= 0.221 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -12.368 -10.203 -9.894 1.00 2.11 N ATOM 82 CA VAL A 7 -12.788 -8.987 -10.647 1.00 2.12 C ATOM 83 C VAL A 7 -11.567 -8.098 -10.897 1.00 2.11 C ATOM 84 O VAL A 7 -10.530 -8.267 -10.288 1.00 2.83 O ATOM 85 CB VAL A 7 -13.829 -8.217 -9.832 1.00 2.16 C ATOM 86 CG1 VAL A 7 -13.127 -7.256 -8.870 1.00 2.17 C ATOM 87 CG2 VAL A 7 -14.729 -7.419 -10.779 1.00 2.42 C ATOM 0 HA VAL A 7 -13.224 -9.280 -11.602 1.00 2.12 H new ATOM 0 HB VAL A 7 -14.432 -8.923 -9.261 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -13.873 -6.710 -8.292 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -12.487 -7.822 -8.193 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -12.521 -6.550 -9.438 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -15.471 -6.870 -10.199 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -14.123 -6.716 -11.351 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -15.235 -8.102 -11.462 1.00 2.42 H new ATOM 97 N GLU A 8 -11.683 -7.151 -11.787 1.00 1.96 N ATOM 98 CA GLU A 8 -10.529 -6.254 -12.073 1.00 2.32 C ATOM 99 C GLU A 8 -11.008 -4.801 -12.113 1.00 2.30 C ATOM 100 O GLU A 8 -11.493 -4.324 -13.120 1.00 2.59 O ATOM 101 CB GLU A 8 -9.917 -6.625 -13.426 1.00 3.06 C ATOM 102 CG GLU A 8 -8.391 -6.599 -13.321 1.00 3.55 C ATOM 103 CD GLU A 8 -7.916 -7.779 -12.469 1.00 4.20 C ATOM 104 OE1 GLU A 8 -7.688 -8.836 -13.033 1.00 4.42 O ATOM 105 OE2 GLU A 8 -7.790 -7.604 -11.268 1.00 4.75 O ATOM 0 H GLU A 8 -12.526 -6.960 -12.328 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.779 -6.368 -11.290 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -10.254 -7.616 -13.730 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -10.251 -5.926 -14.192 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -7.947 -6.653 -14.315 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -8.063 -5.660 -12.875 1.00 3.55 H new ATOM 112 N LEU A 9 -10.874 -4.092 -11.025 1.00 2.76 N ATOM 113 CA LEU A 9 -11.320 -2.671 -11.003 1.00 3.48 C ATOM 114 C LEU A 9 -10.445 -1.849 -11.951 1.00 3.43 C ATOM 115 O LEU A 9 -10.924 -0.995 -12.668 1.00 4.12 O ATOM 116 CB LEU A 9 -11.192 -2.121 -9.581 1.00 3.72 C ATOM 117 CG LEU A 9 -12.497 -2.362 -8.820 1.00 4.22 C ATOM 118 CD1 LEU A 9 -12.345 -1.880 -7.377 1.00 4.95 C ATOM 119 CD2 LEU A 9 -13.631 -1.589 -9.498 1.00 3.49 C ATOM 0 H LEU A 9 -10.475 -4.436 -10.151 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.360 -2.609 -11.324 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -10.363 -2.606 -9.065 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -10.968 -1.055 -9.611 1.00 3.72 H new ATOM 0 HG LEU A 9 -12.728 -3.427 -8.824 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -13.275 -2.052 -6.836 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -11.537 -2.429 -6.893 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -12.114 -0.815 -7.372 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -14.562 -1.760 -8.957 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -13.399 -0.524 -9.494 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -13.741 -1.932 -10.527 1.00 3.49 H new ATOM 131 N LEU A 10 -9.165 -2.105 -11.962 1.00 2.81 N ATOM 132 CA LEU A 10 -8.260 -1.342 -12.866 1.00 2.72 C ATOM 133 C LEU A 10 -7.667 -2.301 -13.904 1.00 2.86 C ATOM 134 O LEU A 10 -6.666 -2.944 -13.661 1.00 2.83 O ATOM 135 CB LEU A 10 -7.133 -0.711 -12.041 1.00 2.41 C ATOM 136 CG LEU A 10 -6.443 0.410 -12.828 1.00 2.12 C ATOM 137 CD1 LEU A 10 -5.047 0.638 -12.250 1.00 1.99 C ATOM 138 CD2 LEU A 10 -6.305 0.035 -14.307 1.00 2.07 C ATOM 0 H LEU A 10 -8.708 -2.810 -11.384 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.818 -0.555 -13.373 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -7.537 -0.312 -11.110 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.403 -1.474 -11.771 1.00 2.41 H new ATOM 0 HG LEU A 10 -7.048 1.313 -12.747 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -4.549 1.434 -12.804 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -5.130 0.923 -11.201 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.465 -0.280 -12.332 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -5.813 0.846 -14.844 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -5.710 -0.874 -14.398 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -7.294 -0.134 -14.733 1.00 2.07 H new ATOM 150 N PRO A 11 -8.283 -2.393 -15.051 1.00 3.10 N ATOM 151 CA PRO A 11 -7.814 -3.286 -16.151 1.00 3.32 C ATOM 152 C PRO A 11 -6.379 -2.977 -16.587 1.00 2.96 C ATOM 153 O PRO A 11 -6.082 -2.909 -17.764 1.00 3.09 O ATOM 154 CB PRO A 11 -8.787 -3.013 -17.301 1.00 3.83 C ATOM 155 CG PRO A 11 -9.987 -2.377 -16.681 1.00 3.73 C ATOM 156 CD PRO A 11 -9.498 -1.655 -15.426 1.00 3.29 C ATOM 0 HA PRO A 11 -7.800 -4.328 -15.833 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -8.337 -2.356 -18.045 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -9.056 -3.937 -17.813 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -10.456 -1.677 -17.373 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -10.737 -3.127 -16.429 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -9.283 -0.605 -15.626 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -10.244 -1.682 -14.632 1.00 3.29 H new ATOM 164 N HIS A 12 -5.484 -2.794 -15.655 1.00 2.52 N ATOM 165 CA HIS A 12 -4.072 -2.497 -16.030 1.00 2.16 C ATOM 166 C HIS A 12 -3.125 -3.289 -15.128 1.00 1.83 C ATOM 167 O HIS A 12 -3.256 -3.288 -13.919 1.00 1.69 O ATOM 168 CB HIS A 12 -3.796 -1.000 -15.865 1.00 2.13 C ATOM 169 CG HIS A 12 -2.566 -0.628 -16.646 1.00 1.93 C ATOM 170 ND1 HIS A 12 -2.429 -0.921 -17.993 1.00 1.98 N ATOM 171 CD2 HIS A 12 -1.408 0.015 -16.283 1.00 1.81 C ATOM 172 CE1 HIS A 12 -1.229 -0.461 -18.390 1.00 1.94 C ATOM 173 NE2 HIS A 12 -0.565 0.119 -17.386 1.00 1.82 N ATOM 0 H HIS A 12 -5.668 -2.837 -14.653 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.910 -2.782 -17.070 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.651 -0.421 -16.215 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.657 -0.759 -14.811 1.00 2.13 H new ATOM 0 HD1 HIS A 12 -3.114 -1.399 -18.578 1.00 1.98 H new ATOM 0 HD2 HIS A 12 -1.185 0.384 -15.293 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -0.849 -0.550 -19.397 1.00 1.94 H new ATOM 181 N THR A 13 -2.171 -3.966 -15.705 1.00 1.82 N ATOM 182 CA THR A 13 -1.215 -4.759 -14.882 1.00 1.56 C ATOM 183 C THR A 13 -0.066 -5.246 -15.767 1.00 1.39 C ATOM 184 O THR A 13 0.050 -6.420 -16.059 1.00 1.58 O ATOM 185 CB THR A 13 -1.940 -5.963 -14.276 1.00 1.72 C ATOM 186 OG1 THR A 13 -0.986 -6.857 -13.721 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.740 -6.680 -15.364 1.00 1.97 C ATOM 0 H THR A 13 -2.012 -4.004 -16.712 1.00 1.82 H new ATOM 0 HA THR A 13 -0.818 -4.135 -14.081 1.00 1.56 H new ATOM 0 HB THR A 13 -2.619 -5.623 -13.494 1.00 1.72 H new ATOM 0 HG1 THR A 13 -0.506 -7.313 -14.444 1.00 1.59 H new ATOM 0 HG21 THR A 13 -3.256 -7.537 -14.931 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.472 -5.993 -15.790 1.00 1.97 H new ATOM 0 HG23 THR A 13 -2.064 -7.021 -16.148 1.00 1.97 H new ATOM 195 N SER A 14 0.784 -4.355 -16.198 1.00 1.20 N ATOM 196 CA SER A 14 1.922 -4.774 -17.065 1.00 1.07 C ATOM 197 C SER A 14 2.965 -3.656 -17.120 1.00 1.04 C ATOM 198 O SER A 14 3.233 -3.096 -18.164 1.00 1.10 O ATOM 199 CB SER A 14 1.408 -5.060 -18.476 1.00 1.14 C ATOM 200 OG SER A 14 0.916 -6.391 -18.536 1.00 1.96 O ATOM 0 H SER A 14 0.740 -3.358 -15.988 1.00 1.20 H new ATOM 0 HA SER A 14 2.378 -5.674 -16.653 1.00 1.07 H new ATOM 0 HB2 SER A 14 0.618 -4.356 -18.737 1.00 1.14 H new ATOM 0 HB3 SER A 14 2.209 -4.923 -19.202 1.00 1.14 H new ATOM 0 HG SER A 14 0.732 -6.713 -17.629 1.00 1.96 H new ATOM 206 N PHE A 15 3.560 -3.328 -16.004 1.00 1.01 N ATOM 207 CA PHE A 15 4.589 -2.250 -15.999 1.00 1.00 C ATOM 208 C PHE A 15 5.817 -2.726 -16.777 1.00 1.00 C ATOM 209 O PHE A 15 6.928 -2.304 -16.523 1.00 0.98 O ATOM 210 CB PHE A 15 4.993 -1.935 -14.556 1.00 0.98 C ATOM 211 CG PHE A 15 3.995 -0.982 -13.939 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.676 -0.942 -14.406 1.00 1.11 C ATOM 213 CD2 PHE A 15 4.392 -0.141 -12.892 1.00 1.74 C ATOM 214 CE1 PHE A 15 1.755 -0.060 -13.828 1.00 1.14 C ATOM 215 CE2 PHE A 15 3.470 0.741 -12.313 1.00 1.76 C ATOM 216 CZ PHE A 15 2.151 0.780 -12.782 1.00 0.95 C ATOM 0 H PHE A 15 3.378 -3.759 -15.098 1.00 1.01 H new ATOM 0 HA PHE A 15 4.182 -1.353 -16.465 1.00 1.00 H new ATOM 0 HB2 PHE A 15 5.039 -2.855 -13.973 1.00 0.98 H new ATOM 0 HB3 PHE A 15 5.990 -1.495 -14.536 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.369 -1.592 -15.212 1.00 1.11 H new ATOM 0 HD2 PHE A 15 5.409 -0.172 -12.531 1.00 1.74 H new ATOM 0 HE1 PHE A 15 0.738 -0.028 -14.190 1.00 1.14 H new ATOM 0 HE2 PHE A 15 3.776 1.390 -11.506 1.00 1.76 H new ATOM 0 HZ PHE A 15 1.439 1.459 -12.336 1.00 0.95 H new ATOM 226 N ALA A 16 5.626 -3.609 -17.719 1.00 1.06 N ATOM 227 CA ALA A 16 6.782 -4.121 -18.510 1.00 1.09 C ATOM 228 C ALA A 16 6.999 -3.241 -19.743 1.00 1.10 C ATOM 229 O ALA A 16 8.118 -2.949 -20.118 1.00 1.18 O ATOM 230 CB ALA A 16 6.494 -5.555 -18.956 1.00 1.14 C ATOM 0 H ALA A 16 4.719 -3.998 -17.975 1.00 1.06 H new ATOM 0 HA ALA A 16 7.679 -4.100 -17.891 1.00 1.09 H new ATOM 0 HB1 ALA A 16 7.337 -5.932 -19.535 1.00 1.14 H new ATOM 0 HB2 ALA A 16 6.344 -6.185 -18.080 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.595 -5.571 -19.572 1.00 1.14 H new ATOM 236 N GLU A 17 5.942 -2.820 -20.381 1.00 1.15 N ATOM 237 CA GLU A 17 6.095 -1.968 -21.593 1.00 1.19 C ATOM 238 C GLU A 17 5.638 -0.542 -21.281 1.00 1.29 C ATOM 239 O GLU A 17 6.438 0.363 -21.157 1.00 1.41 O ATOM 240 CB GLU A 17 5.240 -2.542 -22.722 1.00 1.32 C ATOM 241 CG GLU A 17 6.067 -3.539 -23.536 1.00 1.41 C ATOM 242 CD GLU A 17 7.244 -2.813 -24.189 1.00 1.67 C ATOM 243 OE1 GLU A 17 7.035 -2.193 -25.218 1.00 1.96 O ATOM 244 OE2 GLU A 17 8.335 -2.890 -23.648 1.00 2.13 O ATOM 0 H GLU A 17 4.980 -3.029 -20.115 1.00 1.15 H new ATOM 0 HA GLU A 17 7.142 -1.951 -21.897 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.359 -3.035 -22.310 1.00 1.32 H new ATOM 0 HB3 GLU A 17 4.883 -1.738 -23.366 1.00 1.32 H new ATOM 0 HG2 GLU A 17 6.432 -4.338 -22.890 1.00 1.41 H new ATOM 0 HG3 GLU A 17 5.445 -4.006 -24.300 1.00 1.41 H new ATOM 251 N SER A 18 4.356 -0.333 -21.156 1.00 1.41 N ATOM 252 CA SER A 18 3.852 1.036 -20.857 1.00 1.64 C ATOM 253 C SER A 18 3.819 1.247 -19.342 1.00 1.51 C ATOM 254 O SER A 18 3.555 0.336 -18.583 1.00 1.30 O ATOM 255 CB SER A 18 2.441 1.197 -21.423 1.00 2.02 C ATOM 256 OG SER A 18 2.524 1.507 -22.808 1.00 2.26 O ATOM 0 H SER A 18 3.637 -1.051 -21.248 1.00 1.41 H new ATOM 0 HA SER A 18 4.513 1.773 -21.314 1.00 1.64 H new ATOM 0 HB2 SER A 18 1.871 0.279 -21.277 1.00 2.02 H new ATOM 0 HB3 SER A 18 1.912 1.988 -20.892 1.00 2.02 H new ATOM 0 HG SER A 18 1.621 1.609 -23.175 1.00 2.26 H new ATOM 262 N LEU A 19 4.084 2.445 -18.896 1.00 1.67 N ATOM 263 CA LEU A 19 4.069 2.715 -17.431 1.00 1.59 C ATOM 264 C LEU A 19 2.663 2.463 -16.881 1.00 1.72 C ATOM 265 O LEU A 19 2.467 1.641 -16.008 1.00 2.45 O ATOM 266 CB LEU A 19 4.461 4.171 -17.178 1.00 1.61 C ATOM 267 CG LEU A 19 5.945 4.243 -16.810 1.00 1.71 C ATOM 268 CD1 LEU A 19 6.351 5.705 -16.610 1.00 2.60 C ATOM 269 CD2 LEU A 19 6.186 3.466 -15.515 1.00 1.37 C ATOM 0 H LEU A 19 4.310 3.248 -19.483 1.00 1.67 H new ATOM 0 HA LEU A 19 4.779 2.055 -16.932 1.00 1.59 H new ATOM 0 HB2 LEU A 19 4.266 4.771 -18.067 1.00 1.61 H new ATOM 0 HB3 LEU A 19 3.855 4.587 -16.373 1.00 1.61 H new ATOM 0 HG LEU A 19 6.540 3.807 -17.612 1.00 1.71 H new ATOM 0 HD11 LEU A 19 7.408 5.757 -16.348 1.00 2.60 H new ATOM 0 HD12 LEU A 19 6.178 6.260 -17.532 1.00 2.60 H new ATOM 0 HD13 LEU A 19 5.756 6.141 -15.807 1.00 2.60 H new ATOM 0 HD21 LEU A 19 7.243 3.516 -15.252 1.00 1.37 H new ATOM 0 HD22 LEU A 19 5.591 3.902 -14.713 1.00 1.37 H new ATOM 0 HD23 LEU A 19 5.897 2.425 -15.656 1.00 1.37 H new ATOM 281 N GLY A 20 1.684 3.164 -17.384 1.00 1.44 N ATOM 282 CA GLY A 20 0.293 2.964 -16.887 1.00 1.58 C ATOM 283 C GLY A 20 -0.239 4.278 -16.315 1.00 1.59 C ATOM 284 O GLY A 20 0.494 5.231 -16.140 1.00 1.62 O ATOM 0 H GLY A 20 1.787 3.866 -18.117 1.00 1.44 H new ATOM 0 HA2 GLY A 20 -0.349 2.622 -17.699 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.277 2.189 -16.121 1.00 1.58 H new ATOM 288 N PRO A 21 -1.511 4.324 -16.024 1.00 1.60 N ATOM 289 CA PRO A 21 -2.168 5.537 -15.461 1.00 1.60 C ATOM 290 C PRO A 21 -1.773 5.783 -14.002 1.00 1.43 C ATOM 291 O PRO A 21 -2.282 6.676 -13.353 1.00 1.67 O ATOM 292 CB PRO A 21 -3.663 5.227 -15.565 1.00 1.68 C ATOM 293 CG PRO A 21 -3.760 3.737 -15.585 1.00 1.70 C ATOM 294 CD PRO A 21 -2.463 3.217 -16.206 1.00 1.63 C ATOM 0 HA PRO A 21 -1.875 6.440 -15.996 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -4.210 5.645 -14.720 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -4.092 5.661 -16.468 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.890 3.345 -14.576 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.623 3.414 -16.166 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -2.119 2.309 -15.710 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.595 2.974 -17.260 1.00 1.63 H new ATOM 302 N TRP A 22 -0.869 4.999 -13.481 1.00 1.30 N ATOM 303 CA TRP A 22 -0.443 5.191 -12.066 1.00 1.15 C ATOM 304 C TRP A 22 0.489 6.400 -11.974 1.00 1.24 C ATOM 305 O TRP A 22 0.721 7.092 -12.945 1.00 1.48 O ATOM 306 CB TRP A 22 0.297 3.943 -11.581 1.00 1.19 C ATOM 307 CG TRP A 22 -0.690 2.863 -11.272 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.719 2.500 -12.070 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.759 2.002 -10.097 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.414 1.471 -11.464 1.00 1.52 N ATOM 311 CE2 TRP A 22 -1.864 1.129 -10.245 1.00 1.59 C ATOM 312 CE3 TRP A 22 0.017 1.896 -8.930 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.184 0.182 -9.270 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.301 0.947 -7.947 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.399 0.091 -8.115 1.00 2.39 C ATOM 0 H TRP A 22 -0.407 4.234 -13.974 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.322 5.359 -11.443 1.00 1.15 H new ATOM 0 HB2 TRP A 22 0.996 3.603 -12.345 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.884 4.178 -10.693 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.959 2.942 -13.026 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.234 1.019 -11.868 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.865 2.550 -8.789 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.030 -0.475 -9.406 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 0.304 0.875 -7.055 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -1.638 -0.637 -7.354 1.00 2.39 H new ATOM 326 N SER A 23 1.028 6.655 -10.814 1.00 1.20 N ATOM 327 CA SER A 23 1.950 7.815 -10.660 1.00 1.36 C ATOM 328 C SER A 23 3.259 7.338 -10.028 1.00 1.28 C ATOM 329 O SER A 23 3.267 6.474 -9.173 1.00 1.33 O ATOM 330 CB SER A 23 1.301 8.866 -9.758 1.00 1.45 C ATOM 331 OG SER A 23 0.551 9.771 -10.557 1.00 1.64 O ATOM 0 H SER A 23 0.870 6.110 -9.966 1.00 1.20 H new ATOM 0 HA SER A 23 2.154 8.253 -11.637 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.652 8.384 -9.027 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.066 9.404 -9.199 1.00 1.45 H new ATOM 0 HG SER A 23 0.132 10.445 -9.982 1.00 1.64 H new ATOM 337 N LEU A 24 4.366 7.890 -10.442 1.00 1.31 N ATOM 338 CA LEU A 24 5.672 7.464 -9.864 1.00 1.25 C ATOM 339 C LEU A 24 6.589 8.680 -9.728 1.00 1.30 C ATOM 340 O LEU A 24 6.738 9.461 -10.647 1.00 1.47 O ATOM 341 CB LEU A 24 6.323 6.429 -10.782 1.00 1.40 C ATOM 342 CG LEU A 24 6.310 6.939 -12.225 1.00 1.44 C ATOM 343 CD1 LEU A 24 7.494 7.884 -12.459 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.411 5.750 -13.180 1.00 2.05 C ATOM 0 H LEU A 24 4.423 8.617 -11.155 1.00 1.31 H new ATOM 0 HA LEU A 24 5.509 7.022 -8.881 1.00 1.25 H new ATOM 0 HB2 LEU A 24 7.348 6.239 -10.463 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.787 5.482 -10.716 1.00 1.40 H new ATOM 0 HG LEU A 24 5.382 7.481 -12.406 1.00 1.44 H new ATOM 0 HD11 LEU A 24 7.476 8.242 -13.489 1.00 2.02 H new ATOM 0 HD12 LEU A 24 7.422 8.733 -11.779 1.00 2.02 H new ATOM 0 HD13 LEU A 24 8.427 7.351 -12.276 1.00 2.02 H new ATOM 0 HD21 LEU A 24 6.402 6.108 -14.209 1.00 2.05 H new ATOM 0 HD22 LEU A 24 7.339 5.210 -12.992 1.00 2.05 H new ATOM 0 HD23 LEU A 24 5.564 5.083 -13.021 1.00 2.05 H new ATOM 356 N TYR A 25 7.202 8.850 -8.588 1.00 1.23 N ATOM 357 CA TYR A 25 8.106 10.021 -8.399 1.00 1.38 C ATOM 358 C TYR A 25 8.735 9.970 -7.005 1.00 1.34 C ATOM 359 O TYR A 25 8.344 9.183 -6.166 1.00 1.42 O ATOM 360 CB TYR A 25 7.300 11.315 -8.544 1.00 1.72 C ATOM 361 CG TYR A 25 6.657 11.663 -7.222 1.00 1.09 C ATOM 362 CD1 TYR A 25 6.164 10.647 -6.392 1.00 1.22 C ATOM 363 CD2 TYR A 25 6.554 13.001 -6.824 1.00 1.62 C ATOM 364 CE1 TYR A 25 5.569 10.970 -5.168 1.00 1.27 C ATOM 365 CE2 TYR A 25 5.959 13.325 -5.599 1.00 1.57 C ATOM 366 CZ TYR A 25 5.466 12.309 -4.771 1.00 1.08 C ATOM 367 OH TYR A 25 4.879 12.626 -3.563 1.00 1.63 O ATOM 0 H TYR A 25 7.117 8.231 -7.782 1.00 1.23 H new ATOM 0 HA TYR A 25 8.894 9.992 -9.152 1.00 1.38 H new ATOM 0 HB2 TYR A 25 7.952 12.127 -8.868 1.00 1.72 H new ATOM 0 HB3 TYR A 25 6.535 11.195 -9.311 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.244 9.614 -6.698 1.00 1.22 H new ATOM 0 HD2 TYR A 25 6.934 13.784 -7.463 1.00 1.62 H new ATOM 0 HE1 TYR A 25 5.189 10.187 -4.529 1.00 1.27 H new ATOM 0 HE2 TYR A 25 5.880 14.358 -5.293 1.00 1.57 H new ATOM 0 HH TYR A 25 4.889 13.598 -3.440 1.00 1.63 H new ATOM 377 N GLY A 26 9.701 10.809 -6.751 1.00 1.33 N ATOM 378 CA GLY A 26 10.349 10.816 -5.410 1.00 1.32 C ATOM 379 C GLY A 26 11.647 10.007 -5.451 1.00 1.25 C ATOM 380 O GLY A 26 12.588 10.293 -4.738 1.00 1.70 O ATOM 0 H GLY A 26 10.070 11.490 -7.415 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.559 11.841 -5.104 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.671 10.394 -4.668 1.00 1.32 H new ATOM 384 N THR A 27 11.710 8.997 -6.276 1.00 0.93 N ATOM 385 CA THR A 27 12.953 8.178 -6.348 1.00 0.90 C ATOM 386 C THR A 27 13.655 8.434 -7.686 1.00 0.92 C ATOM 387 O THR A 27 13.683 9.544 -8.181 1.00 0.97 O ATOM 388 CB THR A 27 12.580 6.694 -6.208 1.00 0.88 C ATOM 389 OG1 THR A 27 13.357 5.896 -7.088 1.00 0.73 O ATOM 390 CG2 THR A 27 11.097 6.507 -6.530 1.00 0.95 C ATOM 0 H THR A 27 10.958 8.705 -6.900 1.00 0.93 H new ATOM 0 HA THR A 27 13.633 8.452 -5.542 1.00 0.90 H new ATOM 0 HB THR A 27 12.780 6.381 -5.183 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.264 5.800 -6.728 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.833 5.454 -6.431 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.497 7.098 -5.838 1.00 0.95 H new ATOM 0 HG23 THR A 27 10.902 6.835 -7.551 1.00 0.95 H new ATOM 398 N SER A 28 14.222 7.420 -8.274 1.00 1.12 N ATOM 399 CA SER A 28 14.921 7.599 -9.576 1.00 1.40 C ATOM 400 C SER A 28 13.935 7.358 -10.721 1.00 1.29 C ATOM 401 O SER A 28 13.133 6.445 -10.679 1.00 0.98 O ATOM 402 CB SER A 28 16.074 6.600 -9.679 1.00 1.80 C ATOM 403 OG SER A 28 15.553 5.278 -9.653 1.00 1.73 O ATOM 0 H SER A 28 14.232 6.469 -7.907 1.00 1.12 H new ATOM 0 HA SER A 28 15.313 8.614 -9.640 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.632 6.765 -10.600 1.00 1.80 H new ATOM 0 HB3 SER A 28 16.771 6.745 -8.854 1.00 1.80 H new ATOM 0 HG SER A 28 15.810 4.809 -10.474 1.00 1.73 H new ATOM 409 N GLU A 29 13.988 8.163 -11.745 1.00 1.62 N ATOM 410 CA GLU A 29 13.055 7.972 -12.890 1.00 1.60 C ATOM 411 C GLU A 29 12.932 6.475 -13.195 1.00 1.23 C ATOM 412 O GLU A 29 13.824 5.883 -13.771 1.00 1.37 O ATOM 413 CB GLU A 29 13.607 8.696 -14.120 1.00 2.07 C ATOM 414 CG GLU A 29 13.728 10.192 -13.820 1.00 1.86 C ATOM 415 CD GLU A 29 13.326 10.995 -15.059 1.00 1.99 C ATOM 416 OE1 GLU A 29 12.203 10.833 -15.506 1.00 2.40 O ATOM 417 OE2 GLU A 29 14.148 11.758 -15.539 1.00 2.35 O ATOM 0 H GLU A 29 14.637 8.945 -11.839 1.00 1.62 H new ATOM 0 HA GLU A 29 12.075 8.377 -12.637 1.00 1.60 H new ATOM 0 HB2 GLU A 29 14.581 8.288 -14.388 1.00 2.07 H new ATOM 0 HB3 GLU A 29 12.949 8.538 -14.974 1.00 2.07 H new ATOM 0 HG2 GLU A 29 13.089 10.458 -12.978 1.00 1.86 H new ATOM 0 HG3 GLU A 29 14.751 10.435 -13.532 1.00 1.86 H new ATOM 424 N PRO A 30 11.841 5.862 -12.813 1.00 0.95 N ATOM 425 CA PRO A 30 11.616 4.409 -13.055 1.00 0.81 C ATOM 426 C PRO A 30 11.955 4.012 -14.493 1.00 0.80 C ATOM 427 O PRO A 30 11.951 4.832 -15.388 1.00 0.86 O ATOM 428 CB PRO A 30 10.124 4.218 -12.783 1.00 0.94 C ATOM 429 CG PRO A 30 9.738 5.323 -11.856 1.00 1.13 C ATOM 430 CD PRO A 30 10.704 6.483 -12.113 1.00 1.10 C ATOM 0 HA PRO A 30 12.251 3.787 -12.424 1.00 0.81 H new ATOM 0 HB2 PRO A 30 9.548 4.263 -13.708 1.00 0.94 H new ATOM 0 HB3 PRO A 30 9.929 3.244 -12.334 1.00 0.94 H new ATOM 0 HG2 PRO A 30 8.708 5.633 -12.033 1.00 1.13 H new ATOM 0 HG3 PRO A 30 9.798 4.994 -10.818 1.00 1.13 H new ATOM 0 HD2 PRO A 30 10.240 7.260 -12.720 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.019 6.952 -11.181 1.00 1.10 H new ATOM 438 N VAL A 31 12.253 2.762 -14.726 1.00 0.80 N ATOM 439 CA VAL A 31 12.595 2.333 -16.112 1.00 0.82 C ATOM 440 C VAL A 31 12.042 0.931 -16.380 1.00 0.78 C ATOM 441 O VAL A 31 12.367 -0.017 -15.692 1.00 0.84 O ATOM 442 CB VAL A 31 14.116 2.319 -16.278 1.00 0.92 C ATOM 443 CG1 VAL A 31 14.470 1.898 -17.706 1.00 0.99 C ATOM 444 CG2 VAL A 31 14.670 3.720 -16.008 1.00 1.05 C ATOM 0 H VAL A 31 12.274 2.024 -14.022 1.00 0.80 H new ATOM 0 HA VAL A 31 12.152 3.032 -16.821 1.00 0.82 H new ATOM 0 HB VAL A 31 14.552 1.612 -15.572 1.00 0.92 H new ATOM 0 HG11 VAL A 31 15.554 1.888 -17.824 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.075 0.901 -17.900 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.034 2.605 -18.412 1.00 0.99 H new ATOM 0 HG21 VAL A 31 15.754 3.712 -16.126 1.00 1.05 H new ATOM 0 HG22 VAL A 31 14.234 4.426 -16.714 1.00 1.05 H new ATOM 0 HG23 VAL A 31 14.418 4.021 -14.991 1.00 1.05 H new ATOM 454 N PHE A 32 11.218 0.793 -17.384 1.00 0.74 N ATOM 455 CA PHE A 32 10.651 -0.546 -17.711 1.00 0.77 C ATOM 456 C PHE A 32 11.702 -1.380 -18.446 1.00 0.87 C ATOM 457 O PHE A 32 11.743 -1.422 -19.659 1.00 1.19 O ATOM 458 CB PHE A 32 9.410 -0.377 -18.593 1.00 0.78 C ATOM 459 CG PHE A 32 9.529 0.887 -19.413 1.00 0.93 C ATOM 460 CD1 PHE A 32 10.783 1.333 -19.850 1.00 1.50 C ATOM 461 CD2 PHE A 32 8.378 1.615 -19.736 1.00 1.63 C ATOM 462 CE1 PHE A 32 10.884 2.506 -20.608 1.00 1.78 C ATOM 463 CE2 PHE A 32 8.478 2.787 -20.494 1.00 1.82 C ATOM 464 CZ PHE A 32 9.732 3.232 -20.931 1.00 1.56 C ATOM 0 H PHE A 32 10.913 1.552 -17.993 1.00 0.74 H new ATOM 0 HA PHE A 32 10.368 -1.056 -16.790 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.301 -1.239 -19.251 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.515 -0.335 -17.972 1.00 0.78 H new ATOM 0 HD1 PHE A 32 11.672 0.772 -19.602 1.00 1.50 H new ATOM 0 HD2 PHE A 32 7.411 1.272 -19.400 1.00 1.63 H new ATOM 0 HE1 PHE A 32 11.851 2.851 -20.943 1.00 1.78 H new ATOM 0 HE2 PHE A 32 7.589 3.348 -20.742 1.00 1.82 H new ATOM 0 HZ PHE A 32 9.810 4.136 -21.517 1.00 1.56 H new ATOM 474 N ALA A 33 12.556 -2.041 -17.714 1.00 0.77 N ATOM 475 CA ALA A 33 13.612 -2.870 -18.362 1.00 0.84 C ATOM 476 C ALA A 33 12.965 -3.892 -19.299 1.00 0.67 C ATOM 477 O ALA A 33 12.013 -3.599 -19.994 1.00 0.92 O ATOM 478 CB ALA A 33 14.416 -3.603 -17.286 1.00 1.17 C ATOM 0 H ALA A 33 12.568 -2.043 -16.694 1.00 0.77 H new ATOM 0 HA ALA A 33 14.275 -2.223 -18.937 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.188 -4.209 -17.759 1.00 1.17 H new ATOM 0 HB2 ALA A 33 14.882 -2.876 -16.621 1.00 1.17 H new ATOM 0 HB3 ALA A 33 13.751 -4.247 -16.710 1.00 1.17 H new ATOM 484 N ASP A 34 13.478 -5.092 -19.325 1.00 0.77 N ATOM 485 CA ASP A 34 12.896 -6.133 -20.217 1.00 0.85 C ATOM 486 C ASP A 34 11.379 -6.178 -20.028 1.00 0.84 C ATOM 487 O ASP A 34 10.622 -5.833 -20.914 1.00 0.99 O ATOM 488 CB ASP A 34 13.494 -7.498 -19.867 1.00 1.13 C ATOM 489 CG ASP A 34 13.407 -8.421 -21.083 1.00 1.54 C ATOM 490 OD1 ASP A 34 12.365 -8.435 -21.718 1.00 1.78 O ATOM 491 OD2 ASP A 34 14.382 -9.099 -21.358 1.00 2.21 O ATOM 0 H ASP A 34 14.276 -5.396 -18.766 1.00 0.77 H new ATOM 0 HA ASP A 34 13.126 -5.891 -21.255 1.00 0.85 H new ATOM 0 HB2 ASP A 34 14.533 -7.383 -19.558 1.00 1.13 H new ATOM 0 HB3 ASP A 34 12.958 -7.937 -19.025 1.00 1.13 H new ATOM 496 N GLY A 35 10.928 -6.599 -18.879 1.00 0.84 N ATOM 497 CA GLY A 35 9.459 -6.665 -18.634 1.00 1.02 C ATOM 498 C GLY A 35 9.163 -6.287 -17.183 1.00 0.90 C ATOM 499 O GLY A 35 8.436 -6.970 -16.489 1.00 1.19 O ATOM 0 H GLY A 35 11.512 -6.900 -18.099 1.00 0.84 H new ATOM 0 HA2 GLY A 35 8.937 -5.988 -19.310 1.00 1.02 H new ATOM 0 HA3 GLY A 35 9.090 -7.670 -18.841 1.00 1.02 H new ATOM 503 N ARG A 36 9.719 -5.203 -16.715 1.00 0.66 N ATOM 504 CA ARG A 36 9.466 -4.784 -15.309 1.00 0.63 C ATOM 505 C ARG A 36 10.033 -3.383 -15.080 1.00 0.62 C ATOM 506 O ARG A 36 11.020 -2.996 -15.675 1.00 0.68 O ATOM 507 CB ARG A 36 10.144 -5.767 -14.352 1.00 0.70 C ATOM 508 CG ARG A 36 11.237 -6.531 -15.098 1.00 1.16 C ATOM 509 CD ARG A 36 12.297 -7.033 -14.120 1.00 1.40 C ATOM 510 NE ARG A 36 11.829 -8.319 -13.508 1.00 2.02 N ATOM 511 CZ ARG A 36 10.841 -8.365 -12.660 1.00 2.19 C ATOM 512 NH1 ARG A 36 10.357 -7.265 -12.152 1.00 2.28 N ATOM 513 NH2 ARG A 36 10.372 -9.519 -12.271 1.00 2.91 N ATOM 0 H ARG A 36 10.337 -4.590 -17.246 1.00 0.66 H new ATOM 0 HA ARG A 36 8.392 -4.776 -15.124 1.00 0.63 H new ATOM 0 HB2 ARG A 36 10.573 -5.230 -13.506 1.00 0.70 H new ATOM 0 HB3 ARG A 36 9.409 -6.464 -13.948 1.00 0.70 H new ATOM 0 HG2 ARG A 36 10.800 -7.373 -15.634 1.00 1.16 H new ATOM 0 HG3 ARG A 36 11.698 -5.883 -15.844 1.00 1.16 H new ATOM 0 HD2 ARG A 36 13.244 -7.185 -14.637 1.00 1.40 H new ATOM 0 HD3 ARG A 36 12.474 -6.289 -13.343 1.00 1.40 H new ATOM 0 HE ARG A 36 12.300 -9.187 -13.764 1.00 2.02 H new ATOM 0 HH11 ARG A 36 10.752 -6.363 -12.418 1.00 2.28 H new ATOM 0 HH12 ARG A 36 9.583 -7.307 -11.489 1.00 2.28 H new ATOM 0 HH21 ARG A 36 10.779 -10.382 -12.631 1.00 2.91 H new ATOM 0 HH22 ARG A 36 9.599 -9.558 -11.607 1.00 2.91 H new ATOM 527 N MET A 37 9.418 -2.618 -14.220 1.00 0.63 N ATOM 528 CA MET A 37 9.923 -1.244 -13.948 1.00 0.67 C ATOM 529 C MET A 37 10.517 -1.199 -12.542 1.00 0.68 C ATOM 530 O MET A 37 9.893 -1.606 -11.581 1.00 0.67 O ATOM 531 CB MET A 37 8.767 -0.246 -14.052 1.00 0.71 C ATOM 532 CG MET A 37 9.287 1.170 -13.795 1.00 0.75 C ATOM 533 SD MET A 37 7.899 2.254 -13.379 1.00 0.88 S ATOM 534 CE MET A 37 7.755 1.779 -11.639 1.00 0.93 C ATOM 0 H MET A 37 8.587 -2.886 -13.694 1.00 0.63 H new ATOM 0 HA MET A 37 10.690 -0.982 -14.677 1.00 0.67 H new ATOM 0 HB2 MET A 37 8.312 -0.303 -15.041 1.00 0.71 H new ATOM 0 HB3 MET A 37 7.991 -0.496 -13.329 1.00 0.71 H new ATOM 0 HG2 MET A 37 10.012 1.161 -12.981 1.00 0.75 H new ATOM 0 HG3 MET A 37 9.804 1.545 -14.678 1.00 0.75 H new ATOM 0 HE1 MET A 37 6.709 1.585 -11.400 1.00 0.93 H new ATOM 0 HE2 MET A 37 8.342 0.878 -11.458 1.00 0.93 H new ATOM 0 HE3 MET A 37 8.127 2.587 -11.009 1.00 0.93 H new ATOM 544 N CYS A 38 11.721 -0.714 -12.411 1.00 0.73 N ATOM 545 CA CYS A 38 12.346 -0.658 -11.061 1.00 0.78 C ATOM 546 C CYS A 38 12.760 0.776 -10.730 1.00 0.89 C ATOM 547 O CYS A 38 12.919 1.609 -11.603 1.00 0.88 O ATOM 548 CB CYS A 38 13.580 -1.561 -11.031 1.00 0.79 C ATOM 549 SG CYS A 38 13.641 -2.453 -9.456 1.00 1.06 S ATOM 0 H CYS A 38 12.295 -0.357 -13.175 1.00 0.73 H new ATOM 0 HA CYS A 38 11.621 -0.999 -10.322 1.00 0.78 H new ATOM 0 HB2 CYS A 38 13.546 -2.268 -11.860 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.483 -0.964 -11.158 1.00 0.79 H new ATOM 554 N VAL A 39 12.942 1.061 -9.470 1.00 1.04 N ATOM 555 CA VAL A 39 13.357 2.430 -9.058 1.00 1.18 C ATOM 556 C VAL A 39 14.575 2.323 -8.139 1.00 1.37 C ATOM 557 O VAL A 39 14.614 1.506 -7.239 1.00 1.26 O ATOM 558 CB VAL A 39 12.210 3.108 -8.307 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.199 3.663 -9.311 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.519 2.085 -7.404 1.00 1.26 C ATOM 0 H VAL A 39 12.820 0.399 -8.704 1.00 1.04 H new ATOM 0 HA VAL A 39 13.608 3.021 -9.939 1.00 1.18 H new ATOM 0 HB VAL A 39 12.605 3.923 -7.701 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.382 4.146 -8.775 1.00 1.26 H new ATOM 0 HG12 VAL A 39 11.690 4.391 -9.957 1.00 1.26 H new ATOM 0 HG13 VAL A 39 10.804 2.848 -9.917 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.701 2.567 -6.868 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.125 1.271 -8.012 1.00 1.26 H new ATOM 0 HG23 VAL A 39 12.238 1.688 -6.688 1.00 1.26 H new ATOM 570 N ASP A 40 15.572 3.136 -8.363 1.00 1.71 N ATOM 571 CA ASP A 40 16.790 3.077 -7.507 1.00 1.97 C ATOM 572 C ASP A 40 16.485 3.678 -6.134 1.00 1.61 C ATOM 573 O ASP A 40 16.363 4.878 -5.984 1.00 2.31 O ATOM 574 CB ASP A 40 17.917 3.870 -8.171 1.00 3.21 C ATOM 575 CG ASP A 40 18.721 2.946 -9.088 1.00 4.09 C ATOM 576 OD1 ASP A 40 18.244 2.660 -10.173 1.00 4.39 O ATOM 577 OD2 ASP A 40 19.800 2.540 -8.689 1.00 4.79 O ATOM 0 H ASP A 40 15.595 3.838 -9.102 1.00 1.71 H new ATOM 0 HA ASP A 40 17.096 2.038 -7.386 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.503 4.699 -8.745 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.568 4.302 -7.411 1.00 3.21 H new ATOM 582 N LEU A 41 16.366 2.854 -5.129 1.00 1.25 N ATOM 583 CA LEU A 41 16.073 3.376 -3.766 1.00 1.86 C ATOM 584 C LEU A 41 17.228 3.018 -2.827 1.00 1.67 C ATOM 585 O LEU A 41 17.050 2.316 -1.854 1.00 1.20 O ATOM 586 CB LEU A 41 14.782 2.744 -3.241 1.00 2.45 C ATOM 587 CG LEU A 41 13.588 3.613 -3.639 1.00 2.88 C ATOM 588 CD1 LEU A 41 13.639 4.933 -2.868 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.645 3.900 -5.141 1.00 3.54 C ATOM 0 H LEU A 41 16.459 1.840 -5.194 1.00 1.25 H new ATOM 0 HA LEU A 41 15.956 4.459 -3.810 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.665 1.739 -3.647 1.00 2.45 H new ATOM 0 HB3 LEU A 41 14.828 2.646 -2.156 1.00 2.45 H new ATOM 0 HG LEU A 41 12.662 3.088 -3.403 1.00 2.88 H new ATOM 0 HD11 LEU A 41 12.788 5.553 -3.151 1.00 2.65 H new ATOM 0 HD12 LEU A 41 13.600 4.731 -1.798 1.00 2.65 H new ATOM 0 HD13 LEU A 41 14.565 5.457 -3.105 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.794 4.519 -5.426 1.00 3.54 H new ATOM 0 HD22 LEU A 41 14.571 4.425 -5.376 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.610 2.960 -5.693 1.00 3.54 H new ATOM 601 N PRO A 42 18.404 3.500 -3.126 1.00 2.30 N ATOM 602 CA PRO A 42 19.619 3.231 -2.303 1.00 2.32 C ATOM 603 C PRO A 42 19.490 3.781 -0.881 1.00 1.85 C ATOM 604 O PRO A 42 19.009 3.111 0.012 1.00 2.18 O ATOM 605 CB PRO A 42 20.750 3.946 -3.053 1.00 3.11 C ATOM 606 CG PRO A 42 20.082 4.929 -3.956 1.00 3.74 C ATOM 607 CD PRO A 42 18.703 4.358 -4.281 1.00 3.24 C ATOM 0 HA PRO A 42 19.791 2.161 -2.185 1.00 2.32 H new ATOM 0 HB2 PRO A 42 21.423 4.448 -2.358 1.00 3.11 H new ATOM 0 HB3 PRO A 42 21.351 3.237 -3.623 1.00 3.11 H new ATOM 0 HG2 PRO A 42 19.994 5.902 -3.472 1.00 3.74 H new ATOM 0 HG3 PRO A 42 20.664 5.077 -4.866 1.00 3.74 H new ATOM 0 HD2 PRO A 42 17.960 5.147 -4.398 1.00 3.24 H new ATOM 0 HD3 PRO A 42 18.713 3.789 -5.211 1.00 3.24 H new ATOM 615 N GLY A 43 19.915 4.995 -0.661 1.00 1.69 N ATOM 616 CA GLY A 43 19.816 5.582 0.705 1.00 1.65 C ATOM 617 C GLY A 43 19.667 7.101 0.599 1.00 1.62 C ATOM 618 O GLY A 43 20.013 7.700 -0.400 1.00 2.03 O ATOM 0 H GLY A 43 20.326 5.605 -1.367 1.00 1.69 H new ATOM 0 HA2 GLY A 43 18.962 5.158 1.233 1.00 1.65 H new ATOM 0 HA3 GLY A 43 20.705 5.333 1.285 1.00 1.65 H new ATOM 622 N GLY A 44 19.155 7.728 1.621 1.00 1.61 N ATOM 623 CA GLY A 44 18.986 9.208 1.578 1.00 2.13 C ATOM 624 C GLY A 44 17.499 9.548 1.466 1.00 2.06 C ATOM 625 O GLY A 44 17.107 10.419 0.714 1.00 2.41 O ATOM 0 H GLY A 44 18.846 7.280 2.484 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.406 9.659 2.477 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.530 9.622 0.729 1.00 2.13 H new ATOM 629 N GLN A 45 16.667 8.869 2.206 1.00 1.86 N ATOM 630 CA GLN A 45 15.207 9.155 2.140 1.00 1.96 C ATOM 631 C GLN A 45 14.810 10.037 3.327 1.00 1.90 C ATOM 632 O GLN A 45 15.388 9.957 4.392 1.00 1.92 O ATOM 633 CB GLN A 45 14.431 7.837 2.194 1.00 2.10 C ATOM 634 CG GLN A 45 14.214 7.315 0.772 1.00 2.29 C ATOM 635 CD GLN A 45 12.956 7.952 0.180 1.00 2.34 C ATOM 636 OE1 GLN A 45 13.041 8.848 -0.635 1.00 2.96 O ATOM 637 NE2 GLN A 45 11.783 7.523 0.558 1.00 2.07 N ATOM 0 H GLN A 45 16.935 8.128 2.854 1.00 1.86 H new ATOM 0 HA GLN A 45 14.974 9.674 1.210 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.981 7.103 2.783 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.471 7.988 2.688 1.00 2.10 H new ATOM 0 HG2 GLN A 45 15.079 7.549 0.152 1.00 2.29 H new ATOM 0 HG3 GLN A 45 14.114 6.230 0.783 1.00 2.29 H new ATOM 0 HE21 GLN A 45 11.712 6.770 1.243 1.00 2.07 H new ATOM 0 HE22 GLN A 45 10.938 7.940 0.169 1.00 2.07 H new ATOM 646 N GLY A 46 13.833 10.884 3.149 1.00 2.04 N ATOM 647 CA GLY A 46 13.408 11.776 4.266 1.00 2.08 C ATOM 648 C GLY A 46 12.090 11.277 4.860 1.00 2.01 C ATOM 649 O GLY A 46 12.043 10.795 5.975 1.00 2.08 O ATOM 0 H GLY A 46 13.311 10.997 2.280 1.00 2.04 H new ATOM 0 HA2 GLY A 46 14.178 11.800 5.037 1.00 2.08 H new ATOM 0 HA3 GLY A 46 13.289 12.797 3.903 1.00 2.08 H new ATOM 653 N ASN A 47 11.014 11.392 4.128 1.00 2.09 N ATOM 654 CA ASN A 47 9.702 10.932 4.657 1.00 2.14 C ATOM 655 C ASN A 47 9.373 9.549 4.085 1.00 1.80 C ATOM 656 O ASN A 47 9.698 9.245 2.954 1.00 1.63 O ATOM 657 CB ASN A 47 8.612 11.923 4.248 1.00 2.60 C ATOM 658 CG ASN A 47 8.845 12.369 2.804 1.00 2.84 C ATOM 659 OD1 ASN A 47 8.630 11.609 1.880 1.00 2.65 O ATOM 660 ND2 ASN A 47 9.279 13.577 2.568 1.00 3.61 N ATOM 0 H ASN A 47 10.989 11.785 3.187 1.00 2.09 H new ATOM 0 HA ASN A 47 9.752 10.872 5.744 1.00 2.14 H new ATOM 0 HB2 ASN A 47 7.630 11.460 4.343 1.00 2.60 H new ATOM 0 HB3 ASN A 47 8.623 12.787 4.913 1.00 2.60 H new ATOM 0 HD21 ASN A 47 9.438 13.883 1.608 1.00 3.61 H new ATOM 0 HD22 ASN A 47 9.459 14.215 3.343 1.00 3.61 H new ATOM 667 N PRO A 48 8.730 8.718 4.863 1.00 1.85 N ATOM 668 CA PRO A 48 8.346 7.345 4.437 1.00 1.74 C ATOM 669 C PRO A 48 7.792 7.297 3.009 1.00 1.36 C ATOM 670 O PRO A 48 7.761 6.255 2.385 1.00 1.19 O ATOM 671 CB PRO A 48 7.258 6.947 5.434 1.00 2.19 C ATOM 672 CG PRO A 48 7.531 7.743 6.669 1.00 2.36 C ATOM 673 CD PRO A 48 8.299 8.998 6.244 1.00 2.21 C ATOM 0 HA PRO A 48 9.208 6.678 4.430 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.266 7.165 5.039 1.00 2.19 H new ATOM 0 HB3 PRO A 48 7.290 5.878 5.642 1.00 2.19 H new ATOM 0 HG2 PRO A 48 6.599 8.013 7.166 1.00 2.36 H new ATOM 0 HG3 PRO A 48 8.114 7.159 7.381 1.00 2.36 H new ATOM 0 HD2 PRO A 48 7.667 9.885 6.290 1.00 2.21 H new ATOM 0 HD3 PRO A 48 9.153 9.181 6.897 1.00 2.21 H new ATOM 681 N TRP A 49 7.344 8.406 2.486 1.00 1.49 N ATOM 682 CA TRP A 49 6.786 8.395 1.104 1.00 1.39 C ATOM 683 C TRP A 49 7.594 9.326 0.196 1.00 1.17 C ATOM 684 O TRP A 49 7.052 9.977 -0.676 1.00 1.45 O ATOM 685 CB TRP A 49 5.326 8.848 1.141 1.00 1.79 C ATOM 686 CG TRP A 49 5.116 9.789 2.285 1.00 1.85 C ATOM 687 CD1 TRP A 49 4.472 9.480 3.433 1.00 1.69 C ATOM 688 CD2 TRP A 49 5.534 11.179 2.410 1.00 2.46 C ATOM 689 NE1 TRP A 49 4.467 10.591 4.256 1.00 1.97 N ATOM 690 CE2 TRP A 49 5.109 11.664 3.671 1.00 2.36 C ATOM 691 CE3 TRP A 49 6.231 12.056 1.563 1.00 3.27 C ATOM 692 CZ2 TRP A 49 5.368 12.976 4.074 1.00 2.90 C ATOM 693 CZ3 TRP A 49 6.494 13.375 1.966 1.00 3.87 C ATOM 694 CH2 TRP A 49 6.064 13.835 3.218 1.00 3.62 C ATOM 0 H TRP A 49 7.340 9.313 2.952 1.00 1.49 H new ATOM 0 HA TRP A 49 6.845 7.382 0.706 1.00 1.39 H new ATOM 0 HB2 TRP A 49 5.064 9.337 0.203 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.670 7.984 1.244 1.00 1.79 H new ATOM 0 HD1 TRP A 49 4.033 8.522 3.669 1.00 1.69 H new ATOM 0 HE1 TRP A 49 4.041 10.615 5.182 1.00 1.97 H new ATOM 0 HE3 TRP A 49 6.567 11.714 0.595 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 5.033 13.324 5.040 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 7.032 14.040 1.306 1.00 3.87 H new ATOM 0 HH2 TRP A 49 6.270 14.851 3.521 1.00 3.62 H new ATOM 705 N ASP A 50 8.885 9.386 0.378 1.00 1.07 N ATOM 706 CA ASP A 50 9.715 10.266 -0.491 1.00 1.36 C ATOM 707 C ASP A 50 9.963 9.561 -1.826 1.00 1.21 C ATOM 708 O ASP A 50 10.615 10.086 -2.707 1.00 1.27 O ATOM 709 CB ASP A 50 11.056 10.553 0.189 1.00 1.73 C ATOM 710 CG ASP A 50 10.940 11.823 1.032 1.00 2.02 C ATOM 711 OD1 ASP A 50 10.148 12.680 0.672 1.00 2.38 O ATOM 712 OD2 ASP A 50 11.647 11.922 2.020 1.00 2.14 O ATOM 0 H ASP A 50 9.399 8.865 1.089 1.00 1.07 H new ATOM 0 HA ASP A 50 9.191 11.207 -0.660 1.00 1.36 H new ATOM 0 HB2 ASP A 50 11.344 9.711 0.819 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.838 10.672 -0.561 1.00 1.73 H new ATOM 717 N ALA A 51 9.447 8.371 -1.981 1.00 1.09 N ATOM 718 CA ALA A 51 9.650 7.628 -3.256 1.00 1.02 C ATOM 719 C ALA A 51 8.685 6.443 -3.310 1.00 0.89 C ATOM 720 O ALA A 51 8.631 5.634 -2.405 1.00 0.87 O ATOM 721 CB ALA A 51 11.091 7.118 -3.324 1.00 1.11 C ATOM 0 H ALA A 51 8.893 7.882 -1.278 1.00 1.09 H new ATOM 0 HA ALA A 51 9.460 8.291 -4.100 1.00 1.02 H new ATOM 0 HB1 ALA A 51 11.241 6.574 -4.257 1.00 1.11 H new ATOM 0 HB2 ALA A 51 11.778 7.963 -3.282 1.00 1.11 H new ATOM 0 HB3 ALA A 51 11.282 6.453 -2.482 1.00 1.11 H new ATOM 727 N GLY A 52 7.920 6.333 -4.362 1.00 0.86 N ATOM 728 CA GLY A 52 6.961 5.198 -4.463 1.00 0.86 C ATOM 729 C GLY A 52 6.001 5.432 -5.630 1.00 0.87 C ATOM 730 O GLY A 52 6.147 6.371 -6.390 1.00 0.94 O ATOM 0 H GLY A 52 7.918 6.978 -5.153 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.503 4.264 -4.608 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.400 5.100 -3.533 1.00 0.86 H new ATOM 734 N LEU A 53 5.017 4.585 -5.780 1.00 0.83 N ATOM 735 CA LEU A 53 4.048 4.760 -6.896 1.00 0.84 C ATOM 736 C LEU A 53 2.713 5.258 -6.341 1.00 0.79 C ATOM 737 O LEU A 53 2.567 5.483 -5.157 1.00 0.78 O ATOM 738 CB LEU A 53 3.820 3.428 -7.613 1.00 0.85 C ATOM 739 CG LEU A 53 5.130 2.647 -7.701 1.00 0.90 C ATOM 740 CD1 LEU A 53 4.932 1.448 -8.629 1.00 0.90 C ATOM 741 CD2 LEU A 53 6.232 3.546 -8.264 1.00 0.96 C ATOM 0 H LEU A 53 4.844 3.781 -5.177 1.00 0.83 H new ATOM 0 HA LEU A 53 4.454 5.485 -7.601 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.073 2.841 -7.078 1.00 0.85 H new ATOM 0 HB3 LEU A 53 3.427 3.608 -8.614 1.00 0.85 H new ATOM 0 HG LEU A 53 5.419 2.306 -6.707 1.00 0.90 H new ATOM 0 HD11 LEU A 53 5.862 0.884 -8.698 1.00 0.90 H new ATOM 0 HD12 LEU A 53 4.147 0.805 -8.231 1.00 0.90 H new ATOM 0 HD13 LEU A 53 4.646 1.799 -9.621 1.00 0.90 H new ATOM 0 HD21 LEU A 53 7.164 2.984 -8.325 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.949 3.888 -9.259 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.369 4.407 -7.610 1.00 0.96 H new ATOM 753 N VAL A 54 1.736 5.426 -7.190 1.00 0.79 N ATOM 754 CA VAL A 54 0.409 5.908 -6.714 1.00 0.78 C ATOM 755 C VAL A 54 -0.644 5.681 -7.803 1.00 0.80 C ATOM 756 O VAL A 54 -0.326 5.416 -8.945 1.00 0.90 O ATOM 757 CB VAL A 54 0.478 7.406 -6.392 1.00 0.89 C ATOM 758 CG1 VAL A 54 0.029 7.641 -4.948 1.00 0.92 C ATOM 759 CG2 VAL A 54 1.910 7.925 -6.563 1.00 0.92 C ATOM 0 H VAL A 54 1.800 5.250 -8.193 1.00 0.79 H new ATOM 0 HA VAL A 54 0.137 5.355 -5.815 1.00 0.78 H new ATOM 0 HB VAL A 54 -0.179 7.940 -7.078 1.00 0.89 H new ATOM 0 HG11 VAL A 54 0.078 8.706 -4.720 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -0.996 7.291 -4.824 1.00 0.92 H new ATOM 0 HG13 VAL A 54 0.684 7.094 -4.270 1.00 0.92 H new ATOM 0 HG21 VAL A 54 1.941 8.989 -6.331 1.00 0.92 H new ATOM 0 HG22 VAL A 54 2.575 7.386 -5.888 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.233 7.769 -7.592 1.00 0.92 H new ATOM 769 N TYR A 55 -1.899 5.798 -7.457 1.00 0.78 N ATOM 770 CA TYR A 55 -2.980 5.606 -8.466 1.00 0.82 C ATOM 771 C TYR A 55 -4.342 5.805 -7.796 1.00 0.81 C ATOM 772 O TYR A 55 -4.580 5.342 -6.699 1.00 1.06 O ATOM 773 CB TYR A 55 -2.904 4.193 -9.052 1.00 0.83 C ATOM 774 CG TYR A 55 -4.033 3.999 -10.037 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.182 4.881 -11.115 1.00 1.54 C ATOM 776 CD2 TYR A 55 -4.937 2.940 -9.871 1.00 1.59 C ATOM 777 CE1 TYR A 55 -5.232 4.707 -12.024 1.00 1.71 C ATOM 778 CE2 TYR A 55 -5.988 2.766 -10.780 1.00 1.70 C ATOM 779 CZ TYR A 55 -6.135 3.652 -11.857 1.00 1.37 C ATOM 780 OH TYR A 55 -7.173 3.488 -12.752 1.00 1.61 O ATOM 0 H TYR A 55 -2.222 6.019 -6.515 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.854 6.333 -9.268 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.945 4.043 -9.547 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.970 3.452 -8.255 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.486 5.696 -11.245 1.00 1.54 H new ATOM 0 HD2 TYR A 55 -4.823 2.258 -9.041 1.00 1.59 H new ATOM 0 HE1 TYR A 55 -5.345 5.388 -12.855 1.00 1.71 H new ATOM 0 HE2 TYR A 55 -6.684 1.951 -10.652 1.00 1.70 H new ATOM 0 HH TYR A 55 -6.901 3.821 -13.633 1.00 1.61 H new ATOM 790 N ASN A 56 -5.238 6.495 -8.449 1.00 0.93 N ATOM 791 CA ASN A 56 -6.581 6.727 -7.856 1.00 1.01 C ATOM 792 C ASN A 56 -7.652 6.113 -8.760 1.00 1.28 C ATOM 793 O ASN A 56 -8.218 6.776 -9.606 1.00 2.04 O ATOM 794 CB ASN A 56 -6.819 8.232 -7.731 1.00 1.81 C ATOM 795 CG ASN A 56 -6.332 8.716 -6.364 1.00 2.22 C ATOM 796 OD1 ASN A 56 -5.201 8.269 -5.892 1.00 2.78 O flip ATOM 797 ND2 ASN A 56 -6.988 9.510 -5.718 1.00 2.47 N flip ATOM 0 H ASN A 56 -5.095 6.908 -9.370 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.633 6.264 -6.871 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.291 8.761 -8.525 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -7.879 8.454 -7.850 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -7.872 9.860 -6.086 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -6.654 9.826 -4.808 1.00 2.47 H new ATOM 804 N GLY A 57 -7.935 4.851 -8.588 1.00 1.18 N ATOM 805 CA GLY A 57 -8.969 4.197 -9.439 1.00 1.77 C ATOM 806 C GLY A 57 -9.411 2.884 -8.791 1.00 1.64 C ATOM 807 O GLY A 57 -9.172 1.813 -9.311 1.00 2.48 O ATOM 0 H GLY A 57 -7.495 4.245 -7.896 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -9.825 4.860 -9.562 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -8.568 4.006 -10.434 1.00 1.77 H new ATOM 811 N VAL A 58 -10.056 2.958 -7.658 1.00 1.34 N ATOM 812 CA VAL A 58 -10.512 1.714 -6.979 1.00 1.99 C ATOM 813 C VAL A 58 -11.522 2.069 -5.885 1.00 1.78 C ATOM 814 O VAL A 58 -11.171 2.228 -4.733 1.00 1.95 O ATOM 815 CB VAL A 58 -9.311 1.002 -6.353 1.00 2.93 C ATOM 816 CG1 VAL A 58 -8.489 2.005 -5.540 1.00 3.79 C ATOM 817 CG2 VAL A 58 -9.804 -0.116 -5.432 1.00 2.88 C ATOM 0 H VAL A 58 -10.286 3.826 -7.175 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.983 1.056 -7.709 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.690 0.577 -7.142 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -7.633 1.498 -5.094 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -8.137 2.802 -6.195 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -9.110 2.430 -4.752 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -8.949 -0.624 -4.986 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -10.425 0.309 -4.644 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -10.390 -0.831 -6.009 1.00 2.88 H new ATOM 827 N PRO A 59 -12.768 2.193 -6.251 1.00 1.85 N ATOM 828 CA PRO A 59 -13.860 2.534 -5.295 1.00 1.84 C ATOM 829 C PRO A 59 -13.819 1.665 -4.036 1.00 1.90 C ATOM 830 O PRO A 59 -13.024 0.753 -3.927 1.00 2.05 O ATOM 831 CB PRO A 59 -15.139 2.264 -6.090 1.00 2.07 C ATOM 832 CG PRO A 59 -14.751 2.396 -7.526 1.00 2.39 C ATOM 833 CD PRO A 59 -13.272 2.017 -7.622 1.00 2.40 C ATOM 0 HA PRO A 59 -13.779 3.561 -4.938 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.530 1.269 -5.879 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.922 2.976 -5.828 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -15.359 1.743 -8.152 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.912 3.415 -7.878 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -13.145 0.990 -7.965 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.741 2.657 -8.327 1.00 2.40 H new ATOM 841 N VAL A 60 -14.668 1.941 -3.085 1.00 2.10 N ATOM 842 CA VAL A 60 -14.673 1.128 -1.835 1.00 2.46 C ATOM 843 C VAL A 60 -16.117 0.819 -1.432 1.00 2.53 C ATOM 844 O VAL A 60 -16.962 1.690 -1.398 1.00 2.50 O ATOM 845 CB VAL A 60 -13.988 1.913 -0.715 1.00 2.79 C ATOM 846 CG1 VAL A 60 -13.977 1.073 0.565 1.00 3.08 C ATOM 847 CG2 VAL A 60 -12.549 2.232 -1.126 1.00 2.93 C ATOM 0 H VAL A 60 -15.357 2.692 -3.118 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.137 0.195 -2.006 1.00 2.46 H new ATOM 0 HB VAL A 60 -14.531 2.841 -0.536 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -13.489 1.632 1.363 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -15.001 0.842 0.858 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -13.433 0.145 0.387 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -12.059 2.792 -0.329 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -12.007 1.303 -1.304 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -12.555 2.829 -2.038 1.00 2.93 H new ATOM 857 N GLY A 61 -16.405 -0.417 -1.126 1.00 2.83 N ATOM 858 CA GLY A 61 -17.793 -0.782 -0.724 1.00 3.05 C ATOM 859 C GLY A 61 -17.788 -1.297 0.716 1.00 2.72 C ATOM 860 O GLY A 61 -17.800 -2.487 0.959 1.00 2.61 O ATOM 0 H GLY A 61 -15.739 -1.190 -1.137 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.448 0.085 -0.809 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.188 -1.546 -1.393 1.00 3.05 H new ATOM 864 N GLU A 62 -17.767 -0.409 1.672 1.00 3.03 N ATOM 865 CA GLU A 62 -17.760 -0.846 3.097 1.00 2.96 C ATOM 866 C GLU A 62 -18.608 -2.111 3.250 1.00 2.29 C ATOM 867 O GLU A 62 -19.794 -2.109 2.985 1.00 2.02 O ATOM 868 CB GLU A 62 -18.340 0.265 3.974 1.00 4.03 C ATOM 869 CG GLU A 62 -18.610 -0.281 5.378 1.00 4.32 C ATOM 870 CD GLU A 62 -18.709 0.882 6.367 1.00 5.32 C ATOM 871 OE1 GLU A 62 -19.079 1.965 5.945 1.00 5.54 O ATOM 872 OE2 GLU A 62 -18.414 0.669 7.532 1.00 6.05 O ATOM 0 H GLU A 62 -17.754 0.601 1.528 1.00 3.03 H new ATOM 0 HA GLU A 62 -16.736 -1.057 3.406 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -17.644 1.103 4.026 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -19.263 0.644 3.536 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -19.535 -0.857 5.384 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -17.810 -0.959 5.676 1.00 4.32 H new ATOM 879 N GLY A 63 -18.011 -3.189 3.679 1.00 2.54 N ATOM 880 CA GLY A 63 -18.787 -4.450 3.851 1.00 2.46 C ATOM 881 C GLY A 63 -18.066 -5.599 3.141 1.00 2.21 C ATOM 882 O GLY A 63 -18.016 -6.709 3.632 1.00 2.29 O ATOM 0 H GLY A 63 -17.021 -3.251 3.918 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -18.899 -4.678 4.911 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -19.790 -4.330 3.443 1.00 2.46 H new ATOM 886 N GLU A 64 -17.512 -5.344 1.988 1.00 2.23 N ATOM 887 CA GLU A 64 -16.800 -6.423 1.248 1.00 2.27 C ATOM 888 C GLU A 64 -15.292 -6.288 1.468 1.00 2.19 C ATOM 889 O GLU A 64 -14.822 -5.333 2.053 1.00 2.81 O ATOM 890 CB GLU A 64 -17.110 -6.301 -0.245 1.00 2.70 C ATOM 891 CG GLU A 64 -18.352 -7.132 -0.578 1.00 3.18 C ATOM 892 CD GLU A 64 -19.220 -6.371 -1.582 1.00 3.59 C ATOM 893 OE1 GLU A 64 -19.957 -5.498 -1.156 1.00 3.92 O ATOM 894 OE2 GLU A 64 -19.133 -6.676 -2.761 1.00 4.03 O ATOM 0 H GLU A 64 -17.522 -4.435 1.526 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.132 -7.395 1.613 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.277 -5.257 -0.509 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.260 -6.646 -0.833 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.057 -8.096 -0.993 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -18.920 -7.336 0.329 1.00 3.18 H new ATOM 901 N SER A 65 -14.530 -7.239 1.001 1.00 1.71 N ATOM 902 CA SER A 65 -13.052 -7.167 1.182 1.00 1.83 C ATOM 903 C SER A 65 -12.374 -7.139 -0.191 1.00 1.49 C ATOM 904 O SER A 65 -12.818 -7.779 -1.124 1.00 1.87 O ATOM 905 CB SER A 65 -12.573 -8.391 1.962 1.00 2.37 C ATOM 906 OG SER A 65 -12.964 -8.265 3.322 1.00 2.91 O ATOM 0 H SER A 65 -14.867 -8.062 0.502 1.00 1.71 H new ATOM 0 HA SER A 65 -12.796 -6.263 1.734 1.00 1.83 H new ATOM 0 HB2 SER A 65 -12.997 -9.299 1.533 1.00 2.37 H new ATOM 0 HB3 SER A 65 -11.489 -8.481 1.890 1.00 2.37 H new ATOM 0 HG SER A 65 -13.620 -8.960 3.539 1.00 2.91 H new ATOM 912 N TYR A 66 -11.306 -6.402 -0.324 1.00 1.14 N ATOM 913 CA TYR A 66 -10.609 -6.333 -1.636 1.00 1.22 C ATOM 914 C TYR A 66 -9.276 -7.081 -1.551 1.00 1.63 C ATOM 915 O TYR A 66 -8.934 -7.647 -0.532 1.00 2.01 O ATOM 916 CB TYR A 66 -10.348 -4.870 -1.988 1.00 1.29 C ATOM 917 CG TYR A 66 -11.573 -4.284 -2.646 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.577 -3.702 -1.862 1.00 1.47 C ATOM 919 CD2 TYR A 66 -11.707 -4.322 -4.039 1.00 1.79 C ATOM 920 CE1 TYR A 66 -13.714 -3.159 -2.472 1.00 1.86 C ATOM 921 CE2 TYR A 66 -12.844 -3.779 -4.649 1.00 1.98 C ATOM 922 CZ TYR A 66 -13.848 -3.197 -3.865 1.00 1.87 C ATOM 923 OH TYR A 66 -14.969 -2.661 -4.466 1.00 2.38 O ATOM 0 H TYR A 66 -10.887 -5.845 0.420 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.231 -6.792 -2.404 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.101 -4.307 -1.088 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.491 -4.793 -2.657 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.474 -3.672 -0.787 1.00 1.47 H new ATOM 0 HD2 TYR A 66 -10.933 -4.771 -4.644 1.00 1.79 H new ATOM 0 HE1 TYR A 66 -14.488 -2.710 -1.867 1.00 1.86 H new ATOM 0 HE2 TYR A 66 -12.947 -3.809 -5.724 1.00 1.98 H new ATOM 0 HH TYR A 66 -14.903 -2.769 -5.438 1.00 2.38 H new ATOM 933 N VAL A 67 -8.524 -7.086 -2.618 1.00 1.69 N ATOM 934 CA VAL A 67 -7.213 -7.796 -2.606 1.00 2.07 C ATOM 935 C VAL A 67 -6.258 -7.122 -3.594 1.00 2.20 C ATOM 936 O VAL A 67 -6.676 -6.437 -4.506 1.00 2.22 O ATOM 937 CB VAL A 67 -7.421 -9.255 -3.018 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.312 -10.123 -2.421 1.00 2.61 C ATOM 939 CG2 VAL A 67 -8.779 -9.741 -2.506 1.00 2.54 C ATOM 0 H VAL A 67 -8.761 -6.629 -3.498 1.00 1.69 H new ATOM 0 HA VAL A 67 -6.788 -7.756 -1.603 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.392 -9.330 -4.105 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -6.464 -11.161 -2.717 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.344 -9.779 -2.786 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.337 -10.048 -1.334 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -8.928 -10.780 -2.799 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -8.807 -9.663 -1.419 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -9.571 -9.126 -2.935 1.00 2.54 H new ATOM 949 N LEU A 68 -4.977 -7.308 -3.419 1.00 2.36 N ATOM 950 CA LEU A 68 -3.999 -6.674 -4.348 1.00 2.59 C ATOM 951 C LEU A 68 -2.824 -7.626 -4.588 1.00 2.17 C ATOM 952 O LEU A 68 -2.036 -7.886 -3.701 1.00 2.07 O ATOM 953 CB LEU A 68 -3.483 -5.373 -3.726 1.00 3.01 C ATOM 954 CG LEU A 68 -2.718 -4.564 -4.777 1.00 3.40 C ATOM 955 CD1 LEU A 68 -3.709 -3.792 -5.648 1.00 3.46 C ATOM 956 CD2 LEU A 68 -1.783 -3.576 -4.078 1.00 3.61 C ATOM 0 H LEU A 68 -4.567 -7.871 -2.674 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.487 -6.459 -5.299 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.317 -4.788 -3.340 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -2.832 -5.596 -2.881 1.00 3.01 H new ATOM 0 HG LEU A 68 -2.135 -5.241 -5.401 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -3.164 -3.216 -6.396 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -4.378 -4.493 -6.146 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -4.292 -3.115 -5.023 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -1.238 -3.000 -4.826 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -2.368 -2.900 -3.454 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.075 -4.123 -3.455 1.00 3.61 H new ATOM 968 N SER A 69 -2.692 -8.139 -5.782 1.00 1.98 N ATOM 969 CA SER A 69 -1.561 -9.064 -6.076 1.00 1.66 C ATOM 970 C SER A 69 -0.569 -8.352 -6.995 1.00 1.53 C ATOM 971 O SER A 69 -0.648 -8.448 -8.205 1.00 1.60 O ATOM 972 CB SER A 69 -2.090 -10.324 -6.759 1.00 1.82 C ATOM 973 OG SER A 69 -1.320 -10.588 -7.924 1.00 2.27 O ATOM 0 H SER A 69 -3.319 -7.957 -6.566 1.00 1.98 H new ATOM 0 HA SER A 69 -1.064 -9.349 -5.149 1.00 1.66 H new ATOM 0 HB2 SER A 69 -2.037 -11.171 -6.075 1.00 1.82 H new ATOM 0 HB3 SER A 69 -3.139 -10.194 -7.025 1.00 1.82 H new ATOM 0 HG SER A 69 -1.379 -9.824 -8.535 1.00 2.27 H new ATOM 979 N PHE A 70 0.351 -7.619 -6.430 1.00 1.38 N ATOM 980 CA PHE A 70 1.333 -6.880 -7.274 1.00 1.30 C ATOM 981 C PHE A 70 2.612 -7.692 -7.471 1.00 1.23 C ATOM 982 O PHE A 70 3.099 -8.335 -6.564 1.00 1.40 O ATOM 983 CB PHE A 70 1.670 -5.536 -6.622 1.00 1.34 C ATOM 984 CG PHE A 70 2.073 -5.746 -5.183 1.00 1.31 C ATOM 985 CD1 PHE A 70 3.379 -6.142 -4.871 1.00 1.23 C ATOM 986 CD2 PHE A 70 1.143 -5.534 -4.159 1.00 1.96 C ATOM 987 CE1 PHE A 70 3.754 -6.325 -3.535 1.00 1.35 C ATOM 988 CE2 PHE A 70 1.517 -5.720 -2.823 1.00 2.01 C ATOM 989 CZ PHE A 70 2.824 -6.115 -2.512 1.00 1.48 C ATOM 0 H PHE A 70 0.465 -7.500 -5.423 1.00 1.38 H new ATOM 0 HA PHE A 70 0.881 -6.711 -8.252 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.479 -5.051 -7.168 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.808 -4.871 -6.673 1.00 1.34 H new ATOM 0 HD1 PHE A 70 4.097 -6.306 -5.661 1.00 1.23 H new ATOM 0 HD2 PHE A 70 0.136 -5.227 -4.400 1.00 1.96 H new ATOM 0 HE1 PHE A 70 4.762 -6.629 -3.294 1.00 1.35 H new ATOM 0 HE2 PHE A 70 0.798 -5.559 -2.033 1.00 2.01 H new ATOM 0 HZ PHE A 70 3.114 -6.258 -1.481 1.00 1.48 H new ATOM 999 N THR A 71 3.175 -7.639 -8.649 1.00 1.13 N ATOM 1000 CA THR A 71 4.442 -8.375 -8.913 1.00 1.16 C ATOM 1001 C THR A 71 5.609 -7.499 -8.460 1.00 1.11 C ATOM 1002 O THR A 71 6.139 -6.723 -9.229 1.00 1.39 O ATOM 1003 CB THR A 71 4.570 -8.634 -10.416 1.00 1.26 C ATOM 1004 OG1 THR A 71 4.114 -7.494 -11.128 1.00 1.15 O ATOM 1005 CG2 THR A 71 3.735 -9.852 -10.812 1.00 1.80 C ATOM 0 H THR A 71 2.808 -7.114 -9.443 1.00 1.13 H new ATOM 0 HA THR A 71 4.446 -9.324 -8.376 1.00 1.16 H new ATOM 0 HB THR A 71 5.615 -8.827 -10.659 1.00 1.26 H new ATOM 0 HG1 THR A 71 4.232 -7.640 -12.090 1.00 1.15 H new ATOM 0 HG21 THR A 71 3.833 -10.028 -11.883 1.00 1.80 H new ATOM 0 HG22 THR A 71 4.088 -10.728 -10.267 1.00 1.80 H new ATOM 0 HG23 THR A 71 2.688 -9.670 -10.568 1.00 1.80 H new ATOM 1013 N ALA A 72 6.008 -7.593 -7.222 1.00 0.96 N ATOM 1014 CA ALA A 72 7.129 -6.732 -6.751 1.00 0.87 C ATOM 1015 C ALA A 72 8.192 -7.568 -6.040 1.00 0.81 C ATOM 1016 O ALA A 72 7.927 -8.640 -5.532 1.00 0.85 O ATOM 1017 CB ALA A 72 6.587 -5.680 -5.782 1.00 0.81 C ATOM 0 H ALA A 72 5.612 -8.221 -6.523 1.00 0.96 H new ATOM 0 HA ALA A 72 7.583 -6.249 -7.616 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.405 -5.048 -5.436 1.00 0.81 H new ATOM 0 HB2 ALA A 72 5.844 -5.065 -6.291 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.125 -6.176 -4.928 1.00 0.81 H new ATOM 1023 N SER A 73 9.395 -7.065 -5.992 1.00 0.75 N ATOM 1024 CA SER A 73 10.497 -7.795 -5.308 1.00 0.72 C ATOM 1025 C SER A 73 11.453 -6.771 -4.694 1.00 0.64 C ATOM 1026 O SER A 73 12.018 -5.946 -5.384 1.00 0.84 O ATOM 1027 CB SER A 73 11.251 -8.659 -6.318 1.00 0.82 C ATOM 1028 OG SER A 73 11.625 -7.860 -7.432 1.00 0.93 O ATOM 0 H SER A 73 9.663 -6.170 -6.402 1.00 0.75 H new ATOM 0 HA SER A 73 10.088 -8.439 -4.529 1.00 0.72 H new ATOM 0 HB2 SER A 73 12.136 -9.093 -5.853 1.00 0.82 H new ATOM 0 HB3 SER A 73 10.624 -9.488 -6.645 1.00 0.82 H new ATOM 0 HG SER A 73 12.110 -8.411 -8.081 1.00 0.93 H new ATOM 1034 N ALA A 74 11.629 -6.808 -3.403 1.00 0.66 N ATOM 1035 CA ALA A 74 12.539 -5.825 -2.751 1.00 0.59 C ATOM 1036 C ALA A 74 13.969 -6.368 -2.742 1.00 0.61 C ATOM 1037 O ALA A 74 14.209 -7.508 -2.399 1.00 0.67 O ATOM 1038 CB ALA A 74 12.080 -5.577 -1.313 1.00 0.59 C ATOM 0 H ALA A 74 11.184 -7.474 -2.772 1.00 0.66 H new ATOM 0 HA ALA A 74 12.513 -4.889 -3.309 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.747 -4.858 -0.837 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.064 -5.182 -1.318 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.102 -6.514 -0.757 1.00 0.59 H new ATOM 1044 N THR A 75 14.919 -5.556 -3.117 1.00 0.62 N ATOM 1045 CA THR A 75 16.334 -6.008 -3.134 1.00 0.72 C ATOM 1046 C THR A 75 17.206 -4.955 -2.433 1.00 0.72 C ATOM 1047 O THR A 75 17.298 -3.834 -2.893 1.00 0.74 O ATOM 1048 CB THR A 75 16.786 -6.153 -4.586 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.060 -5.241 -5.397 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.523 -7.582 -5.067 1.00 0.97 C ATOM 0 H THR A 75 14.772 -4.591 -3.414 1.00 0.62 H new ATOM 0 HA THR A 75 16.429 -6.964 -2.618 1.00 0.72 H new ATOM 0 HB THR A 75 17.852 -5.939 -4.657 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.349 -5.330 -6.329 1.00 0.86 H new ATOM 0 HG21 THR A 75 16.846 -7.682 -6.103 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.078 -8.284 -4.444 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.457 -7.799 -4.997 1.00 0.97 H new ATOM 1058 N PRO A 76 17.845 -5.291 -1.337 1.00 0.77 N ATOM 1059 CA PRO A 76 17.783 -6.647 -0.707 1.00 0.83 C ATOM 1060 C PRO A 76 16.389 -6.981 -0.168 1.00 0.73 C ATOM 1061 O PRO A 76 15.383 -6.632 -0.752 1.00 0.68 O ATOM 1062 CB PRO A 76 18.784 -6.569 0.455 1.00 0.97 C ATOM 1063 CG PRO A 76 19.601 -5.343 0.217 1.00 1.02 C ATOM 1064 CD PRO A 76 18.716 -4.387 -0.575 1.00 0.85 C ATOM 0 HA PRO A 76 18.012 -7.427 -1.433 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.266 -6.512 1.412 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.415 -7.457 0.486 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.912 -4.894 1.160 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.509 -5.582 -0.337 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.142 -3.733 0.081 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.303 -3.745 -1.232 1.00 0.85 H new ATOM 1072 N ASP A 77 16.325 -7.648 0.948 1.00 0.81 N ATOM 1073 CA ASP A 77 15.001 -8.008 1.529 1.00 0.76 C ATOM 1074 C ASP A 77 14.722 -7.138 2.757 1.00 0.72 C ATOM 1075 O ASP A 77 15.627 -6.652 3.403 1.00 0.78 O ATOM 1076 CB ASP A 77 15.008 -9.481 1.940 1.00 0.91 C ATOM 1077 CG ASP A 77 15.936 -10.266 1.012 1.00 1.09 C ATOM 1078 OD1 ASP A 77 17.049 -9.812 0.796 1.00 1.30 O ATOM 1079 OD2 ASP A 77 15.520 -11.307 0.532 1.00 1.75 O ATOM 0 H ASP A 77 17.134 -7.961 1.485 1.00 0.81 H new ATOM 0 HA ASP A 77 14.223 -7.840 0.784 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.341 -9.580 2.973 1.00 0.91 H new ATOM 0 HB3 ASP A 77 13.998 -9.888 1.891 1.00 0.91 H new ATOM 1084 N MET A 78 13.472 -6.944 3.082 1.00 0.75 N ATOM 1085 CA MET A 78 13.124 -6.111 4.269 1.00 0.87 C ATOM 1086 C MET A 78 11.628 -5.785 4.231 1.00 0.89 C ATOM 1087 O MET A 78 10.960 -6.030 3.245 1.00 0.93 O ATOM 1088 CB MET A 78 13.936 -4.813 4.242 1.00 1.01 C ATOM 1089 CG MET A 78 14.909 -4.781 5.425 1.00 1.19 C ATOM 1090 SD MET A 78 15.465 -3.081 5.700 1.00 1.83 S ATOM 1091 CE MET A 78 16.232 -2.828 4.081 1.00 2.16 C ATOM 0 H MET A 78 12.675 -7.328 2.575 1.00 0.75 H new ATOM 0 HA MET A 78 13.356 -6.658 5.183 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.487 -4.738 3.305 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.266 -3.954 4.287 1.00 1.01 H new ATOM 0 HG2 MET A 78 14.422 -5.165 6.321 1.00 1.19 H new ATOM 0 HG3 MET A 78 15.764 -5.427 5.225 1.00 1.19 H new ATOM 0 HE1 MET A 78 17.134 -2.226 4.196 1.00 2.16 H new ATOM 0 HE2 MET A 78 16.493 -3.793 3.647 1.00 2.16 H new ATOM 0 HE3 MET A 78 15.532 -2.312 3.424 1.00 2.16 H new ATOM 1101 N PRO A 79 11.104 -5.239 5.296 1.00 0.96 N ATOM 1102 CA PRO A 79 9.664 -4.878 5.393 1.00 1.04 C ATOM 1103 C PRO A 79 9.360 -3.507 4.783 1.00 1.13 C ATOM 1104 O PRO A 79 10.029 -2.530 5.060 1.00 1.28 O ATOM 1105 CB PRO A 79 9.413 -4.860 6.900 1.00 1.12 C ATOM 1106 CG PRO A 79 10.724 -4.492 7.517 1.00 1.38 C ATOM 1107 CD PRO A 79 11.826 -4.905 6.534 1.00 1.11 C ATOM 0 HA PRO A 79 9.030 -5.575 4.845 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.640 -4.138 7.161 1.00 1.12 H new ATOM 0 HB3 PRO A 79 9.072 -5.833 7.253 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.768 -3.421 7.715 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.854 -4.998 8.474 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.539 -4.096 6.373 1.00 1.11 H new ATOM 0 HD3 PRO A 79 12.392 -5.759 6.907 1.00 1.11 H new ATOM 1115 N VAL A 80 8.352 -3.426 3.958 1.00 1.13 N ATOM 1116 CA VAL A 80 8.000 -2.118 3.336 1.00 1.31 C ATOM 1117 C VAL A 80 6.715 -1.586 3.972 1.00 1.45 C ATOM 1118 O VAL A 80 6.085 -2.253 4.770 1.00 1.98 O ATOM 1119 CB VAL A 80 7.788 -2.306 1.832 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.759 -3.364 1.306 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.350 -2.761 1.573 1.00 1.79 C ATOM 0 H VAL A 80 7.757 -4.209 3.688 1.00 1.13 H new ATOM 0 HA VAL A 80 8.810 -1.407 3.499 1.00 1.31 H new ATOM 0 HB VAL A 80 7.969 -1.361 1.320 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.607 -3.497 0.235 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.784 -3.041 1.490 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.579 -4.309 1.818 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.198 -2.895 0.502 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.169 -3.705 2.086 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.657 -2.007 1.946 1.00 1.79 H new ATOM 1131 N ARG A 81 6.321 -0.389 3.632 1.00 1.48 N ATOM 1132 CA ARG A 81 5.078 0.180 4.225 1.00 1.84 C ATOM 1133 C ARG A 81 4.138 0.645 3.111 1.00 2.04 C ATOM 1134 O ARG A 81 4.282 1.725 2.575 1.00 2.57 O ATOM 1135 CB ARG A 81 5.438 1.370 5.117 1.00 2.24 C ATOM 1136 CG ARG A 81 4.188 1.853 5.855 1.00 2.95 C ATOM 1137 CD ARG A 81 4.356 3.326 6.235 1.00 4.04 C ATOM 1138 NE ARG A 81 3.891 3.532 7.635 1.00 4.81 N ATOM 1139 CZ ARG A 81 4.209 4.626 8.274 1.00 5.14 C ATOM 1140 NH1 ARG A 81 4.935 5.536 7.687 1.00 4.94 N ATOM 1141 NH2 ARG A 81 3.801 4.807 9.500 1.00 6.01 N ATOM 0 H ARG A 81 6.805 0.218 2.971 1.00 1.48 H new ATOM 0 HA ARG A 81 4.580 -0.586 4.819 1.00 1.84 H new ATOM 0 HB2 ARG A 81 6.207 1.081 5.833 1.00 2.24 H new ATOM 0 HB3 ARG A 81 5.852 2.178 4.514 1.00 2.24 H new ATOM 0 HG2 ARG A 81 3.309 1.728 5.223 1.00 2.95 H new ATOM 0 HG3 ARG A 81 4.026 1.252 6.750 1.00 2.95 H new ATOM 0 HD2 ARG A 81 5.401 3.620 6.140 1.00 4.04 H new ATOM 0 HD3 ARG A 81 3.784 3.956 5.554 1.00 4.04 H new ATOM 0 HE ARG A 81 3.324 2.819 8.095 1.00 4.81 H new ATOM 0 HH11 ARG A 81 5.255 5.394 6.729 1.00 4.94 H new ATOM 0 HH12 ARG A 81 5.183 6.390 8.186 1.00 4.94 H new ATOM 0 HH21 ARG A 81 3.234 4.094 9.959 1.00 6.01 H new ATOM 0 HH22 ARG A 81 4.049 5.661 9.999 1.00 6.01 H new ATOM 1155 N VAL A 82 3.171 -0.160 2.764 1.00 2.00 N ATOM 1156 CA VAL A 82 2.219 0.233 1.692 1.00 2.41 C ATOM 1157 C VAL A 82 0.902 0.685 2.330 1.00 1.99 C ATOM 1158 O VAL A 82 0.573 0.295 3.433 1.00 1.85 O ATOM 1159 CB VAL A 82 1.959 -0.966 0.779 1.00 3.05 C ATOM 1160 CG1 VAL A 82 2.993 -0.989 -0.347 1.00 3.76 C ATOM 1161 CG2 VAL A 82 2.065 -2.258 1.593 1.00 3.57 C ATOM 0 H VAL A 82 3.001 -1.076 3.180 1.00 2.00 H new ATOM 0 HA VAL A 82 2.641 1.049 1.106 1.00 2.41 H new ATOM 0 HB VAL A 82 0.960 -0.884 0.351 1.00 3.05 H new ATOM 0 HG11 VAL A 82 2.805 -1.844 -0.996 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.919 -0.070 -0.928 1.00 3.76 H new ATOM 0 HG13 VAL A 82 3.993 -1.069 0.079 1.00 3.76 H new ATOM 0 HG21 VAL A 82 1.880 -3.114 0.943 1.00 3.57 H new ATOM 0 HG22 VAL A 82 3.064 -2.337 2.021 1.00 3.57 H new ATOM 0 HG23 VAL A 82 1.327 -2.245 2.395 1.00 3.57 H new ATOM 1171 N LEU A 83 0.147 1.504 1.651 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.143 1.974 2.233 1.00 1.82 C ATOM 1173 C LEU A 83 -2.164 2.199 1.116 1.00 1.64 C ATOM 1174 O LEU A 83 -1.814 2.393 -0.031 1.00 1.78 O ATOM 1175 CB LEU A 83 -0.913 3.287 2.984 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.265 4.306 2.046 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -0.823 5.700 2.341 1.00 1.99 C ATOM 1178 CD2 LEU A 83 1.250 4.308 2.264 1.00 1.42 C ATOM 0 H LEU A 83 0.365 1.867 0.723 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.524 1.219 2.921 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.860 3.674 3.360 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.273 3.116 3.850 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.484 4.038 1.012 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -0.361 6.426 1.672 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -1.902 5.700 2.187 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -0.604 5.968 3.375 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.713 5.034 1.596 1.00 1.42 H new ATOM 0 HD22 LEU A 83 1.468 4.576 3.298 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.649 3.316 2.054 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.428 2.178 1.446 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.475 2.396 0.406 1.00 1.53 C ATOM 1192 C VAL A 84 -5.718 3.006 1.057 1.00 1.46 C ATOM 1193 O VAL A 84 -5.873 2.983 2.260 1.00 1.51 O ATOM 1194 CB VAL A 84 -4.852 1.060 -0.239 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.183 1.283 -1.716 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.679 0.083 -0.124 1.00 1.84 C ATOM 0 H VAL A 84 -3.780 2.019 2.390 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.087 3.071 -0.357 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.721 0.645 0.272 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.452 0.332 -2.176 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.020 1.976 -1.801 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.314 1.700 -2.225 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -3.950 -0.867 -0.584 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -2.809 0.497 -0.633 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.441 -0.078 0.928 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.606 3.548 0.269 1.00 1.45 N ATOM 1207 CA GLY A 85 -7.839 4.156 0.847 1.00 1.49 C ATOM 1208 C GLY A 85 -8.266 5.356 -0.001 1.00 1.17 C ATOM 1209 O GLY A 85 -7.892 5.481 -1.150 1.00 1.15 O ATOM 0 H GLY A 85 -6.532 3.596 -0.747 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.640 3.417 0.879 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.654 4.471 1.874 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.046 6.241 0.558 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.496 7.432 -0.214 1.00 1.19 C ATOM 1215 C GLU A 86 -8.496 8.573 -0.019 1.00 1.21 C ATOM 1216 O GLU A 86 -7.338 8.353 0.275 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.874 7.873 0.286 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.806 8.163 1.785 1.00 1.42 C ATOM 1219 CD GLU A 86 -11.915 9.145 2.167 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -12.831 9.309 1.378 1.00 2.03 O ATOM 1221 OE2 GLU A 86 -11.829 9.717 3.242 1.00 2.54 O ATOM 0 H GLU A 86 -9.391 6.190 1.517 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.557 7.177 -1.272 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.200 8.763 -0.253 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.610 7.094 0.089 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -10.915 7.237 2.350 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -9.832 8.580 2.041 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.933 9.792 -0.180 1.00 1.18 N ATOM 1229 CA GLY A 87 -8.007 10.946 -0.004 1.00 1.38 C ATOM 1230 C GLY A 87 -8.787 12.254 -0.141 1.00 1.20 C ATOM 1231 O GLY A 87 -8.673 12.956 -1.127 1.00 1.26 O ATOM 0 H GLY A 87 -9.892 10.039 -0.426 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -7.529 10.896 0.975 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.212 10.905 -0.749 1.00 1.38 H new ATOM 1280 N ARG A 92 -9.001 9.780 5.771 1.00 2.28 N ATOM 1281 CA ARG A 92 -9.208 8.556 6.595 1.00 2.12 C ATOM 1282 C ARG A 92 -9.159 7.319 5.695 1.00 1.84 C ATOM 1283 O ARG A 92 -10.014 7.118 4.855 1.00 2.05 O ATOM 1284 CB ARG A 92 -10.570 8.630 7.287 1.00 2.02 C ATOM 1285 CG ARG A 92 -11.680 8.559 6.236 1.00 2.72 C ATOM 1286 CD ARG A 92 -12.842 9.467 6.644 1.00 3.19 C ATOM 1287 NE ARG A 92 -12.874 9.617 8.130 1.00 4.00 N ATOM 1288 CZ ARG A 92 -12.792 8.575 8.915 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -12.830 7.370 8.418 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -12.715 8.742 10.207 1.00 5.74 N ATOM 0 HA ARG A 92 -8.422 8.489 7.347 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -10.674 7.810 7.997 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -10.651 9.556 7.855 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -11.293 8.864 5.264 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -12.029 7.532 6.132 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -12.734 10.444 6.174 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -13.784 9.047 6.292 1.00 3.19 H new ATOM 0 HE ARG A 92 -12.961 10.547 8.539 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -12.924 7.236 7.411 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -12.766 6.561 9.036 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -12.719 9.683 10.601 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -12.651 7.932 10.823 1.00 5.74 H new ATOM 1304 N THR A 93 -8.168 6.489 5.865 1.00 1.67 N ATOM 1305 CA THR A 93 -8.066 5.266 5.021 1.00 1.74 C ATOM 1306 C THR A 93 -8.315 4.022 5.872 1.00 1.95 C ATOM 1307 O THR A 93 -8.408 4.087 7.081 1.00 2.27 O ATOM 1308 CB THR A 93 -6.668 5.172 4.408 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.316 3.804 4.261 1.00 2.15 O ATOM 1310 CG2 THR A 93 -5.656 5.858 5.329 1.00 1.74 C ATOM 0 H THR A 93 -7.424 6.605 6.553 1.00 1.67 H new ATOM 0 HA THR A 93 -8.813 5.326 4.230 1.00 1.74 H new ATOM 0 HB THR A 93 -6.662 5.663 3.435 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.186 3.600 3.311 1.00 2.15 H new ATOM 0 HG21 THR A 93 -4.660 5.790 4.890 1.00 1.74 H new ATOM 0 HG22 THR A 93 -5.928 6.906 5.451 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.658 5.367 6.302 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.414 2.886 5.241 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.644 1.627 5.997 1.00 2.71 C ATOM 1320 C ALA A 94 -7.545 0.627 5.639 1.00 2.70 C ATOM 1321 O ALA A 94 -7.303 -0.326 6.353 1.00 3.18 O ATOM 1322 CB ALA A 94 -10.008 1.046 5.621 1.00 3.28 C ATOM 0 H ALA A 94 -8.345 2.776 4.229 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.625 1.830 7.068 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -10.176 0.123 6.176 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.790 1.764 5.867 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -10.032 0.836 4.552 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.873 0.835 4.538 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.790 -0.107 4.142 1.00 2.32 C ATOM 1330 C PHE A 95 -4.461 0.378 4.722 1.00 1.89 C ATOM 1331 O PHE A 95 -3.419 0.235 4.113 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.687 -0.151 2.618 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.228 -1.521 2.174 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.376 -2.276 2.989 1.00 3.34 C ATOM 1335 CD2 PHE A 95 -5.660 -2.036 0.946 1.00 3.27 C ATOM 1336 CE1 PHE A 95 -3.955 -3.546 2.574 1.00 3.65 C ATOM 1337 CE2 PHE A 95 -5.239 -3.305 0.532 1.00 3.55 C ATOM 1338 CZ PHE A 95 -4.387 -4.060 1.345 1.00 3.60 C ATOM 0 H PHE A 95 -7.028 1.614 3.899 1.00 2.24 H new ATOM 0 HA PHE A 95 -6.016 -1.103 4.523 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.654 0.080 2.172 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -4.986 0.608 2.270 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -4.044 -1.880 3.937 1.00 3.34 H new ATOM 0 HD2 PHE A 95 -6.318 -1.454 0.318 1.00 3.27 H new ATOM 0 HE1 PHE A 95 -3.297 -4.129 3.202 1.00 3.65 H new ATOM 0 HE2 PHE A 95 -5.572 -3.702 -0.416 1.00 3.55 H new ATOM 0 HZ PHE A 95 -4.062 -5.039 1.025 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.486 0.954 5.891 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.220 1.449 6.499 1.00 2.11 C ATOM 1350 C GLU A 96 -2.371 0.258 6.947 1.00 1.99 C ATOM 1351 O GLU A 96 -2.375 -0.120 8.102 1.00 2.04 O ATOM 1352 CB GLU A 96 -3.543 2.330 7.707 1.00 2.46 C ATOM 1353 CG GLU A 96 -4.790 1.793 8.412 1.00 3.05 C ATOM 1354 CD GLU A 96 -4.743 2.176 9.892 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -3.653 2.226 10.437 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -5.800 2.412 10.457 1.00 4.04 O ATOM 0 H GLU A 96 -5.326 1.103 6.450 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.667 2.033 5.763 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -2.699 2.343 8.397 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.708 3.359 7.386 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -5.688 2.202 7.948 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -4.842 0.709 8.307 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.642 -0.338 6.042 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.794 -1.503 6.416 1.00 2.35 C ATOM 1365 C GLN A 97 0.665 -1.050 6.512 1.00 2.76 C ATOM 1366 O GLN A 97 1.059 -0.063 5.922 1.00 3.44 O ATOM 1367 CB GLN A 97 -0.944 -2.593 5.347 1.00 2.59 C ATOM 1368 CG GLN A 97 0.407 -3.260 5.083 1.00 2.67 C ATOM 1369 CD GLN A 97 0.213 -4.459 4.153 1.00 2.83 C ATOM 1370 OE1 GLN A 97 0.633 -5.636 4.529 1.00 2.75 O flip ATOM 1371 NE2 GLN A 97 -0.328 -4.325 3.073 1.00 3.46 N flip ATOM 0 H GLN A 97 -1.598 -0.067 5.060 1.00 2.12 H new ATOM 0 HA GLN A 97 -1.105 -1.904 7.381 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.668 -3.338 5.676 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -1.330 -2.158 4.425 1.00 2.59 H new ATOM 0 HG2 GLN A 97 1.095 -2.545 4.633 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.854 -3.584 6.023 1.00 2.67 H new ATOM 0 HE21 GLN A 97 -0.657 -3.406 2.778 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -0.453 -5.132 2.462 1.00 3.46 H new ATOM 1380 N GLY A 98 1.471 -1.764 7.250 1.00 2.66 N ATOM 1381 CA GLY A 98 2.902 -1.369 7.380 1.00 3.12 C ATOM 1382 C GLY A 98 3.773 -2.621 7.510 1.00 2.94 C ATOM 1383 O GLY A 98 4.957 -2.539 7.775 1.00 3.67 O ATOM 0 H GLY A 98 1.201 -2.601 7.767 1.00 2.66 H new ATOM 0 HA2 GLY A 98 3.210 -0.789 6.510 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.035 -0.730 8.253 1.00 3.12 H new ATOM 1387 N SER A 99 3.199 -3.780 7.333 1.00 2.31 N ATOM 1388 CA SER A 99 3.995 -5.031 7.452 1.00 2.54 C ATOM 1389 C SER A 99 3.936 -5.810 6.135 1.00 2.05 C ATOM 1390 O SER A 99 3.249 -6.805 6.022 1.00 1.87 O ATOM 1391 CB SER A 99 3.411 -5.888 8.574 1.00 3.04 C ATOM 1392 OG SER A 99 4.053 -5.561 9.799 1.00 3.79 O ATOM 0 H SER A 99 2.212 -3.913 7.111 1.00 2.31 H new ATOM 0 HA SER A 99 5.033 -4.783 7.675 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.338 -5.717 8.656 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.549 -6.945 8.349 1.00 3.04 H new ATOM 0 HG SER A 99 3.679 -6.108 10.521 1.00 3.79 H new ATOM 1398 N ALA A 100 4.655 -5.369 5.139 1.00 1.96 N ATOM 1399 CA ALA A 100 4.641 -6.091 3.835 1.00 1.63 C ATOM 1400 C ALA A 100 6.061 -6.551 3.498 1.00 1.41 C ATOM 1401 O ALA A 100 6.801 -5.868 2.819 1.00 1.39 O ATOM 1402 CB ALA A 100 4.129 -5.155 2.738 1.00 1.76 C ATOM 0 H ALA A 100 5.250 -4.542 5.172 1.00 1.96 H new ATOM 0 HA ALA A 100 3.984 -6.958 3.903 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.119 -5.683 1.785 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.119 -4.827 2.982 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.784 -4.287 2.665 1.00 1.76 H new ATOM 1408 N PRO A 101 6.436 -7.702 3.987 1.00 1.67 N ATOM 1409 CA PRO A 101 7.791 -8.284 3.757 1.00 1.70 C ATOM 1410 C PRO A 101 8.035 -8.661 2.292 1.00 1.06 C ATOM 1411 O PRO A 101 7.266 -9.380 1.687 1.00 1.45 O ATOM 1412 CB PRO A 101 7.821 -9.543 4.634 1.00 2.69 C ATOM 1413 CG PRO A 101 6.626 -9.464 5.528 1.00 2.97 C ATOM 1414 CD PRO A 101 5.604 -8.579 4.819 1.00 2.35 C ATOM 0 HA PRO A 101 8.569 -7.562 4.003 1.00 1.70 H new ATOM 0 HB2 PRO A 101 7.789 -10.444 4.021 1.00 2.69 H new ATOM 0 HB3 PRO A 101 8.740 -9.588 5.218 1.00 2.69 H new ATOM 0 HG2 PRO A 101 6.215 -10.457 5.714 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.895 -9.044 6.497 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.912 -9.167 4.216 1.00 2.35 H new ATOM 0 HD3 PRO A 101 5.004 -8.010 5.529 1.00 2.35 H new ATOM 1422 N LEU A 102 9.115 -8.191 1.726 1.00 0.99 N ATOM 1423 CA LEU A 102 9.431 -8.527 0.310 1.00 1.10 C ATOM 1424 C LEU A 102 10.762 -9.282 0.262 1.00 0.93 C ATOM 1425 O LEU A 102 11.644 -9.050 1.066 1.00 1.33 O ATOM 1426 CB LEU A 102 9.544 -7.243 -0.516 1.00 2.00 C ATOM 1427 CG LEU A 102 8.182 -6.889 -1.119 1.00 2.39 C ATOM 1428 CD1 LEU A 102 7.868 -7.844 -2.271 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.096 -7.013 -0.047 1.00 2.31 C ATOM 0 H LEU A 102 9.794 -7.586 2.187 1.00 0.99 H new ATOM 0 HA LEU A 102 8.636 -9.148 -0.103 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.896 -6.426 0.113 1.00 2.00 H new ATOM 0 HB3 LEU A 102 10.280 -7.374 -1.310 1.00 2.00 H new ATOM 0 HG LEU A 102 8.209 -5.865 -1.491 1.00 2.39 H new ATOM 0 HD11 LEU A 102 6.898 -7.591 -2.699 1.00 3.06 H new ATOM 0 HD12 LEU A 102 8.638 -7.755 -3.038 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.844 -8.868 -1.898 1.00 3.06 H new ATOM 0 HD21 LEU A 102 6.128 -6.760 -0.479 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.070 -8.036 0.328 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.316 -6.331 0.774 1.00 2.31 H new ATOM 1441 N THR A 103 10.915 -10.185 -0.667 1.00 1.21 N ATOM 1442 CA THR A 103 12.188 -10.955 -0.755 1.00 1.09 C ATOM 1443 C THR A 103 13.102 -10.328 -1.810 1.00 1.38 C ATOM 1444 O THR A 103 12.839 -9.254 -2.316 1.00 1.81 O ATOM 1445 CB THR A 103 11.882 -12.403 -1.143 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.101 -13.111 -1.321 1.00 2.04 O ATOM 1447 CG2 THR A 103 11.082 -12.425 -2.447 1.00 2.34 C ATOM 0 H THR A 103 10.214 -10.423 -1.369 1.00 1.21 H new ATOM 0 HA THR A 103 12.688 -10.933 0.213 1.00 1.09 H new ATOM 0 HB THR A 103 11.298 -12.876 -0.353 1.00 1.79 H new ATOM 0 HG1 THR A 103 12.907 -14.039 -1.568 1.00 2.04 H new ATOM 0 HG21 THR A 103 10.864 -13.457 -2.723 1.00 2.34 H new ATOM 0 HG22 THR A 103 10.147 -11.881 -2.310 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.664 -11.953 -3.239 1.00 2.34 H new ATOM 1455 N GLY A 104 14.176 -10.991 -2.144 1.00 1.62 N ATOM 1456 CA GLY A 104 15.110 -10.437 -3.165 1.00 2.17 C ATOM 1457 C GLY A 104 14.917 -11.172 -4.493 1.00 1.60 C ATOM 1458 O GLY A 104 15.857 -11.413 -5.223 1.00 1.83 O ATOM 0 H GLY A 104 14.447 -11.893 -1.753 1.00 1.62 H new ATOM 0 HA2 GLY A 104 14.927 -9.371 -3.299 1.00 2.17 H new ATOM 0 HA3 GLY A 104 16.140 -10.544 -2.825 1.00 2.17 H new ATOM 1462 N GLU A 105 13.703 -11.530 -4.811 1.00 1.22 N ATOM 1463 CA GLU A 105 13.450 -12.248 -6.092 1.00 1.09 C ATOM 1464 C GLU A 105 11.996 -12.030 -6.514 1.00 1.06 C ATOM 1465 O GLU A 105 11.116 -11.894 -5.687 1.00 1.08 O ATOM 1466 CB GLU A 105 13.704 -13.745 -5.896 1.00 1.40 C ATOM 1467 CG GLU A 105 15.153 -13.964 -5.455 1.00 1.95 C ATOM 1468 CD GLU A 105 15.477 -15.458 -5.493 1.00 2.43 C ATOM 1469 OE1 GLU A 105 14.704 -16.199 -6.076 1.00 2.75 O ATOM 1470 OE2 GLU A 105 16.495 -15.837 -4.936 1.00 3.02 O ATOM 0 H GLU A 105 12.876 -11.356 -4.240 1.00 1.22 H new ATOM 0 HA GLU A 105 14.117 -11.865 -6.864 1.00 1.09 H new ATOM 0 HB2 GLU A 105 13.020 -14.146 -5.147 1.00 1.40 H new ATOM 0 HB3 GLU A 105 13.510 -14.282 -6.824 1.00 1.40 H new ATOM 0 HG2 GLU A 105 15.831 -13.417 -6.111 1.00 1.95 H new ATOM 0 HG3 GLU A 105 15.301 -13.574 -4.448 1.00 1.95 H new ATOM 1477 N PRO A 106 11.746 -11.999 -7.796 1.00 1.08 N ATOM 1478 CA PRO A 106 10.378 -11.797 -8.343 1.00 1.12 C ATOM 1479 C PRO A 106 9.321 -12.571 -7.553 1.00 1.24 C ATOM 1480 O PRO A 106 9.353 -13.784 -7.480 1.00 1.42 O ATOM 1481 CB PRO A 106 10.484 -12.334 -9.769 1.00 1.26 C ATOM 1482 CG PRO A 106 11.917 -12.159 -10.157 1.00 1.20 C ATOM 1483 CD PRO A 106 12.743 -12.155 -8.867 1.00 1.13 C ATOM 0 HA PRO A 106 10.065 -10.754 -8.291 1.00 1.12 H new ATOM 0 HB2 PRO A 106 10.190 -13.383 -9.816 1.00 1.26 H new ATOM 0 HB3 PRO A 106 9.825 -11.788 -10.444 1.00 1.26 H new ATOM 0 HG2 PRO A 106 12.238 -12.966 -10.816 1.00 1.20 H new ATOM 0 HG3 PRO A 106 12.055 -11.227 -10.704 1.00 1.20 H new ATOM 0 HD2 PRO A 106 13.307 -13.081 -8.753 1.00 1.13 H new ATOM 0 HD3 PRO A 106 13.465 -11.339 -8.860 1.00 1.13 H new ATOM 1491 N ALA A 107 8.387 -11.881 -6.959 1.00 1.17 N ATOM 1492 CA ALA A 107 7.333 -12.581 -6.173 1.00 1.31 C ATOM 1493 C ALA A 107 6.131 -11.655 -5.986 1.00 1.24 C ATOM 1494 O ALA A 107 6.274 -10.476 -5.725 1.00 1.04 O ATOM 1495 CB ALA A 107 7.893 -12.971 -4.803 1.00 1.37 C ATOM 0 H ALA A 107 8.308 -10.864 -6.984 1.00 1.17 H new ATOM 0 HA ALA A 107 7.019 -13.477 -6.708 1.00 1.31 H new ATOM 0 HB1 ALA A 107 7.122 -13.483 -4.227 1.00 1.37 H new ATOM 0 HB2 ALA A 107 8.748 -13.634 -4.935 1.00 1.37 H new ATOM 0 HB3 ALA A 107 8.208 -12.074 -4.270 1.00 1.37 H new ATOM 1501 N THR A 108 4.943 -12.179 -6.118 1.00 1.45 N ATOM 1502 CA THR A 108 3.731 -11.332 -5.948 1.00 1.43 C ATOM 1503 C THR A 108 3.280 -11.356 -4.488 1.00 1.38 C ATOM 1504 O THR A 108 3.478 -12.326 -3.784 1.00 1.47 O ATOM 1505 CB THR A 108 2.601 -11.875 -6.825 1.00 1.60 C ATOM 1506 OG1 THR A 108 2.758 -13.278 -6.980 1.00 1.72 O ATOM 1507 CG2 THR A 108 2.643 -11.201 -8.195 1.00 1.66 C ATOM 0 H THR A 108 4.760 -13.158 -6.337 1.00 1.45 H new ATOM 0 HA THR A 108 3.970 -10.309 -6.240 1.00 1.43 H new ATOM 0 HB THR A 108 1.642 -11.665 -6.351 1.00 1.60 H new ATOM 0 HG1 THR A 108 2.034 -13.628 -7.540 1.00 1.72 H new ATOM 0 HG21 THR A 108 1.837 -11.590 -8.817 1.00 1.66 H new ATOM 0 HG22 THR A 108 2.521 -10.125 -8.075 1.00 1.66 H new ATOM 0 HG23 THR A 108 3.601 -11.407 -8.672 1.00 1.66 H new ATOM 1515 N ARG A 109 2.651 -10.308 -4.036 1.00 1.33 N ATOM 1516 CA ARG A 109 2.161 -10.290 -2.631 1.00 1.32 C ATOM 1517 C ARG A 109 0.665 -10.003 -2.657 1.00 1.37 C ATOM 1518 O ARG A 109 0.190 -9.228 -3.462 1.00 1.49 O ATOM 1519 CB ARG A 109 2.871 -9.204 -1.828 1.00 1.27 C ATOM 1520 CG ARG A 109 3.946 -9.838 -0.942 1.00 1.97 C ATOM 1521 CD ARG A 109 4.816 -10.777 -1.780 1.00 2.63 C ATOM 1522 NE ARG A 109 6.212 -10.759 -1.257 1.00 3.48 N ATOM 1523 CZ ARG A 109 7.050 -11.695 -1.606 1.00 3.74 C ATOM 1524 NH1 ARG A 109 6.666 -12.650 -2.409 1.00 3.39 N ATOM 1525 NH2 ARG A 109 8.274 -11.678 -1.151 1.00 4.70 N ATOM 0 H ARG A 109 2.456 -9.466 -4.577 1.00 1.33 H new ATOM 0 HA ARG A 109 2.364 -11.252 -2.160 1.00 1.32 H new ATOM 0 HB2 ARG A 109 3.324 -8.477 -2.502 1.00 1.27 H new ATOM 0 HB3 ARG A 109 2.151 -8.664 -1.213 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.563 -9.061 -0.490 1.00 1.97 H new ATOM 0 HG3 ARG A 109 3.480 -10.390 -0.126 1.00 1.97 H new ATOM 0 HD2 ARG A 109 4.416 -11.790 -1.744 1.00 2.63 H new ATOM 0 HD3 ARG A 109 4.804 -10.466 -2.825 1.00 2.63 H new ATOM 0 HE ARG A 109 6.511 -10.015 -0.627 1.00 3.48 H new ATOM 0 HH11 ARG A 109 5.710 -12.664 -2.764 1.00 3.39 H new ATOM 0 HH12 ARG A 109 7.322 -13.382 -2.682 1.00 3.39 H new ATOM 0 HH21 ARG A 109 8.574 -10.933 -0.523 1.00 4.70 H new ATOM 0 HH22 ARG A 109 8.930 -12.410 -1.424 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.080 -10.630 -1.794 1.00 1.37 N ATOM 1540 CA GLU A 110 -1.554 -10.413 -1.787 1.00 1.51 C ATOM 1541 C GLU A 110 -1.996 -9.735 -0.489 1.00 1.50 C ATOM 1542 O GLU A 110 -2.080 -10.357 0.551 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.261 -11.764 -1.913 1.00 1.79 C ATOM 1544 CG GLU A 110 -2.751 -11.954 -3.350 1.00 2.12 C ATOM 1545 CD GLU A 110 -3.594 -13.227 -3.439 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -3.117 -14.261 -3.002 1.00 2.69 O ATOM 1547 OE2 GLU A 110 -4.702 -13.146 -3.942 1.00 3.28 O ATOM 0 H GLU A 110 0.266 -11.284 -1.092 1.00 1.37 H new ATOM 0 HA GLU A 110 -1.816 -9.768 -2.626 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -1.579 -12.570 -1.641 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.102 -11.812 -1.222 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -3.341 -11.092 -3.661 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -1.901 -12.020 -4.029 1.00 2.12 H new ATOM 1554 N TYR A 111 -2.302 -8.468 -0.548 1.00 1.66 N ATOM 1555 CA TYR A 111 -2.768 -7.753 0.670 1.00 1.81 C ATOM 1556 C TYR A 111 -4.254 -7.429 0.504 1.00 2.14 C ATOM 1557 O TYR A 111 -4.651 -6.745 -0.418 1.00 2.42 O ATOM 1558 CB TYR A 111 -1.982 -6.451 0.852 1.00 1.87 C ATOM 1559 CG TYR A 111 -0.489 -6.704 0.821 1.00 1.94 C ATOM 1560 CD1 TYR A 111 0.039 -7.978 1.085 1.00 1.82 C ATOM 1561 CD2 TYR A 111 0.376 -5.641 0.532 1.00 2.76 C ATOM 1562 CE1 TYR A 111 1.423 -8.182 1.058 1.00 2.00 C ATOM 1563 CE2 TYR A 111 1.760 -5.846 0.507 1.00 2.96 C ATOM 1564 CZ TYR A 111 2.284 -7.117 0.769 1.00 2.36 C ATOM 1565 OH TYR A 111 3.649 -7.319 0.744 1.00 2.67 O ATOM 0 H TYR A 111 -2.249 -7.897 -1.391 1.00 1.66 H new ATOM 0 HA TYR A 111 -2.611 -8.382 1.546 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.251 -5.748 0.064 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -2.255 -5.987 1.800 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -0.624 -8.801 1.309 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -0.027 -4.660 0.328 1.00 2.76 H new ATOM 0 HE1 TYR A 111 1.828 -9.163 1.260 1.00 2.00 H new ATOM 0 HE2 TYR A 111 2.424 -5.023 0.286 1.00 2.96 H new ATOM 0 HH TYR A 111 3.885 -8.034 1.371 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.079 -7.924 1.384 1.00 2.33 N ATOM 1576 CA ALA A 112 -6.537 -7.654 1.273 1.00 2.71 C ATOM 1577 C ALA A 112 -7.048 -7.042 2.578 1.00 2.50 C ATOM 1578 O ALA A 112 -6.357 -7.017 3.576 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.278 -8.966 1.003 1.00 3.41 C ATOM 0 H ALA A 112 -4.805 -8.505 2.176 1.00 2.33 H new ATOM 0 HA ALA A 112 -6.714 -6.958 0.453 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.347 -8.770 0.921 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -6.917 -9.403 0.072 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.098 -9.661 1.823 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.258 -6.555 2.578 1.00 2.28 N ATOM 1586 CA PHE A 113 -8.816 -5.950 3.819 1.00 2.20 C ATOM 1587 C PHE A 113 -10.343 -6.024 3.781 1.00 1.67 C ATOM 1588 O PHE A 113 -10.926 -6.557 2.857 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.383 -4.487 3.923 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.698 -3.771 2.632 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -8.000 -4.095 1.463 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -9.689 -2.781 2.606 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -8.293 -3.430 0.267 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -9.981 -2.116 1.409 1.00 2.77 C ATOM 1595 CZ PHE A 113 -9.283 -2.440 0.239 1.00 2.64 C ATOM 0 H PHE A 113 -8.884 -6.550 1.773 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.443 -6.499 4.684 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -8.898 -4.003 4.753 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.315 -4.428 4.132 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.236 -4.858 1.484 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -10.227 -2.531 3.508 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -7.755 -3.681 -0.635 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -10.745 -1.353 1.388 1.00 2.77 H new ATOM 0 HZ PHE A 113 -9.508 -1.927 -0.684 1.00 2.64 H new ATOM 1605 N THR A 114 -10.994 -5.494 4.779 1.00 1.53 N ATOM 1606 CA THR A 114 -12.480 -5.534 4.806 1.00 1.47 C ATOM 1607 C THR A 114 -13.034 -4.119 4.624 1.00 1.85 C ATOM 1608 O THR A 114 -12.980 -3.302 5.522 1.00 2.23 O ATOM 1609 CB THR A 114 -12.944 -6.093 6.151 1.00 1.92 C ATOM 1610 OG1 THR A 114 -11.989 -5.767 7.150 1.00 2.12 O ATOM 1611 CG2 THR A 114 -13.084 -7.614 6.055 1.00 2.22 C ATOM 0 H THR A 114 -10.558 -5.034 5.578 1.00 1.53 H new ATOM 0 HA THR A 114 -12.843 -6.170 3.999 1.00 1.47 H new ATOM 0 HB THR A 114 -13.909 -5.658 6.412 1.00 1.92 H new ATOM 0 HG1 THR A 114 -12.285 -6.123 8.014 1.00 2.12 H new ATOM 0 HG21 THR A 114 -13.415 -8.010 7.015 1.00 2.22 H new ATOM 0 HG22 THR A 114 -13.816 -7.864 5.287 1.00 2.22 H new ATOM 0 HG23 THR A 114 -12.121 -8.052 5.794 1.00 2.22 H new ATOM 1619 N SER A 115 -13.568 -3.824 3.471 1.00 2.24 N ATOM 1620 CA SER A 115 -14.126 -2.463 3.234 1.00 2.93 C ATOM 1621 C SER A 115 -14.773 -1.949 4.522 1.00 3.67 C ATOM 1622 O SER A 115 -15.571 -2.627 5.139 1.00 4.11 O ATOM 1623 CB SER A 115 -15.174 -2.528 2.124 1.00 3.21 C ATOM 1624 OG SER A 115 -14.688 -3.346 1.068 1.00 4.06 O ATOM 0 H SER A 115 -13.642 -4.467 2.683 1.00 2.24 H new ATOM 0 HA SER A 115 -13.325 -1.787 2.935 1.00 2.93 H new ATOM 0 HB2 SER A 115 -16.108 -2.933 2.513 1.00 3.21 H new ATOM 0 HB3 SER A 115 -15.391 -1.526 1.753 1.00 3.21 H new ATOM 0 HG SER A 115 -14.684 -4.283 1.355 1.00 4.06 H new ATOM 1630 N ASN A 116 -14.438 -0.757 4.931 1.00 3.92 N ATOM 1631 CA ASN A 116 -15.036 -0.202 6.179 1.00 4.70 C ATOM 1632 C ASN A 116 -15.685 1.151 5.877 1.00 4.40 C ATOM 1633 O ASN A 116 -16.349 1.732 6.711 1.00 4.82 O ATOM 1634 CB ASN A 116 -13.941 -0.019 7.232 1.00 5.27 C ATOM 1635 CG ASN A 116 -13.659 -1.360 7.912 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -12.540 -1.833 7.909 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -14.634 -1.998 8.502 1.00 6.86 N ATOM 0 H ASN A 116 -13.776 -0.143 4.456 1.00 3.92 H new ATOM 0 HA ASN A 116 -15.792 -0.891 6.557 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -13.033 0.362 6.765 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -14.253 0.718 7.972 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -14.455 -2.892 8.959 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -15.574 -1.602 8.505 1.00 6.86 H new ATOM 1644 N LEU A 117 -15.498 1.655 4.688 1.00 3.81 N ATOM 1645 CA LEU A 117 -16.102 2.971 4.333 1.00 3.59 C ATOM 1646 C LEU A 117 -16.427 2.995 2.838 1.00 3.13 C ATOM 1647 O LEU A 117 -15.599 2.677 2.008 1.00 3.28 O ATOM 1648 CB LEU A 117 -15.114 4.092 4.659 1.00 3.83 C ATOM 1649 CG LEU A 117 -15.866 5.276 5.268 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -16.938 5.759 4.288 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -16.533 4.838 6.575 1.00 4.76 C ATOM 0 H LEU A 117 -14.954 1.213 3.947 1.00 3.81 H new ATOM 0 HA LEU A 117 -17.017 3.117 4.907 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -14.357 3.732 5.355 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -14.592 4.405 3.755 1.00 3.83 H new ATOM 0 HG LEU A 117 -15.165 6.086 5.469 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -17.474 6.603 4.722 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -16.466 6.070 3.356 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -17.639 4.949 4.087 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -17.069 5.681 7.010 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -17.234 4.028 6.372 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -15.771 4.493 7.274 1.00 4.76 H new ATOM 1663 N THR A 118 -17.627 3.372 2.488 1.00 3.12 N ATOM 1664 CA THR A 118 -18.003 3.417 1.048 1.00 3.08 C ATOM 1665 C THR A 118 -17.464 4.703 0.418 1.00 3.13 C ATOM 1666 O THR A 118 -17.893 5.792 0.744 1.00 3.70 O ATOM 1667 CB THR A 118 -19.528 3.387 0.919 1.00 3.62 C ATOM 1668 OG1 THR A 118 -20.109 4.002 2.061 1.00 4.06 O ATOM 1669 CG2 THR A 118 -20.007 1.938 0.819 1.00 4.04 C ATOM 0 H THR A 118 -18.362 3.651 3.138 1.00 3.12 H new ATOM 0 HA THR A 118 -17.576 2.555 0.535 1.00 3.08 H new ATOM 0 HB THR A 118 -19.827 3.928 0.021 1.00 3.62 H new ATOM 0 HG1 THR A 118 -21.086 3.986 1.980 1.00 4.06 H new ATOM 0 HG21 THR A 118 -21.093 1.919 0.727 1.00 4.04 H new ATOM 0 HG22 THR A 118 -19.561 1.467 -0.057 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.709 1.394 1.715 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.528 4.587 -0.484 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.966 5.804 -1.133 1.00 3.07 C ATOM 1679 C PHE A 119 -16.418 5.854 -2.595 1.00 2.72 C ATOM 1680 O PHE A 119 -16.582 4.835 -3.236 1.00 2.65 O ATOM 1681 CB PHE A 119 -14.437 5.755 -1.075 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.979 5.954 0.350 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -14.312 7.127 1.037 1.00 4.47 C ATOM 1684 CD2 PHE A 119 -13.218 4.965 0.984 1.00 4.69 C ATOM 1685 CE1 PHE A 119 -13.886 7.311 2.358 1.00 5.10 C ATOM 1686 CE2 PHE A 119 -12.790 5.148 2.305 1.00 5.33 C ATOM 1687 CZ PHE A 119 -13.125 6.321 2.992 1.00 5.44 C ATOM 0 H PHE A 119 -16.129 3.703 -0.799 1.00 2.76 H new ATOM 0 HA PHE A 119 -16.321 6.692 -0.610 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -14.079 4.797 -1.453 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -14.013 6.529 -1.715 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -14.898 7.891 0.548 1.00 4.47 H new ATOM 0 HD2 PHE A 119 -12.961 4.060 0.454 1.00 4.69 H new ATOM 0 HE1 PHE A 119 -14.144 8.216 2.888 1.00 5.10 H new ATOM 0 HE2 PHE A 119 -12.202 4.385 2.793 1.00 5.33 H new ATOM 0 HZ PHE A 119 -12.796 6.462 4.011 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.618 7.036 -3.116 1.00 2.96 N ATOM 1698 CA PRO A 120 -17.061 7.230 -4.527 1.00 2.86 C ATOM 1699 C PRO A 120 -15.944 6.924 -5.531 1.00 3.02 C ATOM 1700 O PRO A 120 -14.790 6.813 -5.170 1.00 3.70 O ATOM 1701 CB PRO A 120 -17.445 8.709 -4.590 1.00 3.40 C ATOM 1702 CG PRO A 120 -16.661 9.370 -3.505 1.00 4.04 C ATOM 1703 CD PRO A 120 -16.445 8.318 -2.415 1.00 3.80 C ATOM 0 HA PRO A 120 -17.878 6.558 -4.790 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -17.205 9.136 -5.564 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -18.516 8.843 -4.438 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -15.707 9.735 -3.885 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -17.198 10.232 -3.110 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -15.452 8.400 -1.973 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -17.165 8.430 -1.604 1.00 3.80 H new ATOM 1711 N PRO A 121 -16.291 6.793 -6.784 1.00 2.87 N ATOM 1712 CA PRO A 121 -15.311 6.500 -7.865 1.00 3.45 C ATOM 1713 C PRO A 121 -14.575 7.759 -8.331 1.00 3.18 C ATOM 1714 O PRO A 121 -13.389 7.737 -8.596 1.00 3.79 O ATOM 1715 CB PRO A 121 -16.183 5.945 -8.988 1.00 3.90 C ATOM 1716 CG PRO A 121 -17.517 6.593 -8.805 1.00 3.47 C ATOM 1717 CD PRO A 121 -17.659 6.912 -7.313 1.00 2.74 C ATOM 0 HA PRO A 121 -14.529 5.815 -7.537 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -15.762 6.179 -9.966 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -16.261 4.860 -8.926 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -17.589 7.502 -9.402 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -18.316 5.930 -9.135 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -18.060 7.913 -7.157 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -18.338 6.216 -6.820 1.00 2.74 H new ATOM 1725 N ASP A 122 -15.272 8.857 -8.433 1.00 2.63 N ATOM 1726 CA ASP A 122 -14.617 10.117 -8.881 1.00 2.65 C ATOM 1727 C ASP A 122 -14.804 11.197 -7.813 1.00 2.94 C ATOM 1728 O ASP A 122 -14.914 10.908 -6.638 1.00 3.74 O ATOM 1729 CB ASP A 122 -15.250 10.583 -10.194 1.00 2.79 C ATOM 1730 CG ASP A 122 -15.164 9.461 -11.230 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -14.094 8.893 -11.369 1.00 4.14 O ATOM 1732 OD2 ASP A 122 -16.169 9.190 -11.866 1.00 3.56 O ATOM 0 H ASP A 122 -16.268 8.936 -8.225 1.00 2.63 H new ATOM 0 HA ASP A 122 -13.553 9.938 -9.034 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -16.291 10.861 -10.029 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -14.737 11.472 -10.562 1.00 2.79 H new ATOM 1737 N GLY A 123 -14.841 12.439 -8.211 1.00 2.81 N ATOM 1738 CA GLY A 123 -15.020 13.536 -7.218 1.00 3.57 C ATOM 1739 C GLY A 123 -13.672 14.207 -6.947 1.00 3.16 C ATOM 1740 O GLY A 123 -12.863 14.376 -7.837 1.00 3.47 O ATOM 0 H GLY A 123 -14.755 12.742 -9.181 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -15.733 14.269 -7.595 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -15.432 13.138 -6.291 1.00 3.57 H new ATOM 1744 N ASP A 124 -13.426 14.591 -5.724 1.00 2.78 N ATOM 1745 CA ASP A 124 -12.131 15.251 -5.398 1.00 2.58 C ATOM 1746 C ASP A 124 -11.324 14.353 -4.457 1.00 2.15 C ATOM 1747 O ASP A 124 -10.325 14.762 -3.899 1.00 2.31 O ATOM 1748 CB ASP A 124 -12.401 16.594 -4.715 1.00 3.01 C ATOM 1749 CG ASP A 124 -12.628 16.369 -3.220 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -11.706 15.915 -2.562 1.00 3.59 O ATOM 1751 OD2 ASP A 124 -13.719 16.656 -2.756 1.00 3.51 O ATOM 0 H ASP A 124 -14.065 14.476 -4.938 1.00 2.78 H new ATOM 0 HA ASP A 124 -11.566 15.417 -6.315 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -11.558 17.268 -4.868 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -13.275 17.071 -5.159 1.00 3.01 H new ATOM 1756 N ALA A 125 -11.749 13.133 -4.277 1.00 1.83 N ATOM 1757 CA ALA A 125 -11.006 12.212 -3.373 1.00 1.67 C ATOM 1758 C ALA A 125 -11.481 10.775 -3.603 1.00 1.39 C ATOM 1759 O ALA A 125 -11.882 10.090 -2.683 1.00 1.38 O ATOM 1760 CB ALA A 125 -11.266 12.607 -1.917 1.00 2.08 C ATOM 0 H ALA A 125 -12.579 12.734 -4.717 1.00 1.83 H new ATOM 0 HA ALA A 125 -9.939 12.280 -3.584 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -10.722 11.933 -1.255 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -10.928 13.630 -1.751 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -12.333 12.540 -1.707 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.435 10.328 -4.828 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.866 8.951 -5.203 1.00 1.14 C ATOM 1768 C PRO A 126 -10.855 7.888 -4.764 1.00 1.05 C ATOM 1769 O PRO A 126 -10.060 8.104 -3.872 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.959 9.002 -6.728 1.00 1.27 C ATOM 1771 CG PRO A 126 -11.023 10.087 -7.147 1.00 1.31 C ATOM 1772 CD PRO A 126 -10.965 11.092 -5.994 1.00 1.39 C ATOM 0 HA PRO A 126 -12.802 8.674 -4.719 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -11.677 8.047 -7.171 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -12.978 9.215 -7.052 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -10.033 9.683 -7.358 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -11.372 10.567 -8.061 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -9.953 11.467 -5.843 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.600 11.957 -6.186 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.881 6.740 -5.385 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.922 5.665 -5.005 1.00 1.03 C ATOM 1782 C GLY A 127 -8.549 6.277 -4.725 1.00 1.09 C ATOM 1783 O GLY A 127 -8.218 7.336 -5.222 1.00 1.19 O ATOM 0 H GLY A 127 -11.525 6.501 -6.139 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.283 5.137 -4.122 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.847 4.931 -5.807 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.745 5.620 -3.934 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.394 6.168 -3.627 1.00 1.26 C ATOM 1789 C GLN A 128 -5.454 5.025 -3.238 1.00 1.11 C ATOM 1790 O GLN A 128 -5.818 4.127 -2.506 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.497 7.160 -2.467 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.688 8.416 -2.798 1.00 1.64 C ATOM 1793 CD GLN A 128 -5.248 9.098 -1.500 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -4.907 8.365 -0.476 1.00 2.01 O flip ATOM 1795 NE2 GLN A 128 -5.214 10.309 -1.419 1.00 1.99 N flip ATOM 0 H GLN A 128 -7.965 4.729 -3.488 1.00 1.12 H new ATOM 0 HA GLN A 128 -6.001 6.677 -4.507 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.540 7.422 -2.290 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.123 6.704 -1.550 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.816 8.152 -3.396 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -6.289 9.101 -3.396 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -5.481 10.881 -2.220 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -4.919 10.754 -0.550 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.243 5.057 -3.722 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.268 3.983 -3.382 1.00 0.91 C ATOM 1806 C VAL A 129 -1.855 4.554 -3.487 1.00 0.88 C ATOM 1807 O VAL A 129 -1.597 5.445 -4.271 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.425 2.815 -4.359 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -3.171 3.303 -5.788 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -2.414 1.722 -4.006 1.00 0.89 C ATOM 0 H VAL A 129 -3.885 5.784 -4.341 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.450 3.624 -2.369 1.00 0.91 H new ATOM 0 HB VAL A 129 -4.437 2.415 -4.289 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -3.283 2.470 -6.482 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -3.889 4.084 -6.039 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -2.160 3.703 -5.862 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -2.523 0.888 -4.700 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -1.403 2.124 -4.078 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -2.595 1.374 -2.989 1.00 0.89 H new ATOM 1820 N ALA A 130 -0.937 4.062 -2.702 1.00 0.78 N ATOM 1821 CA ALA A 130 0.446 4.604 -2.772 1.00 0.85 C ATOM 1822 C ALA A 130 1.439 3.595 -2.192 1.00 0.75 C ATOM 1823 O ALA A 130 1.414 3.286 -1.016 1.00 0.73 O ATOM 1824 CB ALA A 130 0.515 5.906 -1.972 1.00 0.98 C ATOM 0 H ALA A 130 -1.083 3.316 -2.022 1.00 0.78 H new ATOM 0 HA ALA A 130 0.705 4.794 -3.814 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.527 6.309 -2.019 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.184 6.629 -2.393 1.00 0.98 H new ATOM 0 HB3 ALA A 130 0.251 5.709 -0.933 1.00 0.98 H new ATOM 1830 N PHE A 131 2.322 3.091 -3.010 1.00 0.75 N ATOM 1831 CA PHE A 131 3.329 2.115 -2.510 1.00 0.70 C ATOM 1832 C PHE A 131 4.517 2.894 -1.941 1.00 0.77 C ATOM 1833 O PHE A 131 5.311 3.446 -2.676 1.00 0.99 O ATOM 1834 CB PHE A 131 3.815 1.233 -3.663 1.00 0.70 C ATOM 1835 CG PHE A 131 2.669 0.463 -4.290 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.359 0.567 -3.794 1.00 1.29 C ATOM 1837 CD2 PHE A 131 2.930 -0.370 -5.386 1.00 1.49 C ATOM 1838 CE1 PHE A 131 0.323 -0.158 -4.395 1.00 1.54 C ATOM 1839 CE2 PHE A 131 1.893 -1.094 -5.984 1.00 1.73 C ATOM 1840 CZ PHE A 131 0.589 -0.988 -5.489 1.00 1.48 C ATOM 0 H PHE A 131 2.389 3.313 -4.003 1.00 0.75 H new ATOM 0 HA PHE A 131 2.882 1.484 -1.742 1.00 0.70 H new ATOM 0 HB2 PHE A 131 4.296 1.853 -4.420 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.568 0.535 -3.297 1.00 0.70 H new ATOM 0 HD1 PHE A 131 1.151 1.206 -2.949 1.00 1.29 H new ATOM 0 HD2 PHE A 131 3.936 -0.453 -5.771 1.00 1.49 H new ATOM 0 HE1 PHE A 131 -0.684 -0.076 -4.013 1.00 1.54 H new ATOM 0 HE2 PHE A 131 2.099 -1.735 -6.828 1.00 1.73 H new ATOM 0 HZ PHE A 131 -0.212 -1.546 -5.951 1.00 1.48 H new ATOM 1850 N HIS A 132 4.640 2.952 -0.643 1.00 0.82 N ATOM 1851 CA HIS A 132 5.772 3.708 -0.037 1.00 0.96 C ATOM 1852 C HIS A 132 6.885 2.738 0.366 1.00 1.03 C ATOM 1853 O HIS A 132 6.681 1.833 1.151 1.00 1.41 O ATOM 1854 CB HIS A 132 5.279 4.457 1.202 1.00 1.41 C ATOM 1855 CG HIS A 132 4.198 5.425 0.806 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.381 6.044 1.739 1.00 1.70 N ATOM 1857 CD2 HIS A 132 3.785 5.889 -0.419 1.00 1.88 C ATOM 1858 CE1 HIS A 132 2.528 6.839 1.069 1.00 1.96 C ATOM 1859 NE2 HIS A 132 2.731 6.783 -0.249 1.00 2.32 N ATOM 0 H HIS A 132 4.007 2.509 0.023 1.00 0.82 H new ATOM 0 HA HIS A 132 6.160 4.420 -0.766 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.897 3.751 1.939 1.00 1.41 H new ATOM 0 HB3 HIS A 132 6.106 4.991 1.670 1.00 1.41 H new ATOM 0 HD1 HIS A 132 3.420 5.919 2.751 1.00 1.70 H new ATOM 0 HD2 HIS A 132 4.212 5.604 -1.369 1.00 1.88 H new ATOM 0 HE1 HIS A 132 1.771 7.448 1.540 1.00 1.96 H new ATOM 1867 N LEU A 133 8.061 2.920 -0.169 1.00 1.00 N ATOM 1868 CA LEU A 133 9.189 2.011 0.180 1.00 1.39 C ATOM 1869 C LEU A 133 10.515 2.762 0.032 1.00 1.62 C ATOM 1870 O LEU A 133 11.323 2.459 -0.824 1.00 2.04 O ATOM 1871 CB LEU A 133 9.174 0.800 -0.756 1.00 1.58 C ATOM 1872 CG LEU A 133 8.182 1.044 -1.894 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.591 2.297 -2.672 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.188 -0.162 -2.832 1.00 2.11 C ATOM 0 H LEU A 133 8.290 3.660 -0.833 1.00 1.00 H new ATOM 0 HA LEU A 133 9.080 1.673 1.210 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.172 0.628 -1.160 1.00 1.58 H new ATOM 0 HB3 LEU A 133 8.895 -0.097 -0.203 1.00 1.58 H new ATOM 0 HG LEU A 133 7.182 1.186 -1.483 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.883 2.469 -3.483 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.592 3.157 -2.002 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.590 2.158 -3.086 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.482 0.006 -3.646 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.189 -0.299 -3.242 1.00 2.11 H new ATOM 0 HD23 LEU A 133 7.897 -1.055 -2.279 1.00 2.11 H new ATOM 1886 N GLY A 134 10.747 3.745 0.859 1.00 1.46 N ATOM 1887 CA GLY A 134 12.021 4.513 0.763 1.00 1.77 C ATOM 1888 C GLY A 134 12.320 5.179 2.107 1.00 1.08 C ATOM 1889 O GLY A 134 11.719 6.174 2.463 1.00 0.83 O ATOM 0 H GLY A 134 10.111 4.049 1.596 1.00 1.46 H new ATOM 0 HA2 GLY A 134 12.839 3.848 0.485 1.00 1.77 H new ATOM 0 HA3 GLY A 134 11.944 5.268 -0.020 1.00 1.77 H new ATOM 1893 N LYS A 135 13.243 4.642 2.855 1.00 1.23 N ATOM 1894 CA LYS A 135 13.579 5.248 4.174 1.00 1.09 C ATOM 1895 C LYS A 135 15.024 4.911 4.541 1.00 1.32 C ATOM 1896 O LYS A 135 15.744 4.311 3.769 1.00 1.76 O ATOM 1897 CB LYS A 135 12.640 4.693 5.248 1.00 1.93 C ATOM 1898 CG LYS A 135 11.292 4.338 4.618 1.00 2.37 C ATOM 1899 CD LYS A 135 10.391 3.688 5.672 1.00 3.36 C ATOM 1900 CE LYS A 135 10.425 2.168 5.505 1.00 4.04 C ATOM 1901 NZ LYS A 135 11.805 1.737 5.147 1.00 5.06 N ATOM 0 H LYS A 135 13.779 3.810 2.610 1.00 1.23 H new ATOM 0 HA LYS A 135 13.463 6.330 4.112 1.00 1.09 H new ATOM 0 HB2 LYS A 135 13.081 3.809 5.709 1.00 1.93 H new ATOM 0 HB3 LYS A 135 12.500 5.430 6.039 1.00 1.93 H new ATOM 0 HG2 LYS A 135 10.817 5.235 4.221 1.00 2.37 H new ATOM 0 HG3 LYS A 135 11.438 3.657 3.780 1.00 2.37 H new ATOM 0 HD2 LYS A 135 10.727 3.962 6.672 1.00 3.36 H new ATOM 0 HD3 LYS A 135 9.369 4.053 5.568 1.00 3.36 H new ATOM 0 HE2 LYS A 135 10.110 1.683 6.429 1.00 4.04 H new ATOM 0 HE3 LYS A 135 9.724 1.861 4.729 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 11.874 0.702 5.216 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 12.020 2.035 4.174 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 12.486 2.173 5.801 1.00 5.06 H new ATOM 1915 N ALA A 136 15.455 5.287 5.713 1.00 1.56 N ATOM 1916 CA ALA A 136 16.852 4.973 6.116 1.00 1.90 C ATOM 1917 C ALA A 136 17.145 3.521 5.743 1.00 2.22 C ATOM 1918 O ALA A 136 18.275 3.074 5.758 1.00 2.64 O ATOM 1919 CB ALA A 136 17.007 5.159 7.626 1.00 2.27 C ATOM 0 H ALA A 136 14.903 5.795 6.405 1.00 1.56 H new ATOM 0 HA ALA A 136 17.548 5.639 5.607 1.00 1.90 H new ATOM 0 HB1 ALA A 136 18.032 4.928 7.918 1.00 2.27 H new ATOM 0 HB2 ALA A 136 16.778 6.191 7.891 1.00 2.27 H new ATOM 0 HB3 ALA A 136 16.322 4.490 8.147 1.00 2.27 H new ATOM 1925 N GLY A 137 16.123 2.782 5.402 1.00 2.17 N ATOM 1926 CA GLY A 137 16.319 1.358 5.018 1.00 2.51 C ATOM 1927 C GLY A 137 15.983 1.182 3.537 1.00 1.81 C ATOM 1928 O GLY A 137 16.033 0.091 3.006 1.00 2.11 O ATOM 0 H GLY A 137 15.157 3.107 5.374 1.00 2.17 H new ATOM 0 HA2 GLY A 137 17.349 1.057 5.207 1.00 2.51 H new ATOM 0 HA3 GLY A 137 15.683 0.715 5.626 1.00 2.51 H new ATOM 1932 N ALA A 138 15.637 2.249 2.868 1.00 1.23 N ATOM 1933 CA ALA A 138 15.297 2.147 1.419 1.00 1.37 C ATOM 1934 C ALA A 138 16.219 1.127 0.744 1.00 1.13 C ATOM 1935 O ALA A 138 17.230 0.731 1.288 1.00 1.41 O ATOM 1936 CB ALA A 138 15.480 3.515 0.757 1.00 2.32 C ATOM 0 H ALA A 138 15.575 3.188 3.262 1.00 1.23 H new ATOM 0 HA ALA A 138 14.261 1.824 1.312 1.00 1.37 H new ATOM 0 HB1 ALA A 138 15.232 3.443 -0.302 1.00 2.32 H new ATOM 0 HB2 ALA A 138 14.823 4.241 1.235 1.00 2.32 H new ATOM 0 HB3 ALA A 138 16.516 3.836 0.866 1.00 2.32 H new ATOM 1942 N TYR A 139 15.882 0.703 -0.444 1.00 0.82 N ATOM 1943 CA TYR A 139 16.739 -0.289 -1.153 1.00 0.75 C ATOM 1944 C TYR A 139 16.414 -0.270 -2.651 1.00 0.76 C ATOM 1945 O TYR A 139 16.732 0.671 -3.350 1.00 0.83 O ATOM 1946 CB TYR A 139 16.481 -1.682 -0.574 1.00 0.74 C ATOM 1947 CG TYR A 139 15.042 -1.804 -0.124 1.00 0.79 C ATOM 1948 CD1 TYR A 139 14.030 -1.068 -0.756 1.00 1.42 C ATOM 1949 CD2 TYR A 139 14.720 -2.661 0.936 1.00 1.41 C ATOM 1950 CE1 TYR A 139 12.703 -1.190 -0.330 1.00 1.61 C ATOM 1951 CE2 TYR A 139 13.393 -2.783 1.361 1.00 1.42 C ATOM 1952 CZ TYR A 139 12.384 -2.049 0.729 1.00 1.11 C ATOM 1953 OH TYR A 139 11.075 -2.169 1.149 1.00 1.32 O ATOM 0 H TYR A 139 15.050 1.001 -0.954 1.00 0.82 H new ATOM 0 HA TYR A 139 17.790 -0.034 -1.018 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.700 -2.442 -1.324 1.00 0.74 H new ATOM 0 HB3 TYR A 139 17.149 -1.863 0.268 1.00 0.74 H new ATOM 0 HD1 TYR A 139 14.275 -0.406 -1.573 1.00 1.42 H new ATOM 0 HD2 TYR A 139 15.497 -3.228 1.426 1.00 1.41 H new ATOM 0 HE1 TYR A 139 11.925 -0.622 -0.818 1.00 1.61 H new ATOM 0 HE2 TYR A 139 13.147 -3.445 2.178 1.00 1.42 H new ATOM 0 HH TYR A 139 11.036 -2.092 2.125 1.00 1.32 H new ATOM 1963 N GLU A 140 15.776 -1.294 -3.150 1.00 0.80 N ATOM 1964 CA GLU A 140 15.426 -1.321 -4.599 1.00 0.87 C ATOM 1965 C GLU A 140 14.010 -1.877 -4.762 1.00 0.77 C ATOM 1966 O GLU A 140 13.620 -2.809 -4.087 1.00 0.73 O ATOM 1967 CB GLU A 140 16.417 -2.213 -5.351 1.00 1.13 C ATOM 1968 CG GLU A 140 17.782 -1.522 -5.410 1.00 0.93 C ATOM 1969 CD GLU A 140 18.859 -2.550 -5.761 1.00 0.94 C ATOM 1970 OE1 GLU A 140 19.034 -3.481 -4.993 1.00 1.25 O ATOM 1971 OE2 GLU A 140 19.491 -2.388 -6.792 1.00 1.65 O ATOM 0 H GLU A 140 15.482 -2.113 -2.617 1.00 0.80 H new ATOM 0 HA GLU A 140 15.473 -0.311 -5.006 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.507 -3.177 -4.851 1.00 1.13 H new ATOM 0 HB3 GLU A 140 16.053 -2.410 -6.359 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.767 -0.726 -6.155 1.00 0.93 H new ATOM 0 HG3 GLU A 140 18.008 -1.056 -4.451 1.00 0.93 H new ATOM 1978 N PHE A 141 13.231 -1.312 -5.645 1.00 0.77 N ATOM 1979 CA PHE A 141 11.840 -1.815 -5.833 1.00 0.75 C ATOM 1980 C PHE A 141 11.615 -2.190 -7.299 1.00 0.72 C ATOM 1981 O PHE A 141 11.740 -1.368 -8.183 1.00 0.73 O ATOM 1982 CB PHE A 141 10.850 -0.719 -5.429 1.00 0.79 C ATOM 1983 CG PHE A 141 9.454 -1.292 -5.361 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.172 -2.350 -4.488 1.00 1.64 C ATOM 1985 CD2 PHE A 141 8.441 -0.759 -6.166 1.00 1.17 C ATOM 1986 CE1 PHE A 141 7.877 -2.876 -4.423 1.00 1.68 C ATOM 1987 CE2 PHE A 141 7.145 -1.285 -6.101 1.00 1.26 C ATOM 1988 CZ PHE A 141 6.862 -2.343 -5.229 1.00 1.00 C ATOM 0 H PHE A 141 13.496 -0.528 -6.241 1.00 0.77 H new ATOM 0 HA PHE A 141 11.688 -2.698 -5.212 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.130 -0.302 -4.462 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.883 0.098 -6.150 1.00 0.79 H new ATOM 0 HD1 PHE A 141 9.954 -2.760 -3.865 1.00 1.64 H new ATOM 0 HD2 PHE A 141 8.659 0.058 -6.838 1.00 1.17 H new ATOM 0 HE1 PHE A 141 7.660 -3.693 -3.751 1.00 1.68 H new ATOM 0 HE2 PHE A 141 6.364 -0.875 -6.724 1.00 1.26 H new ATOM 0 HZ PHE A 141 5.862 -2.748 -5.177 1.00 1.00 H new ATOM 1998 N CYS A 142 11.286 -3.428 -7.563 1.00 0.70 N ATOM 1999 CA CYS A 142 11.055 -3.862 -8.970 1.00 0.68 C ATOM 2000 C CYS A 142 9.608 -4.333 -9.139 1.00 0.68 C ATOM 2001 O CYS A 142 9.259 -5.437 -8.771 1.00 0.74 O ATOM 2002 CB CYS A 142 11.998 -5.019 -9.300 1.00 0.68 C ATOM 2003 SG CYS A 142 13.553 -4.398 -9.995 1.00 0.72 S ATOM 0 H CYS A 142 11.167 -4.158 -6.861 1.00 0.70 H new ATOM 0 HA CYS A 142 11.243 -3.023 -9.640 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.202 -5.597 -8.399 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.520 -5.693 -10.010 1.00 0.68 H new ATOM 2008 N ILE A 143 8.767 -3.511 -9.707 1.00 0.83 N ATOM 2009 CA ILE A 143 7.348 -3.918 -9.916 1.00 0.89 C ATOM 2010 C ILE A 143 7.162 -4.344 -11.369 1.00 0.92 C ATOM 2011 O ILE A 143 7.629 -3.699 -12.288 1.00 0.91 O ATOM 2012 CB ILE A 143 6.416 -2.750 -9.568 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.490 -2.425 -10.745 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.249 -1.513 -9.227 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.476 -1.362 -10.315 1.00 1.22 C ATOM 0 H ILE A 143 9.002 -2.574 -10.036 1.00 0.83 H new ATOM 0 HA ILE A 143 7.101 -4.757 -9.265 1.00 0.89 H new ATOM 0 HB ILE A 143 5.808 -3.038 -8.711 1.00 0.95 H new ATOM 0 HG12 ILE A 143 6.073 -2.065 -11.593 1.00 1.11 H new ATOM 0 HG13 ILE A 143 4.972 -3.326 -11.074 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.585 -0.684 -8.980 1.00 0.92 H new ATOM 0 HG22 ILE A 143 7.891 -1.731 -8.373 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.865 -1.242 -10.084 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.816 -1.129 -11.151 1.00 1.22 H new ATOM 0 HD12 ILE A 143 3.885 -1.739 -9.480 1.00 1.22 H new ATOM 0 HD13 ILE A 143 5.004 -0.459 -10.007 1.00 1.22 H new ATOM 2027 N SER A 144 6.479 -5.431 -11.577 1.00 1.00 N ATOM 2028 CA SER A 144 6.253 -5.914 -12.965 1.00 1.07 C ATOM 2029 C SER A 144 4.784 -5.709 -13.327 1.00 1.14 C ATOM 2030 O SER A 144 4.421 -5.657 -14.485 1.00 1.33 O ATOM 2031 CB SER A 144 6.601 -7.400 -13.055 1.00 1.17 C ATOM 2032 OG SER A 144 5.443 -8.173 -12.769 1.00 1.28 O ATOM 0 H SER A 144 6.066 -6.008 -10.844 1.00 1.00 H new ATOM 0 HA SER A 144 6.885 -5.357 -13.657 1.00 1.07 H new ATOM 0 HB2 SER A 144 6.974 -7.638 -14.051 1.00 1.17 H new ATOM 0 HB3 SER A 144 7.397 -7.642 -12.350 1.00 1.17 H new ATOM 0 HG SER A 144 5.663 -9.126 -12.827 1.00 1.28 H new ATOM 2038 N GLN A 145 3.933 -5.591 -12.345 1.00 1.08 N ATOM 2039 CA GLN A 145 2.489 -5.388 -12.653 1.00 1.29 C ATOM 2040 C GLN A 145 1.712 -5.040 -11.380 1.00 1.38 C ATOM 2041 O GLN A 145 2.275 -4.874 -10.317 1.00 1.99 O ATOM 2042 CB GLN A 145 1.918 -6.668 -13.274 1.00 1.40 C ATOM 2043 CG GLN A 145 1.297 -7.546 -12.185 1.00 1.94 C ATOM 2044 CD GLN A 145 1.142 -8.977 -12.704 1.00 2.35 C ATOM 2045 OE1 GLN A 145 2.020 -9.454 -13.544 1.00 2.30 O flip ATOM 2046 NE2 GLN A 145 0.212 -9.669 -12.340 1.00 3.30 N flip ATOM 0 H GLN A 145 4.171 -5.626 -11.354 1.00 1.08 H new ATOM 0 HA GLN A 145 2.390 -4.561 -13.356 1.00 1.29 H new ATOM 0 HB2 GLN A 145 1.166 -6.415 -14.022 1.00 1.40 H new ATOM 0 HB3 GLN A 145 2.707 -7.216 -13.788 1.00 1.40 H new ATOM 0 HG2 GLN A 145 1.926 -7.538 -11.295 1.00 1.94 H new ATOM 0 HG3 GLN A 145 0.326 -7.147 -11.893 1.00 1.94 H new ATOM 0 HE21 GLN A 145 -0.474 -9.297 -11.684 1.00 3.30 H new ATOM 0 HE22 GLN A 145 0.118 -10.622 -12.691 1.00 3.30 H new ATOM 2055 N VAL A 146 0.415 -4.936 -11.491 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.424 -4.605 -10.305 1.00 1.53 C ATOM 2057 C VAL A 146 -1.874 -4.998 -10.599 1.00 1.48 C ATOM 2058 O VAL A 146 -2.544 -4.377 -11.401 1.00 1.44 O ATOM 2059 CB VAL A 146 -0.347 -3.102 -10.026 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -1.135 -2.343 -11.096 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.947 -2.809 -8.649 1.00 2.16 C ATOM 0 H VAL A 146 -0.103 -5.067 -12.360 1.00 1.54 H new ATOM 0 HA VAL A 146 -0.063 -5.150 -9.433 1.00 1.53 H new ATOM 0 HB VAL A 146 0.695 -2.782 -10.046 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -1.080 -1.273 -10.897 1.00 2.26 H new ATOM 0 HG12 VAL A 146 -0.710 -2.552 -12.078 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -2.177 -2.663 -11.076 1.00 2.26 H new ATOM 0 HG21 VAL A 146 -0.893 -1.739 -8.449 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -1.989 -3.129 -8.630 1.00 2.16 H new ATOM 0 HG23 VAL A 146 -0.387 -3.350 -7.886 1.00 2.16 H new ATOM 2071 N SER A 147 -2.363 -6.032 -9.968 1.00 1.63 N ATOM 2072 CA SER A 147 -3.764 -6.465 -10.229 1.00 1.76 C ATOM 2073 C SER A 147 -4.671 -6.045 -9.071 1.00 2.04 C ATOM 2074 O SER A 147 -4.283 -6.076 -7.919 1.00 2.17 O ATOM 2075 CB SER A 147 -3.804 -7.985 -10.381 1.00 2.02 C ATOM 2076 OG SER A 147 -2.567 -8.437 -10.914 1.00 2.76 O ATOM 0 H SER A 147 -1.854 -6.593 -9.285 1.00 1.63 H new ATOM 0 HA SER A 147 -4.118 -5.992 -11.145 1.00 1.76 H new ATOM 0 HB2 SER A 147 -3.990 -8.454 -9.415 1.00 2.02 H new ATOM 0 HB3 SER A 147 -4.624 -8.275 -11.038 1.00 2.02 H new ATOM 0 HG SER A 147 -1.904 -8.499 -10.195 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.881 -5.660 -9.372 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.828 -5.243 -8.300 1.00 2.65 C ATOM 2084 C LEU A 148 -8.098 -6.093 -8.397 1.00 2.54 C ATOM 2085 O LEU A 148 -8.871 -5.964 -9.325 1.00 3.02 O ATOM 2086 CB LEU A 148 -7.189 -3.767 -8.484 1.00 3.24 C ATOM 2087 CG LEU A 148 -7.691 -3.188 -7.160 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -8.717 -4.137 -6.539 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -6.511 -3.017 -6.201 1.00 3.26 C ATOM 0 H LEU A 148 -6.256 -5.616 -10.320 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.364 -5.383 -7.324 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -6.317 -3.210 -8.828 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -7.956 -3.664 -9.251 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.158 -2.220 -7.342 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -9.073 -3.722 -5.596 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -9.558 -4.261 -7.221 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -8.253 -5.106 -6.356 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -6.866 -2.604 -5.257 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -6.045 -3.986 -6.021 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -5.780 -2.339 -6.641 1.00 3.26 H new ATOM 2101 N THR A 149 -8.319 -6.965 -7.452 1.00 2.09 N ATOM 2102 CA THR A 149 -9.537 -7.820 -7.501 1.00 2.24 C ATOM 2103 C THR A 149 -10.242 -7.796 -6.144 1.00 1.93 C ATOM 2104 O THR A 149 -9.699 -7.334 -5.159 1.00 1.84 O ATOM 2105 CB THR A 149 -9.136 -9.258 -7.841 1.00 2.53 C ATOM 2106 OG1 THR A 149 -10.078 -10.156 -7.271 1.00 3.07 O ATOM 2107 CG2 THR A 149 -7.745 -9.547 -7.278 1.00 2.42 C ATOM 0 H THR A 149 -7.709 -7.122 -6.649 1.00 2.09 H new ATOM 0 HA THR A 149 -10.214 -7.438 -8.265 1.00 2.24 H new ATOM 0 HB THR A 149 -9.120 -9.387 -8.923 1.00 2.53 H new ATOM 0 HG1 THR A 149 -10.837 -10.265 -7.882 1.00 3.07 H new ATOM 0 HG21 THR A 149 -7.460 -10.571 -7.520 1.00 2.42 H new ATOM 0 HG22 THR A 149 -7.024 -8.856 -7.716 1.00 2.42 H new ATOM 0 HG23 THR A 149 -7.757 -9.420 -6.195 1.00 2.42 H new ATOM 2115 N THR A 150 -11.448 -8.291 -6.084 1.00 1.92 N ATOM 2116 CA THR A 150 -12.190 -8.298 -4.792 1.00 1.72 C ATOM 2117 C THR A 150 -13.051 -9.558 -4.710 1.00 1.75 C ATOM 2118 O THR A 150 -13.152 -10.191 -3.677 1.00 2.00 O ATOM 2119 CB THR A 150 -13.080 -7.055 -4.708 1.00 1.59 C ATOM 2120 OG1 THR A 150 -13.217 -6.661 -3.350 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.461 -7.358 -5.295 1.00 1.66 C ATOM 0 H THR A 150 -11.952 -8.691 -6.875 1.00 1.92 H new ATOM 0 HA THR A 150 -11.483 -8.289 -3.962 1.00 1.72 H new ATOM 0 HB THR A 150 -12.620 -6.248 -5.278 1.00 1.59 H new ATOM 0 HG1 THR A 150 -13.078 -5.694 -3.274 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.087 -6.468 -5.231 1.00 1.66 H new ATOM 0 HG22 THR A 150 -14.356 -7.653 -6.339 1.00 1.66 H new ATOM 0 HG23 THR A 150 -14.925 -8.169 -4.734 1.00 1.66 H new