USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=13 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 Single : A 3 LYS NZ :NH3+ 155:sc= -0.0628 (180deg=-0.522) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 TYR OH : rot -32:sc= 1.28 USER MOD Single : A 9 SER OG : rot -170:sc= -0.615 USER MOD Single : A 13 THR OG1 : rot -32:sc= 0.0364 USER MOD Single : A 14 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.69) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.558 (180deg=-0.713) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.065 USER MOD Single : A 32 HIS : no HE2:sc= 0.411 K(o=0.41,f=-2.7!) USER MOD Single : A 34 SER OG : rot -140:sc= -0.0577 USER MOD Single : A 39 GLN : amide:sc= -1.71 K(o=-1.7,f=-3.8!) USER MOD Single : A 44 MET CE :methyl 143:sc= -5.34! (180deg=-8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0397 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ -140:sc= -2.89 (180deg=-4.57!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= -0.0246 (180deg=-0.169) USER MOD ----------------------------------------------------------------- ATOM 39 N LYS A 3 0.240 -5.748 -1.485 1.00 54.24 N ATOM 40 CA LYS A 3 -0.763 -6.606 -0.865 1.00 51.32 C ATOM 41 C LYS A 3 -0.109 -7.620 0.068 1.00 75.13 C ATOM 42 O LYS A 3 0.604 -8.519 -0.380 1.00 10.44 O ATOM 43 CB LYS A 3 -1.576 -7.334 -1.939 1.00 4.54 C ATOM 44 CG LYS A 3 -2.873 -7.929 -1.420 1.00 21.43 C ATOM 45 CD LYS A 3 -3.906 -8.065 -2.526 1.00 0.33 C ATOM 46 CE LYS A 3 -5.238 -7.450 -2.123 1.00 4.12 C ATOM 47 NZ LYS A 3 -5.110 -5.996 -1.826 1.00 31.22 N ATOM 0 HA LYS A 3 -1.431 -5.976 -0.278 1.00 51.32 H new ATOM 0 HB2 LYS A 3 -1.803 -6.637 -2.746 1.00 4.54 H new ATOM 0 HB3 LYS A 3 -0.967 -8.130 -2.367 1.00 4.54 H new ATOM 0 HG2 LYS A 3 -2.676 -8.908 -0.983 1.00 21.43 H new ATOM 0 HG3 LYS A 3 -3.271 -7.299 -0.625 1.00 21.43 H new ATOM 0 HD2 LYS A 3 -3.539 -7.580 -3.430 1.00 0.33 H new ATOM 0 HD3 LYS A 3 -4.048 -9.119 -2.765 1.00 0.33 H new ATOM 0 HE2 LYS A 3 -5.962 -7.595 -2.925 1.00 4.12 H new ATOM 0 HE3 LYS A 3 -5.626 -7.967 -1.246 1.00 4.12 H new ATOM 0 HZ1 LYS A 3 -6.028 -5.530 -1.971 1.00 31.22 H new ATOM 0 HZ2 LYS A 3 -4.809 -5.869 -0.839 1.00 31.22 H new ATOM 0 HZ3 LYS A 3 -4.403 -5.573 -2.461 1.00 31.22 H new ATOM 61 N ILE A 4 -0.359 -7.471 1.364 1.00 24.12 N ATOM 62 CA ILE A 4 0.204 -8.376 2.359 1.00 71.23 C ATOM 63 C ILE A 4 -0.287 -9.804 2.143 1.00 12.41 C ATOM 64 O ILE A 4 -1.411 -10.147 2.512 1.00 63.14 O ATOM 65 CB ILE A 4 -0.154 -7.933 3.790 1.00 43.24 C ATOM 66 CG1 ILE A 4 0.245 -6.472 4.009 1.00 53.11 C ATOM 67 CG2 ILE A 4 0.529 -8.832 4.809 1.00 30.50 C ATOM 68 CD1 ILE A 4 1.727 -6.219 3.848 1.00 25.41 C ATOM 0 H ILE A 4 -0.947 -6.733 1.750 1.00 24.12 H new ATOM 0 HA ILE A 4 1.287 -8.344 2.238 1.00 71.23 H new ATOM 0 HB ILE A 4 -1.232 -8.020 3.923 1.00 43.24 H new ATOM 0 HG12 ILE A 4 -0.301 -5.845 3.304 1.00 53.11 H new ATOM 0 HG13 ILE A 4 -0.061 -6.167 5.010 1.00 53.11 H new ATOM 0 HG21 ILE A 4 0.266 -8.506 5.815 1.00 30.50 H new ATOM 0 HG22 ILE A 4 0.201 -9.861 4.664 1.00 30.50 H new ATOM 0 HG23 ILE A 4 1.610 -8.774 4.679 1.00 30.50 H new ATOM 0 HD11 ILE A 4 1.936 -5.163 4.017 1.00 25.41 H new ATOM 0 HD12 ILE A 4 2.279 -6.819 4.571 1.00 25.41 H new ATOM 0 HD13 ILE A 4 2.035 -6.493 2.839 1.00 25.41 H new ATOM 80 N TYR A 5 0.562 -10.632 1.546 1.00 44.45 N ATOM 81 CA TYR A 5 0.215 -12.023 1.280 1.00 1.41 C ATOM 82 C TYR A 5 0.700 -12.930 2.407 1.00 51.30 C ATOM 83 O TYR A 5 1.579 -12.573 3.191 1.00 4.01 O ATOM 84 CB TYR A 5 0.819 -12.476 -0.050 1.00 51.01 C ATOM 85 CG TYR A 5 -0.069 -12.201 -1.243 1.00 3.00 C ATOM 86 CD1 TYR A 5 -1.391 -12.626 -1.263 1.00 31.52 C ATOM 87 CD2 TYR A 5 0.415 -11.515 -2.350 1.00 3.40 C ATOM 88 CE1 TYR A 5 -2.205 -12.378 -2.351 1.00 31.01 C ATOM 89 CE2 TYR A 5 -0.392 -11.260 -3.442 1.00 20.32 C ATOM 90 CZ TYR A 5 -1.701 -11.694 -3.438 1.00 32.53 C ATOM 91 OH TYR A 5 -2.509 -11.444 -4.523 1.00 13.31 O ATOM 0 H TYR A 5 1.496 -10.364 1.237 1.00 44.45 H new ATOM 0 HA TYR A 5 -0.871 -12.095 1.221 1.00 1.41 H new ATOM 0 HB2 TYR A 5 1.775 -11.973 -0.195 1.00 51.01 H new ATOM 0 HB3 TYR A 5 1.026 -13.545 -0.000 1.00 51.01 H new ATOM 0 HD1 TYR A 5 -1.790 -13.160 -0.413 1.00 31.52 H new ATOM 0 HD2 TYR A 5 1.440 -11.175 -2.357 1.00 3.40 H new ATOM 0 HE1 TYR A 5 -3.230 -12.718 -2.351 1.00 31.01 H new ATOM 0 HE2 TYR A 5 -0.000 -10.724 -4.294 1.00 20.32 H new ATOM 0 HH TYR A 5 -3.439 -11.360 -4.226 1.00 13.31 H new ATOM 101 N PRO A 6 0.113 -14.133 2.490 1.00 0.13 N ATOM 102 CA PRO A 6 0.469 -15.118 3.516 1.00 11.21 C ATOM 103 C PRO A 6 1.860 -15.703 3.300 1.00 5.32 C ATOM 104 O PRO A 6 2.232 -16.048 2.178 1.00 30.34 O ATOM 105 CB PRO A 6 -0.598 -16.203 3.352 1.00 55.33 C ATOM 106 CG PRO A 6 -1.043 -16.085 1.935 1.00 52.23 C ATOM 107 CD PRO A 6 -0.943 -14.625 1.589 1.00 3.22 C ATOM 0 HA PRO A 6 0.498 -14.676 4.512 1.00 11.21 H new ATOM 0 HB2 PRO A 6 -0.191 -17.193 3.558 1.00 55.33 H new ATOM 0 HB3 PRO A 6 -1.428 -16.050 4.042 1.00 55.33 H new ATOM 0 HG2 PRO A 6 -0.415 -16.686 1.277 1.00 52.23 H new ATOM 0 HG3 PRO A 6 -2.065 -16.445 1.816 1.00 52.23 H new ATOM 0 HD2 PRO A 6 -0.679 -14.477 0.542 1.00 3.22 H new ATOM 0 HD3 PRO A 6 -1.887 -14.107 1.756 1.00 3.22 H new ATOM 115 N TYR A 7 2.626 -15.811 4.381 1.00 75.13 N ATOM 116 CA TYR A 7 3.977 -16.353 4.309 1.00 44.33 C ATOM 117 C TYR A 7 3.950 -17.850 4.020 1.00 74.42 C ATOM 118 O TYR A 7 4.833 -18.381 3.346 1.00 51.54 O ATOM 119 CB TYR A 7 4.726 -16.088 5.616 1.00 14.13 C ATOM 120 CG TYR A 7 6.087 -16.743 5.678 1.00 32.34 C ATOM 121 CD1 TYR A 7 7.172 -16.202 5.000 1.00 31.32 C ATOM 122 CD2 TYR A 7 6.288 -17.903 6.416 1.00 32.44 C ATOM 123 CE1 TYR A 7 8.417 -16.798 5.054 1.00 70.34 C ATOM 124 CE2 TYR A 7 7.530 -18.505 6.477 1.00 73.42 C ATOM 125 CZ TYR A 7 8.591 -17.949 5.793 1.00 30.43 C ATOM 126 OH TYR A 7 9.830 -18.545 5.850 1.00 20.32 O ATOM 0 H TYR A 7 2.334 -15.530 5.317 1.00 75.13 H new ATOM 0 HA TYR A 7 4.497 -15.854 3.492 1.00 44.33 H new ATOM 0 HB2 TYR A 7 4.844 -15.012 5.746 1.00 14.13 H new ATOM 0 HB3 TYR A 7 4.122 -16.445 6.450 1.00 14.13 H new ATOM 0 HD1 TYR A 7 7.040 -15.300 4.421 1.00 31.32 H new ATOM 0 HD2 TYR A 7 5.459 -18.342 6.951 1.00 32.44 H new ATOM 0 HE1 TYR A 7 9.250 -16.365 4.520 1.00 70.34 H new ATOM 0 HE2 TYR A 7 7.669 -19.405 7.057 1.00 73.42 H new ATOM 0 HH TYR A 7 10.303 -18.398 5.005 1.00 20.32 H new ATOM 136 N ASP A 8 2.929 -18.527 4.535 1.00 54.53 N ATOM 137 CA ASP A 8 2.783 -19.963 4.332 1.00 72.34 C ATOM 138 C ASP A 8 2.566 -20.284 2.856 1.00 32.32 C ATOM 139 O ASP A 8 2.973 -21.341 2.374 1.00 23.12 O ATOM 140 CB ASP A 8 1.615 -20.501 5.160 1.00 24.25 C ATOM 141 CG ASP A 8 0.366 -19.654 5.019 1.00 60.12 C ATOM 142 OD1 ASP A 8 0.342 -18.535 5.573 1.00 63.43 O ATOM 143 OD2 ASP A 8 -0.588 -20.110 4.355 1.00 74.43 O ATOM 0 H ASP A 8 2.190 -18.104 5.096 1.00 54.53 H new ATOM 0 HA ASP A 8 3.703 -20.446 4.659 1.00 72.34 H new ATOM 0 HB2 ASP A 8 1.394 -21.523 4.850 1.00 24.25 H new ATOM 0 HB3 ASP A 8 1.906 -20.542 6.210 1.00 24.25 H new ATOM 148 N SER A 9 1.920 -19.366 2.145 1.00 44.34 N ATOM 149 CA SER A 9 1.645 -19.553 0.725 1.00 73.00 C ATOM 150 C SER A 9 2.708 -18.870 -0.130 1.00 11.13 C ATOM 151 O SER A 9 2.941 -19.254 -1.277 1.00 31.45 O ATOM 152 CB SER A 9 0.261 -19.001 0.375 1.00 22.34 C ATOM 153 OG SER A 9 -0.578 -18.969 1.517 1.00 52.13 O ATOM 0 H SER A 9 1.577 -18.485 2.529 1.00 44.34 H new ATOM 0 HA SER A 9 1.667 -20.622 0.514 1.00 73.00 H new ATOM 0 HB2 SER A 9 0.360 -17.996 -0.036 1.00 22.34 H new ATOM 0 HB3 SER A 9 -0.196 -19.618 -0.399 1.00 22.34 H new ATOM 0 HG SER A 9 -1.496 -18.765 1.243 1.00 52.13 H new ATOM 159 N LEU A 10 3.350 -17.854 0.437 1.00 62.34 N ATOM 160 CA LEU A 10 4.390 -17.116 -0.272 1.00 52.11 C ATOM 161 C LEU A 10 5.678 -17.929 -0.350 1.00 41.41 C ATOM 162 O LEU A 10 6.390 -17.886 -1.354 1.00 22.41 O ATOM 163 CB LEU A 10 4.657 -15.780 0.423 1.00 45.33 C ATOM 164 CG LEU A 10 3.878 -14.577 -0.111 1.00 72.51 C ATOM 165 CD1 LEU A 10 4.202 -13.330 0.696 1.00 34.02 C ATOM 166 CD2 LEU A 10 4.184 -14.355 -1.585 1.00 73.32 C ATOM 0 H LEU A 10 3.169 -17.523 1.385 1.00 62.34 H new ATOM 0 HA LEU A 10 4.040 -16.927 -1.287 1.00 52.11 H new ATOM 0 HB2 LEU A 10 4.430 -15.893 1.483 1.00 45.33 H new ATOM 0 HB3 LEU A 10 5.722 -15.560 0.347 1.00 45.33 H new ATOM 0 HG LEU A 10 2.813 -14.784 -0.009 1.00 72.51 H new ATOM 0 HD11 LEU A 10 3.638 -12.485 0.301 1.00 34.02 H new ATOM 0 HD12 LEU A 10 3.931 -13.491 1.739 1.00 34.02 H new ATOM 0 HD13 LEU A 10 5.269 -13.119 0.627 1.00 34.02 H new ATOM 0 HD21 LEU A 10 3.621 -13.495 -1.948 1.00 73.32 H new ATOM 0 HD22 LEU A 10 5.251 -14.170 -1.711 1.00 73.32 H new ATOM 0 HD23 LEU A 10 3.900 -15.241 -2.153 1.00 73.32 H new ATOM 178 N ILE A 11 5.970 -18.669 0.714 1.00 11.20 N ATOM 179 CA ILE A 11 7.171 -19.494 0.764 1.00 14.32 C ATOM 180 C ILE A 11 7.276 -20.387 -0.468 1.00 10.54 C ATOM 181 O ILE A 11 6.363 -21.154 -0.771 1.00 54.04 O ATOM 182 CB ILE A 11 7.196 -20.375 2.027 1.00 74.21 C ATOM 183 CG1 ILE A 11 5.865 -21.113 2.187 1.00 53.12 C ATOM 184 CG2 ILE A 11 7.490 -19.530 3.257 1.00 1.01 C ATOM 185 CD1 ILE A 11 5.807 -21.996 3.414 1.00 52.41 C ATOM 0 H ILE A 11 5.392 -18.714 1.553 1.00 11.20 H new ATOM 0 HA ILE A 11 8.022 -18.813 0.789 1.00 14.32 H new ATOM 0 HB ILE A 11 7.990 -21.114 1.920 1.00 74.21 H new ATOM 0 HG12 ILE A 11 5.058 -20.382 2.237 1.00 53.12 H new ATOM 0 HG13 ILE A 11 5.689 -21.723 1.301 1.00 53.12 H new ATOM 0 HG21 ILE A 11 7.504 -20.167 4.141 1.00 1.01 H new ATOM 0 HG22 ILE A 11 8.460 -19.046 3.143 1.00 1.01 H new ATOM 0 HG23 ILE A 11 6.717 -18.770 3.370 1.00 1.01 H new ATOM 0 HD11 ILE A 11 4.835 -22.487 3.463 1.00 52.41 H new ATOM 0 HD12 ILE A 11 6.592 -22.750 3.357 1.00 52.41 H new ATOM 0 HD13 ILE A 11 5.951 -21.388 4.307 1.00 52.41 H new ATOM 197 N VAL A 12 8.398 -20.282 -1.173 1.00 73.12 N ATOM 198 CA VAL A 12 8.625 -21.082 -2.371 1.00 32.12 C ATOM 199 C VAL A 12 8.607 -22.572 -2.048 1.00 51.10 C ATOM 200 O VAL A 12 8.357 -23.405 -2.920 1.00 33.12 O ATOM 201 CB VAL A 12 9.968 -20.728 -3.036 1.00 23.13 C ATOM 202 CG1 VAL A 12 10.061 -19.231 -3.290 1.00 34.34 C ATOM 203 CG2 VAL A 12 11.129 -21.204 -2.176 1.00 25.10 C ATOM 0 H VAL A 12 9.164 -19.651 -0.935 1.00 73.12 H new ATOM 0 HA VAL A 12 7.814 -20.853 -3.063 1.00 32.12 H new ATOM 0 HB VAL A 12 10.023 -21.239 -3.997 1.00 23.13 H new ATOM 0 HG11 VAL A 12 11.017 -19.000 -3.760 1.00 34.34 H new ATOM 0 HG12 VAL A 12 9.249 -18.923 -3.948 1.00 34.34 H new ATOM 0 HG13 VAL A 12 9.984 -18.696 -2.344 1.00 34.34 H new ATOM 0 HG21 VAL A 12 12.071 -20.946 -2.661 1.00 25.10 H new ATOM 0 HG22 VAL A 12 11.080 -20.723 -1.199 1.00 25.10 H new ATOM 0 HG23 VAL A 12 11.070 -22.285 -2.051 1.00 25.10 H new ATOM 213 N THR A 13 8.874 -22.902 -0.788 1.00 75.31 N ATOM 214 CA THR A 13 8.889 -24.292 -0.349 1.00 51.13 C ATOM 215 C THR A 13 7.535 -24.955 -0.576 1.00 21.11 C ATOM 216 O THR A 13 7.433 -26.180 -0.616 1.00 33.35 O ATOM 217 CB THR A 13 9.261 -24.406 1.141 1.00 33.32 C ATOM 218 OG1 THR A 13 9.315 -25.784 1.528 1.00 1.12 O ATOM 219 CG2 THR A 13 8.251 -23.670 2.009 1.00 41.02 C ATOM 0 H THR A 13 9.083 -22.225 -0.054 1.00 75.31 H new ATOM 0 HA THR A 13 9.645 -24.804 -0.945 1.00 51.13 H new ATOM 0 HB THR A 13 10.240 -23.950 1.284 1.00 33.32 H new ATOM 0 HG1 THR A 13 8.665 -26.297 1.004 1.00 1.12 H new ATOM 0 HG21 THR A 13 8.535 -23.765 3.057 1.00 41.02 H new ATOM 0 HG22 THR A 13 8.233 -22.616 1.732 1.00 41.02 H new ATOM 0 HG23 THR A 13 7.261 -24.101 1.861 1.00 41.02 H new ATOM 227 N ASN A 14 6.498 -24.137 -0.725 1.00 22.12 N ATOM 228 CA ASN A 14 5.150 -24.645 -0.948 1.00 34.41 C ATOM 229 C ASN A 14 4.788 -24.596 -2.429 1.00 71.43 C ATOM 230 O ASN A 14 3.633 -24.799 -2.804 1.00 32.23 O ATOM 231 CB ASN A 14 4.136 -23.835 -0.137 1.00 21.41 C ATOM 232 CG ASN A 14 3.678 -24.566 1.111 1.00 50.33 C ATOM 233 OD1 ASN A 14 4.434 -24.712 2.071 1.00 3.30 O ATOM 234 ND2 ASN A 14 2.433 -25.029 1.101 1.00 5.15 N ATOM 0 H ASN A 14 6.566 -23.120 -0.695 1.00 22.12 H new ATOM 0 HA ASN A 14 5.122 -25.684 -0.619 1.00 34.41 H new ATOM 0 HB2 ASN A 14 4.580 -22.881 0.146 1.00 21.41 H new ATOM 0 HB3 ASN A 14 3.271 -23.611 -0.762 1.00 21.41 H new ATOM 0 HD21 ASN A 14 2.068 -25.529 1.912 1.00 5.15 H new ATOM 0 HD22 ASN A 14 1.842 -24.885 0.283 1.00 5.15 H new ATOM 241 N ARG A 15 5.784 -24.326 -3.267 1.00 75.42 N ATOM 242 CA ARG A 15 5.571 -24.250 -4.707 1.00 75.25 C ATOM 243 C ARG A 15 4.858 -25.499 -5.219 1.00 23.14 C ATOM 244 O ARG A 15 4.127 -25.447 -6.208 1.00 31.21 O ATOM 245 CB ARG A 15 6.906 -24.078 -5.434 1.00 20.54 C ATOM 246 CG ARG A 15 7.367 -22.633 -5.528 1.00 33.13 C ATOM 247 CD ARG A 15 8.841 -22.541 -5.890 1.00 53.32 C ATOM 248 NE ARG A 15 9.183 -23.405 -7.017 1.00 34.14 N ATOM 249 CZ ARG A 15 10.430 -23.673 -7.385 1.00 64.10 C ATOM 250 NH1 ARG A 15 11.449 -23.147 -6.719 1.00 62.03 N ATOM 251 NH2 ARG A 15 10.661 -24.469 -8.421 1.00 70.31 N ATOM 0 H ARG A 15 6.746 -24.156 -2.973 1.00 75.42 H new ATOM 0 HA ARG A 15 4.941 -23.384 -4.910 1.00 75.25 H new ATOM 0 HB2 ARG A 15 7.669 -24.661 -4.918 1.00 20.54 H new ATOM 0 HB3 ARG A 15 6.818 -24.488 -6.440 1.00 20.54 H new ATOM 0 HG2 ARG A 15 6.774 -22.109 -6.277 1.00 33.13 H new ATOM 0 HG3 ARG A 15 7.193 -22.132 -4.576 1.00 33.13 H new ATOM 0 HD2 ARG A 15 9.090 -21.509 -6.136 1.00 53.32 H new ATOM 0 HD3 ARG A 15 9.445 -22.817 -5.025 1.00 53.32 H new ATOM 0 HE ARG A 15 8.422 -23.825 -7.550 1.00 34.14 H new ATOM 0 HH11 ARG A 15 11.276 -22.535 -5.922 1.00 62.03 H new ATOM 0 HH12 ARG A 15 12.406 -23.355 -7.004 1.00 62.03 H new ATOM 0 HH21 ARG A 15 9.880 -24.876 -8.936 1.00 70.31 H new ATOM 0 HH22 ARG A 15 11.620 -24.674 -8.703 1.00 70.31 H new ATOM 265 N ILE A 16 5.078 -26.619 -4.538 1.00 73.13 N ATOM 266 CA ILE A 16 4.457 -27.880 -4.923 1.00 75.34 C ATOM 267 C ILE A 16 2.981 -27.905 -4.541 1.00 75.31 C ATOM 268 O ILE A 16 2.153 -28.469 -5.257 1.00 51.14 O ATOM 269 CB ILE A 16 5.165 -29.080 -4.268 1.00 24.21 C ATOM 270 CG1 ILE A 16 4.523 -30.392 -4.725 1.00 0.44 C ATOM 271 CG2 ILE A 16 5.117 -28.960 -2.752 1.00 64.30 C ATOM 272 CD1 ILE A 16 4.542 -30.583 -6.225 1.00 34.20 C ATOM 0 H ILE A 16 5.681 -26.679 -3.718 1.00 73.13 H new ATOM 0 HA ILE A 16 4.551 -27.960 -6.006 1.00 75.34 H new ATOM 0 HB ILE A 16 6.209 -29.081 -4.580 1.00 24.21 H new ATOM 0 HG12 ILE A 16 5.044 -31.226 -4.254 1.00 0.44 H new ATOM 0 HG13 ILE A 16 3.491 -30.423 -4.376 1.00 0.44 H new ATOM 0 HG21 ILE A 16 5.622 -29.816 -2.303 1.00 64.30 H new ATOM 0 HG22 ILE A 16 5.616 -28.041 -2.444 1.00 64.30 H new ATOM 0 HG23 ILE A 16 4.079 -28.937 -2.422 1.00 64.30 H new ATOM 0 HD11 ILE A 16 4.071 -31.533 -6.477 1.00 34.20 H new ATOM 0 HD12 ILE A 16 3.996 -29.769 -6.702 1.00 34.20 H new ATOM 0 HD13 ILE A 16 5.573 -30.584 -6.579 1.00 34.20 H new ATOM 284 N ARG A 17 2.658 -27.289 -3.409 1.00 33.44 N ATOM 285 CA ARG A 17 1.281 -27.240 -2.931 1.00 70.32 C ATOM 286 C ARG A 17 0.467 -26.221 -3.723 1.00 1.34 C ATOM 287 O ARG A 17 -0.611 -26.530 -4.229 1.00 73.14 O ATOM 288 CB ARG A 17 1.247 -26.891 -1.442 1.00 42.23 C ATOM 289 CG ARG A 17 2.288 -27.631 -0.619 1.00 23.50 C ATOM 290 CD ARG A 17 2.197 -29.135 -0.828 1.00 45.13 C ATOM 291 NE ARG A 17 3.168 -29.861 -0.013 1.00 14.32 N ATOM 292 CZ ARG A 17 3.164 -31.181 0.132 1.00 23.10 C ATOM 293 NH1 ARG A 17 2.247 -31.916 -0.481 1.00 60.31 N ATOM 294 NH2 ARG A 17 4.080 -31.769 0.891 1.00 3.22 N ATOM 0 H ARG A 17 3.331 -26.817 -2.805 1.00 33.44 H new ATOM 0 HA ARG A 17 0.837 -28.225 -3.076 1.00 70.32 H new ATOM 0 HB2 ARG A 17 1.400 -25.818 -1.325 1.00 42.23 H new ATOM 0 HB3 ARG A 17 0.256 -27.117 -1.047 1.00 42.23 H new ATOM 0 HG2 ARG A 17 3.284 -27.284 -0.893 1.00 23.50 H new ATOM 0 HG3 ARG A 17 2.150 -27.400 0.437 1.00 23.50 H new ATOM 0 HD2 ARG A 17 1.191 -29.475 -0.582 1.00 45.13 H new ATOM 0 HD3 ARG A 17 2.363 -29.365 -1.880 1.00 45.13 H new ATOM 0 HE ARG A 17 3.888 -29.325 0.471 1.00 14.32 H new ATOM 0 HH11 ARG A 17 1.542 -31.468 -1.066 1.00 60.31 H new ATOM 0 HH12 ARG A 17 2.247 -32.930 -0.368 1.00 60.31 H new ATOM 0 HH21 ARG A 17 4.788 -31.207 1.364 1.00 3.22 H new ATOM 0 HH22 ARG A 17 4.076 -32.783 1.002 1.00 3.22 H new ATOM 308 N VAL A 18 0.991 -25.003 -3.824 1.00 60.20 N ATOM 309 CA VAL A 18 0.314 -23.938 -4.554 1.00 10.02 C ATOM 310 C VAL A 18 1.313 -22.922 -5.096 1.00 62.31 C ATOM 311 O VAL A 18 2.369 -22.696 -4.504 1.00 54.41 O ATOM 312 CB VAL A 18 -0.709 -23.210 -3.662 1.00 54.55 C ATOM 313 CG1 VAL A 18 -0.008 -22.498 -2.516 1.00 1.22 C ATOM 314 CG2 VAL A 18 -1.531 -22.229 -4.486 1.00 63.45 C ATOM 0 H VAL A 18 1.882 -24.730 -3.409 1.00 60.20 H new ATOM 0 HA VAL A 18 -0.210 -24.408 -5.387 1.00 10.02 H new ATOM 0 HB VAL A 18 -1.386 -23.951 -3.237 1.00 54.55 H new ATOM 0 HG11 VAL A 18 -0.747 -21.990 -1.897 1.00 1.22 H new ATOM 0 HG12 VAL A 18 0.532 -23.226 -1.911 1.00 1.22 H new ATOM 0 HG13 VAL A 18 0.694 -21.767 -2.917 1.00 1.22 H new ATOM 0 HG21 VAL A 18 -2.249 -21.723 -3.840 1.00 63.45 H new ATOM 0 HG22 VAL A 18 -0.869 -21.492 -4.940 1.00 63.45 H new ATOM 0 HG23 VAL A 18 -2.064 -22.769 -5.269 1.00 63.45 H new ATOM 324 N LYS A 19 0.973 -22.312 -6.226 1.00 45.24 N ATOM 325 CA LYS A 19 1.839 -21.318 -6.850 1.00 1.34 C ATOM 326 C LYS A 19 1.417 -19.906 -6.456 1.00 42.32 C ATOM 327 O LYS A 19 0.259 -19.666 -6.112 1.00 22.04 O ATOM 328 CB LYS A 19 1.806 -21.466 -8.372 1.00 40.45 C ATOM 329 CG LYS A 19 2.184 -22.855 -8.857 1.00 42.50 C ATOM 330 CD LYS A 19 0.957 -23.725 -9.067 1.00 72.31 C ATOM 331 CE LYS A 19 1.254 -25.188 -8.772 1.00 13.51 C ATOM 332 NZ LYS A 19 1.162 -25.489 -7.316 1.00 61.25 N ATOM 0 H LYS A 19 0.103 -22.488 -6.729 1.00 45.24 H new ATOM 0 HA LYS A 19 2.857 -21.486 -6.497 1.00 1.34 H new ATOM 0 HB2 LYS A 19 0.805 -21.225 -8.730 1.00 40.45 H new ATOM 0 HB3 LYS A 19 2.487 -20.738 -8.814 1.00 40.45 H new ATOM 0 HG2 LYS A 19 2.740 -22.776 -9.791 1.00 42.50 H new ATOM 0 HG3 LYS A 19 2.846 -23.327 -8.131 1.00 42.50 H new ATOM 0 HD2 LYS A 19 0.150 -23.379 -8.422 1.00 72.31 H new ATOM 0 HD3 LYS A 19 0.609 -23.623 -10.095 1.00 72.31 H new ATOM 0 HE2 LYS A 19 0.553 -25.819 -9.318 1.00 13.51 H new ATOM 0 HE3 LYS A 19 2.253 -25.436 -9.132 1.00 13.51 H new ATOM 0 HZ1 LYS A 19 1.579 -26.423 -7.128 1.00 61.25 H new ATOM 0 HZ2 LYS A 19 1.679 -24.764 -6.778 1.00 61.25 H new ATOM 0 HZ3 LYS A 19 0.164 -25.490 -7.024 1.00 61.25 H new ATOM 346 N LEU A 20 2.363 -18.974 -6.511 1.00 15.01 N ATOM 347 CA LEU A 20 2.088 -17.584 -6.162 1.00 23.44 C ATOM 348 C LEU A 20 1.037 -16.987 -7.091 1.00 40.52 C ATOM 349 O LEU A 20 0.866 -17.415 -8.233 1.00 5.03 O ATOM 350 CB LEU A 20 3.374 -16.758 -6.228 1.00 53.14 C ATOM 351 CG LEU A 20 4.473 -17.145 -5.238 1.00 72.24 C ATOM 352 CD1 LEU A 20 5.823 -16.628 -5.710 1.00 52.23 C ATOM 353 CD2 LEU A 20 4.151 -16.613 -3.850 1.00 4.35 C ATOM 0 H LEU A 20 3.326 -19.155 -6.794 1.00 15.01 H new ATOM 0 HA LEU A 20 1.700 -17.560 -5.144 1.00 23.44 H new ATOM 0 HB2 LEU A 20 3.779 -16.834 -7.237 1.00 53.14 H new ATOM 0 HB3 LEU A 20 3.118 -15.711 -6.065 1.00 53.14 H new ATOM 0 HG LEU A 20 4.522 -18.233 -5.186 1.00 72.24 H new ATOM 0 HD11 LEU A 20 6.593 -16.913 -4.993 1.00 52.23 H new ATOM 0 HD12 LEU A 20 6.057 -17.058 -6.684 1.00 52.23 H new ATOM 0 HD13 LEU A 20 5.788 -15.542 -5.792 1.00 52.23 H new ATOM 0 HD21 LEU A 20 4.944 -16.898 -3.158 1.00 4.35 H new ATOM 0 HD22 LEU A 20 4.074 -15.526 -3.886 1.00 4.35 H new ATOM 0 HD23 LEU A 20 3.204 -17.033 -3.510 1.00 4.35 H new ATOM 365 N PRO A 21 0.316 -15.971 -6.594 1.00 13.03 N ATOM 366 CA PRO A 21 -0.729 -15.290 -7.364 1.00 74.41 C ATOM 367 C PRO A 21 -0.158 -14.455 -8.504 1.00 42.23 C ATOM 368 O PRO A 21 1.030 -14.540 -8.815 1.00 44.24 O ATOM 369 CB PRO A 21 -1.405 -14.389 -6.327 1.00 64.31 C ATOM 370 CG PRO A 21 -0.358 -14.152 -5.293 1.00 54.44 C ATOM 371 CD PRO A 21 0.465 -15.409 -5.241 1.00 42.40 C ATOM 0 HA PRO A 21 -1.408 -15.996 -7.842 1.00 74.41 H new ATOM 0 HB2 PRO A 21 -1.740 -13.453 -6.774 1.00 64.31 H new ATOM 0 HB3 PRO A 21 -2.284 -14.870 -5.898 1.00 64.31 H new ATOM 0 HG2 PRO A 21 0.259 -13.292 -5.553 1.00 54.44 H new ATOM 0 HG3 PRO A 21 -0.808 -13.940 -4.323 1.00 54.44 H new ATOM 0 HD2 PRO A 21 1.508 -15.197 -5.007 1.00 42.40 H new ATOM 0 HD3 PRO A 21 0.100 -16.097 -4.478 1.00 42.40 H new ATOM 379 N LYS A 22 -1.011 -13.647 -9.125 1.00 2.43 N ATOM 380 CA LYS A 22 -0.591 -12.793 -10.230 1.00 31.30 C ATOM 381 C LYS A 22 -0.236 -11.395 -9.734 1.00 24.54 C ATOM 382 O LYS A 22 0.682 -10.758 -10.251 1.00 13.55 O ATOM 383 CB LYS A 22 -1.698 -12.706 -11.283 1.00 13.12 C ATOM 384 CG LYS A 22 -2.920 -11.933 -10.818 1.00 34.34 C ATOM 385 CD LYS A 22 -4.204 -12.543 -11.355 1.00 61.53 C ATOM 386 CE LYS A 22 -4.465 -13.915 -10.751 1.00 43.15 C ATOM 387 NZ LYS A 22 -5.073 -14.849 -11.739 1.00 24.20 N ATOM 0 H LYS A 22 -1.998 -13.566 -8.882 1.00 2.43 H new ATOM 0 HA LYS A 22 0.297 -13.236 -10.680 1.00 31.30 H new ATOM 0 HB2 LYS A 22 -1.298 -12.233 -12.180 1.00 13.12 H new ATOM 0 HB3 LYS A 22 -2.001 -13.715 -11.563 1.00 13.12 H new ATOM 0 HG2 LYS A 22 -2.950 -11.920 -9.729 1.00 34.34 H new ATOM 0 HG3 LYS A 22 -2.843 -10.897 -11.147 1.00 34.34 H new ATOM 0 HD2 LYS A 22 -5.042 -11.882 -11.134 1.00 61.53 H new ATOM 0 HD3 LYS A 22 -4.142 -12.628 -12.440 1.00 61.53 H new ATOM 0 HE2 LYS A 22 -3.528 -14.334 -10.384 1.00 43.15 H new ATOM 0 HE3 LYS A 22 -5.128 -13.813 -9.892 1.00 43.15 H new ATOM 0 HZ1 LYS A 22 -5.235 -15.773 -11.289 1.00 24.20 H new ATOM 0 HZ2 LYS A 22 -5.979 -14.461 -12.071 1.00 24.20 H new ATOM 0 HZ3 LYS A 22 -4.430 -14.966 -12.548 1.00 24.20 H new ATOM 401 N ASP A 23 -0.966 -10.926 -8.728 1.00 71.31 N ATOM 402 CA ASP A 23 -0.726 -9.605 -8.160 1.00 41.21 C ATOM 403 C ASP A 23 0.372 -9.659 -7.103 1.00 24.23 C ATOM 404 O ASP A 23 0.194 -9.181 -5.982 1.00 62.23 O ATOM 405 CB ASP A 23 -2.012 -9.048 -7.549 1.00 14.52 C ATOM 406 CG ASP A 23 -3.242 -9.410 -8.358 1.00 32.02 C ATOM 407 OD1 ASP A 23 -3.530 -8.705 -9.347 1.00 62.15 O ATOM 408 OD2 ASP A 23 -3.918 -10.398 -8.001 1.00 24.21 O ATOM 0 H ASP A 23 -1.729 -11.441 -8.289 1.00 71.31 H new ATOM 0 HA ASP A 23 -0.399 -8.945 -8.964 1.00 41.21 H new ATOM 0 HB2 ASP A 23 -2.123 -9.429 -6.534 1.00 14.52 H new ATOM 0 HB3 ASP A 23 -1.936 -7.963 -7.475 1.00 14.52 H new ATOM 413 N VAL A 24 1.508 -10.246 -7.466 1.00 44.24 N ATOM 414 CA VAL A 24 2.636 -10.363 -6.549 1.00 71.05 C ATOM 415 C VAL A 24 3.962 -10.321 -7.301 1.00 11.33 C ATOM 416 O VAL A 24 4.106 -10.929 -8.362 1.00 13.34 O ATOM 417 CB VAL A 24 2.562 -11.667 -5.733 1.00 63.11 C ATOM 418 CG1 VAL A 24 2.846 -12.869 -6.620 1.00 62.45 C ATOM 419 CG2 VAL A 24 3.532 -11.617 -4.562 1.00 60.51 C ATOM 0 H VAL A 24 1.672 -10.648 -8.389 1.00 44.24 H new ATOM 0 HA VAL A 24 2.581 -9.513 -5.868 1.00 71.05 H new ATOM 0 HB VAL A 24 1.552 -11.770 -5.335 1.00 63.11 H new ATOM 0 HG11 VAL A 24 2.789 -13.781 -6.026 1.00 62.45 H new ATOM 0 HG12 VAL A 24 2.109 -12.912 -7.422 1.00 62.45 H new ATOM 0 HG13 VAL A 24 3.844 -12.777 -7.049 1.00 62.45 H new ATOM 0 HG21 VAL A 24 3.467 -12.546 -3.996 1.00 60.51 H new ATOM 0 HG22 VAL A 24 4.548 -11.490 -4.936 1.00 60.51 H new ATOM 0 HG23 VAL A 24 3.277 -10.779 -3.914 1.00 60.51 H new ATOM 429 N ASP A 25 4.928 -9.600 -6.743 1.00 43.45 N ATOM 430 CA ASP A 25 6.244 -9.479 -7.360 1.00 5.23 C ATOM 431 C ASP A 25 7.202 -10.530 -6.807 1.00 0.34 C ATOM 432 O ASP A 25 6.960 -11.108 -5.747 1.00 74.23 O ATOM 433 CB ASP A 25 6.814 -8.079 -7.126 1.00 50.32 C ATOM 434 CG ASP A 25 6.889 -7.722 -5.655 1.00 33.14 C ATOM 435 OD1 ASP A 25 7.457 -8.519 -4.879 1.00 33.24 O ATOM 436 OD2 ASP A 25 6.380 -6.646 -5.279 1.00 11.51 O ATOM 0 H ASP A 25 4.825 -9.091 -5.865 1.00 43.45 H new ATOM 0 HA ASP A 25 6.132 -9.643 -8.432 1.00 5.23 H new ATOM 0 HB2 ASP A 25 7.811 -8.018 -7.563 1.00 50.32 H new ATOM 0 HB3 ASP A 25 6.194 -7.347 -7.643 1.00 50.32 H new ATOM 441 N ARG A 26 8.289 -10.772 -7.531 1.00 44.03 N ATOM 442 CA ARG A 26 9.282 -11.755 -7.114 1.00 41.23 C ATOM 443 C ARG A 26 10.602 -11.077 -6.759 1.00 64.24 C ATOM 444 O ARG A 26 11.415 -11.626 -6.014 1.00 73.42 O ATOM 445 CB ARG A 26 9.507 -12.786 -8.222 1.00 42.51 C ATOM 446 CG ARG A 26 8.221 -13.285 -8.860 1.00 21.03 C ATOM 447 CD ARG A 26 7.337 -13.997 -7.847 1.00 42.44 C ATOM 448 NE ARG A 26 6.062 -14.408 -8.428 1.00 12.01 N ATOM 449 CZ ARG A 26 5.920 -15.472 -9.210 1.00 54.14 C ATOM 450 NH1 ARG A 26 6.968 -16.228 -9.504 1.00 44.00 N ATOM 451 NH2 ARG A 26 4.726 -15.782 -9.701 1.00 1.34 N ATOM 0 H ARG A 26 8.505 -10.301 -8.410 1.00 44.03 H new ATOM 0 HA ARG A 26 8.904 -12.263 -6.227 1.00 41.23 H new ATOM 0 HB2 ARG A 26 10.138 -12.346 -8.994 1.00 42.51 H new ATOM 0 HB3 ARG A 26 10.052 -13.636 -7.811 1.00 42.51 H new ATOM 0 HG2 ARG A 26 7.678 -12.445 -9.292 1.00 21.03 H new ATOM 0 HG3 ARG A 26 8.459 -13.965 -9.678 1.00 21.03 H new ATOM 0 HD2 ARG A 26 7.859 -14.873 -7.462 1.00 42.44 H new ATOM 0 HD3 ARG A 26 7.153 -13.337 -6.999 1.00 42.44 H new ATOM 0 HE ARG A 26 5.235 -13.847 -8.222 1.00 12.01 H new ATOM 0 HH11 ARG A 26 7.887 -15.993 -9.129 1.00 44.00 H new ATOM 0 HH12 ARG A 26 6.855 -17.044 -10.105 1.00 44.00 H new ATOM 0 HH21 ARG A 26 3.917 -15.203 -9.478 1.00 1.34 H new ATOM 0 HH22 ARG A 26 4.618 -16.599 -10.302 1.00 1.34 H new ATOM 465 N THR A 27 10.811 -9.880 -7.298 1.00 50.15 N ATOM 466 CA THR A 27 12.032 -9.128 -7.041 1.00 4.13 C ATOM 467 C THR A 27 12.048 -8.575 -5.620 1.00 41.22 C ATOM 468 O THR A 27 13.056 -8.668 -4.919 1.00 13.20 O ATOM 469 CB THR A 27 12.195 -7.963 -8.035 1.00 2.31 C ATOM 470 OG1 THR A 27 10.911 -7.438 -8.389 1.00 51.02 O ATOM 471 CG2 THR A 27 12.926 -8.419 -9.289 1.00 34.42 C ATOM 0 H THR A 27 10.149 -9.410 -7.916 1.00 50.15 H new ATOM 0 HA THR A 27 12.863 -9.822 -7.168 1.00 4.13 H new ATOM 0 HB THR A 27 12.785 -7.184 -7.553 1.00 2.31 H new ATOM 0 HG1 THR A 27 11.023 -6.697 -9.020 1.00 51.02 H new ATOM 0 HG21 THR A 27 13.029 -7.579 -9.976 1.00 34.42 H new ATOM 0 HG22 THR A 27 13.915 -8.790 -9.019 1.00 34.42 H new ATOM 0 HG23 THR A 27 12.359 -9.215 -9.772 1.00 34.42 H new ATOM 479 N ARG A 28 10.925 -8.000 -5.202 1.00 4.23 N ATOM 480 CA ARG A 28 10.811 -7.431 -3.864 1.00 71.21 C ATOM 481 C ARG A 28 9.586 -7.983 -3.142 1.00 35.43 C ATOM 482 O ARG A 28 8.637 -7.251 -2.858 1.00 34.14 O ATOM 483 CB ARG A 28 10.727 -5.906 -3.941 1.00 13.32 C ATOM 484 CG ARG A 28 11.840 -5.275 -4.760 1.00 43.34 C ATOM 485 CD ARG A 28 13.189 -5.419 -4.072 1.00 53.23 C ATOM 486 NE ARG A 28 14.071 -4.290 -4.356 1.00 64.41 N ATOM 487 CZ ARG A 28 13.873 -3.065 -3.884 1.00 14.12 C ATOM 488 NH1 ARG A 28 12.828 -2.811 -3.108 1.00 75.24 N ATOM 489 NH2 ARG A 28 14.721 -2.090 -4.186 1.00 74.35 N ATOM 0 H ARG A 28 10.082 -7.916 -5.770 1.00 4.23 H new ATOM 0 HA ARG A 28 11.701 -7.711 -3.300 1.00 71.21 H new ATOM 0 HB2 ARG A 28 9.766 -5.625 -4.372 1.00 13.32 H new ATOM 0 HB3 ARG A 28 10.755 -5.498 -2.931 1.00 13.32 H new ATOM 0 HG2 ARG A 28 11.880 -5.744 -5.743 1.00 43.34 H new ATOM 0 HG3 ARG A 28 11.622 -4.219 -4.919 1.00 43.34 H new ATOM 0 HD2 ARG A 28 13.040 -5.501 -2.995 1.00 53.23 H new ATOM 0 HD3 ARG A 28 13.666 -6.343 -4.399 1.00 53.23 H new ATOM 0 HE ARG A 28 14.884 -4.452 -4.950 1.00 64.41 H new ATOM 0 HH11 ARG A 28 12.174 -3.558 -2.873 1.00 75.24 H new ATOM 0 HH12 ARG A 28 12.678 -1.869 -2.747 1.00 75.24 H new ATOM 0 HH21 ARG A 28 15.527 -2.281 -4.782 1.00 74.35 H new ATOM 0 HH22 ARG A 28 14.567 -1.149 -3.822 1.00 74.35 H new ATOM 503 N LEU A 29 9.612 -9.279 -2.848 1.00 3.42 N ATOM 504 CA LEU A 29 8.504 -9.930 -2.159 1.00 14.23 C ATOM 505 C LEU A 29 8.466 -9.529 -0.687 1.00 61.24 C ATOM 506 O LEU A 29 7.478 -9.768 0.005 1.00 33.23 O ATOM 507 CB LEU A 29 8.623 -11.450 -2.282 1.00 53.23 C ATOM 508 CG LEU A 29 7.375 -12.253 -1.915 1.00 34.13 C ATOM 509 CD1 LEU A 29 6.228 -11.919 -2.856 1.00 42.04 C ATOM 510 CD2 LEU A 29 7.673 -13.745 -1.943 1.00 0.00 C ATOM 0 H LEU A 29 10.389 -9.899 -3.076 1.00 3.42 H new ATOM 0 HA LEU A 29 7.576 -9.605 -2.629 1.00 14.23 H new ATOM 0 HB2 LEU A 29 8.896 -11.691 -3.309 1.00 53.23 H new ATOM 0 HB3 LEU A 29 9.444 -11.783 -1.647 1.00 53.23 H new ATOM 0 HG LEU A 29 7.077 -11.981 -0.902 1.00 34.13 H new ATOM 0 HD11 LEU A 29 5.349 -12.500 -2.579 1.00 42.04 H new ATOM 0 HD12 LEU A 29 5.997 -10.856 -2.785 1.00 42.04 H new ATOM 0 HD13 LEU A 29 6.515 -12.161 -3.879 1.00 42.04 H new ATOM 0 HD21 LEU A 29 6.773 -14.301 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.997 -14.033 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.463 -13.972 -1.227 1.00 0.00 H new ATOM 522 N GLU A 30 9.549 -8.917 -0.218 1.00 71.03 N ATOM 523 CA GLU A 30 9.638 -8.482 1.171 1.00 63.14 C ATOM 524 C GLU A 30 8.514 -7.507 1.509 1.00 42.02 C ATOM 525 O GLU A 30 7.934 -7.564 2.593 1.00 10.01 O ATOM 526 CB GLU A 30 10.995 -7.826 1.437 1.00 53.14 C ATOM 527 CG GLU A 30 11.142 -6.454 0.801 1.00 42.22 C ATOM 528 CD GLU A 30 12.591 -6.037 0.643 1.00 4.52 C ATOM 529 OE1 GLU A 30 13.434 -6.504 1.437 1.00 32.33 O ATOM 530 OE2 GLU A 30 12.883 -5.242 -0.275 1.00 52.13 O ATOM 0 H GLU A 30 10.376 -8.711 -0.779 1.00 71.03 H new ATOM 0 HA GLU A 30 9.536 -9.361 1.808 1.00 63.14 H new ATOM 0 HB2 GLU A 30 11.141 -7.736 2.513 1.00 53.14 H new ATOM 0 HB3 GLU A 30 11.784 -8.478 1.062 1.00 53.14 H new ATOM 0 HG2 GLU A 30 10.660 -6.457 -0.177 1.00 42.22 H new ATOM 0 HG3 GLU A 30 10.620 -5.717 1.411 1.00 42.22 H new ATOM 537 N ARG A 31 8.213 -6.613 0.573 1.00 42.31 N ATOM 538 CA ARG A 31 7.161 -5.624 0.772 1.00 55.25 C ATOM 539 C ARG A 31 5.788 -6.289 0.799 1.00 34.20 C ATOM 540 O ARG A 31 4.801 -5.684 1.220 1.00 22.35 O ATOM 541 CB ARG A 31 7.206 -4.570 -0.336 1.00 41.41 C ATOM 542 CG ARG A 31 8.109 -3.389 -0.017 1.00 34.13 C ATOM 543 CD ARG A 31 7.348 -2.284 0.699 1.00 30.03 C ATOM 544 NE ARG A 31 7.382 -2.447 2.150 1.00 22.32 N ATOM 545 CZ ARG A 31 6.850 -1.577 3.000 1.00 12.45 C ATOM 546 NH1 ARG A 31 6.245 -0.487 2.547 1.00 20.32 N ATOM 547 NH2 ARG A 31 6.921 -1.795 4.307 1.00 24.03 N ATOM 0 H ARG A 31 8.683 -6.553 -0.330 1.00 42.31 H new ATOM 0 HA ARG A 31 7.331 -5.139 1.733 1.00 55.25 H new ATOM 0 HB2 ARG A 31 7.548 -5.039 -1.258 1.00 41.41 H new ATOM 0 HB3 ARG A 31 6.196 -4.205 -0.520 1.00 41.41 H new ATOM 0 HG2 ARG A 31 8.940 -3.722 0.605 1.00 34.13 H new ATOM 0 HG3 ARG A 31 8.538 -2.998 -0.939 1.00 34.13 H new ATOM 0 HD2 ARG A 31 7.776 -1.318 0.433 1.00 30.03 H new ATOM 0 HD3 ARG A 31 6.312 -2.278 0.359 1.00 30.03 H new ATOM 0 HE ARG A 31 7.840 -3.275 2.531 1.00 22.32 H new ATOM 0 HH11 ARG A 31 6.188 -0.315 1.543 1.00 20.32 H new ATOM 0 HH12 ARG A 31 5.837 0.180 3.202 1.00 20.32 H new ATOM 0 HH21 ARG A 31 7.385 -2.632 4.660 1.00 24.03 H new ATOM 0 HH22 ARG A 31 6.512 -1.126 4.959 1.00 24.03 H new ATOM 561 N HIS A 32 5.732 -7.538 0.346 1.00 14.24 N ATOM 562 CA HIS A 32 4.480 -8.286 0.319 1.00 13.31 C ATOM 563 C HIS A 32 4.291 -9.076 1.610 1.00 32.13 C ATOM 564 O HIS A 32 3.247 -9.694 1.826 1.00 52.54 O ATOM 565 CB HIS A 32 4.453 -9.233 -0.881 1.00 11.21 C ATOM 566 CG HIS A 32 4.004 -8.578 -2.151 1.00 3.21 C ATOM 567 ND1 HIS A 32 2.682 -8.308 -2.432 1.00 13.40 N ATOM 568 CD2 HIS A 32 4.712 -8.137 -3.217 1.00 53.14 C ATOM 569 CE1 HIS A 32 2.595 -7.730 -3.617 1.00 73.41 C ATOM 570 NE2 HIS A 32 3.813 -7.615 -4.115 1.00 13.23 N ATOM 0 H HIS A 32 6.539 -8.053 -0.007 1.00 14.24 H new ATOM 0 HA HIS A 32 3.661 -7.572 0.228 1.00 13.31 H new ATOM 0 HB2 HIS A 32 5.450 -9.648 -1.029 1.00 11.21 H new ATOM 0 HB3 HIS A 32 3.790 -10.069 -0.659 1.00 11.21 H new ATOM 0 HD1 HIS A 32 1.894 -8.521 -1.821 1.00 13.40 H new ATOM 0 HD2 HIS A 32 5.784 -8.186 -3.339 1.00 53.14 H new ATOM 0 HE1 HIS A 32 1.683 -7.407 -4.097 1.00 73.41 H new ATOM 578 N LEU A 33 5.307 -9.054 2.466 1.00 53.41 N ATOM 579 CA LEU A 33 5.253 -9.769 3.736 1.00 1.23 C ATOM 580 C LEU A 33 5.248 -8.795 4.910 1.00 40.41 C ATOM 581 O LEU A 33 6.096 -7.906 4.996 1.00 74.13 O ATOM 582 CB LEU A 33 6.442 -10.724 3.857 1.00 72.12 C ATOM 583 CG LEU A 33 6.166 -12.054 4.560 1.00 53.34 C ATOM 584 CD1 LEU A 33 5.488 -13.029 3.610 1.00 53.13 C ATOM 585 CD2 LEU A 33 7.457 -12.647 5.104 1.00 32.22 C ATOM 0 H LEU A 33 6.178 -8.549 2.303 1.00 53.41 H new ATOM 0 HA LEU A 33 4.328 -10.345 3.761 1.00 1.23 H new ATOM 0 HB2 LEU A 33 6.815 -10.936 2.855 1.00 72.12 H new ATOM 0 HB3 LEU A 33 7.241 -10.212 4.393 1.00 72.12 H new ATOM 0 HG LEU A 33 5.494 -11.868 5.398 1.00 53.34 H new ATOM 0 HD11 LEU A 33 5.299 -13.970 4.127 1.00 53.13 H new ATOM 0 HD12 LEU A 33 4.543 -12.607 3.269 1.00 53.13 H new ATOM 0 HD13 LEU A 33 6.135 -13.210 2.752 1.00 53.13 H new ATOM 0 HD21 LEU A 33 7.242 -13.593 5.601 1.00 32.22 H new ATOM 0 HD22 LEU A 33 8.153 -12.819 4.283 1.00 32.22 H new ATOM 0 HD23 LEU A 33 7.903 -11.955 5.819 1.00 32.22 H new ATOM 597 N SER A 34 4.289 -8.969 5.813 1.00 34.22 N ATOM 598 CA SER A 34 4.172 -8.104 6.982 1.00 62.55 C ATOM 599 C SER A 34 5.512 -7.980 7.701 1.00 33.42 C ATOM 600 O SER A 34 6.428 -8.779 7.504 1.00 51.34 O ATOM 601 CB SER A 34 3.113 -8.649 7.942 1.00 70.02 C ATOM 602 OG SER A 34 3.711 -9.373 9.003 1.00 11.23 O ATOM 0 H SER A 34 3.581 -9.701 5.758 1.00 34.22 H new ATOM 0 HA SER A 34 3.868 -7.114 6.643 1.00 62.55 H new ATOM 0 HB2 SER A 34 2.525 -7.825 8.346 1.00 70.02 H new ATOM 0 HB3 SER A 34 2.424 -9.296 7.399 1.00 70.02 H new ATOM 0 HG SER A 34 3.178 -10.173 9.195 1.00 11.23 H new ATOM 608 N PRO A 35 5.630 -6.954 8.557 1.00 33.41 N ATOM 609 CA PRO A 35 6.853 -6.700 9.325 1.00 74.54 C ATOM 610 C PRO A 35 7.091 -7.754 10.401 1.00 15.33 C ATOM 611 O PRO A 35 8.210 -8.233 10.576 1.00 61.44 O ATOM 612 CB PRO A 35 6.594 -5.333 9.962 1.00 33.11 C ATOM 613 CG PRO A 35 5.110 -5.226 10.040 1.00 72.22 C ATOM 614 CD PRO A 35 4.578 -5.964 8.842 1.00 2.30 C ATOM 0 HA PRO A 35 7.743 -6.730 8.697 1.00 74.54 H new ATOM 0 HB2 PRO A 35 7.048 -5.264 10.950 1.00 33.11 H new ATOM 0 HB3 PRO A 35 7.018 -4.529 9.360 1.00 33.11 H new ATOM 0 HG2 PRO A 35 4.735 -5.663 10.966 1.00 72.22 H new ATOM 0 HG3 PRO A 35 4.793 -4.183 10.029 1.00 72.22 H new ATOM 0 HD2 PRO A 35 3.623 -6.443 9.057 1.00 2.30 H new ATOM 0 HD3 PRO A 35 4.416 -5.295 7.997 1.00 2.30 H new ATOM 622 N GLU A 36 6.030 -8.109 11.120 1.00 1.21 N ATOM 623 CA GLU A 36 6.126 -9.106 12.180 1.00 15.40 C ATOM 624 C GLU A 36 6.495 -10.472 11.610 1.00 22.12 C ATOM 625 O GLU A 36 7.210 -11.247 12.245 1.00 74.34 O ATOM 626 CB GLU A 36 4.802 -9.200 12.943 1.00 44.23 C ATOM 627 CG GLU A 36 4.656 -8.157 14.038 1.00 32.44 C ATOM 628 CD GLU A 36 3.451 -8.408 14.925 1.00 63.03 C ATOM 629 OE1 GLU A 36 2.316 -8.381 14.406 1.00 50.54 O ATOM 630 OE2 GLU A 36 3.645 -8.632 16.138 1.00 33.01 O ATOM 0 H GLU A 36 5.096 -7.722 10.988 1.00 1.21 H new ATOM 0 HA GLU A 36 6.912 -8.794 12.867 1.00 15.40 H new ATOM 0 HB2 GLU A 36 3.978 -9.093 12.238 1.00 44.23 H new ATOM 0 HB3 GLU A 36 4.716 -10.193 13.385 1.00 44.23 H new ATOM 0 HG2 GLU A 36 5.558 -8.149 14.650 1.00 32.44 H new ATOM 0 HG3 GLU A 36 4.570 -7.169 13.585 1.00 32.44 H new ATOM 637 N GLU A 37 6.002 -10.759 10.409 1.00 22.03 N ATOM 638 CA GLU A 37 6.280 -12.032 9.755 1.00 74.22 C ATOM 639 C GLU A 37 7.716 -12.078 9.241 1.00 33.40 C ATOM 640 O GLU A 37 8.392 -13.102 9.346 1.00 52.00 O ATOM 641 CB GLU A 37 5.305 -12.259 8.597 1.00 13.14 C ATOM 642 CG GLU A 37 4.204 -13.256 8.916 1.00 73.55 C ATOM 643 CD GLU A 37 3.454 -12.912 10.188 1.00 24.21 C ATOM 644 OE1 GLU A 37 3.894 -13.348 11.272 1.00 0.15 O ATOM 645 OE2 GLU A 37 2.428 -12.206 10.099 1.00 71.32 O ATOM 0 H GLU A 37 5.409 -10.128 9.870 1.00 22.03 H new ATOM 0 HA GLU A 37 6.150 -12.825 10.491 1.00 74.22 H new ATOM 0 HB2 GLU A 37 4.853 -11.306 8.322 1.00 13.14 H new ATOM 0 HB3 GLU A 37 5.861 -12.610 7.728 1.00 13.14 H new ATOM 0 HG2 GLU A 37 3.501 -13.294 8.084 1.00 73.55 H new ATOM 0 HG3 GLU A 37 4.638 -14.251 9.013 1.00 73.55 H new ATOM 652 N PHE A 38 8.175 -10.962 8.685 1.00 70.44 N ATOM 653 CA PHE A 38 9.530 -10.875 8.153 1.00 51.23 C ATOM 654 C PHE A 38 10.562 -11.091 9.255 1.00 22.44 C ATOM 655 O PHE A 38 11.549 -11.801 9.064 1.00 4.21 O ATOM 656 CB PHE A 38 9.753 -9.514 7.490 1.00 63.15 C ATOM 657 CG PHE A 38 10.544 -9.591 6.215 1.00 72.13 C ATOM 658 CD1 PHE A 38 10.004 -10.182 5.084 1.00 74.12 C ATOM 659 CD2 PHE A 38 11.827 -9.072 6.147 1.00 74.20 C ATOM 660 CE1 PHE A 38 10.729 -10.255 3.910 1.00 42.12 C ATOM 661 CE2 PHE A 38 12.557 -9.142 4.975 1.00 11.35 C ATOM 662 CZ PHE A 38 12.007 -9.733 3.855 1.00 31.01 C ATOM 0 H PHE A 38 7.629 -10.106 8.591 1.00 70.44 H new ATOM 0 HA PHE A 38 9.652 -11.660 7.407 1.00 51.23 H new ATOM 0 HB2 PHE A 38 8.785 -9.058 7.281 1.00 63.15 H new ATOM 0 HB3 PHE A 38 10.270 -8.858 8.190 1.00 63.15 H new ATOM 0 HD1 PHE A 38 9.005 -10.590 5.121 1.00 74.12 H new ATOM 0 HD2 PHE A 38 12.262 -8.607 7.020 1.00 74.20 H new ATOM 0 HE1 PHE A 38 10.297 -10.720 3.036 1.00 42.12 H new ATOM 0 HE2 PHE A 38 13.557 -8.735 4.936 1.00 11.35 H new ATOM 0 HZ PHE A 38 12.575 -9.787 2.938 1.00 31.01 H new ATOM 672 N GLN A 39 10.326 -10.474 10.408 1.00 32.15 N ATOM 673 CA GLN A 39 11.235 -10.598 11.541 1.00 24.23 C ATOM 674 C GLN A 39 11.042 -11.934 12.251 1.00 31.11 C ATOM 675 O GLN A 39 11.945 -12.424 12.928 1.00 42.01 O ATOM 676 CB GLN A 39 11.017 -9.448 12.526 1.00 44.12 C ATOM 677 CG GLN A 39 9.635 -9.442 13.158 1.00 22.25 C ATOM 678 CD GLN A 39 9.535 -10.375 14.349 1.00 34.21 C ATOM 679 OE1 GLN A 39 10.545 -10.756 14.941 1.00 12.34 O ATOM 680 NE2 GLN A 39 8.312 -10.749 14.707 1.00 74.34 N ATOM 0 H GLN A 39 9.513 -9.883 10.582 1.00 32.15 H new ATOM 0 HA GLN A 39 12.256 -10.553 11.161 1.00 24.23 H new ATOM 0 HB2 GLN A 39 11.768 -9.509 13.314 1.00 44.12 H new ATOM 0 HB3 GLN A 39 11.175 -8.502 12.008 1.00 44.12 H new ATOM 0 HG2 GLN A 39 9.388 -8.428 13.473 1.00 22.25 H new ATOM 0 HG3 GLN A 39 8.896 -9.732 12.411 1.00 22.25 H new ATOM 0 HE21 GLN A 39 7.502 -10.409 14.188 1.00 74.34 H new ATOM 0 HE22 GLN A 39 8.182 -11.376 15.501 1.00 74.34 H new ATOM 689 N GLU A 40 9.858 -12.517 12.092 1.00 60.55 N ATOM 690 CA GLU A 40 9.547 -13.797 12.719 1.00 53.52 C ATOM 691 C GLU A 40 10.054 -14.957 11.868 1.00 23.43 C ATOM 692 O GLU A 40 10.415 -16.013 12.390 1.00 51.31 O ATOM 693 CB GLU A 40 8.038 -13.930 12.935 1.00 11.11 C ATOM 694 CG GLU A 40 7.629 -15.243 13.582 1.00 44.23 C ATOM 695 CD GLU A 40 8.035 -15.326 15.040 1.00 11.45 C ATOM 696 OE1 GLU A 40 7.900 -14.308 15.752 1.00 41.13 O ATOM 697 OE2 GLU A 40 8.487 -16.407 15.471 1.00 60.13 O ATOM 0 H GLU A 40 9.099 -12.124 11.535 1.00 60.55 H new ATOM 0 HA GLU A 40 10.050 -13.831 13.685 1.00 53.52 H new ATOM 0 HB2 GLU A 40 7.695 -13.105 13.559 1.00 11.11 H new ATOM 0 HB3 GLU A 40 7.532 -13.835 11.974 1.00 11.11 H new ATOM 0 HG2 GLU A 40 6.548 -15.362 13.502 1.00 44.23 H new ATOM 0 HG3 GLU A 40 8.082 -16.070 13.035 1.00 44.23 H new ATOM 704 N VAL A 41 10.079 -14.755 10.555 1.00 52.42 N ATOM 705 CA VAL A 41 10.542 -15.783 9.631 1.00 61.10 C ATOM 706 C VAL A 41 12.052 -15.707 9.436 1.00 42.30 C ATOM 707 O VAL A 41 12.691 -16.690 9.062 1.00 24.44 O ATOM 708 CB VAL A 41 9.852 -15.658 8.260 1.00 75.31 C ATOM 709 CG1 VAL A 41 8.344 -15.801 8.406 1.00 22.10 C ATOM 710 CG2 VAL A 41 10.209 -14.334 7.603 1.00 54.34 C ATOM 0 H VAL A 41 9.784 -13.888 10.107 1.00 52.42 H new ATOM 0 HA VAL A 41 10.283 -16.745 10.073 1.00 61.10 H new ATOM 0 HB VAL A 41 10.209 -16.464 7.618 1.00 75.31 H new ATOM 0 HG11 VAL A 41 7.873 -15.710 7.427 1.00 22.10 H new ATOM 0 HG12 VAL A 41 8.111 -16.777 8.831 1.00 22.10 H new ATOM 0 HG13 VAL A 41 7.966 -15.019 9.064 1.00 22.10 H new ATOM 0 HG21 VAL A 41 9.713 -14.263 6.635 1.00 54.34 H new ATOM 0 HG22 VAL A 41 9.882 -13.512 8.240 1.00 54.34 H new ATOM 0 HG23 VAL A 41 11.288 -14.277 7.462 1.00 54.34 H new ATOM 720 N PHE A 42 12.618 -14.532 9.692 1.00 54.41 N ATOM 721 CA PHE A 42 14.054 -14.326 9.544 1.00 13.22 C ATOM 722 C PHE A 42 14.785 -14.639 10.847 1.00 53.35 C ATOM 723 O PHE A 42 15.808 -15.322 10.848 1.00 34.23 O ATOM 724 CB PHE A 42 14.343 -12.885 9.117 1.00 33.14 C ATOM 725 CG PHE A 42 14.202 -12.658 7.639 1.00 20.23 C ATOM 726 CD1 PHE A 42 13.255 -13.354 6.905 1.00 23.42 C ATOM 727 CD2 PHE A 42 15.016 -11.748 6.984 1.00 21.41 C ATOM 728 CE1 PHE A 42 13.124 -13.148 5.545 1.00 45.11 C ATOM 729 CE2 PHE A 42 14.890 -11.537 5.624 1.00 75.30 C ATOM 730 CZ PHE A 42 13.942 -12.237 4.904 1.00 73.43 C ATOM 0 H PHE A 42 12.104 -13.708 10.003 1.00 54.41 H new ATOM 0 HA PHE A 42 14.416 -15.005 8.772 1.00 13.22 H new ATOM 0 HB2 PHE A 42 13.665 -12.215 9.646 1.00 33.14 H new ATOM 0 HB3 PHE A 42 15.355 -12.620 9.422 1.00 33.14 H new ATOM 0 HD1 PHE A 42 12.612 -14.066 7.402 1.00 23.42 H new ATOM 0 HD2 PHE A 42 15.758 -11.197 7.543 1.00 21.41 H new ATOM 0 HE1 PHE A 42 12.383 -13.698 4.984 1.00 45.11 H new ATOM 0 HE2 PHE A 42 15.532 -10.826 5.125 1.00 75.30 H new ATOM 0 HZ PHE A 42 13.840 -12.073 3.841 1.00 73.43 H new ATOM 740 N GLY A 43 14.251 -14.132 11.954 1.00 5.02 N ATOM 741 CA GLY A 43 14.866 -14.367 13.248 1.00 53.11 C ATOM 742 C GLY A 43 15.230 -13.079 13.959 1.00 1.12 C ATOM 743 O GLY A 43 15.045 -12.957 15.170 1.00 64.23 O ATOM 0 H GLY A 43 13.405 -13.563 11.978 1.00 5.02 H new ATOM 0 HA2 GLY A 43 14.183 -14.943 13.872 1.00 53.11 H new ATOM 0 HA3 GLY A 43 15.763 -14.972 13.116 1.00 53.11 H new ATOM 747 N MET A 44 15.751 -12.116 13.206 1.00 52.31 N ATOM 748 CA MET A 44 16.143 -10.830 13.773 1.00 74.43 C ATOM 749 C MET A 44 14.932 -9.918 13.940 1.00 75.21 C ATOM 750 O MET A 44 13.791 -10.346 13.761 1.00 2.21 O ATOM 751 CB MET A 44 17.187 -10.153 12.883 1.00 73.42 C ATOM 752 CG MET A 44 16.811 -10.136 11.410 1.00 32.40 C ATOM 753 SD MET A 44 17.648 -11.424 10.465 1.00 50.54 S ATOM 754 CE MET A 44 18.500 -10.440 9.234 1.00 3.33 C ATOM 0 H MET A 44 15.912 -12.201 12.202 1.00 52.31 H new ATOM 0 HA MET A 44 16.577 -11.012 14.756 1.00 74.43 H new ATOM 0 HB2 MET A 44 17.333 -9.128 13.224 1.00 73.42 H new ATOM 0 HB3 MET A 44 18.141 -10.667 13.000 1.00 73.42 H new ATOM 0 HG2 MET A 44 15.733 -10.262 11.313 1.00 32.40 H new ATOM 0 HG3 MET A 44 17.058 -9.162 10.987 1.00 32.40 H new ATOM 0 HE1 MET A 44 19.476 -10.880 9.029 1.00 3.33 H new ATOM 0 HE2 MET A 44 17.912 -10.417 8.316 1.00 3.33 H new ATOM 0 HE3 MET A 44 18.631 -9.424 9.607 1.00 3.33 H new ATOM 764 N SER A 45 15.187 -8.660 14.284 1.00 10.01 N ATOM 765 CA SER A 45 14.117 -7.689 14.479 1.00 0.44 C ATOM 766 C SER A 45 13.835 -6.925 13.189 1.00 12.43 C ATOM 767 O SER A 45 14.731 -6.715 12.371 1.00 75.34 O ATOM 768 CB SER A 45 14.486 -6.709 15.595 1.00 21.22 C ATOM 769 OG SER A 45 14.772 -5.424 15.072 1.00 54.33 O ATOM 0 H SER A 45 16.125 -8.289 14.433 1.00 10.01 H new ATOM 0 HA SER A 45 13.215 -8.231 14.764 1.00 0.44 H new ATOM 0 HB2 SER A 45 13.665 -6.640 16.309 1.00 21.22 H new ATOM 0 HB3 SER A 45 15.352 -7.084 16.141 1.00 21.22 H new ATOM 0 HG SER A 45 15.003 -4.816 15.805 1.00 54.33 H new ATOM 775 N ILE A 46 12.584 -6.511 13.016 1.00 41.02 N ATOM 776 CA ILE A 46 12.183 -5.769 11.827 1.00 64.44 C ATOM 777 C ILE A 46 13.058 -4.536 11.627 1.00 14.04 C ATOM 778 O ILE A 46 13.299 -4.110 10.498 1.00 34.33 O ATOM 779 CB ILE A 46 10.709 -5.332 11.906 1.00 32.22 C ATOM 780 CG1 ILE A 46 10.155 -5.070 10.504 1.00 64.41 C ATOM 781 CG2 ILE A 46 10.570 -4.092 12.776 1.00 3.22 C ATOM 782 CD1 ILE A 46 10.334 -3.642 10.041 1.00 41.43 C ATOM 0 H ILE A 46 11.831 -6.677 13.684 1.00 41.02 H new ATOM 0 HA ILE A 46 12.308 -6.442 10.979 1.00 64.44 H new ATOM 0 HB ILE A 46 10.131 -6.137 12.360 1.00 32.22 H new ATOM 0 HG12 ILE A 46 10.648 -5.737 9.797 1.00 64.41 H new ATOM 0 HG13 ILE A 46 9.094 -5.318 10.489 1.00 64.41 H new ATOM 0 HG21 ILE A 46 9.522 -3.795 12.822 1.00 3.22 H new ATOM 0 HG22 ILE A 46 10.930 -4.311 13.781 1.00 3.22 H new ATOM 0 HG23 ILE A 46 11.158 -3.280 12.349 1.00 3.22 H new ATOM 0 HD11 ILE A 46 9.918 -3.529 9.040 1.00 41.43 H new ATOM 0 HD12 ILE A 46 9.817 -2.970 10.726 1.00 41.43 H new ATOM 0 HD13 ILE A 46 11.396 -3.396 10.023 1.00 41.43 H new ATOM 794 N GLU A 47 13.531 -3.968 12.732 1.00 11.02 N ATOM 795 CA GLU A 47 14.380 -2.784 12.678 1.00 52.41 C ATOM 796 C GLU A 47 15.697 -3.090 11.972 1.00 63.34 C ATOM 797 O GLU A 47 16.217 -2.266 11.220 1.00 13.35 O ATOM 798 CB GLU A 47 14.655 -2.261 14.089 1.00 11.15 C ATOM 799 CG GLU A 47 13.419 -2.211 14.972 1.00 53.24 C ATOM 800 CD GLU A 47 13.602 -1.317 16.183 1.00 61.12 C ATOM 801 OE1 GLU A 47 13.998 -0.147 16.001 1.00 13.50 O ATOM 802 OE2 GLU A 47 13.351 -1.788 17.312 1.00 54.33 O ATOM 0 H GLU A 47 13.341 -4.308 13.674 1.00 11.02 H new ATOM 0 HA GLU A 47 13.853 -2.017 12.110 1.00 52.41 H new ATOM 0 HB2 GLU A 47 15.404 -2.895 14.563 1.00 11.15 H new ATOM 0 HB3 GLU A 47 15.082 -1.261 14.020 1.00 11.15 H new ATOM 0 HG2 GLU A 47 12.573 -1.853 14.386 1.00 53.24 H new ATOM 0 HG3 GLU A 47 13.173 -3.220 15.304 1.00 53.24 H new ATOM 809 N GLU A 48 16.231 -4.282 12.220 1.00 65.13 N ATOM 810 CA GLU A 48 17.489 -4.697 11.609 1.00 72.03 C ATOM 811 C GLU A 48 17.402 -4.631 10.087 1.00 41.44 C ATOM 812 O GLU A 48 18.330 -4.172 9.420 1.00 10.52 O ATOM 813 CB GLU A 48 17.851 -6.117 12.048 1.00 30.14 C ATOM 814 CG GLU A 48 19.336 -6.424 11.953 1.00 41.23 C ATOM 815 CD GLU A 48 20.176 -5.520 12.834 1.00 64.20 C ATOM 816 OE1 GLU A 48 19.597 -4.818 13.689 1.00 72.43 O ATOM 817 OE2 GLU A 48 21.414 -5.516 12.668 1.00 3.55 O ATOM 0 H GLU A 48 15.813 -4.977 12.839 1.00 65.13 H new ATOM 0 HA GLU A 48 18.268 -4.012 11.942 1.00 72.03 H new ATOM 0 HB2 GLU A 48 17.523 -6.265 13.077 1.00 30.14 H new ATOM 0 HB3 GLU A 48 17.301 -6.830 11.433 1.00 30.14 H new ATOM 0 HG2 GLU A 48 19.507 -7.462 12.236 1.00 41.23 H new ATOM 0 HG3 GLU A 48 19.659 -6.319 10.917 1.00 41.23 H new ATOM 824 N PHE A 49 16.281 -5.093 9.543 1.00 10.21 N ATOM 825 CA PHE A 49 16.073 -5.088 8.100 1.00 55.12 C ATOM 826 C PHE A 49 16.194 -3.675 7.538 1.00 53.54 C ATOM 827 O PHE A 49 16.987 -3.421 6.631 1.00 24.42 O ATOM 828 CB PHE A 49 14.698 -5.668 7.760 1.00 62.13 C ATOM 829 CG PHE A 49 14.442 -7.009 8.386 1.00 71.11 C ATOM 830 CD1 PHE A 49 15.436 -7.974 8.419 1.00 33.11 C ATOM 831 CD2 PHE A 49 13.208 -7.304 8.942 1.00 73.53 C ATOM 832 CE1 PHE A 49 15.202 -9.209 8.994 1.00 22.00 C ATOM 833 CE2 PHE A 49 12.968 -8.538 9.518 1.00 4.45 C ATOM 834 CZ PHE A 49 13.968 -9.491 9.545 1.00 15.35 C ATOM 0 H PHE A 49 15.503 -5.476 10.080 1.00 10.21 H new ATOM 0 HA PHE A 49 16.845 -5.709 7.645 1.00 55.12 H new ATOM 0 HB2 PHE A 49 13.927 -4.970 8.087 1.00 62.13 H new ATOM 0 HB3 PHE A 49 14.608 -5.758 6.677 1.00 62.13 H new ATOM 0 HD1 PHE A 49 16.404 -7.759 7.991 1.00 33.11 H new ATOM 0 HD2 PHE A 49 12.424 -6.561 8.925 1.00 73.53 H new ATOM 0 HE1 PHE A 49 15.984 -9.953 9.012 1.00 22.00 H new ATOM 0 HE2 PHE A 49 12.001 -8.756 9.946 1.00 4.45 H new ATOM 0 HZ PHE A 49 13.785 -10.455 9.996 1.00 15.35 H new ATOM 844 N ASP A 50 15.401 -2.758 8.082 1.00 73.13 N ATOM 845 CA ASP A 50 15.418 -1.370 7.636 1.00 44.23 C ATOM 846 C ASP A 50 16.824 -0.785 7.735 1.00 71.14 C ATOM 847 O ASP A 50 17.239 0.006 6.888 1.00 54.43 O ATOM 848 CB ASP A 50 14.445 -0.532 8.467 1.00 72.54 C ATOM 849 CG ASP A 50 14.007 0.729 7.748 1.00 34.41 C ATOM 850 OD1 ASP A 50 14.887 1.508 7.326 1.00 30.22 O ATOM 851 OD2 ASP A 50 12.784 0.936 7.607 1.00 75.11 O ATOM 0 H ASP A 50 14.738 -2.951 8.833 1.00 73.13 H new ATOM 0 HA ASP A 50 15.106 -1.346 6.592 1.00 44.23 H new ATOM 0 HB2 ASP A 50 13.568 -1.132 8.709 1.00 72.54 H new ATOM 0 HB3 ASP A 50 14.917 -0.263 9.412 1.00 72.54 H new ATOM 856 N ARG A 51 17.552 -1.180 8.774 1.00 14.43 N ATOM 857 CA ARG A 51 18.910 -0.693 8.985 1.00 14.11 C ATOM 858 C ARG A 51 19.884 -1.365 8.022 1.00 54.35 C ATOM 859 O ARG A 51 20.934 -0.810 7.696 1.00 52.52 O ATOM 860 CB ARG A 51 19.347 -0.947 10.429 1.00 70.22 C ATOM 861 CG ARG A 51 19.063 0.216 11.365 1.00 42.10 C ATOM 862 CD ARG A 51 17.780 -0.002 12.152 1.00 42.04 C ATOM 863 NE ARG A 51 17.681 0.898 13.298 1.00 60.05 N ATOM 864 CZ ARG A 51 17.438 2.200 13.191 1.00 65.42 C ATOM 865 NH1 ARG A 51 17.271 2.750 11.997 1.00 52.45 N ATOM 866 NH2 ARG A 51 17.363 2.953 14.280 1.00 13.15 N ATOM 0 H ARG A 51 17.224 -1.836 9.483 1.00 14.43 H new ATOM 0 HA ARG A 51 18.918 0.380 8.793 1.00 14.11 H new ATOM 0 HB2 ARG A 51 18.838 -1.836 10.803 1.00 70.22 H new ATOM 0 HB3 ARG A 51 20.416 -1.162 10.444 1.00 70.22 H new ATOM 0 HG2 ARG A 51 19.897 0.341 12.055 1.00 42.10 H new ATOM 0 HG3 ARG A 51 18.985 1.138 10.788 1.00 42.10 H new ATOM 0 HD2 ARG A 51 16.922 0.150 11.497 1.00 42.04 H new ATOM 0 HD3 ARG A 51 17.738 -1.035 12.498 1.00 42.04 H new ATOM 0 HE ARG A 51 17.805 0.506 14.231 1.00 60.05 H new ATOM 0 HH11 ARG A 51 17.329 2.174 11.157 1.00 52.45 H new ATOM 0 HH12 ARG A 51 17.085 3.750 11.918 1.00 52.45 H new ATOM 0 HH21 ARG A 51 17.492 2.533 15.200 1.00 13.15 H new ATOM 0 HH22 ARG A 51 17.176 3.952 14.197 1.00 13.15 H new ATOM 880 N LEU A 52 19.529 -2.562 7.569 1.00 33.33 N ATOM 881 CA LEU A 52 20.371 -3.311 6.643 1.00 42.10 C ATOM 882 C LEU A 52 20.204 -2.795 5.217 1.00 25.41 C ATOM 883 O LEU A 52 19.351 -1.951 4.948 1.00 43.51 O ATOM 884 CB LEU A 52 20.030 -4.801 6.702 1.00 15.31 C ATOM 885 CG LEU A 52 20.591 -5.571 7.898 1.00 72.23 C ATOM 886 CD1 LEU A 52 19.944 -6.944 8.000 1.00 54.42 C ATOM 887 CD2 LEU A 52 22.103 -5.699 7.787 1.00 21.52 C ATOM 0 H LEU A 52 18.663 -3.035 7.828 1.00 33.33 H new ATOM 0 HA LEU A 52 21.410 -3.171 6.941 1.00 42.10 H new ATOM 0 HB2 LEU A 52 18.945 -4.905 6.705 1.00 15.31 H new ATOM 0 HB3 LEU A 52 20.393 -5.273 5.789 1.00 15.31 H new ATOM 0 HG LEU A 52 20.359 -5.014 8.806 1.00 72.23 H new ATOM 0 HD11 LEU A 52 20.356 -7.477 8.857 1.00 54.42 H new ATOM 0 HD12 LEU A 52 18.867 -6.830 8.126 1.00 54.42 H new ATOM 0 HD13 LEU A 52 20.145 -7.509 7.090 1.00 54.42 H new ATOM 0 HD21 LEU A 52 22.486 -6.250 8.646 1.00 21.52 H new ATOM 0 HD22 LEU A 52 22.357 -6.233 6.871 1.00 21.52 H new ATOM 0 HD23 LEU A 52 22.551 -4.706 7.764 1.00 21.52 H new ATOM 899 N ALA A 53 21.024 -3.312 4.307 1.00 0.32 N ATOM 900 CA ALA A 53 20.964 -2.907 2.908 1.00 4.12 C ATOM 901 C ALA A 53 20.128 -3.884 2.089 1.00 22.20 C ATOM 902 O ALA A 53 19.726 -4.939 2.583 1.00 43.34 O ATOM 903 CB ALA A 53 22.368 -2.797 2.330 1.00 13.24 C ATOM 0 H ALA A 53 21.737 -4.012 4.514 1.00 0.32 H new ATOM 0 HA ALA A 53 20.485 -1.929 2.859 1.00 4.12 H new ATOM 0 HB1 ALA A 53 22.308 -2.494 1.285 1.00 13.24 H new ATOM 0 HB2 ALA A 53 22.935 -2.055 2.891 1.00 13.24 H new ATOM 0 HB3 ALA A 53 22.867 -3.764 2.400 1.00 13.24 H new ATOM 909 N LEU A 54 19.869 -3.528 0.836 1.00 53.50 N ATOM 910 CA LEU A 54 19.079 -4.373 -0.052 1.00 71.33 C ATOM 911 C LEU A 54 19.730 -5.742 -0.223 1.00 4.03 C ATOM 912 O LEU A 54 19.108 -6.773 0.034 1.00 3.45 O ATOM 913 CB LEU A 54 18.915 -3.701 -1.416 1.00 55.23 C ATOM 914 CG LEU A 54 17.582 -3.941 -2.127 1.00 11.43 C ATOM 915 CD1 LEU A 54 17.765 -3.890 -3.636 1.00 15.34 C ATOM 916 CD2 LEU A 54 16.985 -5.275 -1.705 1.00 21.34 C ATOM 0 H LEU A 54 20.195 -2.659 0.412 1.00 53.50 H new ATOM 0 HA LEU A 54 18.096 -4.512 0.399 1.00 71.33 H new ATOM 0 HB2 LEU A 54 19.047 -2.627 -1.288 1.00 55.23 H new ATOM 0 HB3 LEU A 54 19.718 -4.045 -2.067 1.00 55.23 H new ATOM 0 HG LEU A 54 16.891 -3.149 -1.839 1.00 11.43 H new ATOM 0 HD11 LEU A 54 16.806 -4.063 -4.125 1.00 15.34 H new ATOM 0 HD12 LEU A 54 18.147 -2.911 -3.923 1.00 15.34 H new ATOM 0 HD13 LEU A 54 18.473 -4.660 -3.943 1.00 15.34 H new ATOM 0 HD21 LEU A 54 16.037 -5.429 -2.221 1.00 21.34 H new ATOM 0 HD22 LEU A 54 17.673 -6.080 -1.963 1.00 21.34 H new ATOM 0 HD23 LEU A 54 16.816 -5.274 -0.628 1.00 21.34 H new ATOM 928 N TRP A 55 20.986 -5.744 -0.655 1.00 50.32 N ATOM 929 CA TRP A 55 21.723 -6.986 -0.858 1.00 33.14 C ATOM 930 C TRP A 55 21.501 -7.946 0.306 1.00 5.12 C ATOM 931 O TRP A 55 21.350 -9.152 0.110 1.00 51.24 O ATOM 932 CB TRP A 55 23.216 -6.697 -1.020 1.00 10.05 C ATOM 933 CG TRP A 55 23.877 -6.257 0.252 1.00 61.14 C ATOM 934 CD1 TRP A 55 24.028 -4.974 0.696 1.00 73.52 C ATOM 935 CD2 TRP A 55 24.478 -7.100 1.241 1.00 43.41 C ATOM 936 NE1 TRP A 55 24.686 -4.969 1.902 1.00 44.13 N ATOM 937 CE2 TRP A 55 24.973 -6.260 2.258 1.00 30.01 C ATOM 938 CE3 TRP A 55 24.645 -8.481 1.367 1.00 22.25 C ATOM 939 CZ2 TRP A 55 25.623 -6.759 3.384 1.00 40.31 C ATOM 940 CZ3 TRP A 55 25.291 -8.974 2.485 1.00 32.52 C ATOM 941 CH2 TRP A 55 25.773 -8.115 3.482 1.00 74.31 C ATOM 0 H TRP A 55 21.515 -4.899 -0.871 1.00 50.32 H new ATOM 0 HA TRP A 55 21.351 -7.456 -1.768 1.00 33.14 H new ATOM 0 HB2 TRP A 55 23.714 -7.593 -1.389 1.00 10.05 H new ATOM 0 HB3 TRP A 55 23.349 -5.924 -1.777 1.00 10.05 H new ATOM 0 HD1 TRP A 55 23.681 -4.093 0.176 1.00 73.52 H new ATOM 0 HE1 TRP A 55 24.923 -4.138 2.444 1.00 44.13 H new ATOM 0 HE3 TRP A 55 24.276 -9.151 0.605 1.00 22.25 H new ATOM 0 HZ2 TRP A 55 25.996 -6.098 4.153 1.00 40.31 H new ATOM 0 HZ3 TRP A 55 25.427 -10.040 2.592 1.00 32.52 H new ATOM 0 HH2 TRP A 55 26.272 -8.532 4.344 1.00 74.31 H new ATOM 952 N LYS A 56 21.484 -7.404 1.519 1.00 34.03 N ATOM 953 CA LYS A 56 21.279 -8.212 2.716 1.00 41.23 C ATOM 954 C LYS A 56 19.845 -8.728 2.785 1.00 25.03 C ATOM 955 O LYS A 56 19.614 -9.916 3.010 1.00 71.24 O ATOM 956 CB LYS A 56 21.599 -7.394 3.969 1.00 24.11 C ATOM 957 CG LYS A 56 21.715 -8.233 5.230 1.00 62.43 C ATOM 958 CD LYS A 56 23.088 -8.873 5.350 1.00 44.22 C ATOM 959 CE LYS A 56 23.285 -9.520 6.712 1.00 13.22 C ATOM 960 NZ LYS A 56 24.702 -9.446 7.162 1.00 3.44 N ATOM 0 H LYS A 56 21.610 -6.408 1.699 1.00 34.03 H new ATOM 0 HA LYS A 56 21.952 -9.068 2.666 1.00 41.23 H new ATOM 0 HB2 LYS A 56 22.534 -6.857 3.813 1.00 24.11 H new ATOM 0 HB3 LYS A 56 20.821 -6.644 4.112 1.00 24.11 H new ATOM 0 HG2 LYS A 56 21.527 -7.608 6.103 1.00 62.43 H new ATOM 0 HG3 LYS A 56 20.950 -9.009 5.223 1.00 62.43 H new ATOM 0 HD2 LYS A 56 23.210 -9.623 4.569 1.00 44.22 H new ATOM 0 HD3 LYS A 56 23.858 -8.118 5.190 1.00 44.22 H new ATOM 0 HE2 LYS A 56 22.645 -9.027 7.444 1.00 13.22 H new ATOM 0 HE3 LYS A 56 22.972 -10.563 6.667 1.00 13.22 H new ATOM 0 HZ1 LYS A 56 24.794 -9.898 8.094 1.00 3.44 H new ATOM 0 HZ2 LYS A 56 25.310 -9.938 6.477 1.00 3.44 H new ATOM 0 HZ3 LYS A 56 24.993 -8.450 7.230 1.00 3.44 H new ATOM 974 N ARG A 57 18.887 -7.828 2.590 1.00 22.13 N ATOM 975 CA ARG A 57 17.476 -8.193 2.631 1.00 64.32 C ATOM 976 C ARG A 57 17.171 -9.297 1.622 1.00 4.11 C ATOM 977 O ARG A 57 16.377 -10.196 1.893 1.00 61.50 O ATOM 978 CB ARG A 57 16.603 -6.971 2.345 1.00 53.43 C ATOM 979 CG ARG A 57 17.021 -5.729 3.116 1.00 34.52 C ATOM 980 CD ARG A 57 15.864 -5.158 3.920 1.00 14.54 C ATOM 981 NE ARG A 57 14.773 -4.703 3.062 1.00 13.14 N ATOM 982 CZ ARG A 57 14.768 -3.530 2.439 1.00 11.22 C ATOM 983 NH1 ARG A 57 15.791 -2.698 2.577 1.00 11.24 N ATOM 984 NH2 ARG A 57 13.739 -3.187 1.675 1.00 35.22 N ATOM 0 H ARG A 57 19.062 -6.841 2.402 1.00 22.13 H new ATOM 0 HA ARG A 57 17.251 -8.565 3.631 1.00 64.32 H new ATOM 0 HB2 ARG A 57 16.636 -6.754 1.277 1.00 53.43 H new ATOM 0 HB3 ARG A 57 15.568 -7.209 2.590 1.00 53.43 H new ATOM 0 HG2 ARG A 57 17.845 -5.975 3.786 1.00 34.52 H new ATOM 0 HG3 ARG A 57 17.390 -4.975 2.421 1.00 34.52 H new ATOM 0 HD2 ARG A 57 15.492 -5.917 4.608 1.00 14.54 H new ATOM 0 HD3 ARG A 57 16.220 -4.325 4.526 1.00 14.54 H new ATOM 0 HE ARG A 57 13.971 -5.320 2.934 1.00 13.14 H new ATOM 0 HH11 ARG A 57 16.584 -2.958 3.163 1.00 11.24 H new ATOM 0 HH12 ARG A 57 15.785 -1.798 2.097 1.00 11.24 H new ATOM 0 HH21 ARG A 57 12.950 -3.824 1.565 1.00 35.22 H new ATOM 0 HH22 ARG A 57 13.737 -2.286 1.197 1.00 35.22 H new ATOM 998 N ASN A 58 17.808 -9.220 0.458 1.00 20.10 N ATOM 999 CA ASN A 58 17.604 -10.212 -0.592 1.00 11.33 C ATOM 1000 C ASN A 58 18.152 -11.572 -0.169 1.00 52.44 C ATOM 1001 O ASN A 58 17.452 -12.582 -0.237 1.00 21.33 O ATOM 1002 CB ASN A 58 18.278 -9.758 -1.888 1.00 73.34 C ATOM 1003 CG ASN A 58 17.363 -8.909 -2.749 1.00 14.51 C ATOM 1004 OD1 ASN A 58 16.181 -9.215 -2.909 1.00 63.53 O ATOM 1005 ND2 ASN A 58 17.906 -7.833 -3.308 1.00 22.54 N ATOM 0 H ASN A 58 18.469 -8.482 0.218 1.00 20.10 H new ATOM 0 HA ASN A 58 16.532 -10.310 -0.763 1.00 11.33 H new ATOM 0 HB2 ASN A 58 19.176 -9.190 -1.647 1.00 73.34 H new ATOM 0 HB3 ASN A 58 18.597 -10.633 -2.454 1.00 73.34 H new ATOM 0 HD21 ASN A 58 17.339 -7.223 -3.897 1.00 22.54 H new ATOM 0 HD22 ASN A 58 18.890 -7.617 -3.149 1.00 22.54 H new ATOM 1012 N ASP A 59 19.407 -11.588 0.266 1.00 34.22 N ATOM 1013 CA ASP A 59 20.049 -12.823 0.702 1.00 74.15 C ATOM 1014 C ASP A 59 19.217 -13.519 1.775 1.00 41.14 C ATOM 1015 O ASP A 59 18.884 -14.698 1.649 1.00 33.14 O ATOM 1016 CB ASP A 59 21.452 -12.533 1.235 1.00 43.30 C ATOM 1017 CG ASP A 59 22.188 -13.793 1.646 1.00 33.12 C ATOM 1018 OD1 ASP A 59 21.850 -14.875 1.121 1.00 24.24 O ATOM 1019 OD2 ASP A 59 23.101 -13.697 2.492 1.00 30.32 O ATOM 0 H ASP A 59 20.000 -10.760 0.326 1.00 34.22 H new ATOM 0 HA ASP A 59 20.126 -13.487 -0.159 1.00 74.15 H new ATOM 0 HB2 ASP A 59 22.028 -12.013 0.469 1.00 43.30 H new ATOM 0 HB3 ASP A 59 21.381 -11.862 2.091 1.00 43.30 H new ATOM 1024 N LEU A 60 18.886 -12.782 2.829 1.00 20.23 N ATOM 1025 CA LEU A 60 18.094 -13.328 3.926 1.00 71.52 C ATOM 1026 C LEU A 60 16.759 -13.866 3.419 1.00 44.43 C ATOM 1027 O LEU A 60 16.272 -14.893 3.890 1.00 74.10 O ATOM 1028 CB LEU A 60 17.854 -12.257 4.991 1.00 52.02 C ATOM 1029 CG LEU A 60 19.105 -11.658 5.634 1.00 30.24 C ATOM 1030 CD1 LEU A 60 18.855 -10.216 6.046 1.00 42.40 C ATOM 1031 CD2 LEU A 60 19.538 -12.489 6.833 1.00 31.42 C ATOM 0 H LEU A 60 19.153 -11.805 2.948 1.00 20.23 H new ATOM 0 HA LEU A 60 18.652 -14.153 4.369 1.00 71.52 H new ATOM 0 HB2 LEU A 60 17.278 -11.448 4.541 1.00 52.02 H new ATOM 0 HB3 LEU A 60 17.236 -12.688 5.779 1.00 52.02 H new ATOM 0 HG LEU A 60 19.909 -11.670 4.899 1.00 30.24 H new ATOM 0 HD11 LEU A 60 19.756 -9.806 6.502 1.00 42.40 H new ATOM 0 HD12 LEU A 60 18.593 -9.627 5.167 1.00 42.40 H new ATOM 0 HD13 LEU A 60 18.036 -10.180 6.765 1.00 42.40 H new ATOM 0 HD21 LEU A 60 20.430 -12.048 7.278 1.00 31.42 H new ATOM 0 HD22 LEU A 60 18.736 -12.509 7.571 1.00 31.42 H new ATOM 0 HD23 LEU A 60 19.759 -13.506 6.510 1.00 31.42 H new ATOM 1043 N LYS A 61 16.174 -13.165 2.453 1.00 10.13 N ATOM 1044 CA LYS A 61 14.897 -13.572 1.878 1.00 4.03 C ATOM 1045 C LYS A 61 14.985 -14.982 1.302 1.00 10.40 C ATOM 1046 O LYS A 61 14.193 -15.857 1.652 1.00 24.13 O ATOM 1047 CB LYS A 61 14.470 -12.589 0.786 1.00 11.22 C ATOM 1048 CG LYS A 61 13.552 -11.487 1.286 1.00 52.44 C ATOM 1049 CD LYS A 61 12.778 -10.846 0.145 1.00 21.14 C ATOM 1050 CE LYS A 61 13.544 -9.680 -0.462 1.00 34.41 C ATOM 1051 NZ LYS A 61 12.668 -8.823 -1.308 1.00 44.21 N ATOM 0 H LYS A 61 16.564 -12.312 2.052 1.00 10.13 H new ATOM 0 HA LYS A 61 14.151 -13.569 2.673 1.00 4.03 H new ATOM 0 HB2 LYS A 61 15.360 -12.138 0.347 1.00 11.22 H new ATOM 0 HB3 LYS A 61 13.965 -13.138 -0.009 1.00 11.22 H new ATOM 0 HG2 LYS A 61 12.854 -11.897 2.016 1.00 52.44 H new ATOM 0 HG3 LYS A 61 14.141 -10.727 1.800 1.00 52.44 H new ATOM 0 HD2 LYS A 61 12.578 -11.592 -0.625 1.00 21.14 H new ATOM 0 HD3 LYS A 61 11.812 -10.498 0.510 1.00 21.14 H new ATOM 0 HE2 LYS A 61 13.981 -9.078 0.335 1.00 34.41 H new ATOM 0 HE3 LYS A 61 14.370 -10.061 -1.063 1.00 34.41 H new ATOM 0 HZ1 LYS A 61 13.187 -8.530 -2.160 1.00 44.21 H new ATOM 0 HZ2 LYS A 61 11.822 -9.360 -1.586 1.00 44.21 H new ATOM 0 HZ3 LYS A 61 12.382 -7.980 -0.770 1.00 44.21 H new ATOM 1065 N LYS A 62 15.953 -15.195 0.417 1.00 21.04 N ATOM 1066 CA LYS A 62 16.147 -16.499 -0.206 1.00 12.11 C ATOM 1067 C LYS A 62 16.313 -17.587 0.850 1.00 75.42 C ATOM 1068 O LYS A 62 15.762 -18.681 0.721 1.00 60.03 O ATOM 1069 CB LYS A 62 17.372 -16.472 -1.123 1.00 11.14 C ATOM 1070 CG LYS A 62 17.223 -15.537 -2.310 1.00 55.21 C ATOM 1071 CD LYS A 62 18.425 -14.618 -2.451 1.00 71.54 C ATOM 1072 CE LYS A 62 18.240 -13.629 -3.592 1.00 34.12 C ATOM 1073 NZ LYS A 62 19.507 -12.922 -3.924 1.00 64.33 N ATOM 0 H LYS A 62 16.616 -14.481 0.115 1.00 21.04 H new ATOM 0 HA LYS A 62 15.261 -16.726 -0.800 1.00 12.11 H new ATOM 0 HB2 LYS A 62 18.244 -16.172 -0.542 1.00 11.14 H new ATOM 0 HB3 LYS A 62 17.564 -17.481 -1.488 1.00 11.14 H new ATOM 0 HG2 LYS A 62 17.102 -16.122 -3.222 1.00 55.21 H new ATOM 0 HG3 LYS A 62 16.319 -14.940 -2.192 1.00 55.21 H new ATOM 0 HD2 LYS A 62 18.580 -14.075 -1.519 1.00 71.54 H new ATOM 0 HD3 LYS A 62 19.321 -15.213 -2.626 1.00 71.54 H new ATOM 0 HE2 LYS A 62 17.876 -14.156 -4.474 1.00 34.12 H new ATOM 0 HE3 LYS A 62 17.477 -12.899 -3.320 1.00 34.12 H new ATOM 0 HZ1 LYS A 62 19.339 -12.257 -4.706 1.00 64.33 H new ATOM 0 HZ2 LYS A 62 19.841 -12.398 -3.090 1.00 64.33 H new ATOM 0 HZ3 LYS A 62 20.228 -13.616 -4.208 1.00 64.33 H new ATOM 1087 N LYS A 63 17.073 -17.280 1.895 1.00 23.50 N ATOM 1088 CA LYS A 63 17.310 -18.231 2.975 1.00 13.12 C ATOM 1089 C LYS A 63 16.013 -18.551 3.712 1.00 0.41 C ATOM 1090 O LYS A 63 15.829 -19.660 4.211 1.00 22.32 O ATOM 1091 CB LYS A 63 18.342 -17.672 3.957 1.00 62.21 C ATOM 1092 CG LYS A 63 19.780 -17.886 3.515 1.00 34.32 C ATOM 1093 CD LYS A 63 20.726 -17.938 4.703 1.00 42.33 C ATOM 1094 CE LYS A 63 20.751 -16.615 5.454 1.00 73.24 C ATOM 1095 NZ LYS A 63 21.299 -15.512 4.617 1.00 62.33 N ATOM 0 H LYS A 63 17.536 -16.379 2.017 1.00 23.50 H new ATOM 0 HA LYS A 63 17.696 -19.152 2.537 1.00 13.12 H new ATOM 0 HB2 LYS A 63 18.166 -16.604 4.088 1.00 62.21 H new ATOM 0 HB3 LYS A 63 18.196 -18.141 4.930 1.00 62.21 H new ATOM 0 HG2 LYS A 63 19.853 -18.815 2.949 1.00 34.32 H new ATOM 0 HG3 LYS A 63 20.080 -17.080 2.845 1.00 34.32 H new ATOM 0 HD2 LYS A 63 20.419 -18.736 5.379 1.00 42.33 H new ATOM 0 HD3 LYS A 63 21.731 -18.181 4.359 1.00 42.33 H new ATOM 0 HE2 LYS A 63 19.741 -16.360 5.774 1.00 73.24 H new ATOM 0 HE3 LYS A 63 21.354 -16.721 6.356 1.00 73.24 H new ATOM 0 HZ1 LYS A 63 21.490 -14.684 5.216 1.00 62.33 H new ATOM 0 HZ2 LYS A 63 22.183 -15.824 4.166 1.00 62.33 H new ATOM 0 HZ3 LYS A 63 20.608 -15.257 3.883 1.00 62.33 H new ATOM 1109 N ALA A 64 15.117 -17.571 3.775 1.00 74.50 N ATOM 1110 CA ALA A 64 13.836 -17.750 4.448 1.00 71.44 C ATOM 1111 C ALA A 64 12.831 -18.449 3.538 1.00 31.11 C ATOM 1112 O ALA A 64 11.660 -18.599 3.889 1.00 53.40 O ATOM 1113 CB ALA A 64 13.289 -16.407 4.908 1.00 63.12 C ATOM 0 H ALA A 64 15.255 -16.646 3.368 1.00 74.50 H new ATOM 0 HA ALA A 64 13.998 -18.382 5.321 1.00 71.44 H new ATOM 0 HB1 ALA A 64 12.332 -16.556 5.409 1.00 63.12 H new ATOM 0 HB2 ALA A 64 13.993 -15.945 5.600 1.00 63.12 H new ATOM 0 HB3 ALA A 64 13.149 -15.756 4.045 1.00 63.12 H new ATOM 1119 N LEU A 65 13.295 -18.875 2.368 1.00 10.44 N ATOM 1120 CA LEU A 65 12.436 -19.558 1.407 1.00 0.42 C ATOM 1121 C LEU A 65 11.420 -18.593 0.803 1.00 65.20 C ATOM 1122 O LEU A 65 10.284 -18.972 0.514 1.00 45.42 O ATOM 1123 CB LEU A 65 11.711 -20.724 2.080 1.00 32.14 C ATOM 1124 CG LEU A 65 12.549 -21.574 3.036 1.00 10.22 C ATOM 1125 CD1 LEU A 65 11.651 -22.375 3.965 1.00 34.43 C ATOM 1126 CD2 LEU A 65 13.474 -22.498 2.257 1.00 14.21 C ATOM 0 H LEU A 65 14.261 -18.759 2.062 1.00 10.44 H new ATOM 0 HA LEU A 65 13.065 -19.944 0.605 1.00 0.42 H new ATOM 0 HB2 LEU A 65 10.859 -20.326 2.631 1.00 32.14 H new ATOM 0 HB3 LEU A 65 11.312 -21.375 1.302 1.00 32.14 H new ATOM 0 HG LEU A 65 13.161 -20.907 3.643 1.00 10.22 H new ATOM 0 HD11 LEU A 65 12.265 -22.974 4.638 1.00 34.43 H new ATOM 0 HD12 LEU A 65 11.031 -21.694 4.548 1.00 34.43 H new ATOM 0 HD13 LEU A 65 11.012 -23.032 3.376 1.00 34.43 H new ATOM 0 HD21 LEU A 65 14.063 -23.095 2.953 1.00 14.21 H new ATOM 0 HD22 LEU A 65 12.881 -23.158 1.625 1.00 14.21 H new ATOM 0 HD23 LEU A 65 14.142 -21.903 1.634 1.00 14.21 H new ATOM 1138 N LEU A 66 11.837 -17.346 0.613 1.00 62.22 N ATOM 1139 CA LEU A 66 10.965 -16.327 0.040 1.00 13.12 C ATOM 1140 C LEU A 66 11.131 -16.256 -1.474 1.00 42.33 C ATOM 1141 O LEU A 66 10.195 -15.914 -2.197 1.00 73.41 O ATOM 1142 CB LEU A 66 11.265 -14.962 0.662 1.00 22.24 C ATOM 1143 CG LEU A 66 10.339 -14.523 1.797 1.00 74.02 C ATOM 1144 CD1 LEU A 66 11.071 -13.598 2.756 1.00 20.25 C ATOM 1145 CD2 LEU A 66 9.098 -13.841 1.238 1.00 20.24 C ATOM 0 H LEU A 66 12.773 -17.016 0.847 1.00 62.22 H new ATOM 0 HA LEU A 66 9.934 -16.601 0.261 1.00 13.12 H new ATOM 0 HB2 LEU A 66 12.288 -14.974 1.038 1.00 22.24 H new ATOM 0 HB3 LEU A 66 11.224 -14.209 -0.125 1.00 22.24 H new ATOM 0 HG LEU A 66 10.026 -15.409 2.348 1.00 74.02 H new ATOM 0 HD11 LEU A 66 10.396 -13.296 3.557 1.00 20.25 H new ATOM 0 HD12 LEU A 66 11.928 -14.120 3.181 1.00 20.25 H new ATOM 0 HD13 LEU A 66 11.414 -12.714 2.218 1.00 20.25 H new ATOM 0 HD21 LEU A 66 8.450 -13.535 2.059 1.00 20.24 H new ATOM 0 HD22 LEU A 66 9.393 -12.964 0.662 1.00 20.24 H new ATOM 0 HD23 LEU A 66 8.561 -14.535 0.592 1.00 20.24 H new ATOM 1157 N PHE A 67 12.329 -16.582 -1.949 1.00 31.23 N ATOM 1158 CA PHE A 67 12.618 -16.557 -3.378 1.00 2.43 C ATOM 1159 C PHE A 67 12.817 -17.970 -3.918 1.00 10.12 C ATOM 1160 O PHE A 67 13.423 -18.816 -3.261 1.00 40.23 O ATOM 1161 CB PHE A 67 13.865 -15.714 -3.652 1.00 42.52 C ATOM 1162 CG PHE A 67 13.652 -14.242 -3.443 1.00 14.41 C ATOM 1163 CD1 PHE A 67 12.377 -13.734 -3.251 1.00 11.45 C ATOM 1164 CD2 PHE A 67 14.725 -13.366 -3.438 1.00 24.12 C ATOM 1165 CE1 PHE A 67 12.178 -12.380 -3.059 1.00 13.55 C ATOM 1166 CE2 PHE A 67 14.532 -12.011 -3.246 1.00 4.01 C ATOM 1167 CZ PHE A 67 13.257 -11.517 -3.055 1.00 32.31 C ATOM 0 H PHE A 67 13.115 -16.867 -1.365 1.00 31.23 H new ATOM 0 HA PHE A 67 11.765 -16.109 -3.888 1.00 2.43 H new ATOM 0 HB2 PHE A 67 14.672 -16.052 -3.002 1.00 42.52 H new ATOM 0 HB3 PHE A 67 14.190 -15.884 -4.678 1.00 42.52 H new ATOM 0 HD1 PHE A 67 11.530 -14.404 -3.251 1.00 11.45 H new ATOM 0 HD2 PHE A 67 15.725 -13.747 -3.586 1.00 24.12 H new ATOM 0 HE1 PHE A 67 11.179 -11.996 -2.912 1.00 13.55 H new ATOM 0 HE2 PHE A 67 15.378 -11.339 -3.245 1.00 4.01 H new ATOM 0 HZ PHE A 67 13.103 -10.459 -2.903 1.00 32.31 H new