USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1071 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 109 THR OG1 : rot 160:sc= -0.159 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.524 K(o=0.36,f=-3.6!) USER MOD Set 2.1: A 96 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 159:sc= -0.122 (180deg=-0.583) USER MOD Single : A 3 THR OG1 : rot -170:sc=-0.00922 USER MOD Single : A 9 SER OG : rot -77:sc= 0.535 USER MOD Single : A 24 LYS NZ :NH3+ -174:sc=-0.00355 (180deg=-0.072) USER MOD Single : A 25 SER OG : rot 81:sc= 0.477 USER MOD Single : A 28 ASN : amide:sc= 0.139 X(o=0.14,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -170:sc= 0 USER MOD Single : A 34 THR OG1 : rot -120:sc= -0.248 USER MOD Single : A 37 LYS NZ :NH3+ -123:sc= 0.816 (180deg=0.176) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= 0.692 (180deg=0.313) USER MOD Single : A 41 LYS NZ :NH3+ 144:sc= 1.22 (180deg=0.366) USER MOD Single : A 46 LYS NZ :NH3+ 141:sc= 0.724 (180deg=-0.293) USER MOD Single : A 49 LYS NZ :NH3+ -119:sc= 0.808 (180deg=-0.214) USER MOD Single : A 50 GLN : amide:sc= -0.836 K(o=-0.84,f=-1.4) USER MOD Single : A 62 THR OG1 : rot 88:sc= 0.47 USER MOD Single : A 72 TYR OH : rot 130:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0.812 K(o=0.81,f=-0.91) USER MOD Single : A 75 LYS NZ :NH3+ -120:sc= 0.547 (180deg=0.205) USER MOD Single : A 84 MET CE :methyl -145:sc= -0.066 (180deg=-2.02) USER MOD Single : A 87 GLN : amide:sc= 0.202 X(o=0.2,f=-0.11) USER MOD Single : A 89 GLN : amide:sc= -0.71 X(o=-0.71,f=-0.5) USER MOD Single : A 98 GLN : amide:sc= -0.033 X(o=-0.033,f=-0.095) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 163:sc= 0.658 (180deg=0.566) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -145:sc= 0.948 (180deg=0.321) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 0.522 13.956 -1.912 1.00 1.41 N ATOM 21 CA GLY A 2 1.794 13.295 -1.567 1.00 3.24 C ATOM 22 C GLY A 2 1.612 12.310 -0.408 1.00 24.13 C ATOM 23 O GLY A 2 1.673 12.704 0.760 1.00 72.33 O ATOM 0 HA2 GLY A 2 2.180 12.767 -2.439 1.00 3.24 H new ATOM 0 HA3 GLY A 2 2.535 14.047 -1.295 1.00 3.24 H new ATOM 27 N THR A 3 1.333 11.032 -0.744 1.00 24.00 N ATOM 28 CA THR A 3 0.865 10.013 0.213 1.00 14.10 C ATOM 29 C THR A 3 1.338 8.611 -0.224 1.00 74.44 C ATOM 30 O THR A 3 1.411 8.336 -1.431 1.00 75.20 O ATOM 31 CB THR A 3 -0.705 10.045 0.283 1.00 2.15 C ATOM 32 OG1 THR A 3 -1.165 11.385 0.524 1.00 33.13 O ATOM 33 CG2 THR A 3 -1.267 9.139 1.376 1.00 64.51 C ATOM 0 H THR A 3 1.428 10.678 -1.696 1.00 24.00 H new ATOM 0 HA THR A 3 1.280 10.231 1.197 1.00 14.10 H new ATOM 0 HB THR A 3 -1.062 9.679 -0.680 1.00 2.15 H new ATOM 0 HG1 THR A 3 -2.125 11.371 0.722 1.00 33.13 H new ATOM 0 HG21 THR A 3 -2.355 9.202 1.377 1.00 64.51 H new ATOM 0 HG22 THR A 3 -0.963 8.109 1.187 1.00 64.51 H new ATOM 0 HG23 THR A 3 -0.884 9.458 2.345 1.00 64.51 H new ATOM 41 N VAL A 4 1.655 7.727 0.748 1.00 62.50 N ATOM 42 CA VAL A 4 2.137 6.360 0.474 1.00 73.45 C ATOM 43 C VAL A 4 1.012 5.341 0.702 1.00 65.43 C ATOM 44 O VAL A 4 0.232 5.473 1.645 1.00 31.51 O ATOM 45 CB VAL A 4 3.377 5.989 1.373 1.00 32.33 C ATOM 46 CG1 VAL A 4 3.906 4.564 1.075 1.00 70.44 C ATOM 47 CG2 VAL A 4 4.502 7.024 1.196 1.00 25.41 C ATOM 0 H VAL A 4 1.583 7.943 1.742 1.00 62.50 H new ATOM 0 HA VAL A 4 2.452 6.328 -0.569 1.00 73.45 H new ATOM 0 HB VAL A 4 3.040 6.003 2.409 1.00 32.33 H new ATOM 0 HG11 VAL A 4 4.760 4.351 1.718 1.00 70.44 H new ATOM 0 HG12 VAL A 4 3.118 3.836 1.266 1.00 70.44 H new ATOM 0 HG13 VAL A 4 4.213 4.501 0.031 1.00 70.44 H new ATOM 0 HG21 VAL A 4 5.350 6.751 1.825 1.00 25.41 H new ATOM 0 HG22 VAL A 4 4.816 7.045 0.152 1.00 25.41 H new ATOM 0 HG23 VAL A 4 4.138 8.010 1.485 1.00 25.41 H new ATOM 57 N VAL A 5 0.938 4.341 -0.180 1.00 72.21 N ATOM 58 CA VAL A 5 0.019 3.205 -0.085 1.00 13.05 C ATOM 59 C VAL A 5 0.864 1.918 -0.109 1.00 40.15 C ATOM 60 O VAL A 5 1.551 1.653 -1.094 1.00 22.51 O ATOM 61 CB VAL A 5 -1.018 3.199 -1.280 1.00 4.12 C ATOM 62 CG1 VAL A 5 -1.960 1.983 -1.205 1.00 4.42 C ATOM 63 CG2 VAL A 5 -1.820 4.526 -1.349 1.00 52.50 C ATOM 0 H VAL A 5 1.535 4.299 -1.006 1.00 72.21 H new ATOM 0 HA VAL A 5 -0.556 3.275 0.838 1.00 13.05 H new ATOM 0 HB VAL A 5 -0.443 3.115 -2.202 1.00 4.12 H new ATOM 0 HG11 VAL A 5 -2.658 2.012 -2.041 1.00 4.42 H new ATOM 0 HG12 VAL A 5 -1.374 1.065 -1.253 1.00 4.42 H new ATOM 0 HG13 VAL A 5 -2.515 2.010 -0.267 1.00 4.42 H new ATOM 0 HG21 VAL A 5 -2.522 4.484 -2.182 1.00 52.50 H new ATOM 0 HG22 VAL A 5 -2.369 4.668 -0.418 1.00 52.50 H new ATOM 0 HG23 VAL A 5 -1.133 5.359 -1.495 1.00 52.50 H new ATOM 73 N ILE A 6 0.866 1.157 0.999 1.00 23.42 N ATOM 74 CA ILE A 6 1.566 -0.135 1.094 1.00 41.31 C ATOM 75 C ILE A 6 0.565 -1.278 0.879 1.00 34.25 C ATOM 76 O ILE A 6 -0.220 -1.619 1.764 1.00 21.01 O ATOM 77 CB ILE A 6 2.310 -0.286 2.478 1.00 14.42 C ATOM 78 CG1 ILE A 6 3.372 0.846 2.660 1.00 40.32 C ATOM 79 CG2 ILE A 6 2.963 -1.685 2.635 1.00 31.03 C ATOM 80 CD1 ILE A 6 4.428 0.915 1.559 1.00 51.12 C ATOM 0 H ILE A 6 0.381 1.422 1.856 1.00 23.42 H new ATOM 0 HA ILE A 6 2.327 -0.178 0.315 1.00 41.31 H new ATOM 0 HB ILE A 6 1.560 -0.189 3.263 1.00 14.42 H new ATOM 0 HG12 ILE A 6 2.856 1.805 2.710 1.00 40.32 H new ATOM 0 HG13 ILE A 6 3.874 0.704 3.617 1.00 40.32 H new ATOM 0 HG21 ILE A 6 3.464 -1.746 3.601 1.00 31.03 H new ATOM 0 HG22 ILE A 6 2.193 -2.454 2.576 1.00 31.03 H new ATOM 0 HG23 ILE A 6 3.691 -1.838 1.838 1.00 31.03 H new ATOM 0 HD11 ILE A 6 5.121 1.730 1.770 1.00 51.12 H new ATOM 0 HD12 ILE A 6 4.976 -0.027 1.521 1.00 51.12 H new ATOM 0 HD13 ILE A 6 3.942 1.091 0.599 1.00 51.12 H new ATOM 92 N VAL A 7 0.570 -1.838 -0.320 1.00 5.02 N ATOM 93 CA VAL A 7 -0.251 -2.997 -0.670 1.00 14.11 C ATOM 94 C VAL A 7 0.629 -4.246 -0.631 1.00 64.54 C ATOM 95 O VAL A 7 1.642 -4.310 -1.321 1.00 35.31 O ATOM 96 CB VAL A 7 -0.900 -2.842 -2.089 1.00 14.22 C ATOM 97 CG1 VAL A 7 -1.777 -4.061 -2.441 1.00 62.23 C ATOM 98 CG2 VAL A 7 -1.706 -1.531 -2.181 1.00 3.41 C ATOM 0 H VAL A 7 1.149 -1.501 -1.089 1.00 5.02 H new ATOM 0 HA VAL A 7 -1.065 -3.080 0.050 1.00 14.11 H new ATOM 0 HB VAL A 7 -0.095 -2.796 -2.822 1.00 14.22 H new ATOM 0 HG11 VAL A 7 -2.212 -3.922 -3.431 1.00 62.23 H new ATOM 0 HG12 VAL A 7 -1.165 -4.963 -2.437 1.00 62.23 H new ATOM 0 HG13 VAL A 7 -2.574 -4.160 -1.705 1.00 62.23 H new ATOM 0 HG21 VAL A 7 -2.147 -1.444 -3.174 1.00 3.41 H new ATOM 0 HG22 VAL A 7 -2.497 -1.537 -1.431 1.00 3.41 H new ATOM 0 HG23 VAL A 7 -1.044 -0.684 -2.003 1.00 3.41 H new ATOM 108 N VAL A 8 0.254 -5.210 0.206 1.00 65.22 N ATOM 109 CA VAL A 8 0.945 -6.491 0.349 1.00 1.51 C ATOM 110 C VAL A 8 -0.024 -7.623 -0.015 1.00 21.03 C ATOM 111 O VAL A 8 -1.127 -7.697 0.534 1.00 13.11 O ATOM 112 CB VAL A 8 1.468 -6.682 1.822 1.00 54.23 C ATOM 113 CG1 VAL A 8 2.101 -8.076 2.035 1.00 73.22 C ATOM 114 CG2 VAL A 8 2.450 -5.546 2.212 1.00 74.00 C ATOM 0 H VAL A 8 -0.557 -5.121 0.818 1.00 65.22 H new ATOM 0 HA VAL A 8 1.805 -6.510 -0.320 1.00 1.51 H new ATOM 0 HB VAL A 8 0.605 -6.623 2.485 1.00 54.23 H new ATOM 0 HG11 VAL A 8 2.448 -8.164 3.064 1.00 73.22 H new ATOM 0 HG12 VAL A 8 1.357 -8.848 1.835 1.00 73.22 H new ATOM 0 HG13 VAL A 8 2.944 -8.200 1.356 1.00 73.22 H new ATOM 0 HG21 VAL A 8 2.797 -5.700 3.234 1.00 74.00 H new ATOM 0 HG22 VAL A 8 3.303 -5.554 1.534 1.00 74.00 H new ATOM 0 HG23 VAL A 8 1.940 -4.585 2.143 1.00 74.00 H new ATOM 124 N SER A 9 0.376 -8.476 -0.962 1.00 54.14 N ATOM 125 CA SER A 9 -0.351 -9.704 -1.293 1.00 12.12 C ATOM 126 C SER A 9 0.668 -10.806 -1.595 1.00 72.04 C ATOM 127 O SER A 9 1.555 -10.623 -2.447 1.00 13.21 O ATOM 128 CB SER A 9 -1.292 -9.490 -2.504 1.00 13.40 C ATOM 129 OG SER A 9 -2.206 -8.423 -2.282 1.00 11.23 O ATOM 0 H SER A 9 1.216 -8.334 -1.523 1.00 54.14 H new ATOM 0 HA SER A 9 -0.974 -9.992 -0.446 1.00 12.12 H new ATOM 0 HB2 SER A 9 -0.698 -9.280 -3.393 1.00 13.40 H new ATOM 0 HB3 SER A 9 -1.846 -10.408 -2.700 1.00 13.40 H new ATOM 0 HG SER A 9 -2.923 -8.725 -1.685 1.00 11.23 H new ATOM 135 N ARG A 10 0.563 -11.920 -0.857 1.00 72.23 N ATOM 136 CA ARG A 10 1.344 -13.144 -1.111 1.00 42.41 C ATOM 137 C ARG A 10 0.927 -13.756 -2.463 1.00 15.15 C ATOM 138 O ARG A 10 1.745 -14.371 -3.153 1.00 72.15 O ATOM 139 CB ARG A 10 1.158 -14.147 0.058 1.00 41.24 C ATOM 140 CG ARG A 10 1.678 -13.645 1.429 1.00 10.30 C ATOM 141 CD ARG A 10 1.309 -14.577 2.596 1.00 24.01 C ATOM 142 NE ARG A 10 1.858 -15.943 2.442 1.00 1.04 N ATOM 143 CZ ARG A 10 2.074 -16.804 3.453 1.00 61.34 C ATOM 144 NH1 ARG A 10 1.797 -16.462 4.714 1.00 51.45 N ATOM 145 NH2 ARG A 10 2.576 -18.001 3.189 1.00 74.44 N ATOM 0 H ARG A 10 -0.070 -12.000 -0.061 1.00 72.23 H new ATOM 0 HA ARG A 10 2.404 -12.898 -1.167 1.00 42.41 H new ATOM 0 HB2 ARG A 10 0.098 -14.384 0.151 1.00 41.24 H new ATOM 0 HB3 ARG A 10 1.671 -15.076 -0.192 1.00 41.24 H new ATOM 0 HG2 ARG A 10 2.762 -13.542 1.383 1.00 10.30 H new ATOM 0 HG3 ARG A 10 1.272 -12.652 1.623 1.00 10.30 H new ATOM 0 HD2 ARG A 10 1.677 -14.147 3.527 1.00 24.01 H new ATOM 0 HD3 ARG A 10 0.224 -14.635 2.678 1.00 24.01 H new ATOM 0 HE ARG A 10 2.090 -16.255 1.499 1.00 1.04 H new ATOM 0 HH11 ARG A 10 1.417 -15.538 4.920 1.00 51.45 H new ATOM 0 HH12 ARG A 10 1.966 -17.125 5.471 1.00 51.45 H new ATOM 0 HH21 ARG A 10 2.795 -18.262 2.227 1.00 74.44 H new ATOM 0 HH22 ARG A 10 2.744 -18.662 3.947 1.00 74.44 H new ATOM 159 N ASP A 11 -0.359 -13.573 -2.814 1.00 24.43 N ATOM 160 CA ASP A 11 -0.876 -13.830 -4.163 1.00 73.43 C ATOM 161 C ASP A 11 -0.580 -12.613 -5.051 1.00 23.05 C ATOM 162 O ASP A 11 -1.258 -11.579 -4.946 1.00 24.44 O ATOM 163 CB ASP A 11 -2.401 -14.107 -4.137 1.00 13.31 C ATOM 164 CG ASP A 11 -2.757 -15.456 -3.503 1.00 64.22 C ATOM 165 OD1 ASP A 11 -3.006 -15.513 -2.281 1.00 3.12 O ATOM 166 OD2 ASP A 11 -2.786 -16.469 -4.229 1.00 60.11 O ATOM 0 H ASP A 11 -1.070 -13.240 -2.163 1.00 24.43 H new ATOM 0 HA ASP A 11 -0.384 -14.716 -4.565 1.00 73.43 H new ATOM 0 HB2 ASP A 11 -2.899 -13.310 -3.585 1.00 13.31 H new ATOM 0 HB3 ASP A 11 -2.787 -14.078 -5.156 1.00 13.31 H new ATOM 171 N GLU A 12 0.445 -12.742 -5.912 1.00 73.54 N ATOM 172 CA GLU A 12 0.825 -11.704 -6.902 1.00 11.01 C ATOM 173 C GLU A 12 -0.313 -11.459 -7.915 1.00 31.44 C ATOM 174 O GLU A 12 -0.393 -10.388 -8.526 1.00 53.12 O ATOM 175 CB GLU A 12 2.109 -12.124 -7.660 1.00 32.22 C ATOM 176 CG GLU A 12 3.326 -12.417 -6.766 1.00 64.11 C ATOM 177 CD GLU A 12 4.554 -12.859 -7.580 1.00 60.34 C ATOM 178 OE1 GLU A 12 5.354 -11.990 -7.998 1.00 62.31 O ATOM 179 OE2 GLU A 12 4.713 -14.074 -7.829 1.00 11.22 O ATOM 0 H GLU A 12 1.039 -13.571 -5.945 1.00 73.54 H new ATOM 0 HA GLU A 12 1.013 -10.779 -6.357 1.00 11.01 H new ATOM 0 HB2 GLU A 12 1.889 -13.013 -8.251 1.00 32.22 H new ATOM 0 HB3 GLU A 12 2.374 -11.332 -8.361 1.00 32.22 H new ATOM 0 HG2 GLU A 12 3.575 -11.525 -6.191 1.00 64.11 H new ATOM 0 HG3 GLU A 12 3.068 -13.196 -6.049 1.00 64.11 H new ATOM 186 N ARG A 13 -1.179 -12.478 -8.067 1.00 21.23 N ATOM 187 CA ARG A 13 -2.343 -12.447 -8.971 1.00 4.31 C ATOM 188 C ARG A 13 -3.357 -11.362 -8.567 1.00 12.52 C ATOM 189 O ARG A 13 -4.107 -10.875 -9.406 1.00 22.14 O ATOM 190 CB ARG A 13 -3.023 -13.838 -9.009 1.00 64.45 C ATOM 191 CG ARG A 13 -2.070 -15.000 -9.363 1.00 3.33 C ATOM 192 CD ARG A 13 -1.325 -14.787 -10.696 1.00 12.14 C ATOM 193 NE ARG A 13 -0.347 -15.851 -10.960 1.00 60.23 N ATOM 194 CZ ARG A 13 0.517 -15.867 -11.987 1.00 43.40 C ATOM 195 NH1 ARG A 13 0.554 -14.871 -12.870 1.00 34.03 N ATOM 196 NH2 ARG A 13 1.346 -16.887 -12.122 1.00 72.15 N ATOM 0 H ARG A 13 -1.088 -13.358 -7.558 1.00 21.23 H new ATOM 0 HA ARG A 13 -1.982 -12.196 -9.968 1.00 4.31 H new ATOM 0 HB2 ARG A 13 -3.474 -14.036 -8.036 1.00 64.45 H new ATOM 0 HB3 ARG A 13 -3.834 -13.814 -9.737 1.00 64.45 H new ATOM 0 HG2 ARG A 13 -1.341 -15.121 -8.562 1.00 3.33 H new ATOM 0 HG3 ARG A 13 -2.641 -15.927 -9.417 1.00 3.33 H new ATOM 0 HD2 ARG A 13 -2.047 -14.748 -11.512 1.00 12.14 H new ATOM 0 HD3 ARG A 13 -0.815 -13.824 -10.676 1.00 12.14 H new ATOM 0 HE ARG A 13 -0.323 -16.639 -10.313 1.00 60.23 H new ATOM 0 HH11 ARG A 13 -0.081 -14.079 -12.772 1.00 34.03 H new ATOM 0 HH12 ARG A 13 1.217 -14.900 -13.644 1.00 34.03 H new ATOM 0 HH21 ARG A 13 1.326 -17.653 -11.449 1.00 72.15 H new ATOM 0 HH22 ARG A 13 2.006 -16.908 -12.899 1.00 72.15 H new ATOM 210 N ILE A 14 -3.380 -11.019 -7.271 1.00 34.52 N ATOM 211 CA ILE A 14 -4.172 -9.898 -6.752 1.00 2.53 C ATOM 212 C ILE A 14 -3.479 -8.555 -7.103 1.00 10.32 C ATOM 213 O ILE A 14 -4.135 -7.641 -7.600 1.00 11.52 O ATOM 214 CB ILE A 14 -4.388 -10.035 -5.194 1.00 24.24 C ATOM 215 CG1 ILE A 14 -5.040 -11.418 -4.856 1.00 23.05 C ATOM 216 CG2 ILE A 14 -5.253 -8.874 -4.634 1.00 44.34 C ATOM 217 CD1 ILE A 14 -5.278 -11.674 -3.378 1.00 34.34 C ATOM 0 H ILE A 14 -2.849 -11.513 -6.554 1.00 34.52 H new ATOM 0 HA ILE A 14 -5.155 -9.915 -7.223 1.00 2.53 H new ATOM 0 HB ILE A 14 -3.411 -9.978 -4.715 1.00 24.24 H new ATOM 0 HG12 ILE A 14 -5.993 -11.490 -5.380 1.00 23.05 H new ATOM 0 HG13 ILE A 14 -4.400 -12.209 -5.248 1.00 23.05 H new ATOM 0 HG21 ILE A 14 -5.381 -9.001 -3.559 1.00 44.34 H new ATOM 0 HG22 ILE A 14 -4.757 -7.923 -4.831 1.00 44.34 H new ATOM 0 HG23 ILE A 14 -6.229 -8.881 -5.119 1.00 44.34 H new ATOM 0 HD11 ILE A 14 -5.732 -12.656 -3.247 1.00 34.34 H new ATOM 0 HD12 ILE A 14 -4.328 -11.640 -2.845 1.00 34.34 H new ATOM 0 HD13 ILE A 14 -5.945 -10.910 -2.979 1.00 34.34 H new ATOM 229 N LEU A 15 -2.138 -8.486 -6.894 1.00 52.35 N ATOM 230 CA LEU A 15 -1.323 -7.250 -7.098 1.00 33.31 C ATOM 231 C LEU A 15 -1.465 -6.663 -8.526 1.00 73.32 C ATOM 232 O LEU A 15 -1.586 -5.442 -8.694 1.00 5.52 O ATOM 233 CB LEU A 15 0.187 -7.532 -6.809 1.00 71.13 C ATOM 234 CG LEU A 15 0.559 -7.934 -5.344 1.00 54.13 C ATOM 235 CD1 LEU A 15 2.074 -8.242 -5.208 1.00 13.41 C ATOM 236 CD2 LEU A 15 0.115 -6.845 -4.332 1.00 25.22 C ATOM 0 H LEU A 15 -1.587 -9.285 -6.579 1.00 52.35 H new ATOM 0 HA LEU A 15 -1.709 -6.512 -6.395 1.00 33.31 H new ATOM 0 HB2 LEU A 15 0.518 -8.329 -7.475 1.00 71.13 H new ATOM 0 HB3 LEU A 15 0.756 -6.640 -7.072 1.00 71.13 H new ATOM 0 HG LEU A 15 0.015 -8.849 -5.107 1.00 54.13 H new ATOM 0 HD11 LEU A 15 2.298 -8.518 -4.178 1.00 13.41 H new ATOM 0 HD12 LEU A 15 2.339 -9.066 -5.870 1.00 13.41 H new ATOM 0 HD13 LEU A 15 2.651 -7.358 -5.481 1.00 13.41 H new ATOM 0 HD21 LEU A 15 0.387 -7.153 -3.323 1.00 25.22 H new ATOM 0 HD22 LEU A 15 0.610 -5.904 -4.570 1.00 25.22 H new ATOM 0 HD23 LEU A 15 -0.965 -6.712 -4.391 1.00 25.22 H new ATOM 248 N GLU A 16 -1.444 -7.550 -9.534 1.00 60.03 N ATOM 249 CA GLU A 16 -1.539 -7.171 -10.966 1.00 3.13 C ATOM 250 C GLU A 16 -2.947 -6.631 -11.324 1.00 13.11 C ATOM 251 O GLU A 16 -3.089 -5.768 -12.199 1.00 1.52 O ATOM 252 CB GLU A 16 -1.164 -8.386 -11.856 1.00 51.14 C ATOM 253 CG GLU A 16 -2.011 -9.648 -11.607 1.00 2.30 C ATOM 254 CD GLU A 16 -1.654 -10.824 -12.526 1.00 42.41 C ATOM 255 OE1 GLU A 16 -2.242 -10.925 -13.623 1.00 33.41 O ATOM 256 OE2 GLU A 16 -0.789 -11.655 -12.162 1.00 21.24 O ATOM 0 H GLU A 16 -1.361 -8.556 -9.385 1.00 60.03 H new ATOM 0 HA GLU A 16 -0.832 -6.363 -11.154 1.00 3.13 H new ATOM 0 HB2 GLU A 16 -1.264 -8.098 -12.902 1.00 51.14 H new ATOM 0 HB3 GLU A 16 -0.115 -8.630 -11.691 1.00 51.14 H new ATOM 0 HG2 GLU A 16 -1.887 -9.959 -10.570 1.00 2.30 H new ATOM 0 HG3 GLU A 16 -3.064 -9.400 -11.742 1.00 2.30 H new ATOM 263 N GLU A 17 -3.978 -7.147 -10.631 1.00 4.20 N ATOM 264 CA GLU A 17 -5.369 -6.678 -10.772 1.00 43.52 C ATOM 265 C GLU A 17 -5.533 -5.283 -10.143 1.00 45.35 C ATOM 266 O GLU A 17 -6.193 -4.405 -10.712 1.00 60.31 O ATOM 267 CB GLU A 17 -6.322 -7.681 -10.083 1.00 41.03 C ATOM 268 CG GLU A 17 -6.311 -9.094 -10.688 1.00 65.51 C ATOM 269 CD GLU A 17 -6.952 -9.191 -12.079 1.00 55.04 C ATOM 270 OE1 GLU A 17 -6.333 -9.754 -13.010 1.00 3.42 O ATOM 271 OE2 GLU A 17 -8.100 -8.721 -12.240 1.00 2.23 O ATOM 0 H GLU A 17 -3.870 -7.903 -9.955 1.00 4.20 H new ATOM 0 HA GLU A 17 -5.615 -6.610 -11.832 1.00 43.52 H new ATOM 0 HB2 GLU A 17 -6.055 -7.750 -9.028 1.00 41.03 H new ATOM 0 HB3 GLU A 17 -7.338 -7.288 -10.130 1.00 41.03 H new ATOM 0 HG2 GLU A 17 -5.280 -9.441 -10.751 1.00 65.51 H new ATOM 0 HG3 GLU A 17 -6.834 -9.770 -10.012 1.00 65.51 H new ATOM 278 N LEU A 18 -4.912 -5.112 -8.961 1.00 61.33 N ATOM 279 CA LEU A 18 -4.917 -3.852 -8.193 1.00 13.33 C ATOM 280 C LEU A 18 -4.159 -2.744 -8.943 1.00 50.02 C ATOM 281 O LEU A 18 -4.475 -1.557 -8.799 1.00 44.30 O ATOM 282 CB LEU A 18 -4.281 -4.087 -6.797 1.00 41.43 C ATOM 283 CG LEU A 18 -4.989 -5.129 -5.881 1.00 61.14 C ATOM 284 CD1 LEU A 18 -4.245 -5.307 -4.544 1.00 72.44 C ATOM 285 CD2 LEU A 18 -6.453 -4.754 -5.646 1.00 24.42 C ATOM 0 H LEU A 18 -4.384 -5.857 -8.505 1.00 61.33 H new ATOM 0 HA LEU A 18 -5.950 -3.527 -8.069 1.00 13.33 H new ATOM 0 HB2 LEU A 18 -3.248 -4.404 -6.941 1.00 41.43 H new ATOM 0 HB3 LEU A 18 -4.251 -3.133 -6.270 1.00 41.43 H new ATOM 0 HG LEU A 18 -4.965 -6.087 -6.401 1.00 61.14 H new ATOM 0 HD11 LEU A 18 -4.768 -6.041 -3.931 1.00 72.44 H new ATOM 0 HD12 LEU A 18 -3.229 -5.652 -4.736 1.00 72.44 H new ATOM 0 HD13 LEU A 18 -4.211 -4.353 -4.017 1.00 72.44 H new ATOM 0 HD21 LEU A 18 -6.921 -5.500 -5.003 1.00 24.42 H new ATOM 0 HD22 LEU A 18 -6.506 -3.777 -5.166 1.00 24.42 H new ATOM 0 HD23 LEU A 18 -6.977 -4.718 -6.601 1.00 24.42 H new ATOM 297 N LEU A 19 -3.151 -3.163 -9.731 1.00 32.24 N ATOM 298 CA LEU A 19 -2.383 -2.284 -10.626 1.00 30.41 C ATOM 299 C LEU A 19 -3.322 -1.601 -11.635 1.00 52.24 C ATOM 300 O LEU A 19 -3.288 -0.372 -11.801 1.00 21.34 O ATOM 301 CB LEU A 19 -1.288 -3.108 -11.359 1.00 14.23 C ATOM 302 CG LEU A 19 -0.397 -2.331 -12.383 1.00 43.20 C ATOM 303 CD1 LEU A 19 0.403 -1.203 -11.699 1.00 30.24 C ATOM 304 CD2 LEU A 19 0.532 -3.293 -13.153 1.00 35.41 C ATOM 0 H LEU A 19 -2.845 -4.135 -9.763 1.00 32.24 H new ATOM 0 HA LEU A 19 -1.897 -1.507 -10.036 1.00 30.41 H new ATOM 0 HB2 LEU A 19 -0.635 -3.552 -10.607 1.00 14.23 H new ATOM 0 HB3 LEU A 19 -1.774 -3.930 -11.885 1.00 14.23 H new ATOM 0 HG LEU A 19 -1.063 -1.861 -13.107 1.00 43.20 H new ATOM 0 HD11 LEU A 19 1.010 -0.686 -12.442 1.00 30.24 H new ATOM 0 HD12 LEU A 19 -0.287 -0.496 -11.238 1.00 30.24 H new ATOM 0 HD13 LEU A 19 1.051 -1.629 -10.934 1.00 30.24 H new ATOM 0 HD21 LEU A 19 1.140 -2.726 -13.858 1.00 35.41 H new ATOM 0 HD22 LEU A 19 1.182 -3.812 -12.449 1.00 35.41 H new ATOM 0 HD23 LEU A 19 -0.069 -4.022 -13.697 1.00 35.41 H new ATOM 316 N GLU A 20 -4.193 -2.422 -12.256 1.00 3.30 N ATOM 317 CA GLU A 20 -5.196 -1.956 -13.231 1.00 14.43 C ATOM 318 C GLU A 20 -6.207 -0.999 -12.579 1.00 64.50 C ATOM 319 O GLU A 20 -6.652 -0.051 -13.221 1.00 3.34 O ATOM 320 CB GLU A 20 -5.952 -3.151 -13.854 1.00 71.35 C ATOM 321 CG GLU A 20 -5.072 -4.179 -14.585 1.00 0.45 C ATOM 322 CD GLU A 20 -5.909 -5.320 -15.178 1.00 64.14 C ATOM 323 OE1 GLU A 20 -6.465 -5.151 -16.282 1.00 4.45 O ATOM 324 OE2 GLU A 20 -6.048 -6.370 -14.520 1.00 31.41 O ATOM 0 H GLU A 20 -4.219 -3.429 -12.094 1.00 3.30 H new ATOM 0 HA GLU A 20 -4.660 -1.420 -14.014 1.00 14.43 H new ATOM 0 HB2 GLU A 20 -6.501 -3.664 -13.064 1.00 71.35 H new ATOM 0 HB3 GLU A 20 -6.691 -2.765 -14.557 1.00 71.35 H new ATOM 0 HG2 GLU A 20 -4.517 -3.683 -15.381 1.00 0.45 H new ATOM 0 HG3 GLU A 20 -4.337 -4.588 -13.891 1.00 0.45 H new ATOM 331 N VAL A 21 -6.550 -1.265 -11.301 1.00 0.22 N ATOM 332 CA VAL A 21 -7.509 -0.446 -10.531 1.00 14.34 C ATOM 333 C VAL A 21 -6.990 1.002 -10.368 1.00 62.23 C ATOM 334 O VAL A 21 -7.768 1.964 -10.487 1.00 55.31 O ATOM 335 CB VAL A 21 -7.813 -1.093 -9.123 1.00 61.33 C ATOM 336 CG1 VAL A 21 -8.723 -0.199 -8.253 1.00 65.32 C ATOM 337 CG2 VAL A 21 -8.429 -2.500 -9.285 1.00 10.41 C ATOM 0 H VAL A 21 -6.170 -2.052 -10.775 1.00 0.22 H new ATOM 0 HA VAL A 21 -8.443 -0.413 -11.092 1.00 14.34 H new ATOM 0 HB VAL A 21 -6.859 -1.186 -8.604 1.00 61.33 H new ATOM 0 HG11 VAL A 21 -8.903 -0.687 -7.295 1.00 65.32 H new ATOM 0 HG12 VAL A 21 -8.236 0.762 -8.085 1.00 65.32 H new ATOM 0 HG13 VAL A 21 -9.673 -0.040 -8.764 1.00 65.32 H new ATOM 0 HG21 VAL A 21 -8.629 -2.925 -8.301 1.00 10.41 H new ATOM 0 HG22 VAL A 21 -9.361 -2.427 -9.845 1.00 10.41 H new ATOM 0 HG23 VAL A 21 -7.732 -3.143 -9.823 1.00 10.41 H new ATOM 347 N VAL A 22 -5.667 1.146 -10.123 1.00 44.32 N ATOM 348 CA VAL A 22 -5.014 2.471 -10.053 1.00 22.23 C ATOM 349 C VAL A 22 -5.099 3.167 -11.427 1.00 71.25 C ATOM 350 O VAL A 22 -5.456 4.341 -11.515 1.00 4.01 O ATOM 351 CB VAL A 22 -3.503 2.390 -9.620 1.00 22.14 C ATOM 352 CG1 VAL A 22 -2.893 3.808 -9.447 1.00 45.23 C ATOM 353 CG2 VAL A 22 -3.328 1.548 -8.340 1.00 12.34 C ATOM 0 H VAL A 22 -5.033 0.362 -9.971 1.00 44.32 H new ATOM 0 HA VAL A 22 -5.546 3.041 -9.291 1.00 22.23 H new ATOM 0 HB VAL A 22 -2.958 1.888 -10.420 1.00 22.14 H new ATOM 0 HG11 VAL A 22 -1.849 3.721 -9.148 1.00 45.23 H new ATOM 0 HG12 VAL A 22 -2.956 4.349 -10.391 1.00 45.23 H new ATOM 0 HG13 VAL A 22 -3.446 4.351 -8.680 1.00 45.23 H new ATOM 0 HG21 VAL A 22 -2.273 1.513 -8.069 1.00 12.34 H new ATOM 0 HG22 VAL A 22 -3.896 2.000 -7.527 1.00 12.34 H new ATOM 0 HG23 VAL A 22 -3.691 0.536 -8.518 1.00 12.34 H new ATOM 363 N LEU A 23 -4.801 2.394 -12.491 1.00 35.41 N ATOM 364 CA LEU A 23 -4.789 2.891 -13.885 1.00 13.24 C ATOM 365 C LEU A 23 -6.190 3.375 -14.338 1.00 0.13 C ATOM 366 O LEU A 23 -6.294 4.263 -15.191 1.00 10.14 O ATOM 367 CB LEU A 23 -4.259 1.782 -14.843 1.00 63.51 C ATOM 368 CG LEU A 23 -2.815 1.249 -14.546 1.00 33.13 C ATOM 369 CD1 LEU A 23 -2.393 0.155 -15.557 1.00 71.12 C ATOM 370 CD2 LEU A 23 -1.776 2.398 -14.487 1.00 74.11 C ATOM 0 H LEU A 23 -4.561 1.406 -12.409 1.00 35.41 H new ATOM 0 HA LEU A 23 -4.120 3.751 -13.926 1.00 13.24 H new ATOM 0 HB2 LEU A 23 -4.950 0.940 -14.809 1.00 63.51 H new ATOM 0 HB3 LEU A 23 -4.279 2.170 -15.862 1.00 63.51 H new ATOM 0 HG LEU A 23 -2.842 0.789 -13.558 1.00 33.13 H new ATOM 0 HD11 LEU A 23 -1.387 -0.191 -15.320 1.00 71.12 H new ATOM 0 HD12 LEU A 23 -3.088 -0.683 -15.498 1.00 71.12 H new ATOM 0 HD13 LEU A 23 -2.407 0.567 -16.566 1.00 71.12 H new ATOM 0 HD21 LEU A 23 -0.789 1.985 -14.279 1.00 74.11 H new ATOM 0 HD22 LEU A 23 -1.757 2.921 -15.443 1.00 74.11 H new ATOM 0 HD23 LEU A 23 -2.051 3.097 -13.697 1.00 74.11 H new ATOM 382 N LYS A 24 -7.251 2.778 -13.758 1.00 63.12 N ATOM 383 CA LYS A 24 -8.653 3.164 -14.029 1.00 72.14 C ATOM 384 C LYS A 24 -9.011 4.470 -13.292 1.00 25.21 C ATOM 385 O LYS A 24 -9.634 5.372 -13.869 1.00 23.44 O ATOM 386 CB LYS A 24 -9.637 2.038 -13.580 1.00 4.14 C ATOM 387 CG LYS A 24 -9.511 0.700 -14.335 1.00 2.01 C ATOM 388 CD LYS A 24 -9.743 0.837 -15.853 1.00 33.34 C ATOM 389 CE LYS A 24 -9.713 -0.519 -16.579 1.00 35.02 C ATOM 390 NZ LYS A 24 -8.445 -1.259 -16.338 1.00 11.45 N ATOM 0 H LYS A 24 -7.161 2.014 -13.088 1.00 63.12 H new ATOM 0 HA LYS A 24 -8.750 3.317 -15.104 1.00 72.14 H new ATOM 0 HB2 LYS A 24 -9.484 1.850 -12.517 1.00 4.14 H new ATOM 0 HB3 LYS A 24 -10.657 2.405 -13.696 1.00 4.14 H new ATOM 0 HG2 LYS A 24 -8.519 0.284 -14.161 1.00 2.01 H new ATOM 0 HG3 LYS A 24 -10.230 -0.010 -13.926 1.00 2.01 H new ATOM 0 HD2 LYS A 24 -10.705 1.318 -16.028 1.00 33.34 H new ATOM 0 HD3 LYS A 24 -8.979 1.489 -16.277 1.00 33.34 H new ATOM 0 HE2 LYS A 24 -10.555 -1.126 -16.246 1.00 35.02 H new ATOM 0 HE3 LYS A 24 -9.840 -0.359 -17.650 1.00 35.02 H new ATOM 0 HZ1 LYS A 24 -8.427 -2.117 -16.926 1.00 11.45 H new ATOM 0 HZ2 LYS A 24 -7.637 -0.653 -16.585 1.00 11.45 H new ATOM 0 HZ3 LYS A 24 -8.384 -1.525 -15.335 1.00 11.45 H new ATOM 404 N SER A 25 -8.606 4.544 -12.011 1.00 65.10 N ATOM 405 CA SER A 25 -8.995 5.632 -11.102 1.00 55.21 C ATOM 406 C SER A 25 -8.195 6.917 -11.391 1.00 74.31 C ATOM 407 O SER A 25 -8.778 7.963 -11.711 1.00 31.43 O ATOM 408 CB SER A 25 -8.805 5.182 -9.643 1.00 33.44 C ATOM 409 OG SER A 25 -9.565 4.015 -9.355 1.00 63.23 O ATOM 0 H SER A 25 -7.998 3.848 -11.578 1.00 65.10 H new ATOM 0 HA SER A 25 -10.047 5.862 -11.267 1.00 55.21 H new ATOM 0 HB2 SER A 25 -7.749 4.985 -9.456 1.00 33.44 H new ATOM 0 HB3 SER A 25 -9.103 5.987 -8.971 1.00 33.44 H new ATOM 0 HG SER A 25 -9.087 3.224 -9.681 1.00 63.23 H new ATOM 415 N ASP A 26 -6.861 6.821 -11.284 1.00 71.44 N ATOM 416 CA ASP A 26 -5.950 7.947 -11.543 1.00 33.13 C ATOM 417 C ASP A 26 -4.542 7.421 -11.927 1.00 44.55 C ATOM 418 O ASP A 26 -3.858 6.824 -11.085 1.00 62.21 O ATOM 419 CB ASP A 26 -5.871 8.879 -10.305 1.00 44.54 C ATOM 420 CG ASP A 26 -5.008 10.127 -10.556 1.00 41.44 C ATOM 421 OD1 ASP A 26 -3.823 10.125 -10.202 1.00 50.11 O ATOM 422 OD2 ASP A 26 -5.513 11.105 -11.145 1.00 5.31 O ATOM 0 H ASP A 26 -6.383 5.961 -11.016 1.00 71.44 H new ATOM 0 HA ASP A 26 -6.341 8.527 -12.379 1.00 33.13 H new ATOM 0 HB2 ASP A 26 -6.877 9.189 -10.024 1.00 44.54 H new ATOM 0 HB3 ASP A 26 -5.461 8.323 -9.462 1.00 44.54 H new ATOM 427 N PRO A 27 -4.090 7.634 -13.210 1.00 41.32 N ATOM 428 CA PRO A 27 -2.771 7.153 -13.698 1.00 75.33 C ATOM 429 C PRO A 27 -1.597 8.067 -13.274 1.00 33.52 C ATOM 430 O PRO A 27 -0.428 7.729 -13.499 1.00 22.21 O ATOM 431 CB PRO A 27 -2.947 7.138 -15.253 1.00 73.11 C ATOM 432 CG PRO A 27 -4.364 7.602 -15.526 1.00 10.13 C ATOM 433 CD PRO A 27 -4.810 8.349 -14.295 1.00 23.13 C ATOM 0 HA PRO A 27 -2.512 6.181 -13.278 1.00 75.33 H new ATOM 0 HB2 PRO A 27 -2.223 7.797 -15.732 1.00 73.11 H new ATOM 0 HB3 PRO A 27 -2.782 6.138 -15.653 1.00 73.11 H new ATOM 0 HG2 PRO A 27 -4.400 8.245 -16.405 1.00 10.13 H new ATOM 0 HG3 PRO A 27 -5.019 6.754 -15.725 1.00 10.13 H new ATOM 0 HD2 PRO A 27 -4.536 9.403 -14.338 1.00 23.13 H new ATOM 0 HD3 PRO A 27 -5.891 8.305 -14.163 1.00 23.13 H new ATOM 441 N ASN A 28 -1.926 9.230 -12.674 1.00 4.44 N ATOM 442 CA ASN A 28 -0.931 10.231 -12.225 1.00 13.24 C ATOM 443 C ASN A 28 -0.273 9.769 -10.914 1.00 64.51 C ATOM 444 O ASN A 28 0.820 10.231 -10.563 1.00 3.21 O ATOM 445 CB ASN A 28 -1.592 11.626 -12.055 1.00 44.43 C ATOM 446 CG ASN A 28 -2.294 12.109 -13.331 1.00 2.11 C ATOM 447 OD1 ASN A 28 -1.701 12.774 -14.183 1.00 62.55 O ATOM 448 ND2 ASN A 28 -3.568 11.782 -13.469 1.00 45.42 N ATOM 0 H ASN A 28 -2.891 9.503 -12.486 1.00 4.44 H new ATOM 0 HA ASN A 28 -0.157 10.321 -12.987 1.00 13.24 H new ATOM 0 HB2 ASN A 28 -2.316 11.584 -11.241 1.00 44.43 H new ATOM 0 HB3 ASN A 28 -0.831 12.351 -11.767 1.00 44.43 H new ATOM 0 HD21 ASN A 28 -4.085 12.081 -14.296 1.00 45.42 H new ATOM 0 HD22 ASN A 28 -4.034 11.231 -12.748 1.00 45.42 H new ATOM 455 N VAL A 29 -0.969 8.871 -10.197 1.00 20.10 N ATOM 456 CA VAL A 29 -0.403 8.119 -9.070 1.00 52.03 C ATOM 457 C VAL A 29 0.683 7.164 -9.585 1.00 70.14 C ATOM 458 O VAL A 29 0.465 6.444 -10.566 1.00 12.13 O ATOM 459 CB VAL A 29 -1.514 7.294 -8.317 1.00 12.20 C ATOM 460 CG1 VAL A 29 -0.927 6.438 -7.165 1.00 52.01 C ATOM 461 CG2 VAL A 29 -2.620 8.229 -7.802 1.00 21.32 C ATOM 0 H VAL A 29 -1.946 8.647 -10.386 1.00 20.10 H new ATOM 0 HA VAL A 29 0.028 8.832 -8.367 1.00 52.03 H new ATOM 0 HB VAL A 29 -1.950 6.600 -9.035 1.00 12.20 H new ATOM 0 HG11 VAL A 29 -1.730 5.887 -6.675 1.00 52.01 H new ATOM 0 HG12 VAL A 29 -0.199 5.735 -7.569 1.00 52.01 H new ATOM 0 HG13 VAL A 29 -0.439 7.089 -6.440 1.00 52.01 H new ATOM 0 HG21 VAL A 29 -3.380 7.643 -7.284 1.00 21.32 H new ATOM 0 HG22 VAL A 29 -2.190 8.956 -7.113 1.00 21.32 H new ATOM 0 HG23 VAL A 29 -3.076 8.752 -8.643 1.00 21.32 H new ATOM 471 N LYS A 30 1.845 7.176 -8.922 1.00 53.52 N ATOM 472 CA LYS A 30 2.960 6.279 -9.238 1.00 12.51 C ATOM 473 C LYS A 30 2.668 4.874 -8.676 1.00 30.12 C ATOM 474 O LYS A 30 2.163 4.753 -7.569 1.00 12.51 O ATOM 475 CB LYS A 30 4.274 6.864 -8.647 1.00 32.05 C ATOM 476 CG LYS A 30 5.542 6.022 -8.900 1.00 64.21 C ATOM 477 CD LYS A 30 5.799 5.785 -10.403 1.00 11.13 C ATOM 478 CE LYS A 30 7.040 4.927 -10.670 1.00 0.23 C ATOM 479 NZ LYS A 30 7.220 4.660 -12.122 1.00 2.23 N ATOM 0 H LYS A 30 2.038 7.811 -8.148 1.00 53.52 H new ATOM 0 HA LYS A 30 3.078 6.193 -10.318 1.00 12.51 H new ATOM 0 HB2 LYS A 30 4.429 7.859 -9.064 1.00 32.05 H new ATOM 0 HB3 LYS A 30 4.147 6.985 -7.571 1.00 32.05 H new ATOM 0 HG2 LYS A 30 6.403 6.526 -8.462 1.00 64.21 H new ATOM 0 HG3 LYS A 30 5.444 5.061 -8.395 1.00 64.21 H new ATOM 0 HD2 LYS A 30 4.927 5.300 -10.843 1.00 11.13 H new ATOM 0 HD3 LYS A 30 5.915 6.747 -10.902 1.00 11.13 H new ATOM 0 HE2 LYS A 30 7.923 5.433 -10.280 1.00 0.23 H new ATOM 0 HE3 LYS A 30 6.952 3.982 -10.134 1.00 0.23 H new ATOM 0 HZ1 LYS A 30 8.069 4.077 -12.265 1.00 2.23 H new ATOM 0 HZ2 LYS A 30 6.388 4.155 -12.488 1.00 2.23 H new ATOM 0 HZ3 LYS A 30 7.329 5.561 -12.630 1.00 2.23 H new ATOM 493 N THR A 31 2.934 3.813 -9.454 1.00 10.24 N ATOM 494 CA THR A 31 2.789 2.421 -8.987 1.00 71.51 C ATOM 495 C THR A 31 4.097 1.667 -9.179 1.00 63.11 C ATOM 496 O THR A 31 4.735 1.790 -10.232 1.00 0.54 O ATOM 497 CB THR A 31 1.645 1.683 -9.741 1.00 42.45 C ATOM 498 OG1 THR A 31 1.834 1.806 -11.157 1.00 10.54 O ATOM 499 CG2 THR A 31 0.264 2.216 -9.358 1.00 54.24 C ATOM 0 H THR A 31 3.254 3.892 -10.419 1.00 10.24 H new ATOM 0 HA THR A 31 2.535 2.451 -7.928 1.00 71.51 H new ATOM 0 HB THR A 31 1.687 0.634 -9.449 1.00 42.45 H new ATOM 0 HG1 THR A 31 1.036 1.480 -11.623 1.00 10.54 H new ATOM 0 HG21 THR A 31 -0.502 1.671 -9.909 1.00 54.24 H new ATOM 0 HG22 THR A 31 0.106 2.082 -8.288 1.00 54.24 H new ATOM 0 HG23 THR A 31 0.202 3.276 -9.603 1.00 54.24 H new ATOM 507 N VAL A 32 4.500 0.895 -8.154 1.00 30.21 N ATOM 508 CA VAL A 32 5.757 0.128 -8.152 1.00 41.10 C ATOM 509 C VAL A 32 5.496 -1.261 -7.554 1.00 5.14 C ATOM 510 O VAL A 32 5.261 -1.373 -6.347 1.00 52.24 O ATOM 511 CB VAL A 32 6.893 0.854 -7.323 1.00 13.03 C ATOM 512 CG1 VAL A 32 8.234 0.077 -7.398 1.00 64.12 C ATOM 513 CG2 VAL A 32 7.064 2.329 -7.763 1.00 23.33 C ATOM 0 H VAL A 32 3.957 0.786 -7.297 1.00 30.21 H new ATOM 0 HA VAL A 32 6.103 0.044 -9.182 1.00 41.10 H new ATOM 0 HB VAL A 32 6.580 0.863 -6.279 1.00 13.03 H new ATOM 0 HG11 VAL A 32 8.992 0.603 -6.818 1.00 64.12 H new ATOM 0 HG12 VAL A 32 8.097 -0.925 -6.992 1.00 64.12 H new ATOM 0 HG13 VAL A 32 8.556 0.007 -8.437 1.00 64.12 H new ATOM 0 HG21 VAL A 32 7.852 2.796 -7.172 1.00 23.33 H new ATOM 0 HG22 VAL A 32 7.332 2.365 -8.819 1.00 23.33 H new ATOM 0 HG23 VAL A 32 6.128 2.866 -7.608 1.00 23.33 H new ATOM 523 N ARG A 33 5.553 -2.314 -8.387 1.00 35.20 N ATOM 524 CA ARG A 33 5.351 -3.697 -7.937 1.00 33.43 C ATOM 525 C ARG A 33 6.731 -4.326 -7.713 1.00 32.03 C ATOM 526 O ARG A 33 7.361 -4.831 -8.650 1.00 23.22 O ATOM 527 CB ARG A 33 4.504 -4.516 -8.946 1.00 11.05 C ATOM 528 CG ARG A 33 4.228 -5.977 -8.507 1.00 12.31 C ATOM 529 CD ARG A 33 3.435 -6.776 -9.557 1.00 55.35 C ATOM 530 NE ARG A 33 4.105 -6.777 -10.873 1.00 33.41 N ATOM 531 CZ ARG A 33 3.696 -7.457 -11.956 1.00 5.15 C ATOM 532 NH1 ARG A 33 2.598 -8.212 -11.925 1.00 43.04 N ATOM 533 NH2 ARG A 33 4.405 -7.377 -13.067 1.00 51.25 N ATOM 0 H ARG A 33 5.740 -2.229 -9.386 1.00 35.20 H new ATOM 0 HA ARG A 33 4.786 -3.701 -7.005 1.00 33.43 H new ATOM 0 HB2 ARG A 33 3.552 -4.009 -9.099 1.00 11.05 H new ATOM 0 HB3 ARG A 33 5.017 -4.528 -9.908 1.00 11.05 H new ATOM 0 HG2 ARG A 33 5.176 -6.479 -8.315 1.00 12.31 H new ATOM 0 HG3 ARG A 33 3.675 -5.971 -7.568 1.00 12.31 H new ATOM 0 HD2 ARG A 33 3.310 -7.803 -9.213 1.00 55.35 H new ATOM 0 HD3 ARG A 33 2.437 -6.350 -9.659 1.00 55.35 H new ATOM 0 HE ARG A 33 4.950 -6.213 -10.967 1.00 33.41 H new ATOM 0 HH11 ARG A 33 2.051 -8.281 -11.067 1.00 43.04 H new ATOM 0 HH12 ARG A 33 2.305 -8.720 -12.759 1.00 43.04 H new ATOM 0 HH21 ARG A 33 5.249 -6.805 -13.093 1.00 51.25 H new ATOM 0 HH22 ARG A 33 4.109 -7.887 -13.899 1.00 51.25 H new ATOM 547 N THR A 34 7.218 -4.225 -6.478 1.00 13.12 N ATOM 548 CA THR A 34 8.552 -4.682 -6.071 1.00 15.34 C ATOM 549 C THR A 34 8.431 -5.771 -4.984 1.00 30.41 C ATOM 550 O THR A 34 7.329 -6.133 -4.573 1.00 20.33 O ATOM 551 CB THR A 34 9.420 -3.459 -5.592 1.00 31.42 C ATOM 552 OG1 THR A 34 10.718 -3.889 -5.147 1.00 11.33 O ATOM 553 CG2 THR A 34 8.733 -2.652 -4.474 1.00 13.13 C ATOM 0 H THR A 34 6.686 -3.814 -5.711 1.00 13.12 H new ATOM 0 HA THR A 34 9.061 -5.129 -6.925 1.00 15.34 H new ATOM 0 HB THR A 34 9.532 -2.806 -6.457 1.00 31.42 H new ATOM 0 HG1 THR A 34 10.842 -3.637 -4.208 1.00 11.33 H new ATOM 0 HG21 THR A 34 9.373 -1.820 -4.180 1.00 13.13 H new ATOM 0 HG22 THR A 34 7.780 -2.266 -4.837 1.00 13.13 H new ATOM 0 HG23 THR A 34 8.559 -3.298 -3.613 1.00 13.13 H new ATOM 561 N ASP A 35 9.576 -6.326 -4.579 1.00 13.22 N ATOM 562 CA ASP A 35 9.676 -7.300 -3.477 1.00 20.41 C ATOM 563 C ASP A 35 10.708 -6.817 -2.434 1.00 34.55 C ATOM 564 O ASP A 35 10.623 -7.164 -1.245 1.00 71.30 O ATOM 565 CB ASP A 35 10.063 -8.686 -4.053 1.00 41.11 C ATOM 566 CG ASP A 35 10.258 -9.771 -2.981 1.00 64.51 C ATOM 567 OD1 ASP A 35 9.267 -10.171 -2.343 1.00 71.12 O ATOM 568 OD2 ASP A 35 11.387 -10.271 -2.807 1.00 60.40 O ATOM 0 H ASP A 35 10.475 -6.112 -5.010 1.00 13.22 H new ATOM 0 HA ASP A 35 8.713 -7.390 -2.974 1.00 20.41 H new ATOM 0 HB2 ASP A 35 9.288 -9.010 -4.748 1.00 41.11 H new ATOM 0 HB3 ASP A 35 10.984 -8.586 -4.627 1.00 41.11 H new ATOM 573 N ASP A 36 11.668 -5.992 -2.892 1.00 45.05 N ATOM 574 CA ASP A 36 12.778 -5.513 -2.065 1.00 42.54 C ATOM 575 C ASP A 36 12.319 -4.313 -1.207 1.00 74.20 C ATOM 576 O ASP A 36 11.764 -3.337 -1.725 1.00 54.21 O ATOM 577 CB ASP A 36 13.981 -5.124 -2.964 1.00 23.44 C ATOM 578 CG ASP A 36 15.310 -4.972 -2.191 1.00 64.42 C ATOM 579 OD1 ASP A 36 15.399 -4.113 -1.312 1.00 41.44 O ATOM 580 OD2 ASP A 36 16.279 -5.712 -2.471 1.00 52.40 O ATOM 0 H ASP A 36 11.691 -5.641 -3.849 1.00 45.05 H new ATOM 0 HA ASP A 36 13.096 -6.311 -1.394 1.00 42.54 H new ATOM 0 HB2 ASP A 36 14.105 -5.882 -3.737 1.00 23.44 H new ATOM 0 HB3 ASP A 36 13.756 -4.185 -3.471 1.00 23.44 H new ATOM 585 N LYS A 37 12.605 -4.412 0.100 1.00 51.21 N ATOM 586 CA LYS A 37 12.230 -3.434 1.146 1.00 14.13 C ATOM 587 C LYS A 37 12.823 -2.021 0.895 1.00 55.21 C ATOM 588 O LYS A 37 12.134 -1.011 1.105 1.00 75.34 O ATOM 589 CB LYS A 37 12.654 -3.965 2.568 1.00 60.23 C ATOM 590 CG LYS A 37 14.183 -3.961 2.893 1.00 53.24 C ATOM 591 CD LYS A 37 15.039 -4.829 1.935 1.00 15.51 C ATOM 592 CE LYS A 37 16.547 -4.568 2.053 1.00 0.53 C ATOM 593 NZ LYS A 37 17.295 -5.194 0.930 1.00 33.43 N ATOM 0 H LYS A 37 13.124 -5.205 0.477 1.00 51.21 H new ATOM 0 HA LYS A 37 11.146 -3.329 1.105 1.00 14.13 H new ATOM 0 HB2 LYS A 37 12.145 -3.364 3.321 1.00 60.23 H new ATOM 0 HB3 LYS A 37 12.287 -4.986 2.673 1.00 60.23 H new ATOM 0 HG2 LYS A 37 14.548 -2.934 2.858 1.00 53.24 H new ATOM 0 HG3 LYS A 37 14.327 -4.316 3.913 1.00 53.24 H new ATOM 0 HD2 LYS A 37 14.844 -5.882 2.139 1.00 15.51 H new ATOM 0 HD3 LYS A 37 14.725 -4.640 0.908 1.00 15.51 H new ATOM 0 HE2 LYS A 37 16.732 -3.494 2.062 1.00 0.53 H new ATOM 0 HE3 LYS A 37 16.913 -4.962 3.001 1.00 0.53 H new ATOM 0 HZ1 LYS A 37 18.013 -5.844 1.310 1.00 33.43 H new ATOM 0 HZ2 LYS A 37 16.635 -5.723 0.325 1.00 33.43 H new ATOM 0 HZ3 LYS A 37 17.762 -4.454 0.368 1.00 33.43 H new ATOM 607 N GLU A 38 14.095 -1.963 0.435 1.00 31.14 N ATOM 608 CA GLU A 38 14.826 -0.689 0.269 1.00 22.30 C ATOM 609 C GLU A 38 14.347 0.011 -1.001 1.00 4.45 C ATOM 610 O GLU A 38 14.300 1.240 -1.043 1.00 62.14 O ATOM 611 CB GLU A 38 16.371 -0.918 0.258 1.00 50.02 C ATOM 612 CG GLU A 38 16.981 -1.386 -1.081 1.00 32.14 C ATOM 613 CD GLU A 38 18.424 -1.896 -0.960 1.00 71.03 C ATOM 614 OE1 GLU A 38 19.371 -1.109 -1.180 1.00 64.14 O ATOM 615 OE2 GLU A 38 18.622 -3.091 -0.639 1.00 55.23 O ATOM 0 H GLU A 38 14.635 -2.787 0.172 1.00 31.14 H new ATOM 0 HA GLU A 38 14.614 -0.043 1.121 1.00 22.30 H new ATOM 0 HB2 GLU A 38 16.857 0.013 0.549 1.00 50.02 H new ATOM 0 HB3 GLU A 38 16.613 -1.657 1.022 1.00 50.02 H new ATOM 0 HG2 GLU A 38 16.359 -2.179 -1.495 1.00 32.14 H new ATOM 0 HG3 GLU A 38 16.956 -0.558 -1.790 1.00 32.14 H new ATOM 622 N LYS A 39 13.958 -0.799 -2.018 1.00 42.01 N ATOM 623 CA LYS A 39 13.399 -0.294 -3.281 1.00 11.42 C ATOM 624 C LYS A 39 12.093 0.470 -3.023 1.00 74.10 C ATOM 625 O LYS A 39 11.874 1.535 -3.604 1.00 1.54 O ATOM 626 CB LYS A 39 13.168 -1.449 -4.291 1.00 54.52 C ATOM 627 CG LYS A 39 12.566 -1.023 -5.661 1.00 3.22 C ATOM 628 CD LYS A 39 13.414 0.044 -6.400 1.00 11.51 C ATOM 629 CE LYS A 39 12.839 0.423 -7.776 1.00 52.14 C ATOM 630 NZ LYS A 39 13.603 1.543 -8.393 1.00 34.32 N ATOM 0 H LYS A 39 14.026 -1.816 -1.978 1.00 42.01 H new ATOM 0 HA LYS A 39 14.122 0.394 -3.720 1.00 11.42 H new ATOM 0 HB2 LYS A 39 14.120 -1.949 -4.471 1.00 54.52 H new ATOM 0 HB3 LYS A 39 12.504 -2.183 -3.833 1.00 54.52 H new ATOM 0 HG2 LYS A 39 12.469 -1.903 -6.296 1.00 3.22 H new ATOM 0 HG3 LYS A 39 11.561 -0.632 -5.502 1.00 3.22 H new ATOM 0 HD2 LYS A 39 13.481 0.939 -5.781 1.00 11.51 H new ATOM 0 HD3 LYS A 39 14.429 -0.332 -6.528 1.00 11.51 H new ATOM 0 HE2 LYS A 39 12.866 -0.445 -8.435 1.00 52.14 H new ATOM 0 HE3 LYS A 39 11.793 0.709 -7.669 1.00 52.14 H new ATOM 0 HZ1 LYS A 39 13.542 1.475 -9.429 1.00 34.32 H new ATOM 0 HZ2 LYS A 39 13.202 2.450 -8.081 1.00 34.32 H new ATOM 0 HZ3 LYS A 39 14.599 1.486 -8.100 1.00 34.32 H new ATOM 644 N VAL A 40 11.249 -0.073 -2.124 1.00 4.34 N ATOM 645 CA VAL A 40 10.005 0.587 -1.693 1.00 53.14 C ATOM 646 C VAL A 40 10.316 1.996 -1.142 1.00 52.40 C ATOM 647 O VAL A 40 9.713 2.980 -1.560 1.00 33.14 O ATOM 648 CB VAL A 40 9.252 -0.235 -0.581 1.00 23.20 C ATOM 649 CG1 VAL A 40 7.919 0.444 -0.201 1.00 40.22 C ATOM 650 CG2 VAL A 40 9.029 -1.703 -1.006 1.00 50.41 C ATOM 0 H VAL A 40 11.411 -0.977 -1.679 1.00 4.34 H new ATOM 0 HA VAL A 40 9.359 0.653 -2.569 1.00 53.14 H new ATOM 0 HB VAL A 40 9.889 -0.249 0.303 1.00 23.20 H new ATOM 0 HG11 VAL A 40 7.418 -0.143 0.569 1.00 40.22 H new ATOM 0 HG12 VAL A 40 8.117 1.447 0.178 1.00 40.22 H new ATOM 0 HG13 VAL A 40 7.280 0.509 -1.081 1.00 40.22 H new ATOM 0 HG21 VAL A 40 8.507 -2.236 -0.212 1.00 50.41 H new ATOM 0 HG22 VAL A 40 8.431 -1.731 -1.917 1.00 50.41 H new ATOM 0 HG23 VAL A 40 9.992 -2.179 -1.190 1.00 50.41 H new ATOM 660 N LYS A 41 11.315 2.050 -0.241 1.00 73.42 N ATOM 661 CA LYS A 41 11.747 3.281 0.461 1.00 51.24 C ATOM 662 C LYS A 41 12.364 4.314 -0.505 1.00 2.35 C ATOM 663 O LYS A 41 12.254 5.528 -0.273 1.00 31.44 O ATOM 664 CB LYS A 41 12.745 2.894 1.581 1.00 22.20 C ATOM 665 CG LYS A 41 12.149 1.934 2.641 1.00 22.22 C ATOM 666 CD LYS A 41 13.223 1.355 3.589 1.00 52.11 C ATOM 667 CE LYS A 41 12.639 0.359 4.605 1.00 2.52 C ATOM 668 NZ LYS A 41 13.696 -0.268 5.444 1.00 45.14 N ATOM 0 H LYS A 41 11.856 1.228 0.026 1.00 73.42 H new ATOM 0 HA LYS A 41 10.871 3.760 0.900 1.00 51.24 H new ATOM 0 HB2 LYS A 41 13.620 2.425 1.130 1.00 22.20 H new ATOM 0 HB3 LYS A 41 13.090 3.801 2.078 1.00 22.20 H new ATOM 0 HG2 LYS A 41 11.401 2.466 3.228 1.00 22.22 H new ATOM 0 HG3 LYS A 41 11.635 1.115 2.137 1.00 22.22 H new ATOM 0 HD2 LYS A 41 13.993 0.858 2.999 1.00 52.11 H new ATOM 0 HD3 LYS A 41 13.709 2.171 4.124 1.00 52.11 H new ATOM 0 HE2 LYS A 41 11.925 0.874 5.247 1.00 2.52 H new ATOM 0 HE3 LYS A 41 12.089 -0.418 4.075 1.00 2.52 H new ATOM 0 HZ1 LYS A 41 13.335 -0.408 6.409 1.00 45.14 H new ATOM 0 HZ2 LYS A 41 13.962 -1.187 5.037 1.00 45.14 H new ATOM 0 HZ3 LYS A 41 14.530 0.353 5.473 1.00 45.14 H new ATOM 682 N GLU A 42 13.001 3.815 -1.587 1.00 60.33 N ATOM 683 CA GLU A 42 13.488 4.660 -2.696 1.00 13.20 C ATOM 684 C GLU A 42 12.309 5.398 -3.343 1.00 4.14 C ATOM 685 O GLU A 42 12.323 6.627 -3.488 1.00 62.33 O ATOM 686 CB GLU A 42 14.218 3.798 -3.774 1.00 35.25 C ATOM 687 CG GLU A 42 15.529 3.142 -3.309 1.00 41.41 C ATOM 688 CD GLU A 42 16.659 4.155 -3.049 1.00 14.01 C ATOM 689 OE1 GLU A 42 17.384 4.510 -4.002 1.00 64.31 O ATOM 690 OE2 GLU A 42 16.826 4.606 -1.901 1.00 73.54 O ATOM 0 H GLU A 42 13.191 2.821 -1.715 1.00 60.33 H new ATOM 0 HA GLU A 42 14.196 5.382 -2.290 1.00 13.20 H new ATOM 0 HB2 GLU A 42 13.539 3.015 -4.112 1.00 35.25 H new ATOM 0 HB3 GLU A 42 14.432 4.429 -4.637 1.00 35.25 H new ATOM 0 HG2 GLU A 42 15.340 2.577 -2.396 1.00 41.41 H new ATOM 0 HG3 GLU A 42 15.857 2.428 -4.064 1.00 41.41 H new ATOM 697 N GLU A 43 11.280 4.613 -3.685 1.00 53.25 N ATOM 698 CA GLU A 43 10.099 5.091 -4.406 1.00 31.30 C ATOM 699 C GLU A 43 9.182 5.965 -3.529 1.00 55.43 C ATOM 700 O GLU A 43 8.462 6.826 -4.061 1.00 63.01 O ATOM 701 CB GLU A 43 9.315 3.886 -4.963 1.00 61.34 C ATOM 702 CG GLU A 43 10.140 2.934 -5.846 1.00 73.55 C ATOM 703 CD GLU A 43 10.806 3.615 -7.051 1.00 63.23 C ATOM 704 OE1 GLU A 43 10.086 4.081 -7.962 1.00 4.30 O ATOM 705 OE2 GLU A 43 12.054 3.676 -7.107 1.00 12.43 O ATOM 0 H GLU A 43 11.246 3.618 -3.465 1.00 53.25 H new ATOM 0 HA GLU A 43 10.446 5.723 -5.224 1.00 31.30 H new ATOM 0 HB2 GLU A 43 8.904 3.320 -4.127 1.00 61.34 H new ATOM 0 HB3 GLU A 43 8.470 4.257 -5.543 1.00 61.34 H new ATOM 0 HG2 GLU A 43 10.912 2.466 -5.235 1.00 73.55 H new ATOM 0 HG3 GLU A 43 9.491 2.136 -6.206 1.00 73.55 H new ATOM 712 N ILE A 44 9.204 5.722 -2.194 1.00 44.34 N ATOM 713 CA ILE A 44 8.473 6.539 -1.206 1.00 44.40 C ATOM 714 C ILE A 44 8.926 8.003 -1.342 1.00 12.51 C ATOM 715 O ILE A 44 8.101 8.887 -1.619 1.00 0.01 O ATOM 716 CB ILE A 44 8.693 6.024 0.286 1.00 61.32 C ATOM 717 CG1 ILE A 44 7.972 4.652 0.523 1.00 75.32 C ATOM 718 CG2 ILE A 44 8.237 7.077 1.334 1.00 22.51 C ATOM 719 CD1 ILE A 44 8.143 4.057 1.916 1.00 4.51 C ATOM 0 H ILE A 44 9.730 4.954 -1.778 1.00 44.34 H new ATOM 0 HA ILE A 44 7.406 6.453 -1.411 1.00 44.40 H new ATOM 0 HB ILE A 44 9.764 5.873 0.419 1.00 61.32 H new ATOM 0 HG12 ILE A 44 6.907 4.782 0.330 1.00 75.32 H new ATOM 0 HG13 ILE A 44 8.343 3.934 -0.209 1.00 75.32 H new ATOM 0 HG21 ILE A 44 8.404 6.687 2.338 1.00 22.51 H new ATOM 0 HG22 ILE A 44 8.810 7.994 1.201 1.00 22.51 H new ATOM 0 HG23 ILE A 44 7.176 7.289 1.199 1.00 22.51 H new ATOM 0 HD11 ILE A 44 7.606 3.110 1.976 1.00 4.51 H new ATOM 0 HD12 ILE A 44 9.202 3.887 2.112 1.00 4.51 H new ATOM 0 HD13 ILE A 44 7.743 4.748 2.658 1.00 4.51 H new ATOM 731 N GLU A 45 10.256 8.214 -1.221 1.00 23.43 N ATOM 732 CA GLU A 45 10.874 9.546 -1.305 1.00 72.33 C ATOM 733 C GLU A 45 10.595 10.206 -2.666 1.00 10.50 C ATOM 734 O GLU A 45 10.176 11.360 -2.717 1.00 3.11 O ATOM 735 CB GLU A 45 12.402 9.471 -1.083 1.00 10.22 C ATOM 736 CG GLU A 45 12.830 8.925 0.286 1.00 73.44 C ATOM 737 CD GLU A 45 14.342 9.052 0.508 1.00 34.44 C ATOM 738 OE1 GLU A 45 15.067 8.045 0.385 1.00 12.53 O ATOM 739 OE2 GLU A 45 14.815 10.176 0.775 1.00 33.43 O ATOM 0 H GLU A 45 10.927 7.462 -1.062 1.00 23.43 H new ATOM 0 HA GLU A 45 10.428 10.151 -0.516 1.00 72.33 H new ATOM 0 HB2 GLU A 45 12.837 8.843 -1.861 1.00 10.22 H new ATOM 0 HB3 GLU A 45 12.822 10.469 -1.207 1.00 10.22 H new ATOM 0 HG2 GLU A 45 12.302 9.464 1.072 1.00 73.44 H new ATOM 0 HG3 GLU A 45 12.539 7.878 0.366 1.00 73.44 H new ATOM 746 N LYS A 46 10.807 9.437 -3.753 1.00 22.02 N ATOM 747 CA LYS A 46 10.663 9.928 -5.139 1.00 71.13 C ATOM 748 C LYS A 46 9.265 10.515 -5.401 1.00 12.42 C ATOM 749 O LYS A 46 9.144 11.712 -5.669 1.00 71.50 O ATOM 750 CB LYS A 46 10.974 8.785 -6.143 1.00 40.24 C ATOM 751 CG LYS A 46 12.466 8.391 -6.213 1.00 51.45 C ATOM 752 CD LYS A 46 12.695 7.069 -6.979 1.00 24.21 C ATOM 753 CE LYS A 46 12.146 7.095 -8.414 1.00 32.13 C ATOM 754 NZ LYS A 46 12.344 5.793 -9.098 1.00 52.31 N ATOM 0 H LYS A 46 11.083 8.457 -3.695 1.00 22.02 H new ATOM 0 HA LYS A 46 11.381 10.736 -5.282 1.00 71.13 H new ATOM 0 HB2 LYS A 46 10.390 7.906 -5.868 1.00 40.24 H new ATOM 0 HB3 LYS A 46 10.643 9.089 -7.136 1.00 40.24 H new ATOM 0 HG2 LYS A 46 13.027 9.190 -6.698 1.00 51.45 H new ATOM 0 HG3 LYS A 46 12.860 8.294 -5.201 1.00 51.45 H new ATOM 0 HD2 LYS A 46 13.763 6.856 -7.010 1.00 24.21 H new ATOM 0 HD3 LYS A 46 12.223 6.253 -6.431 1.00 24.21 H new ATOM 0 HE2 LYS A 46 11.084 7.338 -8.393 1.00 32.13 H new ATOM 0 HE3 LYS A 46 12.642 7.883 -8.980 1.00 32.13 H new ATOM 0 HZ1 LYS A 46 11.509 5.575 -9.678 1.00 52.31 H new ATOM 0 HZ2 LYS A 46 13.185 5.846 -9.708 1.00 52.31 H new ATOM 0 HZ3 LYS A 46 12.478 5.045 -8.388 1.00 52.31 H new ATOM 768 N ALA A 47 8.216 9.677 -5.275 1.00 32.45 N ATOM 769 CA ALA A 47 6.817 10.075 -5.568 1.00 62.14 C ATOM 770 C ALA A 47 6.346 11.223 -4.653 1.00 52.41 C ATOM 771 O ALA A 47 5.697 12.170 -5.116 1.00 44.34 O ATOM 772 CB ALA A 47 5.892 8.867 -5.443 1.00 23.41 C ATOM 0 H ALA A 47 8.310 8.709 -4.969 1.00 32.45 H new ATOM 0 HA ALA A 47 6.780 10.445 -6.593 1.00 62.14 H new ATOM 0 HB1 ALA A 47 4.867 9.169 -5.660 1.00 23.41 H new ATOM 0 HB2 ALA A 47 6.201 8.098 -6.151 1.00 23.41 H new ATOM 0 HB3 ALA A 47 5.946 8.470 -4.429 1.00 23.41 H new ATOM 778 N ARG A 48 6.725 11.122 -3.365 1.00 33.40 N ATOM 779 CA ARG A 48 6.476 12.154 -2.336 1.00 32.32 C ATOM 780 C ARG A 48 6.968 13.539 -2.797 1.00 33.14 C ATOM 781 O ARG A 48 6.202 14.506 -2.839 1.00 51.44 O ATOM 782 CB ARG A 48 7.221 11.744 -1.043 1.00 24.24 C ATOM 783 CG ARG A 48 7.219 12.776 0.104 1.00 2.30 C ATOM 784 CD ARG A 48 8.190 12.377 1.223 1.00 51.34 C ATOM 785 NE ARG A 48 8.100 13.263 2.394 1.00 72.53 N ATOM 786 CZ ARG A 48 8.898 14.305 2.644 1.00 70.44 C ATOM 787 NH1 ARG A 48 9.864 14.633 1.799 1.00 53.43 N ATOM 788 NH2 ARG A 48 8.720 15.015 3.752 1.00 23.44 N ATOM 0 H ARG A 48 7.221 10.308 -3.002 1.00 33.40 H new ATOM 0 HA ARG A 48 5.403 12.225 -2.159 1.00 32.32 H new ATOM 0 HB2 ARG A 48 6.779 10.819 -0.672 1.00 24.24 H new ATOM 0 HB3 ARG A 48 8.256 11.521 -1.301 1.00 24.24 H new ATOM 0 HG2 ARG A 48 7.495 13.756 -0.286 1.00 2.30 H new ATOM 0 HG3 ARG A 48 6.212 12.867 0.511 1.00 2.30 H new ATOM 0 HD2 ARG A 48 7.982 11.352 1.531 1.00 51.34 H new ATOM 0 HD3 ARG A 48 9.209 12.393 0.837 1.00 51.34 H new ATOM 0 HE ARG A 48 7.365 13.065 3.073 1.00 72.53 H new ATOM 0 HH11 ARG A 48 10.004 14.088 0.948 1.00 53.43 H new ATOM 0 HH12 ARG A 48 10.468 15.430 1.999 1.00 53.43 H new ATOM 0 HH21 ARG A 48 7.978 14.763 4.405 1.00 23.44 H new ATOM 0 HH22 ARG A 48 9.325 15.812 3.950 1.00 23.44 H new ATOM 802 N LYS A 49 8.254 13.588 -3.180 1.00 62.21 N ATOM 803 CA LYS A 49 8.970 14.838 -3.508 1.00 32.52 C ATOM 804 C LYS A 49 8.639 15.325 -4.928 1.00 52.11 C ATOM 805 O LYS A 49 8.849 16.498 -5.243 1.00 72.55 O ATOM 806 CB LYS A 49 10.496 14.628 -3.295 1.00 44.03 C ATOM 807 CG LYS A 49 10.858 14.265 -1.825 1.00 63.45 C ATOM 808 CD LYS A 49 12.308 13.752 -1.648 1.00 35.11 C ATOM 809 CE LYS A 49 12.584 13.298 -0.201 1.00 74.15 C ATOM 810 NZ LYS A 49 13.965 12.779 -0.028 1.00 62.02 N ATOM 0 H LYS A 49 8.834 12.754 -3.273 1.00 62.21 H new ATOM 0 HA LYS A 49 8.635 15.628 -2.836 1.00 32.52 H new ATOM 0 HB2 LYS A 49 10.844 13.834 -3.956 1.00 44.03 H new ATOM 0 HB3 LYS A 49 11.026 15.537 -3.581 1.00 44.03 H new ATOM 0 HG2 LYS A 49 10.714 15.144 -1.197 1.00 63.45 H new ATOM 0 HG3 LYS A 49 10.166 13.502 -1.468 1.00 63.45 H new ATOM 0 HD2 LYS A 49 12.485 12.920 -2.330 1.00 35.11 H new ATOM 0 HD3 LYS A 49 13.008 14.541 -1.921 1.00 35.11 H new ATOM 0 HE2 LYS A 49 12.425 14.136 0.477 1.00 74.15 H new ATOM 0 HE3 LYS A 49 11.869 12.523 0.077 1.00 74.15 H new ATOM 0 HZ1 LYS A 49 13.927 11.785 0.276 1.00 62.02 H new ATOM 0 HZ2 LYS A 49 14.476 12.845 -0.931 1.00 62.02 H new ATOM 0 HZ3 LYS A 49 14.460 13.343 0.692 1.00 62.02 H new ATOM 824 N GLN A 50 8.115 14.413 -5.781 1.00 1.42 N ATOM 825 CA GLN A 50 7.522 14.779 -7.092 1.00 12.32 C ATOM 826 C GLN A 50 6.172 15.492 -6.877 1.00 10.32 C ATOM 827 O GLN A 50 5.760 16.299 -7.711 1.00 55.13 O ATOM 828 CB GLN A 50 7.322 13.524 -7.998 1.00 64.34 C ATOM 829 CG GLN A 50 8.624 12.904 -8.547 1.00 53.25 C ATOM 830 CD GLN A 50 8.391 11.635 -9.376 1.00 50.12 C ATOM 831 OE1 GLN A 50 8.218 11.694 -10.594 1.00 1.40 O ATOM 832 NE2 GLN A 50 8.355 10.484 -8.717 1.00 72.10 N ATOM 0 H GLN A 50 8.091 13.413 -5.584 1.00 1.42 H new ATOM 0 HA GLN A 50 8.214 15.452 -7.598 1.00 12.32 H new ATOM 0 HB2 GLN A 50 6.787 12.764 -7.428 1.00 64.34 H new ATOM 0 HB3 GLN A 50 6.685 13.799 -8.839 1.00 64.34 H new ATOM 0 HG2 GLN A 50 9.138 13.642 -9.163 1.00 53.25 H new ATOM 0 HG3 GLN A 50 9.285 12.668 -7.713 1.00 53.25 H new ATOM 0 HE21 GLN A 50 8.502 10.469 -7.708 1.00 72.10 H new ATOM 0 HE22 GLN A 50 8.180 9.614 -9.220 1.00 72.10 H new ATOM 841 N GLY A 51 5.501 15.179 -5.746 1.00 51.23 N ATOM 842 CA GLY A 51 4.227 15.807 -5.373 1.00 65.15 C ATOM 843 C GLY A 51 3.017 14.998 -5.817 1.00 12.15 C ATOM 844 O GLY A 51 1.959 15.564 -6.118 1.00 65.35 O ATOM 0 H GLY A 51 5.831 14.487 -5.073 1.00 51.23 H new ATOM 0 HA2 GLY A 51 4.194 15.937 -4.291 1.00 65.15 H new ATOM 0 HA3 GLY A 51 4.175 16.802 -5.815 1.00 65.15 H new ATOM 848 N ARG A 52 3.175 13.667 -5.831 1.00 43.22 N ATOM 849 CA ARG A 52 2.134 12.712 -6.271 1.00 0.22 C ATOM 850 C ARG A 52 1.978 11.572 -5.236 1.00 33.41 C ATOM 851 O ARG A 52 2.865 11.370 -4.393 1.00 43.14 O ATOM 852 CB ARG A 52 2.480 12.139 -7.685 1.00 4.00 C ATOM 853 CG ARG A 52 3.896 11.533 -7.824 1.00 75.34 C ATOM 854 CD ARG A 52 4.085 10.707 -9.115 1.00 74.33 C ATOM 855 NE ARG A 52 3.499 11.361 -10.310 1.00 13.51 N ATOM 856 CZ ARG A 52 4.174 11.877 -11.347 1.00 12.33 C ATOM 857 NH1 ARG A 52 5.502 11.850 -11.387 1.00 51.03 N ATOM 858 NH2 ARG A 52 3.499 12.390 -12.364 1.00 53.14 N ATOM 0 H ARG A 52 4.038 13.212 -5.534 1.00 43.22 H new ATOM 0 HA ARG A 52 1.183 13.240 -6.343 1.00 0.22 H new ATOM 0 HB2 ARG A 52 1.748 11.372 -7.937 1.00 4.00 H new ATOM 0 HB3 ARG A 52 2.371 12.937 -8.419 1.00 4.00 H new ATOM 0 HG2 ARG A 52 4.631 12.338 -7.805 1.00 75.34 H new ATOM 0 HG3 ARG A 52 4.097 10.897 -6.962 1.00 75.34 H new ATOM 0 HD2 ARG A 52 5.149 10.543 -9.282 1.00 74.33 H new ATOM 0 HD3 ARG A 52 3.628 9.726 -8.983 1.00 74.33 H new ATOM 0 HE ARG A 52 2.482 11.425 -10.347 1.00 13.51 H new ATOM 0 HH11 ARG A 52 6.027 11.431 -10.619 1.00 51.03 H new ATOM 0 HH12 ARG A 52 5.996 12.248 -12.185 1.00 51.03 H new ATOM 0 HH21 ARG A 52 2.479 12.389 -12.351 1.00 53.14 H new ATOM 0 HH22 ARG A 52 3.999 12.786 -13.160 1.00 53.14 H new ATOM 872 N PRO A 53 0.821 10.827 -5.254 1.00 43.25 N ATOM 873 CA PRO A 53 0.651 9.598 -4.448 1.00 34.43 C ATOM 874 C PRO A 53 1.467 8.428 -5.021 1.00 14.41 C ATOM 875 O PRO A 53 2.011 8.518 -6.138 1.00 4.33 O ATOM 876 CB PRO A 53 -0.883 9.305 -4.519 1.00 13.42 C ATOM 877 CG PRO A 53 -1.499 10.517 -5.177 1.00 4.10 C ATOM 878 CD PRO A 53 -0.416 11.125 -6.027 1.00 73.22 C ATOM 0 HA PRO A 53 1.007 9.723 -3.425 1.00 34.43 H new ATOM 0 HB2 PRO A 53 -1.083 8.402 -5.096 1.00 13.42 H new ATOM 0 HB3 PRO A 53 -1.298 9.146 -3.524 1.00 13.42 H new ATOM 0 HG2 PRO A 53 -2.359 10.236 -5.784 1.00 4.10 H new ATOM 0 HG3 PRO A 53 -1.854 11.228 -4.431 1.00 4.10 H new ATOM 0 HD2 PRO A 53 -0.387 10.682 -7.022 1.00 73.22 H new ATOM 0 HD3 PRO A 53 -0.561 12.197 -6.160 1.00 73.22 H new ATOM 886 N ILE A 54 1.536 7.322 -4.266 1.00 42.05 N ATOM 887 CA ILE A 54 2.195 6.104 -4.732 1.00 24.42 C ATOM 888 C ILE A 54 1.544 4.858 -4.125 1.00 72.11 C ATOM 889 O ILE A 54 1.220 4.837 -2.939 1.00 32.20 O ATOM 890 CB ILE A 54 3.741 6.140 -4.448 1.00 32.10 C ATOM 891 CG1 ILE A 54 4.460 4.928 -5.115 1.00 23.32 C ATOM 892 CG2 ILE A 54 4.064 6.231 -2.928 1.00 70.45 C ATOM 893 CD1 ILE A 54 5.960 5.063 -5.195 1.00 20.42 C ATOM 0 H ILE A 54 1.141 7.251 -3.328 1.00 42.05 H new ATOM 0 HA ILE A 54 2.066 6.052 -5.813 1.00 24.42 H new ATOM 0 HB ILE A 54 4.128 7.053 -4.901 1.00 32.10 H new ATOM 0 HG12 ILE A 54 4.218 4.024 -4.556 1.00 23.32 H new ATOM 0 HG13 ILE A 54 4.065 4.795 -6.122 1.00 23.32 H new ATOM 0 HG21 ILE A 54 5.145 6.253 -2.786 1.00 70.45 H new ATOM 0 HG22 ILE A 54 3.626 7.140 -2.517 1.00 70.45 H new ATOM 0 HG23 ILE A 54 3.648 5.364 -2.415 1.00 70.45 H new ATOM 0 HD11 ILE A 54 6.380 4.178 -5.672 1.00 20.42 H new ATOM 0 HD12 ILE A 54 6.215 5.946 -5.781 1.00 20.42 H new ATOM 0 HD13 ILE A 54 6.370 5.163 -4.190 1.00 20.42 H new ATOM 905 N VAL A 55 1.319 3.842 -4.977 1.00 63.15 N ATOM 906 CA VAL A 55 0.800 2.533 -4.587 1.00 1.14 C ATOM 907 C VAL A 55 1.897 1.486 -4.848 1.00 11.21 C ATOM 908 O VAL A 55 2.208 1.166 -6.004 1.00 64.32 O ATOM 909 CB VAL A 55 -0.518 2.168 -5.375 1.00 43.13 C ATOM 910 CG1 VAL A 55 -1.103 0.819 -4.902 1.00 53.33 C ATOM 911 CG2 VAL A 55 -1.578 3.290 -5.257 1.00 1.05 C ATOM 0 H VAL A 55 1.500 3.917 -5.978 1.00 63.15 H new ATOM 0 HA VAL A 55 0.537 2.551 -3.529 1.00 1.14 H new ATOM 0 HB VAL A 55 -0.246 2.069 -6.426 1.00 43.13 H new ATOM 0 HG11 VAL A 55 -2.010 0.598 -5.465 1.00 53.33 H new ATOM 0 HG12 VAL A 55 -0.372 0.028 -5.067 1.00 53.33 H new ATOM 0 HG13 VAL A 55 -1.341 0.878 -3.840 1.00 53.33 H new ATOM 0 HG21 VAL A 55 -2.472 3.005 -5.811 1.00 1.05 H new ATOM 0 HG22 VAL A 55 -1.834 3.440 -4.208 1.00 1.05 H new ATOM 0 HG23 VAL A 55 -1.175 4.216 -5.668 1.00 1.05 H new ATOM 921 N ILE A 56 2.504 0.998 -3.765 1.00 31.43 N ATOM 922 CA ILE A 56 3.544 -0.032 -3.813 1.00 54.03 C ATOM 923 C ILE A 56 2.873 -1.405 -3.659 1.00 51.01 C ATOM 924 O ILE A 56 2.103 -1.607 -2.726 1.00 64.44 O ATOM 925 CB ILE A 56 4.598 0.142 -2.656 1.00 5.15 C ATOM 926 CG1 ILE A 56 5.252 1.564 -2.664 1.00 53.43 C ATOM 927 CG2 ILE A 56 5.688 -0.960 -2.746 1.00 34.24 C ATOM 928 CD1 ILE A 56 6.255 1.811 -3.782 1.00 65.43 C ATOM 0 H ILE A 56 2.285 1.310 -2.819 1.00 31.43 H new ATOM 0 HA ILE A 56 4.068 0.056 -4.765 1.00 54.03 H new ATOM 0 HB ILE A 56 4.064 0.038 -1.711 1.00 5.15 H new ATOM 0 HG12 ILE A 56 4.460 2.310 -2.737 1.00 53.43 H new ATOM 0 HG13 ILE A 56 5.752 1.722 -1.708 1.00 53.43 H new ATOM 0 HG21 ILE A 56 6.409 -0.826 -1.939 1.00 34.24 H new ATOM 0 HG22 ILE A 56 5.222 -1.941 -2.656 1.00 34.24 H new ATOM 0 HG23 ILE A 56 6.200 -0.888 -3.706 1.00 34.24 H new ATOM 0 HD11 ILE A 56 6.650 2.823 -3.699 1.00 65.43 H new ATOM 0 HD12 ILE A 56 7.073 1.095 -3.702 1.00 65.43 H new ATOM 0 HD13 ILE A 56 5.761 1.692 -4.747 1.00 65.43 H new ATOM 940 N PHE A 57 3.169 -2.324 -4.576 1.00 30.32 N ATOM 941 CA PHE A 57 2.723 -3.717 -4.496 1.00 33.41 C ATOM 942 C PHE A 57 3.932 -4.577 -4.101 1.00 61.13 C ATOM 943 O PHE A 57 4.811 -4.812 -4.929 1.00 73.03 O ATOM 944 CB PHE A 57 2.163 -4.163 -5.871 1.00 62.45 C ATOM 945 CG PHE A 57 1.091 -3.242 -6.440 1.00 34.23 C ATOM 946 CD1 PHE A 57 -0.218 -3.295 -5.972 1.00 40.22 C ATOM 947 CD2 PHE A 57 1.400 -2.305 -7.435 1.00 60.42 C ATOM 948 CE1 PHE A 57 -1.185 -2.459 -6.481 1.00 5.45 C ATOM 949 CE2 PHE A 57 0.427 -1.471 -7.943 1.00 15.45 C ATOM 950 CZ PHE A 57 -0.862 -1.542 -7.464 1.00 13.34 C ATOM 0 H PHE A 57 3.730 -2.123 -5.404 1.00 30.32 H new ATOM 0 HA PHE A 57 1.932 -3.829 -3.755 1.00 33.41 H new ATOM 0 HB2 PHE A 57 2.986 -4.226 -6.582 1.00 62.45 H new ATOM 0 HB3 PHE A 57 1.749 -5.167 -5.773 1.00 62.45 H new ATOM 0 HD1 PHE A 57 -0.479 -4.002 -5.198 1.00 40.22 H new ATOM 0 HD2 PHE A 57 2.411 -2.235 -7.808 1.00 60.42 H new ATOM 0 HE1 PHE A 57 -2.198 -2.519 -6.112 1.00 5.45 H new ATOM 0 HE2 PHE A 57 0.676 -0.761 -8.718 1.00 15.45 H new ATOM 0 HZ PHE A 57 -1.621 -0.881 -7.856 1.00 13.34 H new ATOM 960 N ILE A 58 3.992 -5.007 -2.835 1.00 41.02 N ATOM 961 CA ILE A 58 5.106 -5.823 -2.330 1.00 62.41 C ATOM 962 C ILE A 58 4.689 -7.302 -2.343 1.00 50.13 C ATOM 963 O ILE A 58 3.631 -7.657 -1.794 1.00 72.55 O ATOM 964 CB ILE A 58 5.579 -5.418 -0.875 1.00 35.12 C ATOM 965 CG1 ILE A 58 5.514 -3.871 -0.660 1.00 30.51 C ATOM 966 CG2 ILE A 58 7.027 -5.939 -0.628 1.00 50.21 C ATOM 967 CD1 ILE A 58 5.830 -3.398 0.753 1.00 10.52 C ATOM 0 H ILE A 58 3.278 -4.802 -2.136 1.00 41.02 H new ATOM 0 HA ILE A 58 5.955 -5.647 -2.990 1.00 62.41 H new ATOM 0 HB ILE A 58 4.901 -5.878 -0.157 1.00 35.12 H new ATOM 0 HG12 ILE A 58 6.211 -3.395 -1.350 1.00 30.51 H new ATOM 0 HG13 ILE A 58 4.515 -3.525 -0.927 1.00 30.51 H new ATOM 0 HG21 ILE A 58 7.349 -5.658 0.375 1.00 50.21 H new ATOM 0 HG22 ILE A 58 7.044 -7.025 -0.724 1.00 50.21 H new ATOM 0 HG23 ILE A 58 7.702 -5.499 -1.362 1.00 50.21 H new ATOM 0 HD11 ILE A 58 5.758 -2.311 0.798 1.00 10.52 H new ATOM 0 HD12 ILE A 58 5.118 -3.838 1.452 1.00 10.52 H new ATOM 0 HD13 ILE A 58 6.840 -3.706 1.022 1.00 10.52 H new ATOM 979 N ARG A 59 5.529 -8.149 -2.962 1.00 45.53 N ATOM 980 CA ARG A 59 5.301 -9.595 -3.035 1.00 11.12 C ATOM 981 C ARG A 59 5.482 -10.235 -1.640 1.00 43.42 C ATOM 982 O ARG A 59 6.604 -10.321 -1.141 1.00 41.13 O ATOM 983 CB ARG A 59 6.284 -10.225 -4.060 1.00 63.53 C ATOM 984 CG ARG A 59 6.193 -11.760 -4.183 1.00 44.20 C ATOM 985 CD ARG A 59 7.229 -12.345 -5.156 1.00 15.23 C ATOM 986 NE ARG A 59 8.611 -12.149 -4.699 1.00 44.14 N ATOM 987 CZ ARG A 59 9.700 -12.738 -5.229 1.00 24.01 C ATOM 988 NH1 ARG A 59 9.598 -13.577 -6.251 1.00 3.33 N ATOM 989 NH2 ARG A 59 10.897 -12.485 -4.723 1.00 41.12 N ATOM 0 H ARG A 59 6.386 -7.846 -3.425 1.00 45.53 H new ATOM 0 HA ARG A 59 4.279 -9.783 -3.365 1.00 11.12 H new ATOM 0 HB2 ARG A 59 6.098 -9.784 -5.039 1.00 63.53 H new ATOM 0 HB3 ARG A 59 7.302 -9.957 -3.778 1.00 63.53 H new ATOM 0 HG2 ARG A 59 6.333 -12.207 -3.199 1.00 44.20 H new ATOM 0 HG3 ARG A 59 5.192 -12.034 -4.518 1.00 44.20 H new ATOM 0 HD2 ARG A 59 7.041 -13.411 -5.283 1.00 15.23 H new ATOM 0 HD3 ARG A 59 7.105 -11.881 -6.134 1.00 15.23 H new ATOM 0 HE ARG A 59 8.758 -11.514 -3.915 1.00 44.14 H new ATOM 0 HH11 ARG A 59 8.683 -13.786 -6.650 1.00 3.33 H new ATOM 0 HH12 ARG A 59 10.435 -14.013 -6.638 1.00 3.33 H new ATOM 0 HH21 ARG A 59 10.992 -11.846 -3.934 1.00 41.12 H new ATOM 0 HH22 ARG A 59 11.724 -12.930 -5.122 1.00 41.12 H new ATOM 1003 N GLY A 60 4.346 -10.625 -1.022 1.00 32.34 N ATOM 1004 CA GLY A 60 4.319 -11.422 0.215 1.00 25.53 C ATOM 1005 C GLY A 60 5.176 -10.898 1.369 1.00 54.42 C ATOM 1006 O GLY A 60 5.870 -11.682 2.030 1.00 71.44 O ATOM 0 H GLY A 60 3.417 -10.392 -1.373 1.00 32.34 H new ATOM 0 HA2 GLY A 60 3.286 -11.490 0.557 1.00 25.53 H new ATOM 0 HA3 GLY A 60 4.644 -12.435 -0.022 1.00 25.53 H new ATOM 1010 N ALA A 61 5.132 -9.578 1.599 1.00 54.23 N ATOM 1011 CA ALA A 61 5.911 -8.930 2.667 1.00 32.01 C ATOM 1012 C ALA A 61 5.339 -9.288 4.047 1.00 13.23 C ATOM 1013 O ALA A 61 4.186 -8.972 4.349 1.00 63.33 O ATOM 1014 CB ALA A 61 5.930 -7.413 2.457 1.00 3.14 C ATOM 0 H ALA A 61 4.560 -8.932 1.055 1.00 54.23 H new ATOM 0 HA ALA A 61 6.937 -9.296 2.626 1.00 32.01 H new ATOM 0 HB1 ALA A 61 6.509 -6.943 3.252 1.00 3.14 H new ATOM 0 HB2 ALA A 61 6.385 -7.185 1.493 1.00 3.14 H new ATOM 0 HB3 ALA A 61 4.910 -7.030 2.476 1.00 3.14 H new ATOM 1020 N THR A 62 6.150 -9.967 4.868 1.00 61.42 N ATOM 1021 CA THR A 62 5.794 -10.299 6.256 1.00 14.31 C ATOM 1022 C THR A 62 6.031 -9.063 7.169 1.00 21.42 C ATOM 1023 O THR A 62 6.549 -8.034 6.698 1.00 43.14 O ATOM 1024 CB THR A 62 6.598 -11.555 6.733 1.00 20.23 C ATOM 1025 OG1 THR A 62 6.163 -11.964 8.037 1.00 30.53 O ATOM 1026 CG2 THR A 62 8.116 -11.312 6.749 1.00 62.44 C ATOM 0 H THR A 62 7.072 -10.302 4.590 1.00 61.42 H new ATOM 0 HA THR A 62 4.736 -10.554 6.316 1.00 14.31 H new ATOM 0 HB THR A 62 6.398 -12.347 6.011 1.00 20.23 H new ATOM 0 HG1 THR A 62 5.407 -12.582 7.951 1.00 30.53 H new ATOM 0 HG21 THR A 62 8.625 -12.214 7.087 1.00 62.44 H new ATOM 0 HG22 THR A 62 8.455 -11.059 5.744 1.00 62.44 H new ATOM 0 HG23 THR A 62 8.346 -10.490 7.427 1.00 62.44 H new ATOM 1034 N GLU A 63 5.658 -9.185 8.468 1.00 22.25 N ATOM 1035 CA GLU A 63 5.605 -8.062 9.432 1.00 1.41 C ATOM 1036 C GLU A 63 6.895 -7.218 9.448 1.00 0.41 C ATOM 1037 O GLU A 63 6.834 -6.012 9.234 1.00 64.42 O ATOM 1038 CB GLU A 63 5.322 -8.575 10.867 1.00 44.11 C ATOM 1039 CG GLU A 63 5.108 -7.440 11.902 1.00 4.42 C ATOM 1040 CD GLU A 63 5.402 -7.875 13.340 1.00 71.24 C ATOM 1041 OE1 GLU A 63 4.487 -8.351 14.034 1.00 2.22 O ATOM 1042 OE2 GLU A 63 6.564 -7.745 13.775 1.00 14.34 O ATOM 0 H GLU A 63 5.383 -10.078 8.878 1.00 22.25 H new ATOM 0 HA GLU A 63 4.790 -7.422 9.095 1.00 1.41 H new ATOM 0 HB2 GLU A 63 4.436 -9.210 10.849 1.00 44.11 H new ATOM 0 HB3 GLU A 63 6.155 -9.199 11.192 1.00 44.11 H new ATOM 0 HG2 GLU A 63 5.749 -6.597 11.645 1.00 4.42 H new ATOM 0 HG3 GLU A 63 4.078 -7.088 11.839 1.00 4.42 H new ATOM 1049 N GLU A 64 8.045 -7.890 9.669 1.00 71.00 N ATOM 1050 CA GLU A 64 9.385 -7.246 9.801 1.00 10.53 C ATOM 1051 C GLU A 64 9.718 -6.282 8.636 1.00 51.21 C ATOM 1052 O GLU A 64 10.441 -5.289 8.824 1.00 71.10 O ATOM 1053 CB GLU A 64 10.479 -8.341 9.917 1.00 72.24 C ATOM 1054 CG GLU A 64 10.457 -9.385 8.776 1.00 62.41 C ATOM 1055 CD GLU A 64 11.520 -10.484 8.910 1.00 15.33 C ATOM 1056 OE1 GLU A 64 12.487 -10.505 8.120 1.00 2.10 O ATOM 1057 OE2 GLU A 64 11.395 -11.335 9.814 1.00 10.34 O ATOM 0 H GLU A 64 8.078 -8.905 9.763 1.00 71.00 H new ATOM 0 HA GLU A 64 9.359 -6.639 10.706 1.00 10.53 H new ATOM 0 HB2 GLU A 64 11.457 -7.860 9.935 1.00 72.24 H new ATOM 0 HB3 GLU A 64 10.360 -8.858 10.869 1.00 72.24 H new ATOM 0 HG2 GLU A 64 9.472 -9.850 8.743 1.00 62.41 H new ATOM 0 HG3 GLU A 64 10.599 -8.871 7.825 1.00 62.41 H new ATOM 1064 N VAL A 65 9.180 -6.590 7.447 1.00 3.11 N ATOM 1065 CA VAL A 65 9.344 -5.761 6.249 1.00 24.10 C ATOM 1066 C VAL A 65 8.345 -4.581 6.290 1.00 32.44 C ATOM 1067 O VAL A 65 8.758 -3.408 6.290 1.00 14.42 O ATOM 1068 CB VAL A 65 9.128 -6.623 4.944 1.00 62.42 C ATOM 1069 CG1 VAL A 65 9.322 -5.795 3.651 1.00 14.22 C ATOM 1070 CG2 VAL A 65 10.040 -7.875 4.945 1.00 74.52 C ATOM 0 H VAL A 65 8.617 -7.426 7.291 1.00 3.11 H new ATOM 0 HA VAL A 65 10.359 -5.365 6.230 1.00 24.10 H new ATOM 0 HB VAL A 65 8.090 -6.956 4.954 1.00 62.42 H new ATOM 0 HG11 VAL A 65 9.162 -6.434 2.782 1.00 14.22 H new ATOM 0 HG12 VAL A 65 8.605 -4.974 3.634 1.00 14.22 H new ATOM 0 HG13 VAL A 65 10.335 -5.393 3.625 1.00 14.22 H new ATOM 0 HG21 VAL A 65 9.870 -8.450 4.035 1.00 74.52 H new ATOM 0 HG22 VAL A 65 11.084 -7.565 4.988 1.00 74.52 H new ATOM 0 HG23 VAL A 65 9.809 -8.493 5.813 1.00 74.52 H new ATOM 1080 N VAL A 66 7.036 -4.912 6.392 1.00 5.31 N ATOM 1081 CA VAL A 66 5.939 -3.931 6.252 1.00 12.52 C ATOM 1082 C VAL A 66 6.015 -2.835 7.333 1.00 51.11 C ATOM 1083 O VAL A 66 6.043 -1.652 7.004 1.00 21.23 O ATOM 1084 CB VAL A 66 4.518 -4.609 6.312 1.00 21.34 C ATOM 1085 CG1 VAL A 66 3.377 -3.594 6.017 1.00 73.02 C ATOM 1086 CG2 VAL A 66 4.434 -5.819 5.365 1.00 41.12 C ATOM 0 H VAL A 66 6.714 -5.863 6.573 1.00 5.31 H new ATOM 0 HA VAL A 66 6.069 -3.480 5.268 1.00 12.52 H new ATOM 0 HB VAL A 66 4.380 -4.968 7.332 1.00 21.34 H new ATOM 0 HG11 VAL A 66 2.415 -4.103 6.069 1.00 73.02 H new ATOM 0 HG12 VAL A 66 3.403 -2.792 6.755 1.00 73.02 H new ATOM 0 HG13 VAL A 66 3.512 -3.174 5.020 1.00 73.02 H new ATOM 0 HG21 VAL A 66 3.441 -6.264 5.430 1.00 41.12 H new ATOM 0 HG22 VAL A 66 4.619 -5.493 4.341 1.00 41.12 H new ATOM 0 HG23 VAL A 66 5.182 -6.558 5.652 1.00 41.12 H new ATOM 1096 N ARG A 67 6.092 -3.261 8.618 1.00 0.44 N ATOM 1097 CA ARG A 67 6.108 -2.349 9.795 1.00 15.41 C ATOM 1098 C ARG A 67 7.233 -1.293 9.691 1.00 35.32 C ATOM 1099 O ARG A 67 7.048 -0.136 10.084 1.00 31.23 O ATOM 1100 CB ARG A 67 6.258 -3.151 11.129 1.00 40.31 C ATOM 1101 CG ARG A 67 7.644 -3.821 11.345 1.00 54.02 C ATOM 1102 CD ARG A 67 7.755 -4.599 12.668 1.00 74.50 C ATOM 1103 NE ARG A 67 7.643 -3.724 13.852 1.00 14.43 N ATOM 1104 CZ ARG A 67 7.426 -4.147 15.118 1.00 75.15 C ATOM 1105 NH1 ARG A 67 7.284 -5.444 15.387 1.00 54.45 N ATOM 1106 NH2 ARG A 67 7.356 -3.259 16.099 1.00 23.52 N ATOM 0 H ARG A 67 6.145 -4.248 8.871 1.00 0.44 H new ATOM 0 HA ARG A 67 5.151 -1.828 9.800 1.00 15.41 H new ATOM 0 HB2 ARG A 67 6.064 -2.477 11.963 1.00 40.31 H new ATOM 0 HB3 ARG A 67 5.490 -3.924 11.158 1.00 40.31 H new ATOM 0 HG2 ARG A 67 7.842 -4.501 10.516 1.00 54.02 H new ATOM 0 HG3 ARG A 67 8.417 -3.053 11.319 1.00 54.02 H new ATOM 0 HD2 ARG A 67 6.973 -5.357 12.706 1.00 74.50 H new ATOM 0 HD3 ARG A 67 8.710 -5.124 12.698 1.00 74.50 H new ATOM 0 HE ARG A 67 7.737 -2.719 13.703 1.00 14.43 H new ATOM 0 HH11 ARG A 67 7.339 -6.130 14.634 1.00 54.45 H new ATOM 0 HH12 ARG A 67 7.121 -5.751 16.346 1.00 54.45 H new ATOM 0 HH21 ARG A 67 7.465 -2.265 15.896 1.00 23.52 H new ATOM 0 HH22 ARG A 67 7.193 -3.569 17.057 1.00 23.52 H new ATOM 1120 N ASP A 68 8.375 -1.722 9.120 1.00 22.42 N ATOM 1121 CA ASP A 68 9.606 -0.922 9.033 1.00 73.02 C ATOM 1122 C ASP A 68 9.502 0.103 7.883 1.00 75.12 C ATOM 1123 O ASP A 68 10.008 1.227 7.979 1.00 71.33 O ATOM 1124 CB ASP A 68 10.811 -1.877 8.834 1.00 2.24 C ATOM 1125 CG ASP A 68 12.172 -1.190 9.037 1.00 60.11 C ATOM 1126 OD1 ASP A 68 12.715 -0.617 8.071 1.00 34.44 O ATOM 1127 OD2 ASP A 68 12.703 -1.217 10.172 1.00 54.21 O ATOM 0 H ASP A 68 8.467 -2.647 8.701 1.00 22.42 H new ATOM 0 HA ASP A 68 9.750 -0.360 9.956 1.00 73.02 H new ATOM 0 HB2 ASP A 68 10.725 -2.710 9.532 1.00 2.24 H new ATOM 0 HB3 ASP A 68 10.770 -2.297 7.829 1.00 2.24 H new ATOM 1132 N ILE A 69 8.833 -0.316 6.802 1.00 14.12 N ATOM 1133 CA ILE A 69 8.544 0.543 5.641 1.00 75.41 C ATOM 1134 C ILE A 69 7.460 1.604 5.986 1.00 72.44 C ATOM 1135 O ILE A 69 7.554 2.766 5.562 1.00 40.34 O ATOM 1136 CB ILE A 69 8.092 -0.337 4.416 1.00 40.41 C ATOM 1137 CG1 ILE A 69 9.254 -1.283 3.952 1.00 52.11 C ATOM 1138 CG2 ILE A 69 7.587 0.535 3.251 1.00 34.42 C ATOM 1139 CD1 ILE A 69 8.882 -2.237 2.830 1.00 31.54 C ATOM 0 H ILE A 69 8.474 -1.266 6.705 1.00 14.12 H new ATOM 0 HA ILE A 69 9.456 1.076 5.372 1.00 75.41 H new ATOM 0 HB ILE A 69 7.258 -0.959 4.743 1.00 40.41 H new ATOM 0 HG12 ILE A 69 10.095 -0.671 3.627 1.00 52.11 H new ATOM 0 HG13 ILE A 69 9.595 -1.865 4.808 1.00 52.11 H new ATOM 0 HG21 ILE A 69 7.283 -0.105 2.423 1.00 34.42 H new ATOM 0 HG22 ILE A 69 6.735 1.128 3.583 1.00 34.42 H new ATOM 0 HG23 ILE A 69 8.385 1.200 2.922 1.00 34.42 H new ATOM 0 HD11 ILE A 69 9.745 -2.852 2.574 1.00 31.54 H new ATOM 0 HD12 ILE A 69 8.063 -2.879 3.155 1.00 31.54 H new ATOM 0 HD13 ILE A 69 8.571 -1.666 1.955 1.00 31.54 H new ATOM 1151 N VAL A 70 6.445 1.184 6.770 1.00 22.31 N ATOM 1152 CA VAL A 70 5.318 2.045 7.177 1.00 64.44 C ATOM 1153 C VAL A 70 5.821 3.194 8.071 1.00 40.04 C ATOM 1154 O VAL A 70 5.540 4.365 7.791 1.00 53.43 O ATOM 1155 CB VAL A 70 4.195 1.206 7.906 1.00 34.25 C ATOM 1156 CG1 VAL A 70 3.123 2.104 8.574 1.00 31.21 C ATOM 1157 CG2 VAL A 70 3.530 0.214 6.920 1.00 1.50 C ATOM 0 H VAL A 70 6.385 0.235 7.139 1.00 22.31 H new ATOM 0 HA VAL A 70 4.874 2.477 6.280 1.00 64.44 H new ATOM 0 HB VAL A 70 4.685 0.645 8.702 1.00 34.25 H new ATOM 0 HG11 VAL A 70 2.375 1.478 9.060 1.00 31.21 H new ATOM 0 HG12 VAL A 70 3.597 2.746 9.316 1.00 31.21 H new ATOM 0 HG13 VAL A 70 2.641 2.721 7.816 1.00 31.21 H new ATOM 0 HG21 VAL A 70 2.759 -0.355 7.440 1.00 1.50 H new ATOM 0 HG22 VAL A 70 3.079 0.767 6.096 1.00 1.50 H new ATOM 0 HG23 VAL A 70 4.283 -0.470 6.528 1.00 1.50 H new ATOM 1167 N GLU A 71 6.611 2.850 9.112 1.00 64.45 N ATOM 1168 CA GLU A 71 7.174 3.853 10.045 1.00 14.34 C ATOM 1169 C GLU A 71 8.154 4.799 9.324 1.00 55.23 C ATOM 1170 O GLU A 71 8.301 5.955 9.727 1.00 54.52 O ATOM 1171 CB GLU A 71 7.817 3.166 11.288 1.00 53.22 C ATOM 1172 CG GLU A 71 8.993 2.186 11.009 1.00 21.42 C ATOM 1173 CD GLU A 71 10.398 2.821 11.081 1.00 21.44 C ATOM 1174 OE1 GLU A 71 10.947 2.936 12.197 1.00 14.11 O ATOM 1175 OE2 GLU A 71 10.976 3.189 10.034 1.00 50.32 O ATOM 0 H GLU A 71 6.873 1.888 9.328 1.00 64.45 H new ATOM 0 HA GLU A 71 6.355 4.471 10.413 1.00 14.34 H new ATOM 0 HB2 GLU A 71 8.175 3.945 11.961 1.00 53.22 H new ATOM 0 HB3 GLU A 71 7.036 2.620 11.818 1.00 53.22 H new ATOM 0 HG2 GLU A 71 8.943 1.367 11.727 1.00 21.42 H new ATOM 0 HG3 GLU A 71 8.857 1.751 10.019 1.00 21.42 H new ATOM 1182 N TYR A 72 8.785 4.303 8.240 1.00 11.34 N ATOM 1183 CA TYR A 72 9.661 5.112 7.377 1.00 45.43 C ATOM 1184 C TYR A 72 8.851 6.177 6.615 1.00 11.25 C ATOM 1185 O TYR A 72 9.261 7.337 6.532 1.00 32.04 O ATOM 1186 CB TYR A 72 10.433 4.220 6.373 1.00 13.21 C ATOM 1187 CG TYR A 72 11.375 5.029 5.474 1.00 3.35 C ATOM 1188 CD1 TYR A 72 12.575 5.534 5.978 1.00 13.22 C ATOM 1189 CD2 TYR A 72 11.041 5.337 4.147 1.00 53.23 C ATOM 1190 CE1 TYR A 72 13.399 6.312 5.201 1.00 62.21 C ATOM 1191 CE2 TYR A 72 11.871 6.111 3.364 1.00 10.42 C ATOM 1192 CZ TYR A 72 13.051 6.595 3.899 1.00 65.53 C ATOM 1193 OH TYR A 72 13.881 7.376 3.140 1.00 3.12 O ATOM 0 H TYR A 72 8.700 3.331 7.941 1.00 11.34 H new ATOM 0 HA TYR A 72 10.382 5.614 8.022 1.00 45.43 H new ATOM 0 HB2 TYR A 72 11.010 3.476 6.922 1.00 13.21 H new ATOM 0 HB3 TYR A 72 9.721 3.677 5.752 1.00 13.21 H new ATOM 0 HD1 TYR A 72 12.860 5.310 6.995 1.00 13.22 H new ATOM 0 HD2 TYR A 72 10.118 4.961 3.731 1.00 53.23 H new ATOM 0 HE1 TYR A 72 14.319 6.701 5.611 1.00 62.21 H new ATOM 0 HE2 TYR A 72 11.602 6.337 2.343 1.00 10.42 H new ATOM 0 HH TYR A 72 14.052 6.934 2.282 1.00 3.12 H new ATOM 1203 N ALA A 73 7.709 5.759 6.052 1.00 34.42 N ATOM 1204 CA ALA A 73 6.798 6.660 5.319 1.00 71.03 C ATOM 1205 C ALA A 73 6.177 7.712 6.268 1.00 61.40 C ATOM 1206 O ALA A 73 5.787 8.804 5.836 1.00 20.14 O ATOM 1207 CB ALA A 73 5.722 5.835 4.607 1.00 50.11 C ATOM 0 H ALA A 73 7.388 4.791 6.089 1.00 34.42 H new ATOM 0 HA ALA A 73 7.366 7.207 4.567 1.00 71.03 H new ATOM 0 HB1 ALA A 73 5.050 6.502 4.066 1.00 50.11 H new ATOM 0 HB2 ALA A 73 6.195 5.149 3.904 1.00 50.11 H new ATOM 0 HB3 ALA A 73 5.154 5.266 5.343 1.00 50.11 H new ATOM 1213 N GLN A 74 6.100 7.361 7.567 1.00 62.00 N ATOM 1214 CA GLN A 74 5.659 8.273 8.642 1.00 41.32 C ATOM 1215 C GLN A 74 6.802 9.202 9.105 1.00 53.11 C ATOM 1216 O GLN A 74 6.544 10.285 9.642 1.00 52.54 O ATOM 1217 CB GLN A 74 5.119 7.452 9.830 1.00 41.01 C ATOM 1218 CG GLN A 74 3.931 6.548 9.463 1.00 51.21 C ATOM 1219 CD GLN A 74 3.356 5.818 10.661 1.00 62.52 C ATOM 1220 OE1 GLN A 74 3.768 4.707 10.997 1.00 34.11 O ATOM 1221 NE2 GLN A 74 2.408 6.447 11.314 1.00 15.23 N ATOM 0 H GLN A 74 6.344 6.429 7.903 1.00 62.00 H new ATOM 0 HA GLN A 74 4.864 8.906 8.247 1.00 41.32 H new ATOM 0 HB2 GLN A 74 5.924 6.836 10.231 1.00 41.01 H new ATOM 0 HB3 GLN A 74 4.814 8.134 10.624 1.00 41.01 H new ATOM 0 HG2 GLN A 74 3.150 7.152 9.002 1.00 51.21 H new ATOM 0 HG3 GLN A 74 4.251 5.819 8.719 1.00 51.21 H new ATOM 0 HE21 GLN A 74 2.097 7.366 11.001 1.00 15.23 H new ATOM 0 HE22 GLN A 74 1.982 6.017 12.135 1.00 15.23 H new ATOM 1230 N LYS A 75 8.063 8.763 8.903 1.00 14.35 N ATOM 1231 CA LYS A 75 9.263 9.616 9.089 1.00 63.42 C ATOM 1232 C LYS A 75 9.338 10.659 7.959 1.00 23.35 C ATOM 1233 O LYS A 75 9.847 11.765 8.155 1.00 2.14 O ATOM 1234 CB LYS A 75 10.557 8.748 9.135 1.00 11.31 C ATOM 1235 CG LYS A 75 10.711 7.910 10.425 1.00 72.21 C ATOM 1236 CD LYS A 75 11.851 6.866 10.344 1.00 44.11 C ATOM 1237 CE LYS A 75 12.043 6.119 11.676 1.00 34.50 C ATOM 1238 NZ LYS A 75 12.993 4.979 11.554 1.00 34.32 N ATOM 0 H LYS A 75 8.280 7.811 8.607 1.00 14.35 H new ATOM 0 HA LYS A 75 9.182 10.138 10.043 1.00 63.42 H new ATOM 0 HB2 LYS A 75 10.562 8.077 8.276 1.00 11.31 H new ATOM 0 HB3 LYS A 75 11.423 9.401 9.034 1.00 11.31 H new ATOM 0 HG2 LYS A 75 10.899 8.579 11.264 1.00 72.21 H new ATOM 0 HG3 LYS A 75 9.772 7.397 10.631 1.00 72.21 H new ATOM 0 HD2 LYS A 75 11.630 6.148 9.554 1.00 44.11 H new ATOM 0 HD3 LYS A 75 12.781 7.365 10.070 1.00 44.11 H new ATOM 0 HE2 LYS A 75 12.410 6.815 12.431 1.00 34.50 H new ATOM 0 HE3 LYS A 75 11.079 5.749 12.025 1.00 34.50 H new ATOM 0 HZ1 LYS A 75 12.507 4.094 11.804 1.00 34.32 H new ATOM 0 HZ2 LYS A 75 13.340 4.919 10.575 1.00 34.32 H new ATOM 0 HZ3 LYS A 75 13.797 5.126 12.197 1.00 34.32 H new ATOM 1252 N GLU A 76 8.803 10.281 6.780 1.00 15.32 N ATOM 1253 CA GLU A 76 8.586 11.200 5.643 1.00 52.52 C ATOM 1254 C GLU A 76 7.355 12.119 5.894 1.00 4.13 C ATOM 1255 O GLU A 76 7.080 13.033 5.107 1.00 0.22 O ATOM 1256 CB GLU A 76 8.403 10.375 4.337 1.00 34.13 C ATOM 1257 CG GLU A 76 9.614 9.508 3.920 1.00 43.02 C ATOM 1258 CD GLU A 76 10.904 10.316 3.651 1.00 63.41 C ATOM 1259 OE1 GLU A 76 10.981 10.998 2.601 1.00 72.21 O ATOM 1260 OE2 GLU A 76 11.844 10.267 4.479 1.00 71.12 O ATOM 0 H GLU A 76 8.507 9.324 6.589 1.00 15.32 H new ATOM 0 HA GLU A 76 9.459 11.844 5.539 1.00 52.52 H new ATOM 0 HB2 GLU A 76 7.537 9.724 4.458 1.00 34.13 H new ATOM 0 HB3 GLU A 76 8.174 11.063 3.523 1.00 34.13 H new ATOM 0 HG2 GLU A 76 9.812 8.778 4.705 1.00 43.02 H new ATOM 0 HG3 GLU A 76 9.354 8.948 3.022 1.00 43.02 H new ATOM 1267 N GLY A 77 6.625 11.844 6.994 1.00 61.54 N ATOM 1268 CA GLY A 77 5.512 12.673 7.461 1.00 31.55 C ATOM 1269 C GLY A 77 4.242 12.497 6.646 1.00 12.31 C ATOM 1270 O GLY A 77 3.457 13.443 6.492 1.00 10.25 O ATOM 0 H GLY A 77 6.799 11.030 7.584 1.00 61.54 H new ATOM 0 HA2 GLY A 77 5.302 12.432 8.503 1.00 31.55 H new ATOM 0 HA3 GLY A 77 5.812 13.721 7.430 1.00 31.55 H new ATOM 1274 N LEU A 78 4.031 11.274 6.122 1.00 62.41 N ATOM 1275 CA LEU A 78 2.907 10.968 5.215 1.00 21.45 C ATOM 1276 C LEU A 78 1.930 9.976 5.859 1.00 45.40 C ATOM 1277 O LEU A 78 2.300 9.206 6.758 1.00 25.21 O ATOM 1278 CB LEU A 78 3.445 10.364 3.884 1.00 63.30 C ATOM 1279 CG LEU A 78 4.564 11.172 3.154 1.00 4.31 C ATOM 1280 CD1 LEU A 78 4.987 10.471 1.853 1.00 45.44 C ATOM 1281 CD2 LEU A 78 4.141 12.635 2.888 1.00 14.21 C ATOM 0 H LEU A 78 4.632 10.473 6.314 1.00 62.41 H new ATOM 0 HA LEU A 78 2.378 11.899 5.013 1.00 21.45 H new ATOM 0 HB2 LEU A 78 3.827 9.365 4.093 1.00 63.30 H new ATOM 0 HB3 LEU A 78 2.606 10.248 3.198 1.00 63.30 H new ATOM 0 HG LEU A 78 5.427 11.205 3.819 1.00 4.31 H new ATOM 0 HD11 LEU A 78 5.767 11.053 1.363 1.00 45.44 H new ATOM 0 HD12 LEU A 78 5.367 9.476 2.083 1.00 45.44 H new ATOM 0 HD13 LEU A 78 4.127 10.386 1.189 1.00 45.44 H new ATOM 0 HD21 LEU A 78 4.949 13.160 2.379 1.00 14.21 H new ATOM 0 HD22 LEU A 78 3.249 12.648 2.262 1.00 14.21 H new ATOM 0 HD23 LEU A 78 3.927 13.130 3.835 1.00 14.21 H new ATOM 1293 N ARG A 79 0.680 10.019 5.372 1.00 1.34 N ATOM 1294 CA ARG A 79 -0.332 8.987 5.615 1.00 21.53 C ATOM 1295 C ARG A 79 0.073 7.708 4.855 1.00 54.41 C ATOM 1296 O ARG A 79 0.577 7.778 3.717 1.00 2.31 O ATOM 1297 CB ARG A 79 -1.731 9.503 5.150 1.00 0.45 C ATOM 1298 CG ARG A 79 -2.808 8.406 4.942 1.00 64.25 C ATOM 1299 CD ARG A 79 -4.124 8.938 4.326 1.00 60.25 C ATOM 1300 NE ARG A 79 -5.046 9.484 5.338 1.00 75.23 N ATOM 1301 CZ ARG A 79 -6.031 8.783 5.923 1.00 53.03 C ATOM 1302 NH1 ARG A 79 -6.230 7.510 5.614 1.00 33.20 N ATOM 1303 NH2 ARG A 79 -6.829 9.363 6.804 1.00 32.54 N ATOM 0 H ARG A 79 0.342 10.785 4.790 1.00 1.34 H new ATOM 0 HA ARG A 79 -0.396 8.759 6.679 1.00 21.53 H new ATOM 0 HB2 ARG A 79 -2.100 10.216 5.887 1.00 0.45 H new ATOM 0 HB3 ARG A 79 -1.606 10.048 4.214 1.00 0.45 H new ATOM 0 HG2 ARG A 79 -2.402 7.628 4.295 1.00 64.25 H new ATOM 0 HG3 ARG A 79 -3.029 7.939 5.902 1.00 64.25 H new ATOM 0 HD2 ARG A 79 -3.891 9.714 3.596 1.00 60.25 H new ATOM 0 HD3 ARG A 79 -4.620 8.131 3.786 1.00 60.25 H new ATOM 0 HE ARG A 79 -4.928 10.459 5.612 1.00 75.23 H new ATOM 0 HH11 ARG A 79 -5.632 7.053 4.926 1.00 33.20 H new ATOM 0 HH12 ARG A 79 -6.981 6.987 6.065 1.00 33.20 H new ATOM 0 HH21 ARG A 79 -6.698 10.346 7.041 1.00 32.54 H new ATOM 0 HH22 ARG A 79 -7.576 8.827 7.246 1.00 32.54 H new ATOM 1317 N VAL A 80 -0.125 6.549 5.503 1.00 14.05 N ATOM 1318 CA VAL A 80 0.165 5.236 4.918 1.00 51.31 C ATOM 1319 C VAL A 80 -1.149 4.435 4.832 1.00 32.41 C ATOM 1320 O VAL A 80 -1.838 4.268 5.843 1.00 3.32 O ATOM 1321 CB VAL A 80 1.238 4.449 5.765 1.00 34.44 C ATOM 1322 CG1 VAL A 80 1.707 3.177 5.023 1.00 51.43 C ATOM 1323 CG2 VAL A 80 2.438 5.352 6.139 1.00 52.44 C ATOM 0 H VAL A 80 -0.493 6.499 6.453 1.00 14.05 H new ATOM 0 HA VAL A 80 0.584 5.376 3.921 1.00 51.31 H new ATOM 0 HB VAL A 80 0.760 4.138 6.694 1.00 34.44 H new ATOM 0 HG11 VAL A 80 2.446 2.654 5.629 1.00 51.43 H new ATOM 0 HG12 VAL A 80 0.853 2.523 4.847 1.00 51.43 H new ATOM 0 HG13 VAL A 80 2.153 3.456 4.068 1.00 51.43 H new ATOM 0 HG21 VAL A 80 3.158 4.778 6.722 1.00 52.44 H new ATOM 0 HG22 VAL A 80 2.916 5.717 5.230 1.00 52.44 H new ATOM 0 HG23 VAL A 80 2.086 6.199 6.729 1.00 52.44 H new ATOM 1333 N LEU A 81 -1.512 4.004 3.613 1.00 51.54 N ATOM 1334 CA LEU A 81 -2.701 3.171 3.362 1.00 54.30 C ATOM 1335 C LEU A 81 -2.229 1.730 3.150 1.00 55.21 C ATOM 1336 O LEU A 81 -1.652 1.429 2.104 1.00 34.21 O ATOM 1337 CB LEU A 81 -3.463 3.639 2.083 1.00 61.43 C ATOM 1338 CG LEU A 81 -4.036 5.095 2.029 1.00 14.40 C ATOM 1339 CD1 LEU A 81 -4.948 5.389 3.216 1.00 54.14 C ATOM 1340 CD2 LEU A 81 -2.934 6.154 1.890 1.00 23.33 C ATOM 0 H LEU A 81 -0.986 4.225 2.768 1.00 51.54 H new ATOM 0 HA LEU A 81 -3.378 3.253 4.212 1.00 54.30 H new ATOM 0 HB2 LEU A 81 -2.787 3.520 1.236 1.00 61.43 H new ATOM 0 HB3 LEU A 81 -4.295 2.952 1.926 1.00 61.43 H new ATOM 0 HG LEU A 81 -4.644 5.154 1.126 1.00 14.40 H new ATOM 0 HD11 LEU A 81 -5.325 6.409 3.141 1.00 54.14 H new ATOM 0 HD12 LEU A 81 -5.786 4.691 3.213 1.00 54.14 H new ATOM 0 HD13 LEU A 81 -4.386 5.277 4.143 1.00 54.14 H new ATOM 0 HD21 LEU A 81 -3.385 7.146 1.857 1.00 23.33 H new ATOM 0 HD22 LEU A 81 -2.259 6.090 2.743 1.00 23.33 H new ATOM 0 HD23 LEU A 81 -2.375 5.979 0.971 1.00 23.33 H new ATOM 1352 N VAL A 82 -2.470 0.836 4.111 1.00 30.14 N ATOM 1353 CA VAL A 82 -1.972 -0.544 4.030 1.00 4.11 C ATOM 1354 C VAL A 82 -3.124 -1.514 3.711 1.00 65.43 C ATOM 1355 O VAL A 82 -3.996 -1.745 4.552 1.00 72.21 O ATOM 1356 CB VAL A 82 -1.217 -0.984 5.337 1.00 71.35 C ATOM 1357 CG1 VAL A 82 -0.519 -2.356 5.149 1.00 43.45 C ATOM 1358 CG2 VAL A 82 -0.207 0.099 5.792 1.00 4.32 C ATOM 0 H VAL A 82 -3.006 1.040 4.955 1.00 30.14 H new ATOM 0 HA VAL A 82 -1.246 -0.579 3.218 1.00 4.11 H new ATOM 0 HB VAL A 82 -1.961 -1.097 6.125 1.00 71.35 H new ATOM 0 HG11 VAL A 82 -0.006 -2.632 6.070 1.00 43.45 H new ATOM 0 HG12 VAL A 82 -1.265 -3.114 4.908 1.00 43.45 H new ATOM 0 HG13 VAL A 82 0.205 -2.288 4.337 1.00 43.45 H new ATOM 0 HG21 VAL A 82 0.300 -0.234 6.698 1.00 4.32 H new ATOM 0 HG22 VAL A 82 0.529 0.264 5.005 1.00 4.32 H new ATOM 0 HG23 VAL A 82 -0.738 1.029 5.994 1.00 4.32 H new ATOM 1368 N ILE A 83 -3.129 -2.048 2.476 1.00 54.30 N ATOM 1369 CA ILE A 83 -4.051 -3.122 2.054 1.00 60.41 C ATOM 1370 C ILE A 83 -3.275 -4.435 2.038 1.00 35.11 C ATOM 1371 O ILE A 83 -2.394 -4.613 1.201 1.00 52.50 O ATOM 1372 CB ILE A 83 -4.686 -2.859 0.627 1.00 51.33 C ATOM 1373 CG1 ILE A 83 -5.611 -1.611 0.671 1.00 32.32 C ATOM 1374 CG2 ILE A 83 -5.457 -4.100 0.092 1.00 3.44 C ATOM 1375 CD1 ILE A 83 -6.451 -1.387 -0.568 1.00 15.15 C ATOM 0 H ILE A 83 -2.492 -1.747 1.739 1.00 54.30 H new ATOM 0 HA ILE A 83 -4.879 -3.159 2.762 1.00 60.41 H new ATOM 0 HB ILE A 83 -3.868 -2.668 -0.067 1.00 51.33 H new ATOM 0 HG12 ILE A 83 -6.276 -1.702 1.530 1.00 32.32 H new ATOM 0 HG13 ILE A 83 -4.995 -0.727 0.837 1.00 32.32 H new ATOM 0 HG21 ILE A 83 -5.875 -3.874 -0.889 1.00 3.44 H new ATOM 0 HG22 ILE A 83 -4.773 -4.945 0.009 1.00 3.44 H new ATOM 0 HG23 ILE A 83 -6.263 -4.352 0.781 1.00 3.44 H new ATOM 0 HD11 ILE A 83 -7.060 -0.493 -0.438 1.00 15.15 H new ATOM 0 HD12 ILE A 83 -5.799 -1.259 -1.432 1.00 15.15 H new ATOM 0 HD13 ILE A 83 -7.100 -2.248 -0.728 1.00 15.15 H new ATOM 1387 N MET A 84 -3.577 -5.339 2.974 1.00 71.51 N ATOM 1388 CA MET A 84 -2.981 -6.685 2.993 1.00 70.44 C ATOM 1389 C MET A 84 -4.091 -7.686 2.689 1.00 61.11 C ATOM 1390 O MET A 84 -5.030 -7.837 3.480 1.00 32.44 O ATOM 1391 CB MET A 84 -2.306 -6.941 4.364 1.00 31.11 C ATOM 1392 CG MET A 84 -1.064 -6.074 4.618 1.00 63.43 C ATOM 1393 SD MET A 84 -0.520 -6.095 6.331 1.00 10.10 S ATOM 1394 CE MET A 84 -1.849 -5.207 7.144 1.00 33.11 C ATOM 0 H MET A 84 -4.234 -5.165 3.734 1.00 71.51 H new ATOM 0 HA MET A 84 -2.200 -6.789 2.240 1.00 70.44 H new ATOM 0 HB2 MET A 84 -3.033 -6.758 5.155 1.00 31.11 H new ATOM 0 HB3 MET A 84 -2.023 -7.992 4.428 1.00 31.11 H new ATOM 0 HG2 MET A 84 -0.250 -6.422 3.981 1.00 63.43 H new ATOM 0 HG3 MET A 84 -1.281 -5.047 4.325 1.00 63.43 H new ATOM 0 HE1 MET A 84 -1.443 -4.615 7.964 1.00 33.11 H new ATOM 0 HE2 MET A 84 -2.337 -4.547 6.427 1.00 33.11 H new ATOM 0 HE3 MET A 84 -2.576 -5.919 7.535 1.00 33.11 H new ATOM 1404 N VAL A 85 -3.990 -8.344 1.518 1.00 71.13 N ATOM 1405 CA VAL A 85 -5.038 -9.228 0.984 1.00 60.45 C ATOM 1406 C VAL A 85 -4.410 -10.437 0.293 1.00 72.53 C ATOM 1407 O VAL A 85 -3.663 -10.275 -0.667 1.00 73.12 O ATOM 1408 CB VAL A 85 -5.988 -8.496 -0.045 1.00 54.40 C ATOM 1409 CG1 VAL A 85 -6.955 -9.506 -0.718 1.00 34.22 C ATOM 1410 CG2 VAL A 85 -6.777 -7.353 0.636 1.00 61.20 C ATOM 0 H VAL A 85 -3.172 -8.275 0.913 1.00 71.13 H new ATOM 0 HA VAL A 85 -5.640 -9.542 1.837 1.00 60.45 H new ATOM 0 HB VAL A 85 -5.361 -8.054 -0.820 1.00 54.40 H new ATOM 0 HG11 VAL A 85 -7.599 -8.979 -1.422 1.00 34.22 H new ATOM 0 HG12 VAL A 85 -6.378 -10.263 -1.250 1.00 34.22 H new ATOM 0 HG13 VAL A 85 -7.568 -9.987 0.045 1.00 34.22 H new ATOM 0 HG21 VAL A 85 -7.422 -6.869 -0.097 1.00 61.20 H new ATOM 0 HG22 VAL A 85 -7.387 -7.762 1.442 1.00 61.20 H new ATOM 0 HG23 VAL A 85 -6.079 -6.622 1.044 1.00 61.20 H new ATOM 1420 N ASP A 86 -4.764 -11.625 0.788 1.00 31.12 N ATOM 1421 CA ASP A 86 -4.431 -12.927 0.200 1.00 75.11 C ATOM 1422 C ASP A 86 -5.052 -14.026 1.088 1.00 30.32 C ATOM 1423 O ASP A 86 -5.922 -13.738 1.917 1.00 42.43 O ATOM 1424 CB ASP A 86 -2.890 -13.127 -0.002 1.00 5.22 C ATOM 1425 CG ASP A 86 -2.056 -13.019 1.286 1.00 21.43 C ATOM 1426 OD1 ASP A 86 -1.441 -11.957 1.514 1.00 55.32 O ATOM 1427 OD2 ASP A 86 -1.987 -14.007 2.050 1.00 74.43 O ATOM 0 H ASP A 86 -5.312 -11.711 1.644 1.00 31.12 H new ATOM 0 HA ASP A 86 -4.851 -12.984 -0.804 1.00 75.11 H new ATOM 0 HB2 ASP A 86 -2.720 -14.107 -0.449 1.00 5.22 H new ATOM 0 HB3 ASP A 86 -2.531 -12.385 -0.715 1.00 5.22 H new ATOM 1432 N GLN A 87 -4.615 -15.275 0.880 1.00 33.15 N ATOM 1433 CA GLN A 87 -5.141 -16.458 1.584 1.00 75.42 C ATOM 1434 C GLN A 87 -4.883 -16.405 3.111 1.00 30.41 C ATOM 1435 O GLN A 87 -5.789 -16.677 3.906 1.00 11.41 O ATOM 1436 CB GLN A 87 -4.492 -17.730 0.975 1.00 52.02 C ATOM 1437 CG GLN A 87 -4.719 -17.887 -0.551 1.00 45.31 C ATOM 1438 CD GLN A 87 -3.832 -18.956 -1.208 1.00 13.42 C ATOM 1439 OE1 GLN A 87 -3.479 -19.961 -0.595 1.00 62.32 O ATOM 1440 NE2 GLN A 87 -3.457 -18.734 -2.458 1.00 53.22 N ATOM 0 H GLN A 87 -3.878 -15.498 0.211 1.00 33.15 H new ATOM 0 HA GLN A 87 -6.223 -16.478 1.451 1.00 75.42 H new ATOM 0 HB2 GLN A 87 -3.420 -17.708 1.172 1.00 52.02 H new ATOM 0 HB3 GLN A 87 -4.891 -18.608 1.483 1.00 52.02 H new ATOM 0 HG2 GLN A 87 -5.765 -18.138 -0.728 1.00 45.31 H new ATOM 0 HG3 GLN A 87 -4.535 -16.928 -1.036 1.00 45.31 H new ATOM 0 HE21 GLN A 87 -3.766 -17.890 -2.941 1.00 53.22 H new ATOM 0 HE22 GLN A 87 -2.859 -19.407 -2.938 1.00 53.22 H new ATOM 1449 N ASP A 88 -3.647 -16.059 3.509 1.00 45.32 N ATOM 1450 CA ASP A 88 -3.206 -16.141 4.918 1.00 2.13 C ATOM 1451 C ASP A 88 -3.722 -14.926 5.718 1.00 34.54 C ATOM 1452 O ASP A 88 -3.019 -13.931 5.883 1.00 42.42 O ATOM 1453 CB ASP A 88 -1.652 -16.265 5.019 1.00 10.42 C ATOM 1454 CG ASP A 88 -1.162 -16.820 6.385 1.00 23.50 C ATOM 1455 OD1 ASP A 88 -0.429 -17.834 6.405 1.00 33.24 O ATOM 1456 OD2 ASP A 88 -1.512 -16.266 7.448 1.00 73.01 O ATOM 0 H ASP A 88 -2.928 -15.717 2.871 1.00 45.32 H new ATOM 0 HA ASP A 88 -3.634 -17.043 5.355 1.00 2.13 H new ATOM 0 HB2 ASP A 88 -1.295 -16.917 4.222 1.00 10.42 H new ATOM 0 HB3 ASP A 88 -1.206 -15.285 4.853 1.00 10.42 H new ATOM 1461 N GLN A 89 -4.962 -15.040 6.224 1.00 65.33 N ATOM 1462 CA GLN A 89 -5.638 -13.958 6.970 1.00 14.11 C ATOM 1463 C GLN A 89 -4.992 -13.731 8.359 1.00 45.51 C ATOM 1464 O GLN A 89 -5.083 -12.629 8.904 1.00 31.02 O ATOM 1465 CB GLN A 89 -7.166 -14.263 7.100 1.00 10.53 C ATOM 1466 CG GLN A 89 -8.007 -13.157 7.791 1.00 23.15 C ATOM 1467 CD GLN A 89 -7.977 -11.787 7.085 1.00 55.01 C ATOM 1468 OE1 GLN A 89 -8.040 -10.749 7.735 1.00 23.24 O ATOM 1469 NE2 GLN A 89 -7.918 -11.771 5.757 1.00 1.41 N ATOM 0 H GLN A 89 -5.526 -15.884 6.129 1.00 65.33 H new ATOM 0 HA GLN A 89 -5.516 -13.033 6.407 1.00 14.11 H new ATOM 0 HB2 GLN A 89 -7.571 -14.435 6.103 1.00 10.53 H new ATOM 0 HB3 GLN A 89 -7.288 -15.191 7.658 1.00 10.53 H new ATOM 0 HG2 GLN A 89 -9.042 -13.494 7.856 1.00 23.15 H new ATOM 0 HG3 GLN A 89 -7.648 -13.032 8.812 1.00 23.15 H new ATOM 0 HE21 GLN A 89 -7.866 -12.648 5.238 1.00 1.41 H new ATOM 0 HE22 GLN A 89 -7.925 -10.882 5.257 1.00 1.41 H new ATOM 1478 N GLU A 90 -4.314 -14.767 8.896 1.00 73.05 N ATOM 1479 CA GLU A 90 -3.657 -14.699 10.219 1.00 33.14 C ATOM 1480 C GLU A 90 -2.503 -13.679 10.206 1.00 22.24 C ATOM 1481 O GLU A 90 -2.417 -12.814 11.086 1.00 23.15 O ATOM 1482 CB GLU A 90 -3.117 -16.089 10.628 1.00 51.25 C ATOM 1483 CG GLU A 90 -4.188 -17.189 10.722 1.00 0.45 C ATOM 1484 CD GLU A 90 -3.597 -18.560 11.085 1.00 30.33 C ATOM 1485 OE1 GLU A 90 -3.190 -19.306 10.170 1.00 42.31 O ATOM 1486 OE2 GLU A 90 -3.519 -18.894 12.283 1.00 65.04 O ATOM 0 H GLU A 90 -4.207 -15.668 8.429 1.00 73.05 H new ATOM 0 HA GLU A 90 -4.402 -14.377 10.946 1.00 33.14 H new ATOM 0 HB2 GLU A 90 -2.361 -16.397 9.906 1.00 51.25 H new ATOM 0 HB3 GLU A 90 -2.619 -16.001 11.594 1.00 51.25 H new ATOM 0 HG2 GLU A 90 -4.928 -16.907 11.471 1.00 0.45 H new ATOM 0 HG3 GLU A 90 -4.711 -17.264 9.769 1.00 0.45 H new ATOM 1493 N GLU A 91 -1.631 -13.794 9.188 1.00 2.02 N ATOM 1494 CA GLU A 91 -0.448 -12.933 9.020 1.00 51.12 C ATOM 1495 C GLU A 91 -0.873 -11.513 8.635 1.00 21.45 C ATOM 1496 O GLU A 91 -0.290 -10.535 9.099 1.00 33.21 O ATOM 1497 CB GLU A 91 0.505 -13.533 7.956 1.00 10.30 C ATOM 1498 CG GLU A 91 1.762 -12.685 7.667 1.00 12.22 C ATOM 1499 CD GLU A 91 2.823 -13.444 6.867 1.00 53.33 C ATOM 1500 OE1 GLU A 91 3.865 -13.836 7.451 1.00 21.15 O ATOM 1501 OE2 GLU A 91 2.601 -13.690 5.670 1.00 71.11 O ATOM 0 H GLU A 91 -1.729 -14.494 8.453 1.00 2.02 H new ATOM 0 HA GLU A 91 0.088 -12.882 9.968 1.00 51.12 H new ATOM 0 HB2 GLU A 91 0.819 -14.523 8.286 1.00 10.30 H new ATOM 0 HB3 GLU A 91 -0.048 -13.667 7.026 1.00 10.30 H new ATOM 0 HG2 GLU A 91 1.471 -11.790 7.117 1.00 12.22 H new ATOM 0 HG3 GLU A 91 2.195 -12.353 8.611 1.00 12.22 H new ATOM 1508 N LEU A 92 -1.920 -11.431 7.805 1.00 23.11 N ATOM 1509 CA LEU A 92 -2.550 -10.159 7.408 1.00 2.43 C ATOM 1510 C LEU A 92 -3.038 -9.384 8.650 1.00 12.32 C ATOM 1511 O LEU A 92 -2.766 -8.191 8.782 1.00 0.32 O ATOM 1512 CB LEU A 92 -3.718 -10.440 6.410 1.00 43.50 C ATOM 1513 CG LEU A 92 -3.331 -10.585 4.889 1.00 71.44 C ATOM 1514 CD1 LEU A 92 -1.947 -11.242 4.673 1.00 2.23 C ATOM 1515 CD2 LEU A 92 -4.440 -11.345 4.114 1.00 13.31 C ATOM 0 H LEU A 92 -2.360 -12.250 7.385 1.00 23.11 H new ATOM 0 HA LEU A 92 -1.813 -9.533 6.904 1.00 2.43 H new ATOM 0 HB2 LEU A 92 -4.219 -11.356 6.722 1.00 43.50 H new ATOM 0 HB3 LEU A 92 -4.445 -9.632 6.501 1.00 43.50 H new ATOM 0 HG LEU A 92 -3.250 -9.574 4.488 1.00 71.44 H new ATOM 0 HD11 LEU A 92 -1.740 -11.313 3.605 1.00 2.23 H new ATOM 0 HD12 LEU A 92 -1.178 -10.636 5.152 1.00 2.23 H new ATOM 0 HD13 LEU A 92 -1.946 -12.241 5.109 1.00 2.23 H new ATOM 0 HD21 LEU A 92 -4.155 -11.435 3.066 1.00 13.31 H new ATOM 0 HD22 LEU A 92 -4.567 -12.339 4.542 1.00 13.31 H new ATOM 0 HD23 LEU A 92 -5.378 -10.795 4.189 1.00 13.31 H new ATOM 1527 N GLU A 93 -3.712 -10.104 9.566 1.00 72.55 N ATOM 1528 CA GLU A 93 -4.264 -9.538 10.814 1.00 34.22 C ATOM 1529 C GLU A 93 -3.141 -9.225 11.838 1.00 74.55 C ATOM 1530 O GLU A 93 -3.274 -8.302 12.657 1.00 21.20 O ATOM 1531 CB GLU A 93 -5.302 -10.522 11.422 1.00 32.51 C ATOM 1532 CG GLU A 93 -6.100 -9.950 12.612 1.00 20.14 C ATOM 1533 CD GLU A 93 -7.072 -10.961 13.239 1.00 61.35 C ATOM 1534 OE1 GLU A 93 -6.802 -11.453 14.359 1.00 64.21 O ATOM 1535 OE2 GLU A 93 -8.113 -11.263 12.616 1.00 13.14 O ATOM 0 H GLU A 93 -3.891 -11.103 9.461 1.00 72.55 H new ATOM 0 HA GLU A 93 -4.760 -8.597 10.576 1.00 34.22 H new ATOM 0 HB2 GLU A 93 -6.001 -10.822 10.641 1.00 32.51 H new ATOM 0 HB3 GLU A 93 -4.783 -11.423 11.748 1.00 32.51 H new ATOM 0 HG2 GLU A 93 -5.402 -9.607 13.376 1.00 20.14 H new ATOM 0 HG3 GLU A 93 -6.661 -9.078 12.277 1.00 20.14 H new ATOM 1542 N ARG A 94 -2.044 -10.005 11.769 1.00 64.43 N ATOM 1543 CA ARG A 94 -0.841 -9.817 12.614 1.00 32.14 C ATOM 1544 C ARG A 94 -0.203 -8.441 12.336 1.00 11.32 C ATOM 1545 O ARG A 94 -0.019 -7.630 13.254 1.00 22.22 O ATOM 1546 CB ARG A 94 0.181 -10.968 12.348 1.00 50.41 C ATOM 1547 CG ARG A 94 1.591 -10.783 12.970 1.00 40.32 C ATOM 1548 CD ARG A 94 1.600 -10.816 14.513 1.00 1.34 C ATOM 1549 NE ARG A 94 2.952 -10.547 15.046 1.00 41.21 N ATOM 1550 CZ ARG A 94 3.855 -11.466 15.416 1.00 4.32 C ATOM 1551 NH1 ARG A 94 3.592 -12.763 15.335 1.00 31.31 N ATOM 1552 NH2 ARG A 94 5.048 -11.061 15.834 1.00 72.24 N ATOM 0 H ARG A 94 -1.964 -10.789 11.122 1.00 64.43 H new ATOM 0 HA ARG A 94 -1.133 -9.850 13.664 1.00 32.14 H new ATOM 0 HB2 ARG A 94 -0.243 -11.898 12.727 1.00 50.41 H new ATOM 0 HB3 ARG A 94 0.294 -11.085 11.270 1.00 50.41 H new ATOM 0 HG2 ARG A 94 2.249 -11.567 12.595 1.00 40.32 H new ATOM 0 HG3 ARG A 94 2.004 -9.832 12.634 1.00 40.32 H new ATOM 0 HD2 ARG A 94 0.900 -10.075 14.899 1.00 1.34 H new ATOM 0 HD3 ARG A 94 1.257 -11.790 14.860 1.00 1.34 H new ATOM 0 HE ARG A 94 3.224 -9.569 15.141 1.00 41.21 H new ATOM 0 HH11 ARG A 94 2.687 -13.079 14.985 1.00 31.31 H new ATOM 0 HH12 ARG A 94 4.294 -13.445 15.622 1.00 31.31 H new ATOM 0 HH21 ARG A 94 5.265 -10.065 15.870 1.00 72.24 H new ATOM 0 HH22 ARG A 94 5.748 -11.746 16.120 1.00 72.24 H new ATOM 1566 N ILE A 95 0.110 -8.190 11.056 1.00 1.44 N ATOM 1567 CA ILE A 95 0.722 -6.927 10.609 1.00 62.33 C ATOM 1568 C ILE A 95 -0.272 -5.758 10.837 1.00 42.34 C ATOM 1569 O ILE A 95 0.110 -4.681 11.328 1.00 44.14 O ATOM 1570 CB ILE A 95 1.128 -7.003 9.090 1.00 44.21 C ATOM 1571 CG1 ILE A 95 1.943 -8.306 8.773 1.00 61.13 C ATOM 1572 CG2 ILE A 95 1.929 -5.745 8.681 1.00 71.34 C ATOM 1573 CD1 ILE A 95 2.213 -8.543 7.292 1.00 64.14 C ATOM 0 H ILE A 95 -0.053 -8.856 10.301 1.00 1.44 H new ATOM 0 HA ILE A 95 1.627 -6.755 11.192 1.00 62.33 H new ATOM 0 HB ILE A 95 0.210 -7.040 8.503 1.00 44.21 H new ATOM 0 HG12 ILE A 95 2.896 -8.259 9.299 1.00 61.13 H new ATOM 0 HG13 ILE A 95 1.401 -9.164 9.171 1.00 61.13 H new ATOM 0 HG21 ILE A 95 2.202 -5.814 7.628 1.00 71.34 H new ATOM 0 HG22 ILE A 95 1.318 -4.857 8.840 1.00 71.34 H new ATOM 0 HG23 ILE A 95 2.833 -5.677 9.286 1.00 71.34 H new ATOM 0 HD11 ILE A 95 2.781 -9.465 7.169 1.00 64.14 H new ATOM 0 HD12 ILE A 95 1.266 -8.626 6.758 1.00 64.14 H new ATOM 0 HD13 ILE A 95 2.785 -7.708 6.888 1.00 64.14 H new ATOM 1585 N TYR A 96 -1.557 -6.033 10.508 1.00 10.43 N ATOM 1586 CA TYR A 96 -2.689 -5.094 10.672 1.00 3.43 C ATOM 1587 C TYR A 96 -2.709 -4.487 12.074 1.00 44.13 C ATOM 1588 O TYR A 96 -2.722 -3.269 12.204 1.00 15.33 O ATOM 1589 CB TYR A 96 -4.024 -5.838 10.377 1.00 12.34 C ATOM 1590 CG TYR A 96 -5.331 -5.050 10.594 1.00 2.22 C ATOM 1591 CD1 TYR A 96 -5.921 -4.321 9.561 1.00 33.51 C ATOM 1592 CD2 TYR A 96 -6.004 -5.078 11.822 1.00 24.34 C ATOM 1593 CE1 TYR A 96 -7.119 -3.645 9.750 1.00 40.10 C ATOM 1594 CE2 TYR A 96 -7.193 -4.400 12.012 1.00 42.41 C ATOM 1595 CZ TYR A 96 -7.749 -3.690 10.976 1.00 74.34 C ATOM 1596 OH TYR A 96 -8.938 -3.012 11.172 1.00 33.22 O ATOM 0 H TYR A 96 -1.839 -6.931 10.114 1.00 10.43 H new ATOM 0 HA TYR A 96 -2.568 -4.274 9.964 1.00 3.43 H new ATOM 0 HB2 TYR A 96 -4.001 -6.176 9.341 1.00 12.34 H new ATOM 0 HB3 TYR A 96 -4.059 -6.730 11.002 1.00 12.34 H new ATOM 0 HD1 TYR A 96 -5.437 -4.282 8.596 1.00 33.51 H new ATOM 0 HD2 TYR A 96 -5.583 -5.643 12.640 1.00 24.34 H new ATOM 0 HE1 TYR A 96 -7.557 -3.084 8.938 1.00 40.10 H new ATOM 0 HE2 TYR A 96 -7.684 -4.428 12.973 1.00 42.41 H new ATOM 0 HH TYR A 96 -9.246 -3.151 12.092 1.00 33.22 H new ATOM 1606 N GLU A 97 -2.663 -5.363 13.102 1.00 31.54 N ATOM 1607 CA GLU A 97 -2.726 -4.969 14.519 1.00 21.23 C ATOM 1608 C GLU A 97 -1.603 -3.975 14.874 1.00 31.23 C ATOM 1609 O GLU A 97 -1.868 -2.905 15.433 1.00 25.51 O ATOM 1610 CB GLU A 97 -2.620 -6.214 15.435 1.00 13.20 C ATOM 1611 CG GLU A 97 -2.759 -5.892 16.937 1.00 74.53 C ATOM 1612 CD GLU A 97 -2.503 -7.099 17.849 1.00 24.32 C ATOM 1613 OE1 GLU A 97 -3.447 -7.868 18.106 1.00 32.03 O ATOM 1614 OE2 GLU A 97 -1.355 -7.281 18.310 1.00 71.31 O ATOM 0 H GLU A 97 -2.580 -6.371 12.966 1.00 31.54 H new ATOM 0 HA GLU A 97 -3.687 -4.481 14.680 1.00 21.23 H new ATOM 0 HB2 GLU A 97 -3.393 -6.929 15.153 1.00 13.20 H new ATOM 0 HB3 GLU A 97 -1.659 -6.699 15.264 1.00 13.20 H new ATOM 0 HG2 GLU A 97 -2.060 -5.097 17.196 1.00 74.53 H new ATOM 0 HG3 GLU A 97 -3.762 -5.510 17.127 1.00 74.53 H new ATOM 1621 N GLN A 98 -0.362 -4.345 14.494 1.00 21.53 N ATOM 1622 CA GLN A 98 0.863 -3.552 14.751 1.00 31.31 C ATOM 1623 C GLN A 98 0.723 -2.104 14.230 1.00 4.21 C ATOM 1624 O GLN A 98 1.092 -1.139 14.918 1.00 65.44 O ATOM 1625 CB GLN A 98 2.095 -4.261 14.099 1.00 31.20 C ATOM 1626 CG GLN A 98 3.448 -3.502 14.226 1.00 41.32 C ATOM 1627 CD GLN A 98 3.886 -3.234 15.677 1.00 4.30 C ATOM 1628 OE1 GLN A 98 3.620 -4.016 16.584 1.00 13.33 O ATOM 1629 NE2 GLN A 98 4.543 -2.111 15.913 1.00 4.01 N ATOM 0 H GLN A 98 -0.178 -5.214 13.993 1.00 21.53 H new ATOM 0 HA GLN A 98 1.014 -3.492 15.829 1.00 31.31 H new ATOM 0 HB2 GLN A 98 2.207 -5.246 14.552 1.00 31.20 H new ATOM 0 HB3 GLN A 98 1.884 -4.418 13.041 1.00 31.20 H new ATOM 0 HG2 GLN A 98 4.224 -4.080 13.725 1.00 41.32 H new ATOM 0 HG3 GLN A 98 3.369 -2.550 13.700 1.00 41.32 H new ATOM 0 HE21 GLN A 98 4.755 -1.473 15.146 1.00 4.01 H new ATOM 0 HE22 GLN A 98 4.838 -1.882 16.862 1.00 4.01 H new ATOM 1638 N LEU A 99 0.161 -1.983 13.025 1.00 33.44 N ATOM 1639 CA LEU A 99 0.009 -0.691 12.328 1.00 44.11 C ATOM 1640 C LEU A 99 -1.257 0.076 12.799 1.00 35.04 C ATOM 1641 O LEU A 99 -1.276 1.316 12.832 1.00 51.23 O ATOM 1642 CB LEU A 99 -0.057 -0.970 10.808 1.00 12.21 C ATOM 1643 CG LEU A 99 1.084 -1.857 10.213 1.00 23.33 C ATOM 1644 CD1 LEU A 99 0.902 -2.081 8.700 1.00 11.11 C ATOM 1645 CD2 LEU A 99 2.476 -1.290 10.545 1.00 45.40 C ATOM 0 H LEU A 99 -0.204 -2.777 12.499 1.00 33.44 H new ATOM 0 HA LEU A 99 0.863 -0.055 12.562 1.00 44.11 H new ATOM 0 HB2 LEU A 99 -1.011 -1.450 10.590 1.00 12.21 H new ATOM 0 HB3 LEU A 99 -0.054 -0.014 10.285 1.00 12.21 H new ATOM 0 HG LEU A 99 1.015 -2.835 10.690 1.00 23.33 H new ATOM 0 HD11 LEU A 99 1.715 -2.702 8.324 1.00 11.11 H new ATOM 0 HD12 LEU A 99 -0.050 -2.580 8.518 1.00 11.11 H new ATOM 0 HD13 LEU A 99 0.912 -1.120 8.186 1.00 11.11 H new ATOM 0 HD21 LEU A 99 3.243 -1.934 10.115 1.00 45.40 H new ATOM 0 HD22 LEU A 99 2.569 -0.287 10.129 1.00 45.40 H new ATOM 0 HD23 LEU A 99 2.603 -1.248 11.627 1.00 45.40 H new ATOM 1657 N LYS A 100 -2.296 -0.690 13.186 1.00 73.35 N ATOM 1658 CA LYS A 100 -3.633 -0.163 13.547 1.00 1.34 C ATOM 1659 C LYS A 100 -3.547 0.592 14.877 1.00 72.51 C ATOM 1660 O LYS A 100 -4.140 1.667 15.027 1.00 42.21 O ATOM 1661 CB LYS A 100 -4.650 -1.354 13.620 1.00 11.22 C ATOM 1662 CG LYS A 100 -6.164 -0.999 13.671 1.00 60.21 C ATOM 1663 CD LYS A 100 -6.676 -0.643 15.086 1.00 4.41 C ATOM 1664 CE LYS A 100 -8.207 -0.566 15.154 1.00 51.21 C ATOM 1665 NZ LYS A 100 -8.836 -1.853 14.750 1.00 71.41 N ATOM 0 H LYS A 100 -2.232 -1.705 13.259 1.00 73.35 H new ATOM 0 HA LYS A 100 -3.982 0.539 12.790 1.00 1.34 H new ATOM 0 HB2 LYS A 100 -4.483 -1.994 12.753 1.00 11.22 H new ATOM 0 HB3 LYS A 100 -4.413 -1.946 14.504 1.00 11.22 H new ATOM 0 HG2 LYS A 100 -6.353 -0.157 13.005 1.00 60.21 H new ATOM 0 HG3 LYS A 100 -6.738 -1.843 13.289 1.00 60.21 H new ATOM 0 HD2 LYS A 100 -6.321 -1.390 15.796 1.00 4.41 H new ATOM 0 HD3 LYS A 100 -6.253 0.314 15.392 1.00 4.41 H new ATOM 0 HE2 LYS A 100 -8.515 -0.312 16.168 1.00 51.21 H new ATOM 0 HE3 LYS A 100 -8.561 0.234 14.503 1.00 51.21 H new ATOM 0 HZ1 LYS A 100 -9.803 -1.902 15.131 1.00 71.41 H new ATOM 0 HZ2 LYS A 100 -8.869 -1.912 13.712 1.00 71.41 H new ATOM 0 HZ3 LYS A 100 -8.276 -2.646 15.124 1.00 71.41 H new ATOM 1679 N LYS A 101 -2.793 0.004 15.825 1.00 13.23 N ATOM 1680 CA LYS A 101 -2.509 0.595 17.150 1.00 33.23 C ATOM 1681 C LYS A 101 -1.953 2.022 17.030 1.00 21.35 C ATOM 1682 O LYS A 101 -2.349 2.925 17.778 1.00 10.32 O ATOM 1683 CB LYS A 101 -1.483 -0.283 17.914 1.00 64.33 C ATOM 1684 CG LYS A 101 -2.003 -1.668 18.348 1.00 21.32 C ATOM 1685 CD LYS A 101 -0.900 -2.501 19.038 1.00 4.43 C ATOM 1686 CE LYS A 101 -1.428 -3.790 19.674 1.00 72.33 C ATOM 1687 NZ LYS A 101 -0.348 -4.570 20.327 1.00 73.33 N ATOM 0 H LYS A 101 -2.357 -0.908 15.692 1.00 13.23 H new ATOM 0 HA LYS A 101 -3.451 0.637 17.696 1.00 33.23 H new ATOM 0 HB2 LYS A 101 -0.606 -0.423 17.282 1.00 64.33 H new ATOM 0 HB3 LYS A 101 -1.154 0.259 18.801 1.00 64.33 H new ATOM 0 HG2 LYS A 101 -2.845 -1.544 19.029 1.00 21.32 H new ATOM 0 HG3 LYS A 101 -2.375 -2.207 17.476 1.00 21.32 H new ATOM 0 HD2 LYS A 101 -0.132 -2.752 18.306 1.00 4.43 H new ATOM 0 HD3 LYS A 101 -0.422 -1.894 19.806 1.00 4.43 H new ATOM 0 HE2 LYS A 101 -2.193 -3.544 20.410 1.00 72.33 H new ATOM 0 HE3 LYS A 101 -1.906 -4.402 18.909 1.00 72.33 H new ATOM 0 HZ1 LYS A 101 -0.748 -5.434 20.745 1.00 73.33 H new ATOM 0 HZ2 LYS A 101 0.370 -4.827 19.620 1.00 73.33 H new ATOM 0 HZ3 LYS A 101 0.092 -3.996 21.074 1.00 73.33 H new ATOM 1701 N ASP A 102 -1.040 2.201 16.067 1.00 63.14 N ATOM 1702 CA ASP A 102 -0.335 3.472 15.842 1.00 63.22 C ATOM 1703 C ASP A 102 -1.289 4.570 15.301 1.00 1.24 C ATOM 1704 O ASP A 102 -1.091 5.766 15.568 1.00 62.40 O ATOM 1705 CB ASP A 102 0.835 3.217 14.851 1.00 12.43 C ATOM 1706 CG ASP A 102 1.680 4.475 14.566 1.00 44.34 C ATOM 1707 OD1 ASP A 102 2.765 4.641 15.170 1.00 75.55 O ATOM 1708 OD2 ASP A 102 1.263 5.310 13.743 1.00 42.33 O ATOM 0 H ASP A 102 -0.767 1.464 15.417 1.00 63.14 H new ATOM 0 HA ASP A 102 0.054 3.838 16.792 1.00 63.22 H new ATOM 0 HB2 ASP A 102 1.481 2.438 15.256 1.00 12.43 H new ATOM 0 HB3 ASP A 102 0.430 2.839 13.912 1.00 12.43 H new ATOM 1713 N GLY A 103 -2.335 4.144 14.574 1.00 10.34 N ATOM 1714 CA GLY A 103 -3.286 5.063 13.930 1.00 61.13 C ATOM 1715 C GLY A 103 -3.118 5.127 12.417 1.00 0.43 C ATOM 1716 O GLY A 103 -3.694 6.005 11.765 1.00 64.31 O ATOM 0 H GLY A 103 -2.544 3.158 14.417 1.00 10.34 H new ATOM 0 HA2 GLY A 103 -4.303 4.748 14.164 1.00 61.13 H new ATOM 0 HA3 GLY A 103 -3.157 6.062 14.347 1.00 61.13 H new ATOM 1720 N VAL A 104 -2.315 4.205 11.865 1.00 4.12 N ATOM 1721 CA VAL A 104 -2.135 4.052 10.409 1.00 51.32 C ATOM 1722 C VAL A 104 -3.438 3.513 9.784 1.00 61.31 C ATOM 1723 O VAL A 104 -4.096 2.651 10.395 1.00 34.01 O ATOM 1724 CB VAL A 104 -0.932 3.077 10.102 1.00 61.21 C ATOM 1725 CG1 VAL A 104 -0.719 2.856 8.587 1.00 44.54 C ATOM 1726 CG2 VAL A 104 0.365 3.583 10.780 1.00 20.31 C ATOM 0 H VAL A 104 -1.770 3.542 12.415 1.00 4.12 H new ATOM 0 HA VAL A 104 -1.904 5.024 9.973 1.00 51.32 H new ATOM 0 HB VAL A 104 -1.191 2.106 10.524 1.00 61.21 H new ATOM 0 HG11 VAL A 104 0.120 2.178 8.433 1.00 44.54 H new ATOM 0 HG12 VAL A 104 -1.620 2.423 8.152 1.00 44.54 H new ATOM 0 HG13 VAL A 104 -0.507 3.811 8.106 1.00 44.54 H new ATOM 0 HG21 VAL A 104 1.183 2.898 10.557 1.00 20.31 H new ATOM 0 HG22 VAL A 104 0.610 4.576 10.402 1.00 20.31 H new ATOM 0 HG23 VAL A 104 0.216 3.632 11.859 1.00 20.31 H new ATOM 1736 N ASP A 105 -3.827 4.029 8.592 1.00 5.54 N ATOM 1737 CA ASP A 105 -5.004 3.513 7.879 1.00 25.50 C ATOM 1738 C ASP A 105 -4.643 2.140 7.302 1.00 14.24 C ATOM 1739 O ASP A 105 -3.740 2.023 6.469 1.00 2.24 O ATOM 1740 CB ASP A 105 -5.486 4.468 6.753 1.00 41.40 C ATOM 1741 CG ASP A 105 -6.842 4.066 6.092 1.00 14.11 C ATOM 1742 OD1 ASP A 105 -7.401 2.984 6.382 1.00 44.51 O ATOM 1743 OD2 ASP A 105 -7.358 4.843 5.262 1.00 71.43 O ATOM 0 H ASP A 105 -3.345 4.792 8.116 1.00 5.54 H new ATOM 0 HA ASP A 105 -5.833 3.433 8.583 1.00 25.50 H new ATOM 0 HB2 ASP A 105 -5.582 5.473 7.164 1.00 41.40 H new ATOM 0 HB3 ASP A 105 -4.719 4.512 5.979 1.00 41.40 H new ATOM 1748 N VAL A 106 -5.358 1.118 7.763 1.00 44.23 N ATOM 1749 CA VAL A 106 -5.067 -0.287 7.474 1.00 51.51 C ATOM 1750 C VAL A 106 -6.382 -1.044 7.277 1.00 50.31 C ATOM 1751 O VAL A 106 -7.405 -0.712 7.892 1.00 12.10 O ATOM 1752 CB VAL A 106 -4.217 -0.968 8.617 1.00 13.03 C ATOM 1753 CG1 VAL A 106 -2.798 -0.378 8.691 1.00 43.41 C ATOM 1754 CG2 VAL A 106 -4.911 -0.857 9.996 1.00 53.43 C ATOM 0 H VAL A 106 -6.174 1.244 8.361 1.00 44.23 H new ATOM 0 HA VAL A 106 -4.470 -0.326 6.563 1.00 51.51 H new ATOM 0 HB VAL A 106 -4.140 -2.025 8.361 1.00 13.03 H new ATOM 0 HG11 VAL A 106 -2.241 -0.870 9.488 1.00 43.41 H new ATOM 0 HG12 VAL A 106 -2.288 -0.537 7.741 1.00 43.41 H new ATOM 0 HG13 VAL A 106 -2.859 0.691 8.896 1.00 43.41 H new ATOM 0 HG21 VAL A 106 -4.293 -1.338 10.754 1.00 53.43 H new ATOM 0 HG22 VAL A 106 -5.046 0.194 10.252 1.00 53.43 H new ATOM 0 HG23 VAL A 106 -5.883 -1.349 9.955 1.00 53.43 H new ATOM 1764 N ARG A 107 -6.347 -2.044 6.391 1.00 1.14 N ATOM 1765 CA ARG A 107 -7.497 -2.891 6.076 1.00 31.11 C ATOM 1766 C ARG A 107 -7.024 -4.227 5.493 1.00 33.34 C ATOM 1767 O ARG A 107 -6.053 -4.279 4.713 1.00 73.23 O ATOM 1768 CB ARG A 107 -8.508 -2.182 5.118 1.00 23.32 C ATOM 1769 CG ARG A 107 -7.974 -1.729 3.734 1.00 5.24 C ATOM 1770 CD ARG A 107 -7.090 -0.457 3.789 1.00 31.11 C ATOM 1771 NE ARG A 107 -7.801 0.730 4.313 1.00 13.23 N ATOM 1772 CZ ARG A 107 -8.788 1.388 3.681 1.00 11.30 C ATOM 1773 NH1 ARG A 107 -9.218 0.996 2.483 1.00 65.15 N ATOM 1774 NH2 ARG A 107 -9.302 2.480 4.228 1.00 72.01 N ATOM 0 H ARG A 107 -5.507 -2.290 5.867 1.00 1.14 H new ATOM 0 HA ARG A 107 -8.032 -3.083 7.006 1.00 31.11 H new ATOM 0 HB2 ARG A 107 -9.347 -2.858 4.952 1.00 23.32 H new ATOM 0 HB3 ARG A 107 -8.902 -1.305 5.632 1.00 23.32 H new ATOM 0 HG2 ARG A 107 -7.397 -2.542 3.294 1.00 5.24 H new ATOM 0 HG3 ARG A 107 -8.820 -1.544 3.072 1.00 5.24 H new ATOM 0 HD2 ARG A 107 -6.219 -0.655 4.414 1.00 31.11 H new ATOM 0 HD3 ARG A 107 -6.720 -0.237 2.788 1.00 31.11 H new ATOM 0 HE ARG A 107 -7.519 1.078 5.229 1.00 13.23 H new ATOM 0 HH11 ARG A 107 -8.797 0.184 2.031 1.00 65.15 H new ATOM 0 HH12 ARG A 107 -9.968 1.507 2.018 1.00 65.15 H new ATOM 0 HH21 ARG A 107 -8.948 2.817 5.124 1.00 72.01 H new ATOM 0 HH22 ARG A 107 -10.051 2.984 3.753 1.00 72.01 H new ATOM 1788 N VAL A 108 -7.709 -5.310 5.902 1.00 2.35 N ATOM 1789 CA VAL A 108 -7.395 -6.689 5.492 1.00 13.34 C ATOM 1790 C VAL A 108 -8.681 -7.436 5.110 1.00 32.53 C ATOM 1791 O VAL A 108 -9.756 -7.190 5.685 1.00 72.31 O ATOM 1792 CB VAL A 108 -6.623 -7.484 6.619 1.00 63.52 C ATOM 1793 CG1 VAL A 108 -5.207 -6.912 6.829 1.00 3.25 C ATOM 1794 CG2 VAL A 108 -7.412 -7.503 7.957 1.00 4.21 C ATOM 0 H VAL A 108 -8.507 -5.250 6.535 1.00 2.35 H new ATOM 0 HA VAL A 108 -6.738 -6.627 4.624 1.00 13.34 H new ATOM 0 HB VAL A 108 -6.530 -8.515 6.279 1.00 63.52 H new ATOM 0 HG11 VAL A 108 -4.698 -7.477 7.610 1.00 3.25 H new ATOM 0 HG12 VAL A 108 -4.642 -6.988 5.900 1.00 3.25 H new ATOM 0 HG13 VAL A 108 -5.278 -5.866 7.126 1.00 3.25 H new ATOM 0 HG21 VAL A 108 -6.847 -8.059 8.705 1.00 4.21 H new ATOM 0 HG22 VAL A 108 -7.565 -6.481 8.304 1.00 4.21 H new ATOM 0 HG23 VAL A 108 -8.379 -7.982 7.803 1.00 4.21 H new ATOM 1804 N THR A 109 -8.564 -8.320 4.117 1.00 43.45 N ATOM 1805 CA THR A 109 -9.634 -9.231 3.695 1.00 61.41 C ATOM 1806 C THR A 109 -8.996 -10.384 2.912 1.00 61.32 C ATOM 1807 O THR A 109 -7.928 -10.216 2.314 1.00 54.32 O ATOM 1808 CB THR A 109 -10.739 -8.503 2.828 1.00 21.24 C ATOM 1809 OG1 THR A 109 -11.839 -9.383 2.567 1.00 51.53 O ATOM 1810 CG2 THR A 109 -10.198 -7.966 1.490 1.00 21.11 C ATOM 0 H THR A 109 -7.708 -8.426 3.573 1.00 43.45 H new ATOM 0 HA THR A 109 -10.147 -9.608 4.580 1.00 61.41 H new ATOM 0 HB THR A 109 -11.071 -7.650 3.420 1.00 21.24 H new ATOM 0 HG1 THR A 109 -12.629 -8.856 2.324 1.00 51.53 H new ATOM 0 HG21 THR A 109 -11.004 -7.478 0.942 1.00 21.11 H new ATOM 0 HG22 THR A 109 -9.402 -7.247 1.682 1.00 21.11 H new ATOM 0 HG23 THR A 109 -9.805 -8.793 0.898 1.00 21.11 H new ATOM 1818 N ASP A 110 -9.611 -11.569 2.956 1.00 74.22 N ATOM 1819 CA ASP A 110 -9.133 -12.735 2.194 1.00 52.54 C ATOM 1820 C ASP A 110 -10.055 -12.964 0.981 1.00 42.44 C ATOM 1821 O ASP A 110 -10.998 -13.751 1.047 1.00 54.10 O ATOM 1822 CB ASP A 110 -9.045 -13.995 3.123 1.00 24.11 C ATOM 1823 CG ASP A 110 -10.317 -14.233 3.972 1.00 65.21 C ATOM 1824 OD1 ASP A 110 -10.463 -13.570 5.024 1.00 62.42 O ATOM 1825 OD2 ASP A 110 -11.180 -15.057 3.591 1.00 41.41 O ATOM 0 H ASP A 110 -10.446 -11.751 3.513 1.00 74.22 H new ATOM 0 HA ASP A 110 -8.127 -12.549 1.819 1.00 52.54 H new ATOM 0 HB2 ASP A 110 -8.859 -14.876 2.509 1.00 24.11 H new ATOM 0 HB3 ASP A 110 -8.190 -13.885 3.789 1.00 24.11 H new ATOM 1830 N ASN A 111 -9.758 -12.229 -0.118 1.00 23.53 N ATOM 1831 CA ASN A 111 -10.419 -12.356 -1.447 1.00 43.21 C ATOM 1832 C ASN A 111 -9.998 -11.165 -2.330 1.00 14.21 C ATOM 1833 O ASN A 111 -9.792 -10.050 -1.828 1.00 31.41 O ATOM 1834 CB ASN A 111 -11.979 -12.429 -1.379 1.00 14.11 C ATOM 1835 CG ASN A 111 -12.647 -11.124 -0.954 1.00 51.25 C ATOM 1836 OD1 ASN A 111 -13.048 -10.324 -1.796 1.00 2.31 O ATOM 1837 ND2 ASN A 111 -12.730 -10.885 0.341 1.00 42.14 N ATOM 0 H ASN A 111 -9.033 -11.511 -0.108 1.00 23.53 H new ATOM 0 HA ASN A 111 -10.090 -13.305 -1.871 1.00 43.21 H new ATOM 0 HB2 ASN A 111 -12.361 -12.718 -2.358 1.00 14.11 H new ATOM 0 HB3 ASN A 111 -12.265 -13.215 -0.680 1.00 14.11 H new ATOM 0 HD21 ASN A 111 -13.138 -10.011 0.673 1.00 42.14 H new ATOM 0 HD22 ASN A 111 -12.386 -11.574 1.010 1.00 42.14 H new ATOM 1844 N GLU A 112 -9.919 -11.406 -3.640 1.00 63.42 N ATOM 1845 CA GLU A 112 -9.418 -10.430 -4.619 1.00 43.44 C ATOM 1846 C GLU A 112 -10.428 -9.288 -4.877 1.00 50.41 C ATOM 1847 O GLU A 112 -10.029 -8.123 -4.984 1.00 31.15 O ATOM 1848 CB GLU A 112 -9.072 -11.159 -5.938 1.00 23.22 C ATOM 1849 CG GLU A 112 -8.416 -10.275 -7.017 1.00 21.51 C ATOM 1850 CD GLU A 112 -8.184 -11.041 -8.324 1.00 41.23 C ATOM 1851 OE1 GLU A 112 -9.023 -10.931 -9.250 1.00 11.04 O ATOM 1852 OE2 GLU A 112 -7.179 -11.783 -8.423 1.00 42.01 O ATOM 0 H GLU A 112 -10.203 -12.292 -4.059 1.00 63.42 H new ATOM 0 HA GLU A 112 -8.521 -9.968 -4.207 1.00 43.44 H new ATOM 0 HB2 GLU A 112 -8.402 -11.989 -5.712 1.00 23.22 H new ATOM 0 HB3 GLU A 112 -9.985 -11.590 -6.348 1.00 23.22 H new ATOM 0 HG2 GLU A 112 -9.050 -9.410 -7.211 1.00 21.51 H new ATOM 0 HG3 GLU A 112 -7.464 -9.896 -6.645 1.00 21.51 H new ATOM 1859 N ASP A 113 -11.734 -9.628 -4.935 1.00 32.00 N ATOM 1860 CA ASP A 113 -12.810 -8.679 -5.327 1.00 40.44 C ATOM 1861 C ASP A 113 -12.861 -7.448 -4.403 1.00 53.44 C ATOM 1862 O ASP A 113 -12.858 -6.303 -4.876 1.00 4.11 O ATOM 1863 CB ASP A 113 -14.198 -9.384 -5.346 1.00 63.42 C ATOM 1864 CG ASP A 113 -14.385 -10.363 -6.522 1.00 61.51 C ATOM 1865 OD1 ASP A 113 -13.989 -11.543 -6.407 1.00 25.42 O ATOM 1866 OD2 ASP A 113 -14.937 -9.951 -7.571 1.00 24.14 O ATOM 0 H ASP A 113 -12.076 -10.563 -4.713 1.00 32.00 H new ATOM 0 HA ASP A 113 -12.572 -8.334 -6.333 1.00 40.44 H new ATOM 0 HB2 ASP A 113 -14.332 -9.926 -4.410 1.00 63.42 H new ATOM 0 HB3 ASP A 113 -14.979 -8.625 -5.390 1.00 63.42 H new ATOM 1871 N GLU A 114 -12.887 -7.702 -3.085 1.00 43.12 N ATOM 1872 CA GLU A 114 -13.014 -6.648 -2.069 1.00 25.13 C ATOM 1873 C GLU A 114 -11.749 -5.773 -2.012 1.00 71.21 C ATOM 1874 O GLU A 114 -11.834 -4.567 -1.758 1.00 24.43 O ATOM 1875 CB GLU A 114 -13.318 -7.272 -0.685 1.00 55.42 C ATOM 1876 CG GLU A 114 -13.618 -6.256 0.436 1.00 51.30 C ATOM 1877 CD GLU A 114 -14.873 -5.396 0.168 1.00 14.02 C ATOM 1878 OE1 GLU A 114 -15.984 -5.785 0.595 1.00 32.42 O ATOM 1879 OE2 GLU A 114 -14.760 -4.318 -0.457 1.00 32.43 O ATOM 0 H GLU A 114 -12.821 -8.642 -2.695 1.00 43.12 H new ATOM 0 HA GLU A 114 -13.847 -6.003 -2.349 1.00 25.13 H new ATOM 0 HB2 GLU A 114 -14.172 -7.943 -0.785 1.00 55.42 H new ATOM 0 HB3 GLU A 114 -12.467 -7.882 -0.383 1.00 55.42 H new ATOM 0 HG2 GLU A 114 -13.749 -6.792 1.376 1.00 51.30 H new ATOM 0 HG3 GLU A 114 -12.757 -5.599 0.560 1.00 51.30 H new ATOM 1886 N ALA A 115 -10.584 -6.396 -2.282 1.00 0.34 N ATOM 1887 CA ALA A 115 -9.290 -5.694 -2.356 1.00 62.15 C ATOM 1888 C ALA A 115 -9.319 -4.576 -3.402 1.00 43.34 C ATOM 1889 O ALA A 115 -8.836 -3.478 -3.152 1.00 14.22 O ATOM 1890 CB ALA A 115 -8.171 -6.673 -2.701 1.00 3.22 C ATOM 0 H ALA A 115 -10.516 -7.399 -2.454 1.00 0.34 H new ATOM 0 HA ALA A 115 -9.103 -5.252 -1.377 1.00 62.15 H new ATOM 0 HB1 ALA A 115 -7.223 -6.138 -2.752 1.00 3.22 H new ATOM 0 HB2 ALA A 115 -8.112 -7.444 -1.933 1.00 3.22 H new ATOM 0 HB3 ALA A 115 -8.378 -7.137 -3.665 1.00 3.22 H new ATOM 1896 N LYS A 116 -9.916 -4.890 -4.564 1.00 2.22 N ATOM 1897 CA LYS A 116 -9.976 -3.989 -5.736 1.00 13.01 C ATOM 1898 C LYS A 116 -10.932 -2.813 -5.501 1.00 53.34 C ATOM 1899 O LYS A 116 -10.745 -1.725 -6.062 1.00 32.52 O ATOM 1900 CB LYS A 116 -10.388 -4.817 -6.980 1.00 50.33 C ATOM 1901 CG LYS A 116 -9.422 -5.992 -7.266 1.00 43.35 C ATOM 1902 CD LYS A 116 -9.818 -6.855 -8.476 1.00 24.00 C ATOM 1903 CE LYS A 116 -9.758 -6.086 -9.798 1.00 40.43 C ATOM 1904 NZ LYS A 116 -9.963 -6.983 -10.957 1.00 61.42 N ATOM 0 H LYS A 116 -10.377 -5.786 -4.722 1.00 2.22 H new ATOM 0 HA LYS A 116 -8.991 -3.552 -5.902 1.00 13.01 H new ATOM 0 HB2 LYS A 116 -11.395 -5.208 -6.833 1.00 50.33 H new ATOM 0 HB3 LYS A 116 -10.424 -4.162 -7.851 1.00 50.33 H new ATOM 0 HG2 LYS A 116 -8.421 -5.593 -7.431 1.00 43.35 H new ATOM 0 HG3 LYS A 116 -9.370 -6.628 -6.382 1.00 43.35 H new ATOM 0 HD2 LYS A 116 -9.155 -7.719 -8.533 1.00 24.00 H new ATOM 0 HD3 LYS A 116 -10.828 -7.237 -8.329 1.00 24.00 H new ATOM 0 HE2 LYS A 116 -10.519 -5.306 -9.801 1.00 40.43 H new ATOM 0 HE3 LYS A 116 -8.792 -5.589 -9.888 1.00 40.43 H new ATOM 0 HZ1 LYS A 116 -10.203 -6.417 -11.796 1.00 61.42 H new ATOM 0 HZ2 LYS A 116 -9.091 -7.520 -11.139 1.00 61.42 H new ATOM 0 HZ3 LYS A 116 -10.739 -7.644 -10.752 1.00 61.42 H new ATOM 1918 N LYS A 117 -11.944 -3.052 -4.659 1.00 73.22 N ATOM 1919 CA LYS A 117 -12.914 -2.029 -4.244 1.00 63.35 C ATOM 1920 C LYS A 117 -12.253 -1.048 -3.259 1.00 54.23 C ATOM 1921 O LYS A 117 -12.377 0.172 -3.399 1.00 2.42 O ATOM 1922 CB LYS A 117 -14.142 -2.717 -3.601 1.00 0.32 C ATOM 1923 CG LYS A 117 -14.855 -3.718 -4.531 1.00 1.32 C ATOM 1924 CD LYS A 117 -16.076 -4.386 -3.866 1.00 62.23 C ATOM 1925 CE LYS A 117 -16.765 -5.398 -4.795 1.00 31.51 C ATOM 1926 NZ LYS A 117 -17.981 -5.988 -4.172 1.00 21.14 N ATOM 0 H LYS A 117 -12.115 -3.967 -4.243 1.00 73.22 H new ATOM 0 HA LYS A 117 -13.247 -1.463 -5.114 1.00 63.35 H new ATOM 0 HB2 LYS A 117 -13.823 -3.238 -2.699 1.00 0.32 H new ATOM 0 HB3 LYS A 117 -14.854 -1.952 -3.292 1.00 0.32 H new ATOM 0 HG2 LYS A 117 -15.177 -3.201 -5.435 1.00 1.32 H new ATOM 0 HG3 LYS A 117 -14.148 -4.488 -4.839 1.00 1.32 H new ATOM 0 HD2 LYS A 117 -15.759 -4.891 -2.954 1.00 62.23 H new ATOM 0 HD3 LYS A 117 -16.793 -3.619 -3.573 1.00 62.23 H new ATOM 0 HE2 LYS A 117 -17.038 -4.906 -5.728 1.00 31.51 H new ATOM 0 HE3 LYS A 117 -16.064 -6.194 -5.048 1.00 31.51 H new ATOM 0 HZ1 LYS A 117 -18.415 -6.665 -4.831 1.00 21.14 H new ATOM 0 HZ2 LYS A 117 -17.718 -6.480 -3.294 1.00 21.14 H new ATOM 0 HZ3 LYS A 117 -18.661 -5.232 -3.954 1.00 21.14 H new ATOM 1940 N ARG A 118 -11.522 -1.606 -2.268 1.00 43.52 N ATOM 1941 CA ARG A 118 -10.829 -0.812 -1.233 1.00 63.25 C ATOM 1942 C ARG A 118 -9.593 -0.096 -1.806 1.00 14.04 C ATOM 1943 O ARG A 118 -9.177 0.933 -1.276 1.00 13.52 O ATOM 1944 CB ARG A 118 -10.427 -1.697 -0.019 1.00 42.23 C ATOM 1945 CG ARG A 118 -11.594 -2.415 0.706 1.00 75.41 C ATOM 1946 CD ARG A 118 -12.831 -1.512 0.988 1.00 42.52 C ATOM 1947 NE ARG A 118 -13.833 -1.586 -0.096 1.00 0.12 N ATOM 1948 CZ ARG A 118 -14.724 -0.627 -0.422 1.00 22.42 C ATOM 1949 NH1 ARG A 118 -14.756 0.519 0.217 1.00 73.23 N ATOM 1950 NH2 ARG A 118 -15.622 -0.863 -1.363 1.00 3.54 N ATOM 0 H ARG A 118 -11.397 -2.613 -2.165 1.00 43.52 H new ATOM 0 HA ARG A 118 -11.530 -0.053 -0.887 1.00 63.25 H new ATOM 0 HB2 ARG A 118 -9.718 -2.451 -0.361 1.00 42.23 H new ATOM 0 HB3 ARG A 118 -9.904 -1.072 0.705 1.00 42.23 H new ATOM 0 HG2 ARG A 118 -11.911 -3.266 0.103 1.00 75.41 H new ATOM 0 HG3 ARG A 118 -11.227 -2.813 1.652 1.00 75.41 H new ATOM 0 HD2 ARG A 118 -13.292 -1.813 1.928 1.00 42.52 H new ATOM 0 HD3 ARG A 118 -12.505 -0.479 1.110 1.00 42.52 H new ATOM 0 HE ARG A 118 -13.853 -2.443 -0.650 1.00 0.12 H new ATOM 0 HH11 ARG A 118 -14.099 0.698 0.976 1.00 73.23 H new ATOM 0 HH12 ARG A 118 -15.438 1.231 -0.046 1.00 73.23 H new ATOM 0 HH21 ARG A 118 -15.638 -1.766 -1.838 1.00 3.54 H new ATOM 0 HH22 ARG A 118 -16.299 -0.142 -1.614 1.00 3.54 H new ATOM 1964 N LEU A 119 -9.022 -0.666 -2.882 1.00 22.33 N ATOM 1965 CA LEU A 119 -7.873 -0.086 -3.606 1.00 65.04 C ATOM 1966 C LEU A 119 -8.333 1.231 -4.247 1.00 70.43 C ATOM 1967 O LEU A 119 -7.733 2.288 -4.041 1.00 74.32 O ATOM 1968 CB LEU A 119 -7.354 -1.103 -4.686 1.00 65.44 C ATOM 1969 CG LEU A 119 -5.841 -1.016 -5.107 1.00 54.25 C ATOM 1970 CD1 LEU A 119 -5.471 0.328 -5.754 1.00 30.31 C ATOM 1971 CD2 LEU A 119 -4.912 -1.334 -3.912 1.00 55.00 C ATOM 0 H LEU A 119 -9.346 -1.548 -3.278 1.00 22.33 H new ATOM 0 HA LEU A 119 -7.045 0.115 -2.926 1.00 65.04 H new ATOM 0 HB2 LEU A 119 -7.541 -2.111 -4.315 1.00 65.44 H new ATOM 0 HB3 LEU A 119 -7.959 -0.977 -5.584 1.00 65.44 H new ATOM 0 HG LEU A 119 -5.692 -1.776 -5.874 1.00 54.25 H new ATOM 0 HD11 LEU A 119 -4.414 0.324 -6.022 1.00 30.31 H new ATOM 0 HD12 LEU A 119 -6.072 0.478 -6.651 1.00 30.31 H new ATOM 0 HD13 LEU A 119 -5.664 1.137 -5.049 1.00 30.31 H new ATOM 0 HD21 LEU A 119 -3.872 -1.267 -4.232 1.00 55.00 H new ATOM 0 HD22 LEU A 119 -5.092 -0.618 -3.110 1.00 55.00 H new ATOM 0 HD23 LEU A 119 -5.116 -2.342 -3.551 1.00 55.00 H new ATOM 1983 N LYS A 120 -9.444 1.125 -4.989 1.00 55.10 N ATOM 1984 CA LYS A 120 -10.101 2.254 -5.662 1.00 61.03 C ATOM 1985 C LYS A 120 -10.529 3.335 -4.657 1.00 30.43 C ATOM 1986 O LYS A 120 -10.431 4.537 -4.947 1.00 34.44 O ATOM 1987 CB LYS A 120 -11.319 1.715 -6.441 1.00 12.20 C ATOM 1988 CG LYS A 120 -12.113 2.771 -7.245 1.00 32.12 C ATOM 1989 CD LYS A 120 -13.143 2.116 -8.194 1.00 22.14 C ATOM 1990 CE LYS A 120 -12.463 1.206 -9.236 1.00 13.44 C ATOM 1991 NZ LYS A 120 -13.438 0.559 -10.146 1.00 40.23 N ATOM 0 H LYS A 120 -9.920 0.236 -5.141 1.00 55.10 H new ATOM 0 HA LYS A 120 -9.398 2.723 -6.350 1.00 61.03 H new ATOM 0 HB2 LYS A 120 -10.976 0.942 -7.129 1.00 12.20 H new ATOM 0 HB3 LYS A 120 -11.997 1.235 -5.735 1.00 12.20 H new ATOM 0 HG2 LYS A 120 -12.628 3.440 -6.556 1.00 32.12 H new ATOM 0 HG3 LYS A 120 -11.421 3.382 -7.825 1.00 32.12 H new ATOM 0 HD2 LYS A 120 -13.855 1.532 -7.611 1.00 22.14 H new ATOM 0 HD3 LYS A 120 -13.711 2.893 -8.705 1.00 22.14 H new ATOM 0 HE2 LYS A 120 -11.758 1.795 -9.823 1.00 13.44 H new ATOM 0 HE3 LYS A 120 -11.886 0.438 -8.721 1.00 13.44 H new ATOM 0 HZ1 LYS A 120 -12.931 -0.042 -10.827 1.00 40.23 H new ATOM 0 HZ2 LYS A 120 -14.096 -0.025 -9.591 1.00 40.23 H new ATOM 0 HZ3 LYS A 120 -13.972 1.289 -10.659 1.00 40.23 H new ATOM 2005 N GLU A 121 -10.970 2.874 -3.468 1.00 4.31 N ATOM 2006 CA GLU A 121 -11.378 3.742 -2.352 1.00 0.02 C ATOM 2007 C GLU A 121 -10.229 4.682 -1.924 1.00 25.34 C ATOM 2008 O GLU A 121 -10.456 5.860 -1.643 1.00 50.22 O ATOM 2009 CB GLU A 121 -11.819 2.880 -1.147 1.00 61.11 C ATOM 2010 CG GLU A 121 -12.351 3.694 0.051 1.00 34.53 C ATOM 2011 CD GLU A 121 -12.265 2.938 1.377 1.00 72.40 C ATOM 2012 OE1 GLU A 121 -11.211 3.012 2.034 1.00 51.33 O ATOM 2013 OE2 GLU A 121 -13.232 2.264 1.764 1.00 53.52 O ATOM 0 H GLU A 121 -11.052 1.879 -3.257 1.00 4.31 H new ATOM 0 HA GLU A 121 -12.214 4.354 -2.691 1.00 0.02 H new ATOM 0 HB2 GLU A 121 -12.594 2.187 -1.474 1.00 61.11 H new ATOM 0 HB3 GLU A 121 -10.973 2.278 -0.816 1.00 61.11 H new ATOM 0 HG2 GLU A 121 -11.785 4.622 0.132 1.00 34.53 H new ATOM 0 HG3 GLU A 121 -13.389 3.969 -0.137 1.00 34.53 H new ATOM 2020 N LEU A 122 -8.991 4.142 -1.902 1.00 14.12 N ATOM 2021 CA LEU A 122 -7.782 4.907 -1.522 1.00 32.13 C ATOM 2022 C LEU A 122 -7.492 5.990 -2.561 1.00 71.23 C ATOM 2023 O LEU A 122 -7.195 7.132 -2.212 1.00 64.33 O ATOM 2024 CB LEU A 122 -6.555 3.975 -1.396 1.00 2.15 C ATOM 2025 CG LEU A 122 -6.718 2.762 -0.442 1.00 71.14 C ATOM 2026 CD1 LEU A 122 -5.427 1.937 -0.385 1.00 14.41 C ATOM 2027 CD2 LEU A 122 -7.194 3.194 0.963 1.00 5.43 C ATOM 0 H LEU A 122 -8.801 3.170 -2.145 1.00 14.12 H new ATOM 0 HA LEU A 122 -7.971 5.372 -0.555 1.00 32.13 H new ATOM 0 HB2 LEU A 122 -6.305 3.600 -2.389 1.00 2.15 H new ATOM 0 HB3 LEU A 122 -5.706 4.568 -1.056 1.00 2.15 H new ATOM 0 HG LEU A 122 -7.501 2.121 -0.848 1.00 71.14 H new ATOM 0 HD11 LEU A 122 -5.565 1.092 0.290 1.00 14.41 H new ATOM 0 HD12 LEU A 122 -5.186 1.569 -1.382 1.00 14.41 H new ATOM 0 HD13 LEU A 122 -4.611 2.562 -0.022 1.00 14.41 H new ATOM 0 HD21 LEU A 122 -7.295 2.315 1.599 1.00 5.43 H new ATOM 0 HD22 LEU A 122 -6.465 3.876 1.400 1.00 5.43 H new ATOM 0 HD23 LEU A 122 -8.158 3.696 0.882 1.00 5.43 H new ATOM 2039 N LEU A 123 -7.608 5.597 -3.838 1.00 74.22 N ATOM 2040 CA LEU A 123 -7.443 6.502 -4.993 1.00 52.31 C ATOM 2041 C LEU A 123 -8.419 7.693 -4.918 1.00 41.12 C ATOM 2042 O LEU A 123 -8.110 8.783 -5.396 1.00 45.14 O ATOM 2043 CB LEU A 123 -7.628 5.711 -6.324 1.00 61.21 C ATOM 2044 CG LEU A 123 -6.357 4.986 -6.897 1.00 55.44 C ATOM 2045 CD1 LEU A 123 -5.283 6.005 -7.319 1.00 21.41 C ATOM 2046 CD2 LEU A 123 -5.776 3.935 -5.924 1.00 34.33 C ATOM 0 H LEU A 123 -7.821 4.635 -4.104 1.00 74.22 H new ATOM 0 HA LEU A 123 -6.432 6.909 -4.966 1.00 52.31 H new ATOM 0 HB2 LEU A 123 -8.406 4.963 -6.170 1.00 61.21 H new ATOM 0 HB3 LEU A 123 -7.996 6.402 -7.082 1.00 61.21 H new ATOM 0 HG LEU A 123 -6.683 4.441 -7.783 1.00 55.44 H new ATOM 0 HD11 LEU A 123 -4.414 5.477 -7.712 1.00 21.41 H new ATOM 0 HD12 LEU A 123 -5.687 6.662 -8.089 1.00 21.41 H new ATOM 0 HD13 LEU A 123 -4.986 6.599 -6.455 1.00 21.41 H new ATOM 0 HD21 LEU A 123 -4.900 3.468 -6.374 1.00 34.33 H new ATOM 0 HD22 LEU A 123 -5.489 4.422 -4.992 1.00 34.33 H new ATOM 0 HD23 LEU A 123 -6.529 3.174 -5.719 1.00 34.33 H new ATOM 2058 N GLU A 124 -9.590 7.461 -4.320 1.00 53.43 N ATOM 2059 CA GLU A 124 -10.582 8.508 -4.050 1.00 60.54 C ATOM 2060 C GLU A 124 -10.118 9.381 -2.867 1.00 45.32 C ATOM 2061 O GLU A 124 -9.986 10.592 -3.013 1.00 23.30 O ATOM 2062 CB GLU A 124 -11.958 7.860 -3.758 1.00 75.13 C ATOM 2063 CG GLU A 124 -12.529 7.049 -4.942 1.00 61.22 C ATOM 2064 CD GLU A 124 -13.798 6.266 -4.577 1.00 54.23 C ATOM 2065 OE1 GLU A 124 -14.855 6.900 -4.367 1.00 63.04 O ATOM 2066 OE2 GLU A 124 -13.752 5.022 -4.507 1.00 2.53 O ATOM 0 H GLU A 124 -9.880 6.535 -4.007 1.00 53.43 H new ATOM 0 HA GLU A 124 -10.682 9.150 -4.925 1.00 60.54 H new ATOM 0 HB2 GLU A 124 -11.864 7.204 -2.892 1.00 75.13 H new ATOM 0 HB3 GLU A 124 -12.668 8.642 -3.490 1.00 75.13 H new ATOM 0 HG2 GLU A 124 -12.752 7.727 -5.766 1.00 61.22 H new ATOM 0 HG3 GLU A 124 -11.769 6.353 -5.298 1.00 61.22 H new ATOM 2073 N LYS A 125 -9.790 8.730 -1.735 1.00 74.33 N ATOM 2074 CA LYS A 125 -9.511 9.404 -0.442 1.00 41.12 C ATOM 2075 C LYS A 125 -8.246 10.291 -0.465 1.00 4.53 C ATOM 2076 O LYS A 125 -8.163 11.252 0.300 1.00 74.42 O ATOM 2077 CB LYS A 125 -9.373 8.352 0.694 1.00 54.40 C ATOM 2078 CG LYS A 125 -10.672 7.584 1.043 1.00 61.52 C ATOM 2079 CD LYS A 125 -10.450 6.549 2.176 1.00 1.23 C ATOM 2080 CE LYS A 125 -9.956 7.192 3.488 1.00 15.35 C ATOM 2081 NZ LYS A 125 -9.702 6.180 4.541 1.00 14.44 N ATOM 0 H LYS A 125 -9.709 7.714 -1.686 1.00 74.33 H new ATOM 0 HA LYS A 125 -10.361 10.062 -0.259 1.00 41.12 H new ATOM 0 HB2 LYS A 125 -8.609 7.630 0.408 1.00 54.40 H new ATOM 0 HB3 LYS A 125 -9.015 8.855 1.592 1.00 54.40 H new ATOM 0 HG2 LYS A 125 -11.442 8.293 1.346 1.00 61.52 H new ATOM 0 HG3 LYS A 125 -11.041 7.074 0.153 1.00 61.52 H new ATOM 0 HD2 LYS A 125 -11.384 6.020 2.366 1.00 1.23 H new ATOM 0 HD3 LYS A 125 -9.724 5.806 1.846 1.00 1.23 H new ATOM 0 HE2 LYS A 125 -9.041 7.752 3.295 1.00 15.35 H new ATOM 0 HE3 LYS A 125 -10.698 7.907 3.843 1.00 15.35 H new ATOM 0 HZ1 LYS A 125 -9.953 6.575 5.470 1.00 14.44 H new ATOM 0 HZ2 LYS A 125 -10.280 5.335 4.357 1.00 14.44 H new ATOM 0 HZ3 LYS A 125 -8.695 5.919 4.536 1.00 14.44 H new ATOM 2095 N VAL A 126 -7.261 9.946 -1.310 1.00 60.22 N ATOM 2096 CA VAL A 126 -5.991 10.701 -1.405 1.00 15.21 C ATOM 2097 C VAL A 126 -6.184 11.985 -2.256 1.00 3.23 C ATOM 2098 O VAL A 126 -5.637 13.053 -1.927 1.00 24.35 O ATOM 2099 CB VAL A 126 -4.836 9.794 -1.993 1.00 14.42 C ATOM 2100 CG1 VAL A 126 -3.526 10.587 -2.165 1.00 52.44 C ATOM 2101 CG2 VAL A 126 -4.587 8.539 -1.108 1.00 44.11 C ATOM 0 H VAL A 126 -7.316 9.147 -1.941 1.00 60.22 H new ATOM 0 HA VAL A 126 -5.695 11.002 -0.400 1.00 15.21 H new ATOM 0 HB VAL A 126 -5.168 9.460 -2.976 1.00 14.42 H new ATOM 0 HG11 VAL A 126 -2.755 9.932 -2.571 1.00 52.44 H new ATOM 0 HG12 VAL A 126 -3.692 11.420 -2.849 1.00 52.44 H new ATOM 0 HG13 VAL A 126 -3.203 10.971 -1.197 1.00 52.44 H new ATOM 0 HG21 VAL A 126 -3.787 7.940 -1.543 1.00 44.11 H new ATOM 0 HG22 VAL A 126 -4.301 8.853 -0.104 1.00 44.11 H new ATOM 0 HG23 VAL A 126 -5.499 7.944 -1.056 1.00 44.11 H new