USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 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 3 LYS NZ :NH3+ -152:sc= -0.0279 (180deg=-0.918) USER MOD Set 1.2: A 5 TYR OH : rot 174:sc= -0.0869 USER MOD Single : A 7 TYR OH : rot -60:sc= 1.21 USER MOD Single : A 9 SER OG : rot -170:sc= -0.714 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.148 F(o=-1.3,f=-0.15) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.397 K(o=0.4,f=-3.1!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.226 USER MOD Single : A 39 GLN : amide:sc= -1.92 K(o=-1.9,f=-3.9!) USER MOD Single : A 44 MET CE :methyl 144:sc= -5.34! (180deg=-8.17!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.15! X(o=-2.2!,f=-2.4) USER MOD Single : A 61 LYS NZ :NH3+ -138:sc= -2.32 (180deg=-4.63!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N LYS A 3 -0.059 -5.916 -1.261 1.00 62.00 N ATOM 40 CA LYS A 3 -1.005 -6.736 -0.514 1.00 21.12 C ATOM 41 C LYS A 3 -0.274 -7.714 0.401 1.00 43.15 C ATOM 42 O LYS A 3 0.593 -8.466 -0.046 1.00 43.40 O ATOM 43 CB LYS A 3 -1.916 -7.504 -1.475 1.00 2.34 C ATOM 44 CG LYS A 3 -2.745 -8.581 -0.797 1.00 3.02 C ATOM 45 CD LYS A 3 -4.130 -8.688 -1.412 1.00 30.32 C ATOM 46 CE LYS A 3 -4.058 -9.038 -2.890 1.00 41.24 C ATOM 47 NZ LYS A 3 -4.793 -10.295 -3.200 1.00 31.34 N ATOM 0 HA LYS A 3 -1.613 -6.074 0.103 1.00 21.12 H new ATOM 0 HB2 LYS A 3 -2.585 -6.800 -1.969 1.00 2.34 H new ATOM 0 HB3 LYS A 3 -1.305 -7.963 -2.253 1.00 2.34 H new ATOM 0 HG2 LYS A 3 -2.234 -9.540 -0.879 1.00 3.02 H new ATOM 0 HG3 LYS A 3 -2.834 -8.358 0.266 1.00 3.02 H new ATOM 0 HD2 LYS A 3 -4.706 -9.449 -0.885 1.00 30.32 H new ATOM 0 HD3 LYS A 3 -4.659 -7.743 -1.286 1.00 30.32 H new ATOM 0 HE2 LYS A 3 -4.475 -8.220 -3.477 1.00 41.24 H new ATOM 0 HE3 LYS A 3 -3.015 -9.145 -3.187 1.00 41.24 H new ATOM 0 HZ1 LYS A 3 -4.365 -10.752 -4.030 1.00 31.34 H new ATOM 0 HZ2 LYS A 3 -4.739 -10.939 -2.385 1.00 31.34 H new ATOM 0 HZ3 LYS A 3 -5.789 -10.074 -3.402 1.00 31.34 H new ATOM 61 N ILE A 4 -0.630 -7.699 1.681 1.00 61.15 N ATOM 62 CA ILE A 4 -0.009 -8.587 2.656 1.00 10.50 C ATOM 63 C ILE A 4 -0.380 -10.041 2.390 1.00 31.50 C ATOM 64 O ILE A 4 -1.416 -10.523 2.849 1.00 13.32 O ATOM 65 CB ILE A 4 -0.420 -8.218 4.094 1.00 60.22 C ATOM 66 CG1 ILE A 4 -0.109 -6.747 4.376 1.00 44.15 C ATOM 67 CG2 ILE A 4 0.291 -9.117 5.095 1.00 41.24 C ATOM 68 CD1 ILE A 4 1.368 -6.423 4.335 1.00 65.42 C ATOM 0 H ILE A 4 -1.345 -7.082 2.067 1.00 61.15 H new ATOM 0 HA ILE A 4 1.069 -8.466 2.552 1.00 10.50 H new ATOM 0 HB ILE A 4 -1.494 -8.369 4.199 1.00 60.22 H new ATOM 0 HG12 ILE A 4 -0.629 -6.128 3.645 1.00 44.15 H new ATOM 0 HG13 ILE A 4 -0.504 -6.482 5.357 1.00 44.15 H new ATOM 0 HG21 ILE A 4 -0.010 -8.844 6.107 1.00 41.24 H new ATOM 0 HG22 ILE A 4 0.023 -10.156 4.905 1.00 41.24 H new ATOM 0 HG23 ILE A 4 1.369 -8.995 4.992 1.00 41.24 H new ATOM 0 HD11 ILE A 4 1.514 -5.363 4.544 1.00 65.42 H new ATOM 0 HD12 ILE A 4 1.892 -7.016 5.085 1.00 65.42 H new ATOM 0 HD13 ILE A 4 1.764 -6.656 3.347 1.00 65.42 H new ATOM 80 N TYR A 5 0.473 -10.738 1.647 1.00 4.54 N ATOM 81 CA TYR A 5 0.235 -12.138 1.320 1.00 63.24 C ATOM 82 C TYR A 5 0.753 -13.052 2.426 1.00 63.33 C ATOM 83 O TYR A 5 1.616 -12.680 3.221 1.00 12.34 O ATOM 84 CB TYR A 5 0.907 -12.494 -0.008 1.00 32.32 C ATOM 85 CG TYR A 5 0.154 -11.995 -1.220 1.00 70.04 C ATOM 86 CD1 TYR A 5 -1.220 -12.172 -1.331 1.00 44.42 C ATOM 87 CD2 TYR A 5 0.817 -11.346 -2.255 1.00 14.32 C ATOM 88 CE1 TYR A 5 -1.911 -11.718 -2.438 1.00 11.34 C ATOM 89 CE2 TYR A 5 0.133 -10.887 -3.364 1.00 60.13 C ATOM 90 CZ TYR A 5 -1.231 -11.076 -3.451 1.00 45.03 C ATOM 91 OH TYR A 5 -1.916 -10.621 -4.554 1.00 60.14 O ATOM 0 H TYR A 5 1.336 -10.355 1.260 1.00 4.54 H new ATOM 0 HA TYR A 5 -0.841 -12.285 1.227 1.00 63.24 H new ATOM 0 HB2 TYR A 5 1.914 -12.077 -0.019 1.00 32.32 H new ATOM 0 HB3 TYR A 5 1.010 -13.577 -0.075 1.00 32.32 H new ATOM 0 HD1 TYR A 5 -1.757 -12.673 -0.539 1.00 44.42 H new ATOM 0 HD2 TYR A 5 1.885 -11.198 -2.191 1.00 14.32 H new ATOM 0 HE1 TYR A 5 -2.979 -11.865 -2.509 1.00 11.34 H new ATOM 0 HE2 TYR A 5 0.663 -10.383 -4.159 1.00 60.13 H new ATOM 0 HH TYR A 5 -1.308 -10.111 -5.129 1.00 60.14 H new ATOM 101 N PRO A 6 0.215 -14.280 2.478 1.00 42.22 N ATOM 102 CA PRO A 6 0.608 -15.274 3.481 1.00 72.44 C ATOM 103 C PRO A 6 2.022 -15.797 3.256 1.00 64.35 C ATOM 104 O PRO A 6 2.440 -16.017 2.118 1.00 10.52 O ATOM 105 CB PRO A 6 -0.415 -16.397 3.286 1.00 5.11 C ATOM 106 CG PRO A 6 -0.860 -16.262 1.871 1.00 70.51 C ATOM 107 CD PRO A 6 -0.817 -14.792 1.561 1.00 15.43 C ATOM 0 HA PRO A 6 0.617 -14.856 4.488 1.00 72.44 H new ATOM 0 HB2 PRO A 6 0.031 -17.375 3.469 1.00 5.11 H new ATOM 0 HB3 PRO A 6 -1.252 -16.294 3.976 1.00 5.11 H new ATOM 0 HG2 PRO A 6 -0.206 -16.821 1.202 1.00 70.51 H new ATOM 0 HG3 PRO A 6 -1.866 -16.659 1.739 1.00 70.51 H new ATOM 0 HD2 PRO A 6 -0.555 -14.609 0.519 1.00 15.43 H new ATOM 0 HD3 PRO A 6 -1.782 -14.316 1.736 1.00 15.43 H new ATOM 115 N TYR A 7 2.755 -15.996 4.346 1.00 41.34 N ATOM 116 CA TYR A 7 4.124 -16.491 4.267 1.00 61.34 C ATOM 117 C TYR A 7 4.146 -17.983 3.948 1.00 32.34 C ATOM 118 O TYR A 7 5.069 -18.478 3.302 1.00 25.33 O ATOM 119 CB TYR A 7 4.861 -16.228 5.581 1.00 33.10 C ATOM 120 CG TYR A 7 6.256 -16.808 5.620 1.00 64.42 C ATOM 121 CD1 TYR A 7 7.309 -16.182 4.964 1.00 52.42 C ATOM 122 CD2 TYR A 7 6.523 -17.984 6.311 1.00 14.31 C ATOM 123 CE1 TYR A 7 8.586 -16.708 4.996 1.00 75.33 C ATOM 124 CE2 TYR A 7 7.796 -18.517 6.350 1.00 44.13 C ATOM 125 CZ TYR A 7 8.824 -17.876 5.690 1.00 3.24 C ATOM 126 OH TYR A 7 10.094 -18.404 5.725 1.00 23.52 O ATOM 0 H TYR A 7 2.424 -15.822 5.295 1.00 41.34 H new ATOM 0 HA TYR A 7 4.630 -15.958 3.462 1.00 61.34 H new ATOM 0 HB2 TYR A 7 4.919 -15.152 5.746 1.00 33.10 H new ATOM 0 HB3 TYR A 7 4.280 -16.645 6.403 1.00 33.10 H new ATOM 0 HD1 TYR A 7 7.126 -15.268 4.419 1.00 52.42 H new ATOM 0 HD2 TYR A 7 5.720 -18.490 6.827 1.00 14.31 H new ATOM 0 HE1 TYR A 7 9.393 -16.208 4.481 1.00 75.33 H new ATOM 0 HE2 TYR A 7 7.986 -19.430 6.894 1.00 44.13 H new ATOM 0 HH TYR A 7 10.393 -18.598 4.812 1.00 23.52 H new ATOM 136 N ASP A 8 3.121 -18.694 4.406 1.00 2.14 N ATOM 137 CA ASP A 8 3.020 -20.129 4.170 1.00 31.41 C ATOM 138 C ASP A 8 2.792 -20.422 2.690 1.00 3.23 C ATOM 139 O ASP A 8 3.241 -21.445 2.173 1.00 11.14 O ATOM 140 CB ASP A 8 1.883 -20.726 5.001 1.00 12.33 C ATOM 141 CG ASP A 8 0.614 -19.899 4.924 1.00 4.04 C ATOM 142 OD1 ASP A 8 -0.159 -20.087 3.962 1.00 53.20 O ATOM 143 OD2 ASP A 8 0.395 -19.065 5.827 1.00 12.22 O ATOM 0 H ASP A 8 2.349 -18.300 4.943 1.00 2.14 H new ATOM 0 HA ASP A 8 3.961 -20.588 4.473 1.00 31.41 H new ATOM 0 HB2 ASP A 8 1.675 -21.738 4.653 1.00 12.33 H new ATOM 0 HB3 ASP A 8 2.199 -20.805 6.041 1.00 12.33 H new ATOM 148 N SER A 9 2.092 -19.517 2.014 1.00 13.24 N ATOM 149 CA SER A 9 1.800 -19.680 0.595 1.00 41.10 C ATOM 150 C SER A 9 2.843 -18.966 -0.259 1.00 50.34 C ATOM 151 O SER A 9 3.008 -19.269 -1.442 1.00 34.11 O ATOM 152 CB SER A 9 0.405 -19.140 0.274 1.00 70.40 C ATOM 153 OG SER A 9 -0.411 -19.116 1.432 1.00 34.30 O ATOM 0 H SER A 9 1.716 -18.663 2.426 1.00 13.24 H new ATOM 0 HA SER A 9 1.832 -20.744 0.363 1.00 41.10 H new ATOM 0 HB2 SER A 9 0.487 -18.134 -0.138 1.00 70.40 H new ATOM 0 HB3 SER A 9 -0.062 -19.761 -0.491 1.00 70.40 H new ATOM 0 HG SER A 9 -1.336 -18.920 1.176 1.00 34.30 H new ATOM 159 N LEU A 10 3.545 -18.015 0.347 1.00 21.23 N ATOM 160 CA LEU A 10 4.573 -17.256 -0.356 1.00 61.13 C ATOM 161 C LEU A 10 5.871 -18.052 -0.447 1.00 4.32 C ATOM 162 O LEU A 10 6.566 -18.011 -1.462 1.00 44.45 O ATOM 163 CB LEU A 10 4.826 -15.924 0.352 1.00 22.21 C ATOM 164 CG LEU A 10 4.003 -14.734 -0.142 1.00 33.23 C ATOM 165 CD1 LEU A 10 4.316 -13.492 0.677 1.00 44.51 C ATOM 166 CD2 LEU A 10 4.264 -14.482 -1.619 1.00 52.55 C ATOM 0 H LEU A 10 3.421 -17.751 1.324 1.00 21.23 H new ATOM 0 HA LEU A 10 4.217 -17.060 -1.367 1.00 61.13 H new ATOM 0 HB2 LEU A 10 4.631 -16.058 1.416 1.00 22.21 H new ATOM 0 HB3 LEU A 10 5.883 -15.676 0.250 1.00 22.21 H new ATOM 0 HG LEU A 10 2.946 -14.970 -0.016 1.00 33.23 H new ATOM 0 HD11 LEU A 10 3.721 -12.655 0.311 1.00 44.51 H new ATOM 0 HD12 LEU A 10 4.077 -13.677 1.724 1.00 44.51 H new ATOM 0 HD13 LEU A 10 5.375 -13.252 0.584 1.00 44.51 H new ATOM 0 HD21 LEU A 10 3.670 -13.632 -1.954 1.00 52.55 H new ATOM 0 HD22 LEU A 10 5.322 -14.268 -1.770 1.00 52.55 H new ATOM 0 HD23 LEU A 10 3.987 -15.366 -2.193 1.00 52.55 H new ATOM 178 N ILE A 11 6.191 -18.776 0.620 1.00 32.22 N ATOM 179 CA ILE A 11 7.404 -19.584 0.659 1.00 15.14 C ATOM 180 C ILE A 11 7.463 -20.544 -0.524 1.00 31.34 C ATOM 181 O ILE A 11 6.539 -21.325 -0.750 1.00 73.40 O ATOM 182 CB ILE A 11 7.500 -20.392 1.967 1.00 10.42 C ATOM 183 CG1 ILE A 11 6.207 -21.175 2.205 1.00 2.31 C ATOM 184 CG2 ILE A 11 7.789 -19.467 3.140 1.00 22.24 C ATOM 185 CD1 ILE A 11 6.219 -21.986 3.482 1.00 74.25 C ATOM 0 H ILE A 11 5.627 -18.820 1.469 1.00 32.22 H new ATOM 0 HA ILE A 11 8.245 -18.893 0.606 1.00 15.14 H new ATOM 0 HB ILE A 11 8.322 -21.103 1.878 1.00 10.42 H new ATOM 0 HG12 ILE A 11 5.370 -20.478 2.235 1.00 2.31 H new ATOM 0 HG13 ILE A 11 6.036 -21.843 1.361 1.00 2.31 H new ATOM 0 HG21 ILE A 11 7.854 -20.052 4.057 1.00 22.24 H new ATOM 0 HG22 ILE A 11 8.734 -18.950 2.972 1.00 22.24 H new ATOM 0 HG23 ILE A 11 6.987 -18.735 3.233 1.00 22.24 H new ATOM 0 HD11 ILE A 11 5.272 -22.515 3.586 1.00 74.25 H new ATOM 0 HD12 ILE A 11 7.035 -22.707 3.447 1.00 74.25 H new ATOM 0 HD13 ILE A 11 6.359 -21.321 4.334 1.00 74.25 H new ATOM 197 N VAL A 12 8.558 -20.482 -1.275 1.00 54.01 N ATOM 198 CA VAL A 12 8.740 -21.348 -2.434 1.00 31.13 C ATOM 199 C VAL A 12 8.693 -22.818 -2.034 1.00 35.44 C ATOM 200 O VAL A 12 8.333 -23.681 -2.836 1.00 23.02 O ATOM 201 CB VAL A 12 10.077 -21.063 -3.143 1.00 22.13 C ATOM 202 CG1 VAL A 12 10.254 -19.569 -3.369 1.00 71.45 C ATOM 203 CG2 VAL A 12 11.237 -21.629 -2.338 1.00 65.52 C ATOM 0 H VAL A 12 9.332 -19.841 -1.102 1.00 54.01 H new ATOM 0 HA VAL A 12 7.921 -21.135 -3.120 1.00 31.13 H new ATOM 0 HB VAL A 12 10.065 -21.554 -4.116 1.00 22.13 H new ATOM 0 HG11 VAL A 12 11.204 -19.387 -3.871 1.00 71.45 H new ATOM 0 HG12 VAL A 12 9.439 -19.196 -3.989 1.00 71.45 H new ATOM 0 HG13 VAL A 12 10.246 -19.052 -2.409 1.00 71.45 H new ATOM 0 HG21 VAL A 12 12.174 -21.419 -2.853 1.00 65.52 H new ATOM 0 HG22 VAL A 12 11.254 -21.167 -1.351 1.00 65.52 H new ATOM 0 HG23 VAL A 12 11.115 -22.707 -2.232 1.00 65.52 H new ATOM 213 N THR A 13 9.057 -23.099 -0.786 1.00 43.23 N ATOM 214 CA THR A 13 9.057 -24.465 -0.279 1.00 4.02 C ATOM 215 C THR A 13 7.681 -25.105 -0.422 1.00 1.43 C ATOM 216 O THR A 13 7.564 -26.321 -0.567 1.00 14.52 O ATOM 217 CB THR A 13 9.483 -24.515 1.201 1.00 52.42 C ATOM 218 OG1 THR A 13 9.458 -25.866 1.673 1.00 73.32 O ATOM 219 CG2 THR A 13 8.564 -23.656 2.057 1.00 3.01 C ATOM 0 H THR A 13 9.356 -22.398 -0.108 1.00 43.23 H new ATOM 0 HA THR A 13 9.778 -25.024 -0.876 1.00 4.02 H new ATOM 0 HB THR A 13 10.497 -24.123 1.278 1.00 52.42 H new ATOM 0 HG1 THR A 13 9.731 -25.889 2.614 1.00 73.32 H new ATOM 0 HG21 THR A 13 8.884 -23.707 3.098 1.00 3.01 H new ATOM 0 HG22 THR A 13 8.608 -22.622 1.714 1.00 3.01 H new ATOM 0 HG23 THR A 13 7.541 -24.023 1.974 1.00 3.01 H new ATOM 227 N ASN A 14 6.642 -24.277 -0.380 1.00 71.13 N ATOM 228 CA ASN A 14 5.272 -24.763 -0.506 1.00 25.04 C ATOM 229 C ASN A 14 4.738 -24.525 -1.914 1.00 74.15 C ATOM 230 O ASN A 14 3.550 -24.713 -2.178 1.00 71.14 O ATOM 231 CB ASN A 14 4.369 -24.073 0.518 1.00 32.23 C ATOM 232 CG ASN A 14 3.532 -25.060 1.309 1.00 23.52 C ATOM 233 OD1 ASN A 14 2.229 -25.068 1.055 1.00 62.15 O flip ATOM 234 ND2 ASN A 14 4.052 -25.807 2.139 1.00 70.41 N flip ATOM 0 H ASN A 14 6.722 -23.267 -0.260 1.00 71.13 H new ATOM 0 HA ASN A 14 5.274 -25.836 -0.315 1.00 25.04 H new ATOM 0 HB2 ASN A 14 4.982 -23.489 1.204 1.00 32.23 H new ATOM 0 HB3 ASN A 14 3.711 -23.372 0.004 1.00 32.23 H new ATOM 0 HD21 ASN A 14 5.058 -25.767 2.302 1.00 70.41 H new ATOM 0 HD22 ASN A 14 3.476 -26.466 2.663 1.00 70.41 H new ATOM 241 N ARG A 15 5.623 -24.111 -2.815 1.00 74.34 N ATOM 242 CA ARG A 15 5.240 -23.847 -4.197 1.00 73.12 C ATOM 243 C ARG A 15 4.630 -25.090 -4.840 1.00 4.15 C ATOM 244 O ARG A 15 3.889 -24.994 -5.818 1.00 34.52 O ATOM 245 CB ARG A 15 6.453 -23.385 -5.006 1.00 24.13 C ATOM 246 CG ARG A 15 7.388 -24.516 -5.401 1.00 24.30 C ATOM 247 CD ARG A 15 8.796 -24.007 -5.670 1.00 20.52 C ATOM 248 NE ARG A 15 9.406 -24.667 -6.821 1.00 60.30 N ATOM 249 CZ ARG A 15 10.660 -24.460 -7.208 1.00 31.24 C ATOM 250 NH1 ARG A 15 11.433 -23.616 -6.538 1.00 72.30 N ATOM 251 NH2 ARG A 15 11.143 -25.098 -8.266 1.00 22.52 N ATOM 0 H ARG A 15 6.610 -23.951 -2.613 1.00 74.34 H new ATOM 0 HA ARG A 15 4.491 -23.055 -4.194 1.00 73.12 H new ATOM 0 HB2 ARG A 15 6.107 -22.880 -5.908 1.00 24.13 H new ATOM 0 HB3 ARG A 15 7.010 -22.651 -4.423 1.00 24.13 H new ATOM 0 HG2 ARG A 15 7.415 -25.261 -4.606 1.00 24.30 H new ATOM 0 HG3 ARG A 15 7.003 -25.013 -6.291 1.00 24.30 H new ATOM 0 HD2 ARG A 15 8.766 -22.931 -5.843 1.00 20.52 H new ATOM 0 HD3 ARG A 15 9.415 -24.171 -4.788 1.00 20.52 H new ATOM 0 HE ARG A 15 8.838 -25.323 -7.357 1.00 60.30 H new ATOM 0 HH11 ARG A 15 11.065 -23.124 -5.724 1.00 72.30 H new ATOM 0 HH12 ARG A 15 12.395 -23.459 -6.837 1.00 72.30 H new ATOM 0 HH21 ARG A 15 10.551 -25.748 -8.783 1.00 22.52 H new ATOM 0 HH22 ARG A 15 12.106 -24.938 -8.562 1.00 22.52 H new ATOM 265 N ILE A 16 4.949 -26.254 -4.283 1.00 40.33 N ATOM 266 CA ILE A 16 4.433 -27.514 -4.802 1.00 34.44 C ATOM 267 C ILE A 16 2.976 -27.719 -4.400 1.00 11.45 C ATOM 268 O ILE A 16 2.228 -28.425 -5.076 1.00 11.04 O ATOM 269 CB ILE A 16 5.264 -28.711 -4.302 1.00 52.04 C ATOM 270 CG1 ILE A 16 4.675 -30.023 -4.826 1.00 1.31 C ATOM 271 CG2 ILE A 16 5.321 -28.719 -2.782 1.00 74.01 C ATOM 272 CD1 ILE A 16 4.592 -30.088 -6.335 1.00 13.12 C ATOM 0 H ILE A 16 5.562 -26.350 -3.473 1.00 40.33 H new ATOM 0 HA ILE A 16 4.504 -27.460 -5.888 1.00 34.44 H new ATOM 0 HB ILE A 16 6.281 -28.613 -4.683 1.00 52.04 H new ATOM 0 HG12 ILE A 16 5.283 -30.854 -4.468 1.00 1.31 H new ATOM 0 HG13 ILE A 16 3.677 -30.156 -4.409 1.00 1.31 H new ATOM 0 HG21 ILE A 16 5.912 -29.571 -2.445 1.00 74.01 H new ATOM 0 HG22 ILE A 16 5.782 -27.796 -2.430 1.00 74.01 H new ATOM 0 HG23 ILE A 16 4.311 -28.796 -2.380 1.00 74.01 H new ATOM 0 HD11 ILE A 16 4.165 -31.045 -6.635 1.00 13.12 H new ATOM 0 HD12 ILE A 16 3.960 -29.279 -6.700 1.00 13.12 H new ATOM 0 HD13 ILE A 16 5.591 -29.987 -6.759 1.00 13.12 H new ATOM 284 N ARG A 17 2.579 -27.094 -3.295 1.00 44.05 N ATOM 285 CA ARG A 17 1.212 -27.206 -2.803 1.00 73.54 C ATOM 286 C ARG A 17 0.358 -26.042 -3.298 1.00 64.21 C ATOM 287 O ARG A 17 -0.780 -26.231 -3.727 1.00 30.32 O ATOM 288 CB ARG A 17 1.199 -27.248 -1.274 1.00 61.32 C ATOM 289 CG ARG A 17 2.283 -28.133 -0.680 1.00 72.22 C ATOM 290 CD ARG A 17 2.233 -29.539 -1.258 1.00 40.10 C ATOM 291 NE ARG A 17 0.902 -30.129 -1.148 1.00 54.03 N ATOM 292 CZ ARG A 17 0.395 -30.593 -0.011 1.00 71.25 C ATOM 293 NH1 ARG A 17 1.105 -30.536 1.107 1.00 53.41 N ATOM 294 NH2 ARG A 17 -0.825 -31.116 0.008 1.00 5.12 N ATOM 0 H ARG A 17 3.186 -26.505 -2.724 1.00 44.05 H new ATOM 0 HA ARG A 17 0.789 -28.134 -3.189 1.00 73.54 H new ATOM 0 HB2 ARG A 17 1.318 -26.235 -0.890 1.00 61.32 H new ATOM 0 HB3 ARG A 17 0.226 -27.604 -0.937 1.00 61.32 H new ATOM 0 HG2 ARG A 17 3.261 -27.693 -0.875 1.00 72.22 H new ATOM 0 HG3 ARG A 17 2.164 -28.179 0.403 1.00 72.22 H new ATOM 0 HD2 ARG A 17 2.532 -29.511 -2.306 1.00 40.10 H new ATOM 0 HD3 ARG A 17 2.953 -30.170 -0.738 1.00 40.10 H new ATOM 0 HE ARG A 17 0.330 -30.188 -1.990 1.00 54.03 H new ATOM 0 HH11 ARG A 17 2.043 -30.135 1.096 1.00 53.41 H new ATOM 0 HH12 ARG A 17 0.713 -30.893 1.979 1.00 53.41 H new ATOM 0 HH21 ARG A 17 -1.374 -31.162 -0.851 1.00 5.12 H new ATOM 0 HH22 ARG A 17 -1.214 -31.472 0.881 1.00 5.12 H new ATOM 308 N VAL A 18 0.917 -24.837 -3.235 1.00 35.41 N ATOM 309 CA VAL A 18 0.208 -23.642 -3.677 1.00 34.43 C ATOM 310 C VAL A 18 1.159 -22.654 -4.342 1.00 14.31 C ATOM 311 O VAL A 18 2.166 -22.254 -3.757 1.00 71.54 O ATOM 312 CB VAL A 18 -0.502 -22.944 -2.501 1.00 42.14 C ATOM 313 CG1 VAL A 18 0.497 -22.586 -1.411 1.00 52.14 C ATOM 314 CG2 VAL A 18 -1.241 -21.706 -2.986 1.00 35.12 C ATOM 0 H VAL A 18 1.858 -24.663 -2.882 1.00 35.41 H new ATOM 0 HA VAL A 18 -0.539 -23.966 -4.402 1.00 34.43 H new ATOM 0 HB VAL A 18 -1.233 -23.634 -2.078 1.00 42.14 H new ATOM 0 HG11 VAL A 18 -0.022 -22.094 -0.589 1.00 52.14 H new ATOM 0 HG12 VAL A 18 0.977 -23.494 -1.045 1.00 52.14 H new ATOM 0 HG13 VAL A 18 1.253 -21.914 -1.817 1.00 52.14 H new ATOM 0 HG21 VAL A 18 -1.737 -21.225 -2.143 1.00 35.12 H new ATOM 0 HG22 VAL A 18 -0.531 -21.011 -3.434 1.00 35.12 H new ATOM 0 HG23 VAL A 18 -1.985 -21.994 -3.729 1.00 35.12 H new ATOM 324 N LYS A 19 0.832 -22.261 -5.569 1.00 31.24 N ATOM 325 CA LYS A 19 1.655 -21.317 -6.315 1.00 21.11 C ATOM 326 C LYS A 19 1.276 -19.879 -5.976 1.00 45.13 C ATOM 327 O LYS A 19 0.170 -19.612 -5.505 1.00 4.05 O ATOM 328 CB LYS A 19 1.504 -21.555 -7.819 1.00 53.11 C ATOM 329 CG LYS A 19 0.063 -21.523 -8.298 1.00 14.01 C ATOM 330 CD LYS A 19 -0.463 -22.921 -8.577 1.00 14.12 C ATOM 331 CE LYS A 19 -1.802 -23.159 -7.895 1.00 21.23 C ATOM 332 NZ LYS A 19 -2.913 -22.455 -8.592 1.00 51.04 N ATOM 0 H LYS A 19 0.002 -22.582 -6.068 1.00 31.24 H new ATOM 0 HA LYS A 19 2.695 -21.476 -6.031 1.00 21.11 H new ATOM 0 HB2 LYS A 19 2.074 -20.798 -8.357 1.00 53.11 H new ATOM 0 HB3 LYS A 19 1.941 -22.521 -8.071 1.00 53.11 H new ATOM 0 HG2 LYS A 19 -0.561 -21.042 -7.545 1.00 14.01 H new ATOM 0 HG3 LYS A 19 -0.007 -20.919 -9.203 1.00 14.01 H new ATOM 0 HD2 LYS A 19 -0.571 -23.062 -9.652 1.00 14.12 H new ATOM 0 HD3 LYS A 19 0.260 -23.659 -8.229 1.00 14.12 H new ATOM 0 HE2 LYS A 19 -2.010 -24.229 -7.868 1.00 21.23 H new ATOM 0 HE3 LYS A 19 -1.748 -22.818 -6.861 1.00 21.23 H new ATOM 0 HZ1 LYS A 19 -3.808 -22.642 -8.096 1.00 51.04 H new ATOM 0 HZ2 LYS A 19 -2.727 -21.432 -8.596 1.00 51.04 H new ATOM 0 HZ3 LYS A 19 -2.981 -22.798 -9.571 1.00 51.04 H new ATOM 346 N LEU A 20 2.200 -18.956 -6.221 1.00 12.31 N ATOM 347 CA LEU A 20 1.962 -17.543 -5.943 1.00 60.42 C ATOM 348 C LEU A 20 0.928 -16.966 -6.904 1.00 71.04 C ATOM 349 O LEU A 20 0.767 -17.430 -8.034 1.00 13.35 O ATOM 350 CB LEU A 20 3.269 -16.756 -6.049 1.00 10.52 C ATOM 351 CG LEU A 20 4.497 -17.404 -5.410 1.00 23.42 C ATOM 352 CD1 LEU A 20 5.749 -16.599 -5.721 1.00 1.21 C ATOM 353 CD2 LEU A 20 4.308 -17.539 -3.906 1.00 34.30 C ATOM 0 H LEU A 20 3.120 -19.160 -6.611 1.00 12.31 H new ATOM 0 HA LEU A 20 1.575 -17.457 -4.928 1.00 60.42 H new ATOM 0 HB2 LEU A 20 3.482 -16.584 -7.104 1.00 10.52 H new ATOM 0 HB3 LEU A 20 3.119 -15.778 -5.591 1.00 10.52 H new ATOM 0 HG LEU A 20 4.617 -18.402 -5.832 1.00 23.42 H new ATOM 0 HD11 LEU A 20 6.613 -17.076 -5.258 1.00 1.21 H new ATOM 0 HD12 LEU A 20 5.894 -16.555 -6.800 1.00 1.21 H new ATOM 0 HD13 LEU A 20 5.639 -15.588 -5.328 1.00 1.21 H new ATOM 0 HD21 LEU A 20 5.192 -18.002 -3.468 1.00 34.30 H new ATOM 0 HD22 LEU A 20 4.161 -16.552 -3.468 1.00 34.30 H new ATOM 0 HD23 LEU A 20 3.435 -18.160 -3.703 1.00 34.30 H new ATOM 365 N PRO A 21 0.211 -15.928 -6.449 1.00 32.11 N ATOM 366 CA PRO A 21 -0.818 -15.263 -7.254 1.00 12.14 C ATOM 367 C PRO A 21 -0.225 -14.470 -8.413 1.00 61.22 C ATOM 368 O PRO A 21 0.966 -14.577 -8.707 1.00 70.12 O ATOM 369 CB PRO A 21 -1.497 -14.322 -6.255 1.00 23.34 C ATOM 370 CG PRO A 21 -0.461 -14.061 -5.216 1.00 63.15 C ATOM 371 CD PRO A 21 0.350 -15.324 -5.113 1.00 52.54 C ATOM 0 HA PRO A 21 -1.498 -15.978 -7.717 1.00 12.14 H new ATOM 0 HB2 PRO A 21 -1.817 -13.398 -6.736 1.00 23.34 H new ATOM 0 HB3 PRO A 21 -2.386 -14.780 -5.821 1.00 23.34 H new ATOM 0 HG2 PRO A 21 0.167 -13.215 -5.495 1.00 63.15 H new ATOM 0 HG3 PRO A 21 -0.921 -13.814 -4.259 1.00 63.15 H new ATOM 0 HD2 PRO A 21 1.392 -15.114 -4.873 1.00 52.54 H new ATOM 0 HD3 PRO A 21 -0.030 -15.983 -4.332 1.00 52.54 H new ATOM 379 N LYS A 22 -1.062 -13.674 -9.069 1.00 72.03 N ATOM 380 CA LYS A 22 -0.621 -12.861 -10.196 1.00 42.03 C ATOM 381 C LYS A 22 -0.236 -11.458 -9.738 1.00 14.04 C ATOM 382 O LYS A 22 0.690 -10.851 -10.275 1.00 24.23 O ATOM 383 CB LYS A 22 -1.723 -12.779 -11.255 1.00 1.21 C ATOM 384 CG LYS A 22 -3.077 -12.380 -10.694 1.00 2.02 C ATOM 385 CD LYS A 22 -3.746 -11.319 -11.552 1.00 63.40 C ATOM 386 CE LYS A 22 -2.976 -10.008 -11.518 1.00 63.14 C ATOM 387 NZ LYS A 22 -2.758 -9.457 -12.885 1.00 32.42 N ATOM 0 H LYS A 22 -2.051 -13.574 -8.839 1.00 72.03 H new ATOM 0 HA LYS A 22 0.258 -13.336 -10.631 1.00 42.03 H new ATOM 0 HB2 LYS A 22 -1.429 -12.059 -12.018 1.00 1.21 H new ATOM 0 HB3 LYS A 22 -1.814 -13.747 -11.748 1.00 1.21 H new ATOM 0 HG2 LYS A 22 -3.720 -13.258 -10.633 1.00 2.02 H new ATOM 0 HG3 LYS A 22 -2.954 -12.004 -9.678 1.00 2.02 H new ATOM 0 HD2 LYS A 22 -3.818 -11.673 -12.580 1.00 63.40 H new ATOM 0 HD3 LYS A 22 -4.764 -11.153 -11.200 1.00 63.40 H new ATOM 0 HE2 LYS A 22 -3.522 -9.281 -10.916 1.00 63.14 H new ATOM 0 HE3 LYS A 22 -2.013 -10.165 -11.032 1.00 63.14 H new ATOM 0 HZ1 LYS A 22 -2.230 -8.563 -12.819 1.00 32.42 H new ATOM 0 HZ2 LYS A 22 -2.215 -10.139 -13.452 1.00 32.42 H new ATOM 0 HZ3 LYS A 22 -3.677 -9.283 -13.340 1.00 32.42 H new ATOM 401 N ASP A 23 -0.953 -10.949 -8.741 1.00 70.24 N ATOM 402 CA ASP A 23 -0.685 -9.618 -8.209 1.00 20.44 C ATOM 403 C ASP A 23 0.402 -9.670 -7.140 1.00 2.13 C ATOM 404 O ASP A 23 0.230 -9.147 -6.039 1.00 2.43 O ATOM 405 CB ASP A 23 -1.962 -9.012 -7.626 1.00 35.34 C ATOM 406 CG ASP A 23 -2.844 -8.387 -8.689 1.00 2.53 C ATOM 407 OD1 ASP A 23 -2.295 -7.785 -9.635 1.00 41.20 O ATOM 408 OD2 ASP A 23 -4.083 -8.498 -8.574 1.00 4.32 O ATOM 0 H ASP A 23 -1.724 -11.438 -8.286 1.00 70.24 H new ATOM 0 HA ASP A 23 -0.335 -8.989 -9.028 1.00 20.44 H new ATOM 0 HB2 ASP A 23 -2.522 -9.787 -7.103 1.00 35.34 H new ATOM 0 HB3 ASP A 23 -1.697 -8.256 -6.887 1.00 35.34 H new ATOM 413 N VAL A 24 1.522 -10.305 -7.471 1.00 73.15 N ATOM 414 CA VAL A 24 2.637 -10.425 -6.540 1.00 62.33 C ATOM 415 C VAL A 24 3.973 -10.387 -7.275 1.00 33.12 C ATOM 416 O VAL A 24 4.137 -11.018 -8.319 1.00 53.12 O ATOM 417 CB VAL A 24 2.550 -11.729 -5.725 1.00 14.24 C ATOM 418 CG1 VAL A 24 2.810 -12.934 -6.615 1.00 31.52 C ATOM 419 CG2 VAL A 24 3.527 -11.695 -4.560 1.00 4.32 C ATOM 0 H VAL A 24 1.681 -10.744 -8.378 1.00 73.15 H new ATOM 0 HA VAL A 24 2.574 -9.575 -5.860 1.00 62.33 H new ATOM 0 HB VAL A 24 1.542 -11.818 -5.321 1.00 14.24 H new ATOM 0 HG11 VAL A 24 2.744 -13.846 -6.021 1.00 31.52 H new ATOM 0 HG12 VAL A 24 2.067 -12.965 -7.412 1.00 31.52 H new ATOM 0 HG13 VAL A 24 3.806 -12.856 -7.051 1.00 31.52 H new ATOM 0 HG21 VAL A 24 3.452 -12.624 -3.995 1.00 4.32 H new ATOM 0 HG22 VAL A 24 4.542 -11.582 -4.940 1.00 4.32 H new ATOM 0 HG23 VAL A 24 3.288 -10.854 -3.909 1.00 4.32 H new ATOM 429 N ASP A 25 4.924 -9.644 -6.722 1.00 5.53 N ATOM 430 CA ASP A 25 6.248 -9.524 -7.323 1.00 54.22 C ATOM 431 C ASP A 25 7.216 -10.532 -6.712 1.00 14.00 C ATOM 432 O ASP A 25 7.061 -10.936 -5.559 1.00 74.15 O ATOM 433 CB ASP A 25 6.788 -8.104 -7.141 1.00 75.51 C ATOM 434 CG ASP A 25 6.782 -7.665 -5.690 1.00 51.42 C ATOM 435 OD1 ASP A 25 7.227 -8.453 -4.829 1.00 53.32 O ATOM 436 OD2 ASP A 25 6.333 -6.532 -5.416 1.00 25.12 O ATOM 0 H ASP A 25 4.804 -9.115 -5.858 1.00 5.53 H new ATOM 0 HA ASP A 25 6.156 -9.736 -8.388 1.00 54.22 H new ATOM 0 HB2 ASP A 25 7.805 -8.053 -7.529 1.00 75.51 H new ATOM 0 HB3 ASP A 25 6.187 -7.411 -7.730 1.00 75.51 H new ATOM 441 N ARG A 26 8.213 -10.935 -7.492 1.00 43.31 N ATOM 442 CA ARG A 26 9.205 -11.897 -7.028 1.00 61.44 C ATOM 443 C ARG A 26 10.514 -11.200 -6.669 1.00 15.43 C ATOM 444 O ARG A 26 11.343 -11.747 -5.942 1.00 21.23 O ATOM 445 CB ARG A 26 9.458 -12.958 -8.101 1.00 44.25 C ATOM 446 CG ARG A 26 8.192 -13.637 -8.598 1.00 4.14 C ATOM 447 CD ARG A 26 8.088 -15.064 -8.084 1.00 60.40 C ATOM 448 NE ARG A 26 9.083 -15.941 -8.697 1.00 54.31 N ATOM 449 CZ ARG A 26 8.985 -17.265 -8.713 1.00 74.32 C ATOM 450 NH1 ARG A 26 7.942 -17.863 -8.153 1.00 61.23 N ATOM 451 NH2 ARG A 26 9.931 -17.995 -9.291 1.00 13.22 N ATOM 0 H ARG A 26 8.355 -10.610 -8.448 1.00 43.31 H new ATOM 0 HA ARG A 26 8.814 -12.380 -6.133 1.00 61.44 H new ATOM 0 HB2 ARG A 26 9.967 -12.494 -8.946 1.00 44.25 H new ATOM 0 HB3 ARG A 26 10.132 -13.715 -7.700 1.00 44.25 H new ATOM 0 HG2 ARG A 26 7.321 -13.068 -8.274 1.00 4.14 H new ATOM 0 HG3 ARG A 26 8.183 -13.640 -9.688 1.00 4.14 H new ATOM 0 HD2 ARG A 26 8.217 -15.070 -7.002 1.00 60.40 H new ATOM 0 HD3 ARG A 26 7.089 -15.451 -8.288 1.00 60.40 H new ATOM 0 HE ARG A 26 9.898 -15.513 -9.137 1.00 54.31 H new ATOM 0 HH11 ARG A 26 7.213 -17.306 -7.709 1.00 61.23 H new ATOM 0 HH12 ARG A 26 7.869 -18.880 -8.167 1.00 61.23 H new ATOM 0 HH21 ARG A 26 10.734 -17.539 -9.723 1.00 13.22 H new ATOM 0 HH22 ARG A 26 9.855 -19.012 -9.303 1.00 13.22 H new ATOM 465 N THR A 27 10.692 -9.987 -7.183 1.00 45.23 N ATOM 466 CA THR A 27 11.900 -9.215 -6.918 1.00 52.34 C ATOM 467 C THR A 27 11.868 -8.607 -5.521 1.00 22.03 C ATOM 468 O THR A 27 12.860 -8.651 -4.792 1.00 54.41 O ATOM 469 CB THR A 27 12.084 -8.087 -7.952 1.00 33.41 C ATOM 470 OG1 THR A 27 12.189 -8.642 -9.268 1.00 4.31 O ATOM 471 CG2 THR A 27 13.326 -7.266 -7.641 1.00 54.40 C ATOM 0 H THR A 27 10.015 -9.518 -7.785 1.00 45.23 H new ATOM 0 HA THR A 27 12.739 -9.906 -6.992 1.00 52.34 H new ATOM 0 HB THR A 27 11.214 -7.432 -7.903 1.00 33.41 H new ATOM 0 HG1 THR A 27 12.304 -7.919 -9.920 1.00 4.31 H new ATOM 0 HG21 THR A 27 13.435 -6.476 -8.384 1.00 54.40 H new ATOM 0 HG22 THR A 27 13.230 -6.822 -6.650 1.00 54.40 H new ATOM 0 HG23 THR A 27 14.204 -7.911 -7.666 1.00 54.40 H new ATOM 479 N ARG A 28 10.723 -8.041 -5.152 1.00 64.32 N ATOM 480 CA ARG A 28 10.563 -7.424 -3.841 1.00 64.30 C ATOM 481 C ARG A 28 9.377 -8.029 -3.097 1.00 34.03 C ATOM 482 O ARG A 28 8.428 -7.327 -2.743 1.00 44.32 O ATOM 483 CB ARG A 28 10.373 -5.913 -3.985 1.00 33.22 C ATOM 484 CG ARG A 28 11.392 -5.255 -4.901 1.00 34.22 C ATOM 485 CD ARG A 28 12.793 -5.319 -4.313 1.00 34.32 C ATOM 486 NE ARG A 28 12.965 -4.382 -3.206 1.00 43.14 N ATOM 487 CZ ARG A 28 13.062 -3.067 -3.366 1.00 12.43 C ATOM 488 NH1 ARG A 28 13.002 -2.536 -4.580 1.00 23.55 N ATOM 489 NH2 ARG A 28 13.218 -2.279 -2.309 1.00 54.25 N ATOM 0 H ARG A 28 9.893 -7.997 -5.743 1.00 64.32 H new ATOM 0 HA ARG A 28 11.467 -7.616 -3.264 1.00 64.30 H new ATOM 0 HB2 ARG A 28 9.372 -5.716 -4.369 1.00 33.22 H new ATOM 0 HB3 ARG A 28 10.433 -5.452 -2.999 1.00 33.22 H new ATOM 0 HG2 ARG A 28 11.381 -5.748 -5.873 1.00 34.22 H new ATOM 0 HG3 ARG A 28 11.114 -4.215 -5.069 1.00 34.22 H new ATOM 0 HD2 ARG A 28 12.994 -6.332 -3.965 1.00 34.32 H new ATOM 0 HD3 ARG A 28 13.523 -5.098 -5.091 1.00 34.32 H new ATOM 0 HE ARG A 28 13.013 -4.758 -2.259 1.00 43.14 H new ATOM 0 HH11 ARG A 28 12.881 -3.138 -5.395 1.00 23.55 H new ATOM 0 HH12 ARG A 28 13.077 -1.526 -4.699 1.00 23.55 H new ATOM 0 HH21 ARG A 28 13.263 -2.683 -1.374 1.00 54.25 H new ATOM 0 HH22 ARG A 28 13.292 -1.269 -2.432 1.00 54.25 H new ATOM 503 N LEU A 29 9.435 -9.335 -2.862 1.00 64.34 N ATOM 504 CA LEU A 29 8.365 -10.036 -2.160 1.00 43.53 C ATOM 505 C LEU A 29 8.317 -9.624 -0.692 1.00 73.04 C ATOM 506 O LEU A 29 7.339 -9.893 0.005 1.00 64.20 O ATOM 507 CB LEU A 29 8.561 -11.549 -2.271 1.00 54.45 C ATOM 508 CG LEU A 29 7.368 -12.412 -1.857 1.00 3.52 C ATOM 509 CD1 LEU A 29 6.163 -12.113 -2.734 1.00 74.13 C ATOM 510 CD2 LEU A 29 7.729 -13.888 -1.927 1.00 33.32 C ATOM 0 H LEU A 29 10.212 -9.931 -3.147 1.00 64.34 H new ATOM 0 HA LEU A 29 7.418 -9.764 -2.626 1.00 43.53 H new ATOM 0 HB2 LEU A 29 8.816 -11.788 -3.304 1.00 54.45 H new ATOM 0 HB3 LEU A 29 9.418 -11.830 -1.658 1.00 54.45 H new ATOM 0 HG LEU A 29 7.109 -12.170 -0.826 1.00 3.52 H new ATOM 0 HD11 LEU A 29 5.324 -12.736 -2.425 1.00 74.13 H new ATOM 0 HD12 LEU A 29 5.891 -11.062 -2.633 1.00 74.13 H new ATOM 0 HD13 LEU A 29 6.409 -12.326 -3.774 1.00 74.13 H new ATOM 0 HD21 LEU A 29 6.869 -14.487 -1.629 1.00 33.32 H new ATOM 0 HD22 LEU A 29 8.015 -14.145 -2.947 1.00 33.32 H new ATOM 0 HD23 LEU A 29 8.563 -14.091 -1.255 1.00 33.32 H new ATOM 522 N GLU A 30 9.377 -8.968 -0.231 1.00 64.54 N ATOM 523 CA GLU A 30 9.454 -8.519 1.154 1.00 40.34 C ATOM 524 C GLU A 30 8.306 -7.569 1.481 1.00 14.25 C ATOM 525 O GLU A 30 7.747 -7.609 2.578 1.00 53.24 O ATOM 526 CB GLU A 30 10.793 -7.827 1.415 1.00 4.40 C ATOM 527 CG GLU A 30 10.894 -6.442 0.798 1.00 54.22 C ATOM 528 CD GLU A 30 12.224 -5.772 1.080 1.00 24.13 C ATOM 529 OE1 GLU A 30 12.405 -5.263 2.206 1.00 35.15 O ATOM 530 OE2 GLU A 30 13.085 -5.757 0.176 1.00 43.31 O ATOM 0 H GLU A 30 10.194 -8.736 -0.796 1.00 64.54 H new ATOM 0 HA GLU A 30 9.374 -9.394 1.799 1.00 40.34 H new ATOM 0 HB2 GLU A 30 10.948 -7.748 2.491 1.00 4.40 H new ATOM 0 HB3 GLU A 30 11.597 -8.450 1.022 1.00 4.40 H new ATOM 0 HG2 GLU A 30 10.751 -6.518 -0.280 1.00 54.22 H new ATOM 0 HG3 GLU A 30 10.088 -5.817 1.183 1.00 54.22 H new ATOM 537 N ARG A 31 7.960 -6.715 0.523 1.00 31.04 N ATOM 538 CA ARG A 31 6.880 -5.754 0.710 1.00 10.41 C ATOM 539 C ARG A 31 5.528 -6.459 0.772 1.00 25.22 C ATOM 540 O ARG A 31 4.524 -5.867 1.168 1.00 4.54 O ATOM 541 CB ARG A 31 6.880 -4.728 -0.425 1.00 0.33 C ATOM 542 CG ARG A 31 7.865 -3.589 -0.216 1.00 54.30 C ATOM 543 CD ARG A 31 8.284 -2.965 -1.538 1.00 72.42 C ATOM 544 NE ARG A 31 9.223 -1.863 -1.350 1.00 61.03 N ATOM 545 CZ ARG A 31 9.639 -1.076 -2.336 1.00 42.11 C ATOM 546 NH1 ARG A 31 9.201 -1.268 -3.573 1.00 21.54 N ATOM 547 NH2 ARG A 31 10.495 -0.093 -2.086 1.00 22.31 N ATOM 0 H ARG A 31 8.412 -6.669 -0.390 1.00 31.04 H new ATOM 0 HA ARG A 31 7.046 -5.240 1.657 1.00 10.41 H new ATOM 0 HB2 ARG A 31 7.116 -5.234 -1.361 1.00 0.33 H new ATOM 0 HB3 ARG A 31 5.877 -4.315 -0.530 1.00 0.33 H new ATOM 0 HG2 ARG A 31 7.413 -2.828 0.420 1.00 54.30 H new ATOM 0 HG3 ARG A 31 8.746 -3.960 0.308 1.00 54.30 H new ATOM 0 HD2 ARG A 31 8.741 -3.727 -2.170 1.00 72.42 H new ATOM 0 HD3 ARG A 31 7.401 -2.603 -2.064 1.00 72.42 H new ATOM 0 HE ARG A 31 9.579 -1.688 -0.410 1.00 61.03 H new ATOM 0 HH11 ARG A 31 8.543 -2.022 -3.770 1.00 21.54 H new ATOM 0 HH12 ARG A 31 9.522 -0.662 -4.328 1.00 21.54 H new ATOM 0 HH21 ARG A 31 10.834 0.059 -1.136 1.00 22.31 H new ATOM 0 HH22 ARG A 31 10.814 0.511 -2.844 1.00 22.31 H new ATOM 561 N HIS A 32 5.511 -7.728 0.377 1.00 34.44 N ATOM 562 CA HIS A 32 4.282 -8.515 0.388 1.00 25.22 C ATOM 563 C HIS A 32 4.161 -9.316 1.681 1.00 4.34 C ATOM 564 O HIS A 32 3.184 -10.037 1.888 1.00 4.34 O ATOM 565 CB HIS A 32 4.246 -9.458 -0.815 1.00 35.54 C ATOM 566 CG HIS A 32 3.756 -8.808 -2.071 1.00 41.55 C ATOM 567 ND1 HIS A 32 2.425 -8.535 -2.309 1.00 64.52 N ATOM 568 CD2 HIS A 32 4.428 -8.372 -3.163 1.00 23.33 C ATOM 569 CE1 HIS A 32 2.300 -7.963 -3.493 1.00 50.20 C ATOM 570 NE2 HIS A 32 3.501 -7.852 -4.031 1.00 51.25 N ATOM 0 H HIS A 32 6.333 -8.233 0.046 1.00 34.44 H new ATOM 0 HA HIS A 32 3.438 -7.827 0.327 1.00 25.22 H new ATOM 0 HB2 HIS A 32 5.247 -9.853 -0.987 1.00 35.54 H new ATOM 0 HB3 HIS A 32 3.604 -10.308 -0.581 1.00 35.54 H new ATOM 0 HD1 HIS A 32 1.657 -8.742 -1.670 1.00 64.52 H new ATOM 0 HD2 HIS A 32 5.495 -8.424 -3.321 1.00 23.33 H new ATOM 0 HE1 HIS A 32 1.373 -7.641 -3.944 1.00 50.20 H new ATOM 578 N LEU A 33 5.160 -9.185 2.548 1.00 53.01 N ATOM 579 CA LEU A 33 5.166 -9.897 3.821 1.00 13.23 C ATOM 580 C LEU A 33 5.163 -8.919 4.992 1.00 50.22 C ATOM 581 O LEU A 33 5.993 -8.012 5.058 1.00 53.11 O ATOM 582 CB LEU A 33 6.388 -10.813 3.910 1.00 15.12 C ATOM 583 CG LEU A 33 6.166 -12.163 4.594 1.00 40.34 C ATOM 584 CD1 LEU A 33 5.566 -13.163 3.618 1.00 54.20 C ATOM 585 CD2 LEU A 33 7.473 -12.692 5.166 1.00 42.33 C ATOM 0 H LEU A 33 5.976 -8.593 2.392 1.00 53.01 H new ATOM 0 HA LEU A 33 4.261 -10.502 3.875 1.00 13.23 H new ATOM 0 HB2 LEU A 33 6.754 -10.996 2.900 1.00 15.12 H new ATOM 0 HB3 LEU A 33 7.177 -10.283 4.444 1.00 15.12 H new ATOM 0 HG LEU A 33 5.464 -12.022 5.416 1.00 40.34 H new ATOM 0 HD11 LEU A 33 5.415 -14.118 4.122 1.00 54.20 H new ATOM 0 HD12 LEU A 33 4.609 -12.788 3.256 1.00 54.20 H new ATOM 0 HD13 LEU A 33 6.244 -13.301 2.776 1.00 54.20 H new ATOM 0 HD21 LEU A 33 7.296 -13.653 5.649 1.00 42.33 H new ATOM 0 HD22 LEU A 33 8.198 -12.818 4.362 1.00 42.33 H new ATOM 0 HD23 LEU A 33 7.863 -11.984 5.898 1.00 42.33 H new ATOM 597 N SER A 34 4.226 -9.111 5.915 1.00 53.24 N ATOM 598 CA SER A 34 4.114 -8.245 7.082 1.00 10.34 C ATOM 599 C SER A 34 5.462 -8.100 7.783 1.00 73.33 C ATOM 600 O SER A 34 6.390 -8.880 7.566 1.00 74.02 O ATOM 601 CB SER A 34 3.076 -8.801 8.059 1.00 61.31 C ATOM 602 OG SER A 34 3.700 -9.495 9.126 1.00 50.51 O ATOM 0 H SER A 34 3.533 -9.859 5.877 1.00 53.24 H new ATOM 0 HA SER A 34 3.792 -7.260 6.743 1.00 10.34 H new ATOM 0 HB2 SER A 34 2.472 -7.985 8.456 1.00 61.31 H new ATOM 0 HB3 SER A 34 2.398 -9.472 7.531 1.00 61.31 H new ATOM 0 HG SER A 34 3.015 -9.839 9.737 1.00 50.51 H new ATOM 608 N PRO A 35 5.574 -7.078 8.644 1.00 75.21 N ATOM 609 CA PRO A 35 6.803 -6.806 9.395 1.00 71.44 C ATOM 610 C PRO A 35 7.077 -7.862 10.460 1.00 32.32 C ATOM 611 O PRO A 35 8.211 -8.311 10.624 1.00 34.32 O ATOM 612 CB PRO A 35 6.528 -5.449 10.046 1.00 43.55 C ATOM 613 CG PRO A 35 5.044 -5.370 10.146 1.00 20.03 C ATOM 614 CD PRO A 35 4.508 -6.109 8.952 1.00 62.35 C ATOM 0 HA PRO A 35 7.684 -6.815 8.753 1.00 71.44 H new ATOM 0 HB2 PRO A 35 6.995 -5.379 11.028 1.00 43.55 H new ATOM 0 HB3 PRO A 35 6.928 -4.633 9.444 1.00 43.55 H new ATOM 0 HG2 PRO A 35 4.691 -5.820 11.074 1.00 20.03 H new ATOM 0 HG3 PRO A 35 4.708 -4.333 10.146 1.00 20.03 H new ATOM 0 HD2 PRO A 35 3.565 -6.607 9.178 1.00 62.35 H new ATOM 0 HD3 PRO A 35 4.321 -5.437 8.114 1.00 62.35 H new ATOM 622 N GLU A 36 6.031 -8.254 11.181 1.00 31.12 N ATOM 623 CA GLU A 36 6.161 -9.257 12.231 1.00 33.53 C ATOM 624 C GLU A 36 6.555 -10.610 11.646 1.00 64.24 C ATOM 625 O GLU A 36 7.298 -11.372 12.264 1.00 72.32 O ATOM 626 CB GLU A 36 4.848 -9.389 13.007 1.00 3.41 C ATOM 627 CG GLU A 36 4.690 -8.360 14.114 1.00 51.53 C ATOM 628 CD GLU A 36 3.500 -8.645 15.009 1.00 0.54 C ATOM 629 OE1 GLU A 36 2.374 -8.756 14.481 1.00 12.31 O ATOM 630 OE2 GLU A 36 3.695 -8.756 16.238 1.00 74.03 O ATOM 0 H GLU A 36 5.085 -7.893 11.057 1.00 31.12 H new ATOM 0 HA GLU A 36 6.947 -8.932 12.912 1.00 33.53 H new ATOM 0 HB2 GLU A 36 4.014 -9.294 12.312 1.00 3.41 H new ATOM 0 HB3 GLU A 36 4.790 -10.388 13.440 1.00 3.41 H new ATOM 0 HG2 GLU A 36 5.597 -8.339 14.718 1.00 51.53 H new ATOM 0 HG3 GLU A 36 4.578 -7.370 13.672 1.00 51.53 H new ATOM 637 N GLU A 37 6.052 -10.900 10.450 1.00 62.32 N ATOM 638 CA GLU A 37 6.351 -12.161 9.782 1.00 62.35 C ATOM 639 C GLU A 37 7.780 -12.167 9.245 1.00 74.34 C ATOM 640 O GLU A 37 8.481 -13.176 9.326 1.00 1.22 O ATOM 641 CB GLU A 37 5.364 -12.405 8.638 1.00 11.31 C ATOM 642 CG GLU A 37 4.227 -13.343 9.005 1.00 31.52 C ATOM 643 CD GLU A 37 4.719 -14.672 9.545 1.00 72.52 C ATOM 644 OE1 GLU A 37 5.908 -14.992 9.338 1.00 62.52 O ATOM 645 OE2 GLU A 37 3.915 -15.392 10.173 1.00 21.34 O ATOM 0 H GLU A 37 5.436 -10.279 9.925 1.00 62.32 H new ATOM 0 HA GLU A 37 6.253 -12.962 10.514 1.00 62.35 H new ATOM 0 HB2 GLU A 37 4.947 -11.450 8.319 1.00 11.31 H new ATOM 0 HB3 GLU A 37 5.904 -12.818 7.786 1.00 11.31 H new ATOM 0 HG2 GLU A 37 3.592 -12.864 9.751 1.00 31.52 H new ATOM 0 HG3 GLU A 37 3.608 -13.519 8.125 1.00 31.52 H new ATOM 652 N PHE A 38 8.203 -11.034 8.695 1.00 65.11 N ATOM 653 CA PHE A 38 9.547 -10.908 8.143 1.00 63.13 C ATOM 654 C PHE A 38 10.602 -11.106 9.228 1.00 52.13 C ATOM 655 O PHE A 38 11.608 -11.782 9.013 1.00 14.24 O ATOM 656 CB PHE A 38 9.725 -9.538 7.486 1.00 4.53 C ATOM 657 CG PHE A 38 10.508 -9.584 6.205 1.00 12.30 C ATOM 658 CD1 PHE A 38 9.971 -10.172 5.071 1.00 24.11 C ATOM 659 CD2 PHE A 38 11.780 -9.039 6.135 1.00 51.13 C ATOM 660 CE1 PHE A 38 10.689 -10.216 3.890 1.00 14.03 C ATOM 661 CE2 PHE A 38 12.501 -9.079 4.957 1.00 65.44 C ATOM 662 CZ PHE A 38 11.956 -9.670 3.833 1.00 13.35 C ATOM 0 H PHE A 38 7.635 -10.190 8.620 1.00 65.11 H new ATOM 0 HA PHE A 38 9.677 -11.684 7.389 1.00 63.13 H new ATOM 0 HB2 PHE A 38 8.743 -9.109 7.287 1.00 4.53 H new ATOM 0 HB3 PHE A 38 10.228 -8.871 8.186 1.00 4.53 H new ATOM 0 HD1 PHE A 38 8.981 -10.601 5.110 1.00 24.11 H new ATOM 0 HD2 PHE A 38 12.213 -8.578 7.011 1.00 51.13 H new ATOM 0 HE1 PHE A 38 10.259 -10.677 3.013 1.00 14.03 H new ATOM 0 HE2 PHE A 38 13.491 -8.648 4.915 1.00 65.44 H new ATOM 0 HZ PHE A 38 12.520 -9.705 2.912 1.00 13.35 H new ATOM 672 N GLN A 39 10.363 -10.510 10.392 1.00 64.42 N ATOM 673 CA GLN A 39 11.293 -10.620 11.510 1.00 50.12 C ATOM 674 C GLN A 39 11.146 -11.967 12.210 1.00 14.55 C ATOM 675 O GLN A 39 12.072 -12.439 12.868 1.00 1.44 O ATOM 676 CB GLN A 39 11.060 -9.484 12.508 1.00 74.24 C ATOM 677 CG GLN A 39 9.684 -9.515 13.153 1.00 54.51 C ATOM 678 CD GLN A 39 9.613 -10.463 14.333 1.00 22.32 C ATOM 679 OE1 GLN A 39 10.638 -10.849 14.897 1.00 41.25 O ATOM 680 NE2 GLN A 39 8.400 -10.845 14.715 1.00 60.35 N ATOM 0 H GLN A 39 9.535 -9.947 10.585 1.00 64.42 H new ATOM 0 HA GLN A 39 12.307 -10.545 11.116 1.00 50.12 H new ATOM 0 HB2 GLN A 39 11.819 -9.535 13.288 1.00 74.24 H new ATOM 0 HB3 GLN A 39 11.192 -8.530 11.997 1.00 74.24 H new ATOM 0 HG2 GLN A 39 9.419 -8.510 13.483 1.00 54.51 H new ATOM 0 HG3 GLN A 39 8.945 -9.812 12.409 1.00 54.51 H new ATOM 0 HE21 GLN A 39 7.577 -10.501 14.220 1.00 60.35 H new ATOM 0 HE22 GLN A 39 8.291 -11.482 15.504 1.00 60.35 H new ATOM 689 N GLU A 40 9.975 -12.579 12.064 1.00 32.15 N ATOM 690 CA GLU A 40 9.707 -13.871 12.685 1.00 31.20 C ATOM 691 C GLU A 40 10.234 -15.011 11.818 1.00 5.12 C ATOM 692 O GLU A 40 10.640 -16.056 12.327 1.00 62.12 O ATOM 693 CB GLU A 40 8.205 -14.047 12.920 1.00 62.51 C ATOM 694 CG GLU A 40 7.843 -15.370 13.574 1.00 34.11 C ATOM 695 CD GLU A 40 8.366 -15.482 14.993 1.00 14.20 C ATOM 696 OE1 GLU A 40 8.508 -14.433 15.657 1.00 74.35 O ATOM 697 OE2 GLU A 40 8.633 -16.617 15.440 1.00 51.32 O ATOM 0 H GLU A 40 9.198 -12.202 11.522 1.00 32.15 H new ATOM 0 HA GLU A 40 10.223 -13.898 13.644 1.00 31.20 H new ATOM 0 HB2 GLU A 40 7.846 -13.231 13.547 1.00 62.51 H new ATOM 0 HB3 GLU A 40 7.685 -13.969 11.965 1.00 62.51 H new ATOM 0 HG2 GLU A 40 6.759 -15.483 13.580 1.00 34.11 H new ATOM 0 HG3 GLU A 40 8.245 -16.188 12.977 1.00 34.11 H new ATOM 704 N VAL A 41 10.225 -14.802 10.506 1.00 50.54 N ATOM 705 CA VAL A 41 10.703 -15.810 9.567 1.00 15.01 C ATOM 706 C VAL A 41 12.208 -15.697 9.358 1.00 44.20 C ATOM 707 O VAL A 41 12.869 -16.666 8.984 1.00 73.22 O ATOM 708 CB VAL A 41 9.995 -15.688 8.204 1.00 5.12 C ATOM 709 CG1 VAL A 41 8.494 -15.868 8.364 1.00 75.04 C ATOM 710 CG2 VAL A 41 10.314 -14.349 7.557 1.00 4.30 C ATOM 0 H VAL A 41 9.892 -13.943 10.069 1.00 50.54 H new ATOM 0 HA VAL A 41 10.472 -16.782 10.002 1.00 15.01 H new ATOM 0 HB VAL A 41 10.363 -16.479 7.550 1.00 5.12 H new ATOM 0 HG11 VAL A 41 8.011 -15.779 7.391 1.00 75.04 H new ATOM 0 HG12 VAL A 41 8.288 -16.853 8.782 1.00 75.04 H new ATOM 0 HG13 VAL A 41 8.105 -15.101 9.034 1.00 75.04 H new ATOM 0 HG21 VAL A 41 9.806 -14.279 6.595 1.00 4.30 H new ATOM 0 HG22 VAL A 41 9.975 -13.541 8.206 1.00 4.30 H new ATOM 0 HG23 VAL A 41 11.390 -14.265 7.406 1.00 4.30 H new ATOM 720 N PHE A 42 12.746 -14.506 9.602 1.00 23.55 N ATOM 721 CA PHE A 42 14.175 -14.266 9.441 1.00 44.54 C ATOM 722 C PHE A 42 14.930 -14.581 10.729 1.00 35.21 C ATOM 723 O PHE A 42 15.971 -15.235 10.707 1.00 24.12 O ATOM 724 CB PHE A 42 14.426 -12.812 9.033 1.00 62.33 C ATOM 725 CG PHE A 42 14.267 -12.567 7.559 1.00 23.43 C ATOM 726 CD1 PHE A 42 13.335 -13.280 6.822 1.00 45.53 C ATOM 727 CD2 PHE A 42 15.050 -11.625 6.912 1.00 64.31 C ATOM 728 CE1 PHE A 42 13.186 -13.056 5.466 1.00 64.42 C ATOM 729 CE2 PHE A 42 14.906 -11.397 5.556 1.00 35.54 C ATOM 730 CZ PHE A 42 13.973 -12.115 4.832 1.00 4.32 C ATOM 0 H PHE A 42 12.214 -13.693 9.912 1.00 23.55 H new ATOM 0 HA PHE A 42 14.542 -14.927 8.656 1.00 44.54 H new ATOM 0 HB2 PHE A 42 13.737 -12.166 9.577 1.00 62.33 H new ATOM 0 HB3 PHE A 42 15.434 -12.527 9.334 1.00 62.33 H new ATOM 0 HD1 PHE A 42 12.718 -14.019 7.312 1.00 45.53 H new ATOM 0 HD2 PHE A 42 15.781 -11.062 7.473 1.00 64.31 H new ATOM 0 HE1 PHE A 42 12.455 -13.617 4.903 1.00 64.42 H new ATOM 0 HE2 PHE A 42 15.522 -10.659 5.063 1.00 35.54 H new ATOM 0 HZ PHE A 42 13.860 -11.940 3.772 1.00 4.32 H new ATOM 740 N GLY A 43 14.394 -14.110 11.852 1.00 65.44 N ATOM 741 CA GLY A 43 15.030 -14.351 13.134 1.00 35.41 C ATOM 742 C GLY A 43 15.365 -13.067 13.866 1.00 54.23 C ATOM 743 O GLY A 43 15.190 -12.973 15.080 1.00 12.12 O ATOM 0 H GLY A 43 13.532 -13.567 11.896 1.00 65.44 H new ATOM 0 HA2 GLY A 43 14.371 -14.958 13.755 1.00 35.41 H new ATOM 0 HA3 GLY A 43 15.943 -14.927 12.981 1.00 35.41 H new ATOM 747 N MET A 44 15.849 -12.075 13.125 1.00 20.13 N ATOM 748 CA MET A 44 16.210 -10.790 13.712 1.00 11.21 C ATOM 749 C MET A 44 14.978 -9.909 13.891 1.00 14.22 C ATOM 750 O MET A 44 13.848 -10.360 13.703 1.00 51.34 O ATOM 751 CB MET A 44 17.239 -10.075 12.834 1.00 31.11 C ATOM 752 CG MET A 44 16.865 -10.045 11.361 1.00 32.21 C ATOM 753 SD MET A 44 17.732 -11.300 10.399 1.00 54.43 S ATOM 754 CE MET A 44 18.528 -10.284 9.157 1.00 1.53 C ATOM 0 H MET A 44 16.000 -12.137 12.118 1.00 20.13 H new ATOM 0 HA MET A 44 16.647 -10.977 14.693 1.00 11.21 H new ATOM 0 HB2 MET A 44 17.360 -9.052 13.190 1.00 31.11 H new ATOM 0 HB3 MET A 44 18.205 -10.568 12.945 1.00 31.11 H new ATOM 0 HG2 MET A 44 15.790 -10.194 11.260 1.00 32.21 H new ATOM 0 HG3 MET A 44 17.090 -9.060 10.953 1.00 32.21 H new ATOM 0 HE1 MET A 44 19.508 -10.698 8.922 1.00 1.53 H new ATOM 0 HE2 MET A 44 17.916 -10.266 8.255 1.00 1.53 H new ATOM 0 HE3 MET A 44 18.645 -9.269 9.537 1.00 1.53 H new ATOM 764 N SER A 45 15.203 -8.651 14.257 1.00 50.24 N ATOM 765 CA SER A 45 14.110 -7.708 14.465 1.00 3.02 C ATOM 766 C SER A 45 13.817 -6.926 13.189 1.00 53.33 C ATOM 767 O SER A 45 14.710 -6.687 12.375 1.00 75.42 O ATOM 768 CB SER A 45 14.452 -6.742 15.602 1.00 71.25 C ATOM 769 OG SER A 45 14.720 -5.443 15.103 1.00 11.14 O ATOM 0 H SER A 45 16.132 -8.261 14.416 1.00 50.24 H new ATOM 0 HA SER A 45 13.219 -8.275 14.735 1.00 3.02 H new ATOM 0 HB2 SER A 45 13.624 -6.700 16.309 1.00 71.25 H new ATOM 0 HB3 SER A 45 15.320 -7.111 16.149 1.00 71.25 H new ATOM 0 HG SER A 45 14.934 -4.844 15.848 1.00 11.14 H new ATOM 775 N ILE A 46 12.560 -6.529 13.021 1.00 33.33 N ATOM 776 CA ILE A 46 12.148 -5.773 11.845 1.00 32.21 C ATOM 777 C ILE A 46 13.004 -4.524 11.667 1.00 13.45 C ATOM 778 O ILE A 46 13.243 -4.078 10.546 1.00 71.13 O ATOM 779 CB ILE A 46 10.667 -5.359 11.932 1.00 71.30 C ATOM 780 CG1 ILE A 46 10.107 -5.091 10.534 1.00 51.04 C ATOM 781 CG2 ILE A 46 10.511 -4.131 12.816 1.00 43.34 C ATOM 782 CD1 ILE A 46 10.281 -3.659 10.078 1.00 73.24 C ATOM 0 H ILE A 46 11.809 -6.719 13.685 1.00 33.33 H new ATOM 0 HA ILE A 46 12.283 -6.429 10.985 1.00 32.21 H new ATOM 0 HB ILE A 46 10.102 -6.177 12.378 1.00 71.30 H new ATOM 0 HG12 ILE A 46 10.599 -5.753 9.821 1.00 51.04 H new ATOM 0 HG13 ILE A 46 9.046 -5.341 10.522 1.00 51.04 H new ATOM 0 HG21 ILE A 46 9.459 -3.851 12.867 1.00 43.34 H new ATOM 0 HG22 ILE A 46 10.876 -4.355 13.818 1.00 43.34 H new ATOM 0 HG23 ILE A 46 11.086 -3.305 12.397 1.00 43.34 H new ATOM 0 HD11 ILE A 46 9.861 -3.542 9.079 1.00 73.24 H new ATOM 0 HD12 ILE A 46 9.765 -2.992 10.769 1.00 73.24 H new ATOM 0 HD13 ILE A 46 11.342 -3.410 10.057 1.00 73.24 H new ATOM 794 N GLU A 47 13.463 -3.964 12.782 1.00 23.34 N ATOM 795 CA GLU A 47 14.294 -2.766 12.749 1.00 71.20 C ATOM 796 C GLU A 47 15.618 -3.041 12.041 1.00 35.43 C ATOM 797 O GLU A 47 16.122 -2.200 11.299 1.00 43.01 O ATOM 798 CB GLU A 47 14.558 -2.262 14.169 1.00 15.33 C ATOM 799 CG GLU A 47 13.318 -2.242 15.048 1.00 41.30 C ATOM 800 CD GLU A 47 13.453 -1.297 16.226 1.00 4.22 C ATOM 801 OE1 GLU A 47 14.346 -1.526 17.070 1.00 54.52 O ATOM 802 OE2 GLU A 47 12.668 -0.330 16.305 1.00 12.50 O ATOM 0 H GLU A 47 13.274 -4.320 13.719 1.00 23.34 H new ATOM 0 HA GLU A 47 13.757 -1.998 12.193 1.00 71.20 H new ATOM 0 HB2 GLU A 47 15.314 -2.894 14.635 1.00 15.33 H new ATOM 0 HB3 GLU A 47 14.973 -1.255 14.117 1.00 15.33 H new ATOM 0 HG2 GLU A 47 12.457 -1.948 14.448 1.00 41.30 H new ATOM 0 HG3 GLU A 47 13.122 -3.249 15.416 1.00 41.30 H new ATOM 809 N GLU A 48 16.174 -4.225 12.278 1.00 34.54 N ATOM 810 CA GLU A 48 17.439 -4.611 11.665 1.00 41.21 C ATOM 811 C GLU A 48 17.352 -4.534 10.143 1.00 33.23 C ATOM 812 O GLU A 48 18.277 -4.067 9.480 1.00 45.50 O ATOM 813 CB GLU A 48 17.829 -6.027 12.094 1.00 72.03 C ATOM 814 CG GLU A 48 19.322 -6.299 12.012 1.00 55.42 C ATOM 815 CD GLU A 48 19.772 -7.379 12.976 1.00 74.22 C ATOM 816 OE1 GLU A 48 19.625 -7.182 14.200 1.00 55.11 O ATOM 817 OE2 GLU A 48 20.271 -8.423 12.505 1.00 51.20 O ATOM 0 H GLU A 48 15.768 -4.933 12.890 1.00 34.54 H new ATOM 0 HA GLU A 48 18.205 -3.913 12.004 1.00 41.21 H new ATOM 0 HB2 GLU A 48 17.494 -6.192 13.118 1.00 72.03 H new ATOM 0 HB3 GLU A 48 17.302 -6.746 11.466 1.00 72.03 H new ATOM 0 HG2 GLU A 48 19.578 -6.595 10.995 1.00 55.42 H new ATOM 0 HG3 GLU A 48 19.867 -5.379 12.223 1.00 55.42 H new ATOM 824 N PHE A 49 16.233 -4.998 9.597 1.00 55.42 N ATOM 825 CA PHE A 49 16.024 -4.984 8.154 1.00 53.54 C ATOM 826 C PHE A 49 16.138 -3.566 7.601 1.00 15.44 C ATOM 827 O PHE A 49 16.928 -3.303 6.695 1.00 53.43 O ATOM 828 CB PHE A 49 14.652 -5.568 7.810 1.00 63.43 C ATOM 829 CG PHE A 49 14.415 -6.928 8.402 1.00 71.22 C ATOM 830 CD1 PHE A 49 15.427 -7.874 8.426 1.00 3.15 C ATOM 831 CD2 PHE A 49 13.180 -7.261 8.934 1.00 14.41 C ATOM 832 CE1 PHE A 49 15.211 -9.126 8.970 1.00 21.10 C ATOM 833 CE2 PHE A 49 12.958 -8.511 9.479 1.00 33.23 C ATOM 834 CZ PHE A 49 13.975 -9.445 9.498 1.00 2.32 C ATOM 0 H PHE A 49 15.457 -5.388 10.132 1.00 55.42 H new ATOM 0 HA PHE A 49 16.799 -5.598 7.695 1.00 53.54 H new ATOM 0 HB2 PHE A 49 13.877 -4.887 8.162 1.00 63.43 H new ATOM 0 HB3 PHE A 49 14.553 -5.630 6.726 1.00 63.43 H new ATOM 0 HD1 PHE A 49 16.396 -7.630 8.015 1.00 3.15 H new ATOM 0 HD2 PHE A 49 12.381 -6.535 8.923 1.00 14.41 H new ATOM 0 HE1 PHE A 49 16.008 -9.855 8.982 1.00 21.10 H new ATOM 0 HE2 PHE A 49 11.990 -8.757 9.890 1.00 33.23 H new ATOM 0 HZ PHE A 49 13.804 -10.422 9.925 1.00 2.32 H new ATOM 844 N ASP A 50 15.342 -2.656 8.154 1.00 23.53 N ATOM 845 CA ASP A 50 15.353 -1.265 7.718 1.00 1.14 C ATOM 846 C ASP A 50 16.750 -0.665 7.850 1.00 75.12 C ATOM 847 O ASP A 50 17.156 0.169 7.041 1.00 50.40 O ATOM 848 CB ASP A 50 14.353 -0.445 8.535 1.00 3.41 C ATOM 849 CG ASP A 50 14.094 0.921 7.930 1.00 11.12 C ATOM 850 OD1 ASP A 50 14.481 1.136 6.762 1.00 12.32 O ATOM 851 OD2 ASP A 50 13.503 1.774 8.624 1.00 2.53 O ATOM 0 H ASP A 50 14.682 -2.857 8.905 1.00 23.53 H new ATOM 0 HA ASP A 50 15.063 -1.236 6.668 1.00 1.14 H new ATOM 0 HB2 ASP A 50 13.413 -0.991 8.607 1.00 3.41 H new ATOM 0 HB3 ASP A 50 14.730 -0.324 9.550 1.00 3.41 H new ATOM 856 N ARG A 51 17.479 -1.095 8.874 1.00 33.13 N ATOM 857 CA ARG A 51 18.829 -0.599 9.113 1.00 54.21 C ATOM 858 C ARG A 51 19.824 -1.249 8.156 1.00 11.12 C ATOM 859 O ARG A 51 20.881 -0.687 7.867 1.00 62.10 O ATOM 860 CB ARG A 51 19.246 -0.868 10.560 1.00 74.01 C ATOM 861 CG ARG A 51 18.955 0.288 11.503 1.00 51.23 C ATOM 862 CD ARG A 51 17.572 0.167 12.123 1.00 53.01 C ATOM 863 NE ARG A 51 17.333 1.194 13.134 1.00 62.04 N ATOM 864 CZ ARG A 51 16.122 1.564 13.533 1.00 12.25 C ATOM 865 NH1 ARG A 51 15.045 0.994 13.011 1.00 14.13 N ATOM 866 NH2 ARG A 51 15.986 2.506 14.458 1.00 0.21 N ATOM 0 H ARG A 51 17.158 -1.786 9.552 1.00 33.13 H new ATOM 0 HA ARG A 51 18.830 0.477 8.936 1.00 54.21 H new ATOM 0 HB2 ARG A 51 18.728 -1.758 10.919 1.00 74.01 H new ATOM 0 HB3 ARG A 51 20.313 -1.088 10.587 1.00 74.01 H new ATOM 0 HG2 ARG A 51 19.707 0.314 12.291 1.00 51.23 H new ATOM 0 HG3 ARG A 51 19.030 1.230 10.960 1.00 51.23 H new ATOM 0 HD2 ARG A 51 16.816 0.245 11.341 1.00 53.01 H new ATOM 0 HD3 ARG A 51 17.462 -0.819 12.575 1.00 53.01 H new ATOM 0 HE ARG A 51 18.141 1.652 13.556 1.00 62.04 H new ATOM 0 HH11 ARG A 51 15.145 0.269 12.301 1.00 14.13 H new ATOM 0 HH12 ARG A 51 14.116 1.280 13.320 1.00 14.13 H new ATOM 0 HH21 ARG A 51 16.812 2.946 14.863 1.00 0.21 H new ATOM 0 HH22 ARG A 51 15.055 2.790 14.764 1.00 0.21 H new ATOM 880 N LEU A 52 19.479 -2.436 7.669 1.00 40.54 N ATOM 881 CA LEU A 52 20.342 -3.163 6.745 1.00 61.25 C ATOM 882 C LEU A 52 20.184 -2.636 5.322 1.00 73.10 C ATOM 883 O LEU A 52 19.306 -1.818 5.047 1.00 63.34 O ATOM 884 CB LEU A 52 20.021 -4.658 6.785 1.00 34.14 C ATOM 885 CG LEU A 52 20.589 -5.435 7.974 1.00 52.41 C ATOM 886 CD1 LEU A 52 20.003 -6.837 8.024 1.00 30.14 C ATOM 887 CD2 LEU A 52 22.107 -5.491 7.897 1.00 65.41 C ATOM 0 H LEU A 52 18.608 -2.915 7.899 1.00 40.54 H new ATOM 0 HA LEU A 52 21.375 -3.011 7.057 1.00 61.25 H new ATOM 0 HB2 LEU A 52 18.937 -4.777 6.783 1.00 34.14 H new ATOM 0 HB3 LEU A 52 20.393 -5.114 5.867 1.00 34.14 H new ATOM 0 HG LEU A 52 20.311 -4.915 8.891 1.00 52.41 H new ATOM 0 HD11 LEU A 52 20.419 -7.375 8.876 1.00 30.14 H new ATOM 0 HD12 LEU A 52 18.920 -6.775 8.127 1.00 30.14 H new ATOM 0 HD13 LEU A 52 20.250 -7.368 7.104 1.00 30.14 H new ATOM 0 HD21 LEU A 52 22.494 -6.047 8.751 1.00 65.41 H new ATOM 0 HD22 LEU A 52 22.406 -5.988 6.974 1.00 65.41 H new ATOM 0 HD23 LEU A 52 22.510 -4.478 7.911 1.00 65.41 H new ATOM 899 N ALA A 53 21.038 -3.112 4.422 1.00 53.23 N ATOM 900 CA ALA A 53 20.990 -2.692 3.027 1.00 51.13 C ATOM 901 C ALA A 53 20.150 -3.653 2.193 1.00 53.04 C ATOM 902 O ALA A 53 19.749 -4.717 2.668 1.00 43.44 O ATOM 903 CB ALA A 53 22.397 -2.588 2.458 1.00 23.31 C ATOM 0 H ALA A 53 21.771 -3.789 4.634 1.00 53.23 H new ATOM 0 HA ALA A 53 20.520 -1.710 2.985 1.00 51.13 H new ATOM 0 HB1 ALA A 53 22.346 -2.273 1.416 1.00 23.31 H new ATOM 0 HB2 ALA A 53 22.968 -1.856 3.030 1.00 23.31 H new ATOM 0 HB3 ALA A 53 22.887 -3.560 2.520 1.00 23.31 H new ATOM 909 N LEU A 54 19.885 -3.272 0.948 1.00 63.44 N ATOM 910 CA LEU A 54 19.091 -4.101 0.047 1.00 44.23 C ATOM 911 C LEU A 54 19.745 -5.464 -0.158 1.00 42.41 C ATOM 912 O LEU A 54 19.130 -6.501 0.088 1.00 24.14 O ATOM 913 CB LEU A 54 18.916 -3.399 -1.301 1.00 74.11 C ATOM 914 CG LEU A 54 17.580 -3.630 -2.009 1.00 61.20 C ATOM 915 CD1 LEU A 54 17.754 -3.548 -3.518 1.00 23.14 C ATOM 916 CD2 LEU A 54 16.991 -4.976 -1.611 1.00 2.32 C ATOM 0 H LEU A 54 20.208 -2.395 0.539 1.00 63.44 H new ATOM 0 HA LEU A 54 18.112 -4.253 0.501 1.00 44.23 H new ATOM 0 HB2 LEU A 54 19.044 -2.327 -1.149 1.00 74.11 H new ATOM 0 HB3 LEU A 54 19.717 -3.725 -1.964 1.00 74.11 H new ATOM 0 HG LEU A 54 16.887 -2.847 -1.701 1.00 61.20 H new ATOM 0 HD11 LEU A 54 16.793 -3.715 -4.005 1.00 23.14 H new ATOM 0 HD12 LEU A 54 18.131 -2.561 -3.788 1.00 23.14 H new ATOM 0 HD13 LEU A 54 18.463 -4.309 -3.844 1.00 23.14 H new ATOM 0 HD21 LEU A 54 16.041 -5.123 -2.124 1.00 2.32 H new ATOM 0 HD22 LEU A 54 17.681 -5.772 -1.890 1.00 2.32 H new ATOM 0 HD23 LEU A 54 16.829 -4.998 -0.533 1.00 2.32 H new ATOM 928 N TRP A 55 20.995 -5.453 -0.608 1.00 54.41 N ATOM 929 CA TRP A 55 21.733 -6.688 -0.844 1.00 32.32 C ATOM 930 C TRP A 55 21.522 -7.675 0.299 1.00 13.13 C ATOM 931 O TRP A 55 21.374 -8.877 0.076 1.00 2.24 O ATOM 932 CB TRP A 55 23.224 -6.392 -1.009 1.00 42.12 C ATOM 933 CG TRP A 55 23.893 -5.981 0.267 1.00 24.15 C ATOM 934 CD1 TRP A 55 24.047 -4.709 0.740 1.00 52.12 C ATOM 935 CD2 TRP A 55 24.501 -6.846 1.233 1.00 12.14 C ATOM 936 NE1 TRP A 55 24.713 -4.731 1.941 1.00 1.24 N ATOM 937 CE2 TRP A 55 25.002 -6.030 2.266 1.00 11.34 C ATOM 938 CE3 TRP A 55 24.668 -8.230 1.327 1.00 23.04 C ATOM 939 CZ2 TRP A 55 25.659 -6.554 3.376 1.00 11.14 C ATOM 940 CZ3 TRP A 55 25.321 -8.749 2.430 1.00 51.44 C ATOM 941 CH2 TRP A 55 25.809 -7.912 3.442 1.00 21.45 C ATOM 0 H TRP A 55 21.518 -4.603 -0.817 1.00 54.41 H new ATOM 0 HA TRP A 55 21.355 -7.138 -1.762 1.00 32.32 H new ATOM 0 HB2 TRP A 55 23.722 -7.278 -1.402 1.00 42.12 H new ATOM 0 HB3 TRP A 55 23.350 -5.601 -1.748 1.00 42.12 H new ATOM 0 HD1 TRP A 55 23.696 -3.817 0.243 1.00 52.12 H new ATOM 0 HE1 TRP A 55 24.953 -3.913 2.500 1.00 1.24 H new ATOM 0 HE3 TRP A 55 24.294 -8.883 0.552 1.00 23.04 H new ATOM 0 HZ2 TRP A 55 26.037 -5.911 4.157 1.00 11.14 H new ATOM 0 HZ3 TRP A 55 25.457 -9.817 2.513 1.00 51.44 H new ATOM 0 HH2 TRP A 55 26.314 -8.348 4.291 1.00 21.45 H new ATOM 952 N LYS A 56 21.508 -7.160 1.524 1.00 31.53 N ATOM 953 CA LYS A 56 21.313 -7.996 2.703 1.00 2.24 C ATOM 954 C LYS A 56 19.881 -8.516 2.771 1.00 31.01 C ATOM 955 O LYS A 56 19.653 -9.713 2.944 1.00 20.43 O ATOM 956 CB LYS A 56 21.641 -7.206 3.973 1.00 71.42 C ATOM 957 CG LYS A 56 21.755 -8.073 5.215 1.00 3.32 C ATOM 958 CD LYS A 56 23.127 -8.717 5.321 1.00 21.31 C ATOM 959 CE LYS A 56 23.334 -9.368 6.680 1.00 33.22 C ATOM 960 NZ LYS A 56 24.775 -9.442 7.046 1.00 22.24 N ATOM 0 H LYS A 56 21.629 -6.168 1.726 1.00 31.53 H new ATOM 0 HA LYS A 56 21.987 -8.849 2.628 1.00 2.24 H new ATOM 0 HB2 LYS A 56 22.579 -6.671 3.826 1.00 71.42 H new ATOM 0 HB3 LYS A 56 20.868 -6.455 4.134 1.00 71.42 H new ATOM 0 HG2 LYS A 56 21.567 -7.467 6.101 1.00 3.32 H new ATOM 0 HG3 LYS A 56 20.989 -8.848 5.190 1.00 3.32 H new ATOM 0 HD2 LYS A 56 23.240 -9.466 4.537 1.00 21.31 H new ATOM 0 HD3 LYS A 56 23.897 -7.964 5.156 1.00 21.31 H new ATOM 0 HE2 LYS A 56 22.795 -8.802 7.440 1.00 33.22 H new ATOM 0 HE3 LYS A 56 22.910 -10.372 6.670 1.00 33.22 H new ATOM 0 HZ1 LYS A 56 24.874 -9.892 7.978 1.00 22.24 H new ATOM 0 HZ2 LYS A 56 25.285 -10.004 6.335 1.00 22.24 H new ATOM 0 HZ3 LYS A 56 25.174 -8.482 7.081 1.00 22.24 H new ATOM 974 N ARG A 57 18.920 -7.609 2.632 1.00 75.00 N ATOM 975 CA ARG A 57 17.510 -7.977 2.677 1.00 35.12 C ATOM 976 C ARG A 57 17.198 -9.064 1.652 1.00 3.04 C ATOM 977 O ARG A 57 16.418 -9.977 1.919 1.00 53.32 O ATOM 978 CB ARG A 57 16.632 -6.751 2.419 1.00 71.14 C ATOM 979 CG ARG A 57 17.055 -5.522 3.206 1.00 22.04 C ATOM 980 CD ARG A 57 15.901 -4.957 4.020 1.00 62.12 C ATOM 981 NE ARG A 57 14.823 -4.460 3.169 1.00 62.51 N ATOM 982 CZ ARG A 57 14.837 -3.266 2.587 1.00 33.25 C ATOM 983 NH1 ARG A 57 15.867 -2.451 2.764 1.00 2.10 N ATOM 984 NH2 ARG A 57 13.818 -2.886 1.827 1.00 1.40 N ATOM 0 H ARG A 57 19.092 -6.614 2.487 1.00 75.00 H new ATOM 0 HA ARG A 57 17.294 -8.367 3.672 1.00 35.12 H new ATOM 0 HB2 ARG A 57 16.655 -6.516 1.355 1.00 71.14 H new ATOM 0 HB3 ARG A 57 15.600 -6.995 2.670 1.00 71.14 H new ATOM 0 HG2 ARG A 57 17.879 -5.780 3.871 1.00 22.04 H new ATOM 0 HG3 ARG A 57 17.426 -4.760 2.521 1.00 22.04 H new ATOM 0 HD2 ARG A 57 15.512 -5.730 4.683 1.00 62.12 H new ATOM 0 HD3 ARG A 57 16.266 -4.148 4.653 1.00 62.12 H new ATOM 0 HE ARG A 57 14.015 -5.063 3.013 1.00 62.51 H new ATOM 0 HH11 ARG A 57 16.652 -2.740 3.348 1.00 2.10 H new ATOM 0 HH12 ARG A 57 15.875 -1.535 2.316 1.00 2.10 H new ATOM 0 HH21 ARG A 57 13.024 -3.511 1.690 1.00 1.40 H new ATOM 0 HH22 ARG A 57 13.829 -1.969 1.380 1.00 1.40 H new ATOM 998 N ASN A 58 17.814 -8.958 0.479 1.00 23.04 N ATOM 999 CA ASN A 58 17.602 -9.931 -0.586 1.00 21.11 C ATOM 1000 C ASN A 58 18.159 -11.297 -0.194 1.00 53.43 C ATOM 1001 O ASN A 58 17.456 -12.306 -0.255 1.00 52.50 O ATOM 1002 CB ASN A 58 18.261 -9.452 -1.881 1.00 74.03 C ATOM 1003 CG ASN A 58 17.319 -8.628 -2.738 1.00 72.32 C ATOM 1004 OD1 ASN A 58 16.157 -8.989 -2.926 1.00 71.23 O ATOM 1005 ND2 ASN A 58 17.818 -7.515 -3.263 1.00 35.01 N ATOM 0 H ASN A 58 18.464 -8.208 0.242 1.00 23.04 H new ATOM 0 HA ASN A 58 16.528 -10.029 -0.747 1.00 21.11 H new ATOM 0 HB2 ASN A 58 19.142 -8.857 -1.639 1.00 74.03 H new ATOM 0 HB3 ASN A 58 18.606 -10.315 -2.451 1.00 74.03 H new ATOM 0 HD21 ASN A 58 17.232 -6.920 -3.849 1.00 35.01 H new ATOM 0 HD22 ASN A 58 18.787 -7.255 -3.080 1.00 35.01 H new ATOM 1012 N ASP A 59 19.425 -11.320 0.208 1.00 55.00 N ATOM 1013 CA ASP A 59 20.076 -12.561 0.612 1.00 52.24 C ATOM 1014 C ASP A 59 19.262 -13.278 1.684 1.00 11.44 C ATOM 1015 O ASP A 59 18.951 -14.462 1.555 1.00 60.51 O ATOM 1016 CB ASP A 59 21.487 -12.276 1.129 1.00 34.41 C ATOM 1017 CG ASP A 59 22.232 -13.542 1.503 1.00 22.34 C ATOM 1018 OD1 ASP A 59 22.032 -14.571 0.824 1.00 4.32 O ATOM 1019 OD2 ASP A 59 23.015 -13.505 2.476 1.00 12.31 O ATOM 0 H ASP A 59 20.021 -10.494 0.263 1.00 55.00 H new ATOM 0 HA ASP A 59 20.142 -13.210 -0.262 1.00 52.24 H new ATOM 0 HB2 ASP A 59 22.049 -11.739 0.365 1.00 34.41 H new ATOM 0 HB3 ASP A 59 21.427 -11.622 1.999 1.00 34.41 H new ATOM 1024 N LEU A 60 18.921 -12.552 2.744 1.00 73.52 N ATOM 1025 CA LEU A 60 18.143 -13.119 3.841 1.00 64.13 C ATOM 1026 C LEU A 60 16.818 -13.680 3.336 1.00 54.51 C ATOM 1027 O LEU A 60 16.354 -14.722 3.800 1.00 4.41 O ATOM 1028 CB LEU A 60 17.887 -12.057 4.912 1.00 72.54 C ATOM 1029 CG LEU A 60 19.128 -11.411 5.527 1.00 23.55 C ATOM 1030 CD1 LEU A 60 18.833 -9.979 5.946 1.00 61.51 C ATOM 1031 CD2 LEU A 60 19.619 -12.226 6.716 1.00 45.34 C ATOM 0 H LEU A 60 19.171 -11.571 2.867 1.00 73.52 H new ATOM 0 HA LEU A 60 18.718 -13.935 4.278 1.00 64.13 H new ATOM 0 HB2 LEU A 60 17.271 -11.271 4.475 1.00 72.54 H new ATOM 0 HB3 LEU A 60 17.304 -12.511 5.713 1.00 72.54 H new ATOM 0 HG LEU A 60 19.916 -11.392 4.774 1.00 23.55 H new ATOM 0 HD11 LEU A 60 19.728 -9.536 6.382 1.00 61.51 H new ATOM 0 HD12 LEU A 60 18.529 -9.400 5.074 1.00 61.51 H new ATOM 0 HD13 LEU A 60 18.030 -9.974 6.683 1.00 61.51 H new ATOM 0 HD21 LEU A 60 20.503 -11.752 7.142 1.00 45.34 H new ATOM 0 HD22 LEU A 60 18.835 -12.276 7.471 1.00 45.34 H new ATOM 0 HD23 LEU A 60 19.871 -13.234 6.387 1.00 45.34 H new ATOM 1043 N LYS A 61 16.212 -12.982 2.381 1.00 72.33 N ATOM 1044 CA LYS A 61 14.941 -13.411 1.809 1.00 12.10 C ATOM 1045 C LYS A 61 15.057 -14.809 1.210 1.00 44.20 C ATOM 1046 O LYS A 61 14.284 -15.706 1.546 1.00 61.03 O ATOM 1047 CB LYS A 61 14.481 -12.421 0.736 1.00 63.31 C ATOM 1048 CG LYS A 61 13.510 -11.373 1.251 1.00 72.42 C ATOM 1049 CD LYS A 61 12.702 -10.759 0.120 1.00 11.32 C ATOM 1050 CE LYS A 61 13.422 -9.570 -0.497 1.00 1.51 C ATOM 1051 NZ LYS A 61 12.507 -8.736 -1.325 1.00 2.54 N ATOM 0 H LYS A 61 16.581 -12.117 1.987 1.00 72.33 H new ATOM 0 HA LYS A 61 14.202 -13.439 2.610 1.00 12.10 H new ATOM 0 HB2 LYS A 61 15.354 -11.921 0.317 1.00 63.31 H new ATOM 0 HB3 LYS A 61 14.009 -12.973 -0.077 1.00 63.31 H new ATOM 0 HG2 LYS A 61 12.835 -11.826 1.977 1.00 72.42 H new ATOM 0 HG3 LYS A 61 14.061 -10.590 1.773 1.00 72.42 H new ATOM 0 HD2 LYS A 61 12.517 -11.511 -0.647 1.00 11.32 H new ATOM 0 HD3 LYS A 61 11.730 -10.442 0.497 1.00 11.32 H new ATOM 0 HE2 LYS A 61 13.856 -8.958 0.294 1.00 1.51 H new ATOM 0 HE3 LYS A 61 14.247 -9.925 -1.114 1.00 1.51 H new ATOM 0 HZ1 LYS A 61 12.992 -8.454 -2.201 1.00 2.54 H new ATOM 0 HZ2 LYS A 61 11.656 -9.285 -1.562 1.00 2.54 H new ATOM 0 HZ3 LYS A 61 12.234 -7.886 -0.791 1.00 2.54 H new ATOM 1065 N LYS A 62 16.030 -14.988 0.322 1.00 13.13 N ATOM 1066 CA LYS A 62 16.250 -16.277 -0.322 1.00 62.10 C ATOM 1067 C LYS A 62 16.446 -17.378 0.716 1.00 54.31 C ATOM 1068 O LYS A 62 15.921 -18.482 0.571 1.00 24.30 O ATOM 1069 CB LYS A 62 17.470 -16.208 -1.243 1.00 62.04 C ATOM 1070 CG LYS A 62 17.258 -15.336 -2.469 1.00 5.55 C ATOM 1071 CD LYS A 62 18.371 -14.312 -2.624 1.00 22.45 C ATOM 1072 CE LYS A 62 18.133 -13.407 -3.822 1.00 14.30 C ATOM 1073 NZ LYS A 62 19.374 -12.696 -4.236 1.00 11.11 N ATOM 0 H LYS A 62 16.679 -14.256 0.032 1.00 13.13 H new ATOM 0 HA LYS A 62 15.367 -16.514 -0.915 1.00 62.10 H new ATOM 0 HB2 LYS A 62 18.320 -15.826 -0.678 1.00 62.04 H new ATOM 0 HB3 LYS A 62 17.729 -17.217 -1.565 1.00 62.04 H new ATOM 0 HG2 LYS A 62 17.213 -15.963 -3.359 1.00 5.55 H new ATOM 0 HG3 LYS A 62 16.299 -14.824 -2.391 1.00 5.55 H new ATOM 0 HD2 LYS A 62 18.440 -13.709 -1.719 1.00 22.45 H new ATOM 0 HD3 LYS A 62 19.326 -14.825 -2.739 1.00 22.45 H new ATOM 0 HE2 LYS A 62 17.759 -14.000 -4.656 1.00 14.30 H new ATOM 0 HE3 LYS A 62 17.361 -12.677 -3.578 1.00 14.30 H new ATOM 0 HZ1 LYS A 62 19.170 -12.089 -5.056 1.00 11.11 H new ATOM 0 HZ2 LYS A 62 19.717 -12.110 -3.449 1.00 11.11 H new ATOM 0 HZ3 LYS A 62 20.103 -13.392 -4.493 1.00 11.11 H new ATOM 1087 N LYS A 63 17.202 -17.069 1.764 1.00 51.12 N ATOM 1088 CA LYS A 63 17.465 -18.030 2.828 1.00 34.22 C ATOM 1089 C LYS A 63 16.178 -18.397 3.560 1.00 14.53 C ATOM 1090 O LYS A 63 16.020 -19.522 4.033 1.00 3.32 O ATOM 1091 CB LYS A 63 18.483 -17.460 3.818 1.00 33.14 C ATOM 1092 CG LYS A 63 19.918 -17.539 3.328 1.00 1.01 C ATOM 1093 CD LYS A 63 20.787 -16.472 3.973 1.00 20.32 C ATOM 1094 CE LYS A 63 21.052 -16.781 5.439 1.00 43.32 C ATOM 1095 NZ LYS A 63 22.239 -17.662 5.614 1.00 25.50 N ATOM 0 H LYS A 63 17.644 -16.160 1.899 1.00 51.12 H new ATOM 0 HA LYS A 63 17.874 -18.933 2.375 1.00 34.22 H new ATOM 0 HB2 LYS A 63 18.235 -16.419 4.022 1.00 33.14 H new ATOM 0 HB3 LYS A 63 18.400 -17.999 4.762 1.00 33.14 H new ATOM 0 HG2 LYS A 63 20.326 -18.525 3.551 1.00 1.01 H new ATOM 0 HG3 LYS A 63 19.940 -17.422 2.245 1.00 1.01 H new ATOM 0 HD2 LYS A 63 21.734 -16.400 3.438 1.00 20.32 H new ATOM 0 HD3 LYS A 63 20.298 -15.502 3.887 1.00 20.32 H new ATOM 0 HE2 LYS A 63 21.207 -15.850 5.984 1.00 43.32 H new ATOM 0 HE3 LYS A 63 20.175 -17.262 5.873 1.00 43.32 H new ATOM 0 HZ1 LYS A 63 22.386 -17.849 6.626 1.00 25.50 H new ATOM 0 HZ2 LYS A 63 22.081 -18.561 5.115 1.00 25.50 H new ATOM 0 HZ3 LYS A 63 23.081 -17.192 5.223 1.00 25.50 H new ATOM 1109 N ALA A 64 15.260 -17.440 3.649 1.00 54.33 N ATOM 1110 CA ALA A 64 13.985 -17.663 4.320 1.00 62.41 C ATOM 1111 C ALA A 64 13.003 -18.389 3.406 1.00 3.21 C ATOM 1112 O ALA A 64 11.840 -18.587 3.760 1.00 42.20 O ATOM 1113 CB ALA A 64 13.396 -16.341 4.788 1.00 53.15 C ATOM 0 H ALA A 64 15.376 -16.502 3.265 1.00 54.33 H new ATOM 0 HA ALA A 64 14.166 -18.295 5.190 1.00 62.41 H new ATOM 0 HB1 ALA A 64 12.444 -16.523 5.287 1.00 53.15 H new ATOM 0 HB2 ALA A 64 14.085 -15.862 5.484 1.00 53.15 H new ATOM 0 HB3 ALA A 64 13.236 -15.689 3.929 1.00 53.15 H new ATOM 1119 N LEU A 65 13.478 -18.783 2.230 1.00 52.55 N ATOM 1120 CA LEU A 65 12.641 -19.486 1.264 1.00 70.13 C ATOM 1121 C LEU A 65 11.590 -18.552 0.671 1.00 22.45 C ATOM 1122 O LEU A 65 10.503 -18.987 0.288 1.00 2.03 O ATOM 1123 CB LEU A 65 11.959 -20.684 1.927 1.00 24.20 C ATOM 1124 CG LEU A 65 12.830 -21.513 2.872 1.00 32.02 C ATOM 1125 CD1 LEU A 65 11.963 -22.355 3.795 1.00 21.42 C ATOM 1126 CD2 LEU A 65 13.785 -22.396 2.082 1.00 52.53 C ATOM 0 H LEU A 65 14.438 -18.628 1.922 1.00 52.55 H new ATOM 0 HA LEU A 65 13.281 -19.841 0.457 1.00 70.13 H new ATOM 0 HB2 LEU A 65 11.095 -20.322 2.485 1.00 24.20 H new ATOM 0 HB3 LEU A 65 11.581 -21.341 1.144 1.00 24.20 H new ATOM 0 HG LEU A 65 13.420 -20.831 3.483 1.00 32.02 H new ATOM 0 HD11 LEU A 65 12.600 -22.938 4.460 1.00 21.42 H new ATOM 0 HD12 LEU A 65 11.321 -21.702 4.387 1.00 21.42 H new ATOM 0 HD13 LEU A 65 11.346 -23.029 3.200 1.00 21.42 H new ATOM 0 HD21 LEU A 65 14.396 -22.978 2.771 1.00 52.53 H new ATOM 0 HD22 LEU A 65 13.214 -23.071 1.445 1.00 52.53 H new ATOM 0 HD23 LEU A 65 14.430 -21.772 1.463 1.00 52.53 H new ATOM 1138 N LEU A 66 11.922 -17.268 0.597 1.00 30.24 N ATOM 1139 CA LEU A 66 11.008 -16.272 0.049 1.00 32.32 C ATOM 1140 C LEU A 66 11.134 -16.195 -1.469 1.00 11.51 C ATOM 1141 O LEU A 66 10.171 -15.875 -2.167 1.00 3.52 O ATOM 1142 CB LEU A 66 11.287 -14.901 0.666 1.00 12.34 C ATOM 1143 CG LEU A 66 10.338 -14.461 1.782 1.00 54.03 C ATOM 1144 CD1 LEU A 66 11.041 -13.510 2.738 1.00 63.34 C ATOM 1145 CD2 LEU A 66 9.094 -13.808 1.197 1.00 74.32 C ATOM 0 H LEU A 66 12.817 -16.892 0.910 1.00 30.24 H new ATOM 0 HA LEU A 66 9.990 -16.574 0.296 1.00 32.32 H new ATOM 0 HB2 LEU A 66 12.303 -14.902 1.060 1.00 12.34 H new ATOM 0 HB3 LEU A 66 11.254 -14.154 -0.127 1.00 12.34 H new ATOM 0 HG LEU A 66 10.032 -15.345 2.342 1.00 54.03 H new ATOM 0 HD11 LEU A 66 10.350 -13.208 3.525 1.00 63.34 H new ATOM 0 HD12 LEU A 66 11.901 -14.011 3.183 1.00 63.34 H new ATOM 0 HD13 LEU A 66 11.377 -12.628 2.192 1.00 63.34 H new ATOM 0 HD21 LEU A 66 8.430 -13.501 2.005 1.00 74.32 H new ATOM 0 HD22 LEU A 66 9.382 -12.934 0.613 1.00 74.32 H new ATOM 0 HD23 LEU A 66 8.577 -14.520 0.554 1.00 74.32 H new ATOM 1157 N PHE A 67 12.327 -16.491 -1.974 1.00 75.34 N ATOM 1158 CA PHE A 67 12.579 -16.456 -3.410 1.00 75.33 C ATOM 1159 C PHE A 67 12.793 -17.864 -3.959 1.00 44.32 C ATOM 1160 O PHE A 67 13.922 -18.348 -4.027 1.00 24.11 O ATOM 1161 CB PHE A 67 13.800 -15.586 -3.714 1.00 71.21 C ATOM 1162 CG PHE A 67 13.560 -14.120 -3.496 1.00 4.40 C ATOM 1163 CD1 PHE A 67 12.280 -13.639 -3.275 1.00 10.42 C ATOM 1164 CD2 PHE A 67 14.616 -13.222 -3.513 1.00 13.24 C ATOM 1165 CE1 PHE A 67 12.056 -12.290 -3.073 1.00 41.44 C ATOM 1166 CE2 PHE A 67 14.398 -11.872 -3.311 1.00 51.03 C ATOM 1167 CZ PHE A 67 13.117 -11.405 -3.093 1.00 35.13 C ATOM 0 H PHE A 67 13.134 -16.758 -1.410 1.00 75.34 H new ATOM 0 HA PHE A 67 11.704 -16.024 -3.897 1.00 75.33 H new ATOM 0 HB2 PHE A 67 14.631 -15.907 -3.086 1.00 71.21 H new ATOM 0 HB3 PHE A 67 14.102 -15.747 -4.749 1.00 71.21 H new ATOM 0 HD1 PHE A 67 11.447 -14.326 -3.260 1.00 10.42 H new ATOM 0 HD2 PHE A 67 15.620 -13.581 -3.686 1.00 13.24 H new ATOM 0 HE1 PHE A 67 11.053 -11.928 -2.900 1.00 41.44 H new ATOM 0 HE2 PHE A 67 15.229 -11.183 -3.324 1.00 51.03 H new ATOM 0 HZ PHE A 67 12.945 -10.350 -2.938 1.00 35.13 H new