USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.058 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 155:sc= 0 (180deg=-0.984) USER MOD Single : A 34 ASN : amide:sc= 0.0971 K(o=0.097,f=-6.9!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -126:sc= -3.41! (180deg=-4.81!) USER MOD Single : A 60 THR OG1 : rot 127:sc= 0.192 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00502 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= -0.475 USER MOD Single : A 69 THR OG1 : rot 129:sc= 1.08 USER MOD Single : A 75 GLN : amide:sc= -0.32 K(o=-0.32,f=-1) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -91:sc= 0.364 USER MOD Single : A 92 ASN : amide:sc= -3.8! C(o=-3.8!,f=-8!) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 103 LYS NZ :NH3+ -122:sc= -0.247 (180deg=-0.782!) USER MOD Single : A 105 THR OG1 : rot 172:sc= 0.41 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.397 -10.212 -2.405 1.00 61.34 N ATOM 2 CA GLY A 1 22.444 -11.016 -1.603 1.00 35.54 C ATOM 3 C GLY A 1 21.516 -11.837 -2.480 1.00 71.15 C ATOM 4 O GLY A 1 21.847 -12.115 -3.636 1.00 0.43 O ATOM 0 H1 GLY A 1 24.363 -10.363 -2.050 1.00 61.34 H new ATOM 0 H2 GLY A 1 23.345 -10.504 -3.402 1.00 61.34 H new ATOM 0 H3 GLY A 1 23.153 -9.204 -2.327 1.00 61.34 H new ATOM 0 HA2 GLY A 1 22.998 -11.680 -0.940 1.00 35.54 H new ATOM 0 HA3 GLY A 1 21.853 -10.354 -0.970 1.00 35.54 H new ATOM 10 N PRO A 2 20.343 -12.250 -1.959 1.00 2.01 N ATOM 11 CA PRO A 2 19.355 -13.013 -2.737 1.00 32.32 C ATOM 12 C PRO A 2 18.807 -12.192 -3.904 1.00 52.21 C ATOM 13 O PRO A 2 18.433 -12.737 -4.945 1.00 72.30 O ATOM 14 CB PRO A 2 18.243 -13.329 -1.718 1.00 72.50 C ATOM 15 CG PRO A 2 18.866 -13.104 -0.378 1.00 65.21 C ATOM 16 CD PRO A 2 19.888 -12.020 -0.577 1.00 54.32 C ATOM 0 HA PRO A 2 19.785 -13.908 -3.186 1.00 32.32 H new ATOM 0 HB2 PRO A 2 17.379 -12.681 -1.864 1.00 72.50 H new ATOM 0 HB3 PRO A 2 17.893 -14.356 -1.822 1.00 72.50 H new ATOM 0 HG2 PRO A 2 18.117 -12.805 0.356 1.00 65.21 H new ATOM 0 HG3 PRO A 2 19.332 -14.016 -0.005 1.00 65.21 H new ATOM 0 HD2 PRO A 2 19.454 -11.028 -0.454 1.00 54.32 H new ATOM 0 HD3 PRO A 2 20.707 -12.101 0.137 1.00 54.32 H new ATOM 24 N GLY A 3 18.780 -10.878 -3.718 1.00 3.42 N ATOM 25 CA GLY A 3 18.297 -9.977 -4.744 1.00 42.51 C ATOM 26 C GLY A 3 17.750 -8.697 -4.151 1.00 45.25 C ATOM 27 O GLY A 3 18.494 -7.921 -3.549 1.00 43.32 O ATOM 0 H GLY A 3 19.089 -10.417 -2.862 1.00 3.42 H new ATOM 0 HA2 GLY A 3 19.108 -9.742 -5.433 1.00 42.51 H new ATOM 0 HA3 GLY A 3 17.518 -10.471 -5.325 1.00 42.51 H new ATOM 31 N SER A 4 16.447 -8.489 -4.298 1.00 54.14 N ATOM 32 CA SER A 4 15.782 -7.299 -3.781 1.00 4.10 C ATOM 33 C SER A 4 14.265 -7.500 -3.816 1.00 15.10 C ATOM 34 O SER A 4 13.784 -8.502 -4.349 1.00 3.42 O ATOM 35 CB SER A 4 16.188 -6.069 -4.607 1.00 55.03 C ATOM 36 OG SER A 4 16.055 -6.320 -5.999 1.00 34.44 O ATOM 0 H SER A 4 15.823 -9.138 -4.777 1.00 54.14 H new ATOM 0 HA SER A 4 16.088 -7.133 -2.748 1.00 4.10 H new ATOM 0 HB2 SER A 4 15.567 -5.218 -4.327 1.00 55.03 H new ATOM 0 HB3 SER A 4 17.219 -5.799 -4.380 1.00 55.03 H new ATOM 0 HG SER A 4 16.318 -5.521 -6.502 1.00 34.44 H new ATOM 42 N MET A 5 13.517 -6.562 -3.241 1.00 33.25 N ATOM 43 CA MET A 5 12.056 -6.637 -3.258 1.00 24.23 C ATOM 44 C MET A 5 11.534 -6.380 -4.672 1.00 70.32 C ATOM 45 O MET A 5 12.089 -5.558 -5.410 1.00 64.44 O ATOM 46 CB MET A 5 11.439 -5.636 -2.267 1.00 20.34 C ATOM 47 CG MET A 5 11.743 -4.175 -2.576 1.00 74.44 C ATOM 48 SD MET A 5 13.504 -3.785 -2.451 1.00 21.44 S ATOM 49 CE MET A 5 13.504 -2.061 -2.941 1.00 31.11 C ATOM 0 H MET A 5 13.894 -5.745 -2.760 1.00 33.25 H new ATOM 0 HA MET A 5 11.761 -7.640 -2.948 1.00 24.23 H new ATOM 0 HB2 MET A 5 10.358 -5.775 -2.255 1.00 20.34 H new ATOM 0 HB3 MET A 5 11.801 -5.866 -1.265 1.00 20.34 H new ATOM 0 HG2 MET A 5 11.394 -3.941 -3.582 1.00 74.44 H new ATOM 0 HG3 MET A 5 11.185 -3.539 -1.889 1.00 74.44 H new ATOM 0 HE1 MET A 5 14.523 -1.675 -2.914 1.00 31.11 H new ATOM 0 HE2 MET A 5 13.108 -1.970 -3.952 1.00 31.11 H new ATOM 0 HE3 MET A 5 12.881 -1.488 -2.255 1.00 31.11 H new ATOM 59 N SER A 6 10.487 -7.099 -5.049 1.00 32.42 N ATOM 60 CA SER A 6 9.884 -6.957 -6.364 1.00 53.32 C ATOM 61 C SER A 6 8.380 -7.179 -6.253 1.00 45.23 C ATOM 62 O SER A 6 7.888 -8.308 -6.362 1.00 61.10 O ATOM 63 CB SER A 6 10.514 -7.944 -7.360 1.00 50.41 C ATOM 64 OG SER A 6 10.093 -7.679 -8.692 1.00 25.51 O ATOM 0 H SER A 6 10.034 -7.793 -4.455 1.00 32.42 H new ATOM 0 HA SER A 6 10.068 -5.950 -6.739 1.00 53.32 H new ATOM 0 HB2 SER A 6 11.600 -7.879 -7.301 1.00 50.41 H new ATOM 0 HB3 SER A 6 10.240 -8.963 -7.087 1.00 50.41 H new ATOM 0 HG SER A 6 10.512 -8.322 -9.301 1.00 25.51 H new ATOM 70 N GLU A 7 7.671 -6.098 -5.975 1.00 4.31 N ATOM 71 CA GLU A 7 6.224 -6.124 -5.811 1.00 24.42 C ATOM 72 C GLU A 7 5.557 -6.582 -7.109 1.00 4.43 C ATOM 73 O GLU A 7 5.433 -5.816 -8.064 1.00 32.01 O ATOM 74 CB GLU A 7 5.730 -4.733 -5.377 1.00 10.22 C ATOM 75 CG GLU A 7 6.146 -4.341 -3.949 1.00 40.33 C ATOM 76 CD GLU A 7 7.602 -4.665 -3.620 1.00 60.35 C ATOM 77 OE1 GLU A 7 7.846 -5.565 -2.787 1.00 14.14 O ATOM 78 OE2 GLU A 7 8.506 -4.046 -4.222 1.00 74.12 O ATOM 0 H GLU A 7 8.083 -5.173 -5.856 1.00 4.31 H new ATOM 0 HA GLU A 7 5.953 -6.837 -5.033 1.00 24.42 H new ATOM 0 HB2 GLU A 7 6.114 -3.988 -6.074 1.00 10.22 H new ATOM 0 HB3 GLU A 7 4.643 -4.706 -5.448 1.00 10.22 H new ATOM 0 HG2 GLU A 7 5.982 -3.272 -3.813 1.00 40.33 H new ATOM 0 HG3 GLU A 7 5.499 -4.856 -3.238 1.00 40.33 H new ATOM 85 N THR A 8 5.158 -7.853 -7.129 1.00 63.22 N ATOM 86 CA THR A 8 4.655 -8.507 -8.334 1.00 52.41 C ATOM 87 C THR A 8 3.437 -7.787 -8.940 1.00 53.43 C ATOM 88 O THR A 8 2.288 -8.047 -8.574 1.00 42.13 O ATOM 89 CB THR A 8 4.326 -10.000 -8.051 1.00 14.25 C ATOM 90 OG1 THR A 8 3.738 -10.616 -9.207 1.00 1.24 O ATOM 91 CG2 THR A 8 3.396 -10.157 -6.851 1.00 21.21 C ATOM 0 H THR A 8 5.175 -8.458 -6.308 1.00 63.22 H new ATOM 0 HA THR A 8 5.452 -8.453 -9.076 1.00 52.41 H new ATOM 0 HB THR A 8 5.266 -10.499 -7.817 1.00 14.25 H new ATOM 0 HG1 THR A 8 3.539 -11.555 -9.011 1.00 1.24 H new ATOM 0 HG21 THR A 8 3.190 -11.215 -6.686 1.00 21.21 H new ATOM 0 HG22 THR A 8 3.872 -9.737 -5.965 1.00 21.21 H new ATOM 0 HG23 THR A 8 2.461 -9.631 -7.044 1.00 21.21 H new ATOM 99 N SER A 9 3.712 -6.870 -9.862 1.00 33.40 N ATOM 100 CA SER A 9 2.679 -6.184 -10.629 1.00 5.15 C ATOM 101 C SER A 9 3.335 -5.457 -11.801 1.00 10.02 C ATOM 102 O SER A 9 4.364 -4.805 -11.620 1.00 61.11 O ATOM 103 CB SER A 9 1.904 -5.200 -9.736 1.00 70.22 C ATOM 104 OG SER A 9 0.793 -4.641 -10.418 1.00 11.02 O ATOM 0 H SER A 9 4.661 -6.581 -10.099 1.00 33.40 H new ATOM 0 HA SER A 9 1.964 -6.912 -11.012 1.00 5.15 H new ATOM 0 HB2 SER A 9 1.560 -5.715 -8.839 1.00 70.22 H new ATOM 0 HB3 SER A 9 2.570 -4.402 -9.409 1.00 70.22 H new ATOM 0 HG SER A 9 0.321 -4.022 -9.823 1.00 11.02 H new ATOM 110 N ALA A 10 2.758 -5.603 -13.000 1.00 40.41 N ATOM 111 CA ALA A 10 3.306 -4.997 -14.222 1.00 43.51 C ATOM 112 C ALA A 10 4.585 -5.726 -14.667 1.00 12.21 C ATOM 113 O ALA A 10 5.173 -6.486 -13.891 1.00 3.13 O ATOM 114 CB ALA A 10 3.565 -3.501 -14.013 1.00 24.10 C ATOM 0 H ALA A 10 1.904 -6.140 -13.151 1.00 40.41 H new ATOM 0 HA ALA A 10 2.569 -5.102 -15.018 1.00 43.51 H new ATOM 0 HB1 ALA A 10 3.970 -3.071 -14.929 1.00 24.10 H new ATOM 0 HB2 ALA A 10 2.630 -3.002 -13.760 1.00 24.10 H new ATOM 0 HB3 ALA A 10 4.279 -3.365 -13.201 1.00 24.10 H new ATOM 120 N PRO A 11 5.009 -5.550 -15.938 1.00 40.34 N ATOM 121 CA PRO A 11 6.246 -6.160 -16.452 1.00 54.24 C ATOM 122 C PRO A 11 7.486 -5.643 -15.718 1.00 2.50 C ATOM 123 O PRO A 11 7.502 -4.508 -15.239 1.00 31.13 O ATOM 124 CB PRO A 11 6.269 -5.749 -17.932 1.00 52.21 C ATOM 125 CG PRO A 11 5.389 -4.550 -18.008 1.00 25.50 C ATOM 126 CD PRO A 11 4.316 -4.764 -16.980 1.00 30.05 C ATOM 0 HA PRO A 11 6.262 -7.240 -16.309 1.00 54.24 H new ATOM 0 HB2 PRO A 11 7.282 -5.518 -18.263 1.00 52.21 H new ATOM 0 HB3 PRO A 11 5.900 -6.551 -18.571 1.00 52.21 H new ATOM 0 HG2 PRO A 11 5.951 -3.639 -17.803 1.00 25.50 H new ATOM 0 HG3 PRO A 11 4.960 -4.442 -19.004 1.00 25.50 H new ATOM 0 HD2 PRO A 11 3.937 -3.820 -16.589 1.00 30.05 H new ATOM 0 HD3 PRO A 11 3.463 -5.303 -17.392 1.00 30.05 H new ATOM 134 N ALA A 12 8.526 -6.473 -15.666 1.00 72.54 N ATOM 135 CA ALA A 12 9.721 -6.204 -14.861 1.00 62.51 C ATOM 136 C ALA A 12 10.315 -4.816 -15.119 1.00 64.02 C ATOM 137 O ALA A 12 10.614 -4.082 -14.175 1.00 34.20 O ATOM 138 CB ALA A 12 10.773 -7.279 -15.114 1.00 14.22 C ATOM 0 H ALA A 12 8.566 -7.353 -16.181 1.00 72.54 H new ATOM 0 HA ALA A 12 9.411 -6.225 -13.816 1.00 62.51 H new ATOM 0 HB1 ALA A 12 11.658 -7.071 -14.512 1.00 14.22 H new ATOM 0 HB2 ALA A 12 10.369 -8.254 -14.842 1.00 14.22 H new ATOM 0 HB3 ALA A 12 11.045 -7.281 -16.170 1.00 14.22 H new ATOM 144 N GLU A 13 10.480 -4.458 -16.392 1.00 31.52 N ATOM 145 CA GLU A 13 11.140 -3.203 -16.755 1.00 62.44 C ATOM 146 C GLU A 13 10.415 -1.997 -16.157 1.00 63.33 C ATOM 147 O GLU A 13 11.048 -1.099 -15.592 1.00 41.02 O ATOM 148 CB GLU A 13 11.251 -3.060 -18.278 1.00 61.12 C ATOM 149 CG GLU A 13 12.039 -4.189 -18.936 1.00 44.15 C ATOM 150 CD GLU A 13 12.556 -3.824 -20.316 1.00 3.32 C ATOM 151 OE1 GLU A 13 11.848 -4.071 -21.317 1.00 52.22 O ATOM 152 OE2 GLU A 13 13.684 -3.286 -20.405 1.00 11.34 O ATOM 0 H GLU A 13 10.168 -5.016 -17.187 1.00 31.52 H new ATOM 0 HA GLU A 13 12.146 -3.232 -16.337 1.00 62.44 H new ATOM 0 HB2 GLU A 13 10.249 -3.028 -18.707 1.00 61.12 H new ATOM 0 HB3 GLU A 13 11.729 -2.109 -18.513 1.00 61.12 H new ATOM 0 HG2 GLU A 13 12.881 -4.457 -18.298 1.00 44.15 H new ATOM 0 HG3 GLU A 13 11.404 -5.071 -19.013 1.00 44.15 H new ATOM 159 N GLU A 14 9.091 -1.983 -16.281 1.00 11.31 N ATOM 160 CA GLU A 14 8.278 -0.910 -15.710 1.00 52.40 C ATOM 161 C GLU A 14 8.231 -1.033 -14.193 1.00 24.04 C ATOM 162 O GLU A 14 8.377 -0.045 -13.473 1.00 31.32 O ATOM 163 CB GLU A 14 6.857 -0.950 -16.289 1.00 14.32 C ATOM 164 CG GLU A 14 6.788 -0.588 -17.767 1.00 30.21 C ATOM 165 CD GLU A 14 5.398 -0.773 -18.354 1.00 31.33 C ATOM 166 OE1 GLU A 14 5.235 -1.620 -19.255 1.00 2.23 O ATOM 167 OE2 GLU A 14 4.461 -0.076 -17.908 1.00 52.13 O ATOM 0 H GLU A 14 8.557 -2.701 -16.771 1.00 11.31 H new ATOM 0 HA GLU A 14 8.733 0.046 -15.970 1.00 52.40 H new ATOM 0 HB2 GLU A 14 6.445 -1.949 -16.149 1.00 14.32 H new ATOM 0 HB3 GLU A 14 6.225 -0.263 -15.726 1.00 14.32 H new ATOM 0 HG2 GLU A 14 7.097 0.449 -17.897 1.00 30.21 H new ATOM 0 HG3 GLU A 14 7.496 -1.204 -18.321 1.00 30.21 H new ATOM 174 N LEU A 15 8.083 -2.269 -13.725 1.00 1.13 N ATOM 175 CA LEU A 15 7.945 -2.564 -12.301 1.00 43.23 C ATOM 176 C LEU A 15 9.113 -1.951 -11.535 1.00 21.25 C ATOM 177 O LEU A 15 8.923 -1.323 -10.498 1.00 55.32 O ATOM 178 CB LEU A 15 7.901 -4.095 -12.100 1.00 41.13 C ATOM 179 CG LEU A 15 7.323 -4.615 -10.762 1.00 1.34 C ATOM 180 CD1 LEU A 15 7.224 -6.139 -10.790 1.00 72.05 C ATOM 181 CD2 LEU A 15 8.154 -4.165 -9.561 1.00 2.15 C ATOM 0 H LEU A 15 8.055 -3.095 -14.322 1.00 1.13 H new ATOM 0 HA LEU A 15 7.019 -2.133 -11.920 1.00 43.23 H new ATOM 0 HB2 LEU A 15 7.315 -4.526 -12.912 1.00 41.13 H new ATOM 0 HB3 LEU A 15 8.916 -4.479 -12.202 1.00 41.13 H new ATOM 0 HG LEU A 15 6.327 -4.186 -10.649 1.00 1.34 H new ATOM 0 HD11 LEU A 15 6.816 -6.495 -9.844 1.00 72.05 H new ATOM 0 HD12 LEU A 15 6.569 -6.446 -11.606 1.00 72.05 H new ATOM 0 HD13 LEU A 15 8.216 -6.565 -10.941 1.00 72.05 H new ATOM 0 HD21 LEU A 15 7.710 -4.554 -8.645 1.00 2.15 H new ATOM 0 HD22 LEU A 15 9.171 -4.544 -9.660 1.00 2.15 H new ATOM 0 HD23 LEU A 15 8.175 -3.076 -9.520 1.00 2.15 H new ATOM 193 N LEU A 16 10.317 -2.128 -12.073 1.00 32.02 N ATOM 194 CA LEU A 16 11.530 -1.613 -11.449 1.00 15.52 C ATOM 195 C LEU A 16 11.404 -0.110 -11.178 1.00 34.04 C ATOM 196 O LEU A 16 11.462 0.328 -10.032 1.00 73.24 O ATOM 197 CB LEU A 16 12.747 -1.893 -12.344 1.00 64.24 C ATOM 198 CG LEU A 16 14.108 -1.482 -11.755 1.00 3.52 C ATOM 199 CD1 LEU A 16 14.404 -2.269 -10.479 1.00 65.22 C ATOM 200 CD2 LEU A 16 15.220 -1.674 -12.786 1.00 62.50 C ATOM 0 H LEU A 16 10.478 -2.629 -12.947 1.00 32.02 H new ATOM 0 HA LEU A 16 11.670 -2.122 -10.496 1.00 15.52 H new ATOM 0 HB2 LEU A 16 12.774 -2.959 -12.568 1.00 64.24 H new ATOM 0 HB3 LEU A 16 12.608 -1.372 -13.291 1.00 64.24 H new ATOM 0 HG LEU A 16 14.065 -0.424 -11.496 1.00 3.52 H new ATOM 0 HD11 LEU A 16 15.371 -1.963 -10.079 1.00 65.22 H new ATOM 0 HD12 LEU A 16 13.627 -2.071 -9.741 1.00 65.22 H new ATOM 0 HD13 LEU A 16 14.426 -3.335 -10.706 1.00 65.22 H new ATOM 0 HD21 LEU A 16 16.175 -1.378 -12.351 1.00 62.50 H new ATOM 0 HD22 LEU A 16 15.265 -2.722 -13.081 1.00 62.50 H new ATOM 0 HD23 LEU A 16 15.014 -1.059 -13.662 1.00 62.50 H new ATOM 212 N ALA A 17 11.194 0.666 -12.237 1.00 44.44 N ATOM 213 CA ALA A 17 11.104 2.120 -12.120 1.00 14.32 C ATOM 214 C ALA A 17 9.946 2.529 -11.208 1.00 23.14 C ATOM 215 O ALA A 17 10.128 3.294 -10.243 1.00 63.35 O ATOM 216 CB ALA A 17 10.942 2.750 -13.503 1.00 14.33 C ATOM 0 H ALA A 17 11.083 0.313 -13.187 1.00 44.44 H new ATOM 0 HA ALA A 17 12.028 2.484 -11.672 1.00 14.32 H new ATOM 0 HB1 ALA A 17 10.876 3.833 -13.404 1.00 14.33 H new ATOM 0 HB2 ALA A 17 11.802 2.494 -14.122 1.00 14.33 H new ATOM 0 HB3 ALA A 17 10.033 2.372 -13.971 1.00 14.33 H new ATOM 222 N ASP A 18 8.765 1.992 -11.509 1.00 14.33 N ATOM 223 CA ASP A 18 7.541 2.342 -10.793 1.00 34.23 C ATOM 224 C ASP A 18 7.682 2.062 -9.303 1.00 2.42 C ATOM 225 O ASP A 18 7.310 2.889 -8.467 1.00 42.43 O ATOM 226 CB ASP A 18 6.332 1.574 -11.363 1.00 42.13 C ATOM 227 CG ASP A 18 5.876 2.106 -12.720 1.00 33.25 C ATOM 228 OD1 ASP A 18 5.481 3.292 -12.798 1.00 14.31 O ATOM 229 OD2 ASP A 18 5.893 1.343 -13.714 1.00 32.01 O ATOM 0 H ASP A 18 8.630 1.306 -12.252 1.00 14.33 H new ATOM 0 HA ASP A 18 7.371 3.410 -10.930 1.00 34.23 H new ATOM 0 HB2 ASP A 18 6.591 0.520 -11.460 1.00 42.13 H new ATOM 0 HB3 ASP A 18 5.504 1.635 -10.657 1.00 42.13 H new ATOM 234 N VAL A 19 8.242 0.907 -8.962 1.00 35.04 N ATOM 235 CA VAL A 19 8.375 0.528 -7.563 1.00 23.44 C ATOM 236 C VAL A 19 9.463 1.353 -6.878 1.00 24.13 C ATOM 237 O VAL A 19 9.296 1.759 -5.732 1.00 52.04 O ATOM 238 CB VAL A 19 8.657 -0.989 -7.366 1.00 2.33 C ATOM 239 CG1 VAL A 19 10.109 -1.350 -7.686 1.00 61.14 C ATOM 240 CG2 VAL A 19 8.292 -1.419 -5.948 1.00 43.12 C ATOM 0 H VAL A 19 8.607 0.225 -9.627 1.00 35.04 H new ATOM 0 HA VAL A 19 7.411 0.738 -7.099 1.00 23.44 H new ATOM 0 HB VAL A 19 8.029 -1.533 -8.071 1.00 2.33 H new ATOM 0 HG11 VAL A 19 10.260 -2.419 -7.535 1.00 61.14 H new ATOM 0 HG12 VAL A 19 10.327 -1.096 -8.723 1.00 61.14 H new ATOM 0 HG13 VAL A 19 10.776 -0.793 -7.028 1.00 61.14 H new ATOM 0 HG21 VAL A 19 8.495 -2.483 -5.827 1.00 43.12 H new ATOM 0 HG22 VAL A 19 8.886 -0.852 -5.232 1.00 43.12 H new ATOM 0 HG23 VAL A 19 7.233 -1.230 -5.772 1.00 43.12 H new ATOM 250 N GLU A 20 10.565 1.627 -7.588 1.00 25.20 N ATOM 251 CA GLU A 20 11.661 2.401 -7.007 1.00 31.11 C ATOM 252 C GLU A 20 11.185 3.792 -6.613 1.00 35.35 C ATOM 253 O GLU A 20 11.517 4.282 -5.531 1.00 72.42 O ATOM 254 CB GLU A 20 12.860 2.518 -7.960 1.00 34.33 C ATOM 255 CG GLU A 20 13.633 1.217 -8.153 1.00 43.21 C ATOM 256 CD GLU A 20 14.979 1.431 -8.830 1.00 62.44 C ATOM 257 OE1 GLU A 20 15.015 2.017 -9.934 1.00 44.01 O ATOM 258 OE2 GLU A 20 16.011 1.016 -8.258 1.00 42.55 O ATOM 0 H GLU A 20 10.717 1.328 -8.551 1.00 25.20 H new ATOM 0 HA GLU A 20 11.991 1.862 -6.119 1.00 31.11 H new ATOM 0 HB2 GLU A 20 12.506 2.865 -8.931 1.00 34.33 H new ATOM 0 HB3 GLU A 20 13.541 3.279 -7.578 1.00 34.33 H new ATOM 0 HG2 GLU A 20 13.789 0.744 -7.183 1.00 43.21 H new ATOM 0 HG3 GLU A 20 13.035 0.529 -8.751 1.00 43.21 H new ATOM 265 N GLU A 21 10.412 4.437 -7.483 1.00 23.50 N ATOM 266 CA GLU A 21 9.885 5.758 -7.160 1.00 45.11 C ATOM 267 C GLU A 21 8.809 5.651 -6.073 1.00 50.01 C ATOM 268 O GLU A 21 8.806 6.422 -5.116 1.00 61.35 O ATOM 269 CB GLU A 21 9.341 6.467 -8.405 1.00 73.23 C ATOM 270 CG GLU A 21 8.159 5.773 -9.068 1.00 4.33 C ATOM 271 CD GLU A 21 7.647 6.538 -10.273 1.00 22.54 C ATOM 272 OE1 GLU A 21 7.903 6.108 -11.417 1.00 31.43 O ATOM 273 OE2 GLU A 21 7.005 7.589 -10.081 1.00 34.41 O ATOM 0 H GLU A 21 10.142 4.076 -8.398 1.00 23.50 H new ATOM 0 HA GLU A 21 10.706 6.364 -6.776 1.00 45.11 H new ATOM 0 HB2 GLU A 21 9.043 7.478 -8.129 1.00 73.23 H new ATOM 0 HB3 GLU A 21 10.146 6.560 -9.134 1.00 73.23 H new ATOM 0 HG2 GLU A 21 8.455 4.770 -9.376 1.00 4.33 H new ATOM 0 HG3 GLU A 21 7.353 5.659 -8.343 1.00 4.33 H new ATOM 280 N ALA A 22 7.919 4.667 -6.208 1.00 73.21 N ATOM 281 CA ALA A 22 6.859 4.446 -5.224 1.00 51.42 C ATOM 282 C ALA A 22 7.445 4.196 -3.833 1.00 22.53 C ATOM 283 O ALA A 22 6.889 4.630 -2.827 1.00 24.02 O ATOM 284 CB ALA A 22 5.972 3.278 -5.646 1.00 54.45 C ATOM 0 H ALA A 22 7.911 4.011 -6.989 1.00 73.21 H new ATOM 0 HA ALA A 22 6.249 5.348 -5.178 1.00 51.42 H new ATOM 0 HB1 ALA A 22 5.189 3.128 -4.902 1.00 54.45 H new ATOM 0 HB2 ALA A 22 5.517 3.497 -6.612 1.00 54.45 H new ATOM 0 HB3 ALA A 22 6.575 2.373 -5.725 1.00 54.45 H new ATOM 290 N MET A 23 8.589 3.513 -3.799 1.00 10.11 N ATOM 291 CA MET A 23 9.278 3.178 -2.549 1.00 20.22 C ATOM 292 C MET A 23 9.720 4.428 -1.788 1.00 74.24 C ATOM 293 O MET A 23 10.151 4.335 -0.647 1.00 33.15 O ATOM 294 CB MET A 23 10.486 2.254 -2.812 1.00 22.25 C ATOM 295 CG MET A 23 10.108 0.787 -2.994 1.00 31.41 C ATOM 296 SD MET A 23 9.433 0.057 -1.489 1.00 64.21 S ATOM 297 CE MET A 23 9.027 -1.591 -2.066 1.00 45.14 C ATOM 0 H MET A 23 9.065 3.176 -4.635 1.00 10.11 H new ATOM 0 HA MET A 23 8.562 2.645 -1.924 1.00 20.22 H new ATOM 0 HB2 MET A 23 11.008 2.599 -3.704 1.00 22.25 H new ATOM 0 HB3 MET A 23 11.185 2.339 -1.980 1.00 22.25 H new ATOM 0 HG2 MET A 23 9.375 0.701 -3.796 1.00 31.41 H new ATOM 0 HG3 MET A 23 10.988 0.224 -3.304 1.00 31.41 H new ATOM 0 HE1 MET A 23 9.027 -2.282 -1.223 1.00 45.14 H new ATOM 0 HE2 MET A 23 8.040 -1.582 -2.528 1.00 45.14 H new ATOM 0 HE3 MET A 23 9.767 -1.913 -2.799 1.00 45.14 H new ATOM 307 N ARG A 24 9.668 5.581 -2.442 1.00 23.01 N ATOM 308 CA ARG A 24 9.978 6.856 -1.790 1.00 52.41 C ATOM 309 C ARG A 24 8.872 7.267 -0.817 1.00 12.23 C ATOM 310 O ARG A 24 9.145 7.887 0.212 1.00 11.11 O ATOM 311 CB ARG A 24 10.158 7.940 -2.858 1.00 31.43 C ATOM 312 CG ARG A 24 10.280 9.360 -2.310 1.00 10.13 C ATOM 313 CD ARG A 24 10.052 10.388 -3.409 1.00 71.21 C ATOM 314 NE ARG A 24 8.757 10.187 -4.067 1.00 51.14 N ATOM 315 CZ ARG A 24 8.577 10.126 -5.387 1.00 31.25 C ATOM 316 NH1 ARG A 24 9.596 10.311 -6.219 1.00 64.10 N ATOM 317 NH2 ARG A 24 7.370 9.878 -5.872 1.00 4.31 N ATOM 0 H ARG A 24 9.414 5.664 -3.426 1.00 23.01 H new ATOM 0 HA ARG A 24 10.899 6.737 -1.220 1.00 52.41 H new ATOM 0 HB2 ARG A 24 11.050 7.712 -3.441 1.00 31.43 H new ATOM 0 HB3 ARG A 24 9.311 7.901 -3.543 1.00 31.43 H new ATOM 0 HG2 ARG A 24 9.554 9.509 -1.511 1.00 10.13 H new ATOM 0 HG3 ARG A 24 11.269 9.502 -1.873 1.00 10.13 H new ATOM 0 HD2 ARG A 24 10.095 11.392 -2.986 1.00 71.21 H new ATOM 0 HD3 ARG A 24 10.852 10.318 -4.146 1.00 71.21 H new ATOM 0 HE ARG A 24 7.935 10.087 -3.472 1.00 51.14 H new ATOM 0 HH11 ARG A 24 10.528 10.502 -5.850 1.00 64.10 H new ATOM 0 HH12 ARG A 24 9.447 10.262 -7.227 1.00 64.10 H new ATOM 0 HH21 ARG A 24 6.585 9.735 -5.237 1.00 4.31 H new ATOM 0 HH22 ARG A 24 7.226 9.830 -6.881 1.00 4.31 H new ATOM 331 N ASP A 25 7.627 6.901 -1.126 1.00 53.41 N ATOM 332 CA ASP A 25 6.476 7.402 -0.369 1.00 44.34 C ATOM 333 C ASP A 25 5.795 6.246 0.345 1.00 53.24 C ATOM 334 O ASP A 25 5.170 6.407 1.393 1.00 54.55 O ATOM 335 CB ASP A 25 5.476 8.101 -1.308 1.00 25.14 C ATOM 336 CG ASP A 25 6.090 9.264 -2.084 1.00 2.40 C ATOM 337 OD1 ASP A 25 6.120 9.209 -3.338 1.00 42.21 O ATOM 338 OD2 ASP A 25 6.556 10.231 -1.447 1.00 14.22 O ATOM 0 H ASP A 25 7.390 6.265 -1.888 1.00 53.41 H new ATOM 0 HA ASP A 25 6.826 8.127 0.366 1.00 44.34 H new ATOM 0 HB2 ASP A 25 5.079 7.371 -2.014 1.00 25.14 H new ATOM 0 HB3 ASP A 25 4.633 8.468 -0.722 1.00 25.14 H new ATOM 343 N VAL A 26 5.945 5.074 -0.241 1.00 21.31 N ATOM 344 CA VAL A 26 5.410 3.846 0.283 1.00 4.11 C ATOM 345 C VAL A 26 6.445 3.190 1.210 1.00 43.42 C ATOM 346 O VAL A 26 6.851 2.039 1.026 1.00 24.20 O ATOM 347 CB VAL A 26 5.042 2.923 -0.905 1.00 20.02 C ATOM 348 CG1 VAL A 26 4.472 1.612 -0.425 1.00 54.13 C ATOM 349 CG2 VAL A 26 4.064 3.624 -1.849 1.00 73.12 C ATOM 0 H VAL A 26 6.456 4.953 -1.116 1.00 21.31 H new ATOM 0 HA VAL A 26 4.511 4.034 0.870 1.00 4.11 H new ATOM 0 HB VAL A 26 5.958 2.706 -1.455 1.00 20.02 H new ATOM 0 HG11 VAL A 26 4.224 0.987 -1.283 1.00 54.13 H new ATOM 0 HG12 VAL A 26 5.208 1.101 0.196 1.00 54.13 H new ATOM 0 HG13 VAL A 26 3.571 1.799 0.160 1.00 54.13 H new ATOM 0 HG21 VAL A 26 3.818 2.959 -2.677 1.00 73.12 H new ATOM 0 HG22 VAL A 26 3.154 3.880 -1.306 1.00 73.12 H new ATOM 0 HG23 VAL A 26 4.522 4.533 -2.238 1.00 73.12 H new ATOM 359 N VAL A 27 6.880 3.957 2.205 1.00 74.32 N ATOM 360 CA VAL A 27 7.913 3.514 3.137 1.00 21.14 C ATOM 361 C VAL A 27 8.066 4.540 4.256 1.00 21.12 C ATOM 362 O VAL A 27 7.488 5.626 4.187 1.00 14.25 O ATOM 363 CB VAL A 27 9.281 3.352 2.411 1.00 52.21 C ATOM 364 CG1 VAL A 27 9.922 4.712 2.147 1.00 53.34 C ATOM 365 CG2 VAL A 27 10.233 2.450 3.190 1.00 24.24 C ATOM 0 H VAL A 27 6.529 4.897 2.388 1.00 74.32 H new ATOM 0 HA VAL A 27 7.613 2.550 3.548 1.00 21.14 H new ATOM 0 HB VAL A 27 9.084 2.871 1.453 1.00 52.21 H new ATOM 0 HG11 VAL A 27 10.876 4.572 1.639 1.00 53.34 H new ATOM 0 HG12 VAL A 27 9.261 5.310 1.519 1.00 53.34 H new ATOM 0 HG13 VAL A 27 10.087 5.226 3.094 1.00 53.34 H new ATOM 0 HG21 VAL A 27 11.176 2.363 2.650 1.00 24.24 H new ATOM 0 HG22 VAL A 27 10.417 2.880 4.175 1.00 24.24 H new ATOM 0 HG23 VAL A 27 9.787 1.462 3.303 1.00 24.24 H new ATOM 375 N ASP A 28 8.833 4.195 5.284 1.00 52.44 N ATOM 376 CA ASP A 28 9.245 5.164 6.289 1.00 33.24 C ATOM 377 C ASP A 28 10.743 5.418 6.153 1.00 33.11 C ATOM 378 O ASP A 28 11.558 4.684 6.716 1.00 12.24 O ATOM 379 CB ASP A 28 8.921 4.675 7.705 1.00 24.33 C ATOM 380 CG ASP A 28 9.416 5.651 8.767 1.00 23.50 C ATOM 381 OD1 ASP A 28 8.741 6.679 8.996 1.00 35.01 O ATOM 382 OD2 ASP A 28 10.492 5.406 9.352 1.00 54.41 O ATOM 0 H ASP A 28 9.182 3.250 5.442 1.00 52.44 H new ATOM 0 HA ASP A 28 8.693 6.090 6.126 1.00 33.24 H new ATOM 0 HB2 ASP A 28 7.844 4.543 7.806 1.00 24.33 H new ATOM 0 HB3 ASP A 28 9.379 3.699 7.866 1.00 24.33 H new ATOM 387 N PRO A 29 11.134 6.435 5.363 1.00 61.31 N ATOM 388 CA PRO A 29 12.538 6.765 5.157 1.00 5.10 C ATOM 389 C PRO A 29 13.091 7.637 6.286 1.00 44.45 C ATOM 390 O PRO A 29 14.261 8.025 6.267 1.00 40.02 O ATOM 391 CB PRO A 29 12.530 7.504 3.812 1.00 51.41 C ATOM 392 CG PRO A 29 11.166 8.111 3.692 1.00 55.13 C ATOM 393 CD PRO A 29 10.239 7.336 4.607 1.00 51.33 C ATOM 0 HA PRO A 29 13.184 5.887 5.154 1.00 5.10 H new ATOM 0 HB2 PRO A 29 13.304 8.271 3.782 1.00 51.41 H new ATOM 0 HB3 PRO A 29 12.728 6.819 2.988 1.00 51.41 H new ATOM 0 HG2 PRO A 29 11.189 9.164 3.973 1.00 55.13 H new ATOM 0 HG3 PRO A 29 10.815 8.064 2.661 1.00 55.13 H new ATOM 0 HD2 PRO A 29 9.691 8.002 5.273 1.00 51.33 H new ATOM 0 HD3 PRO A 29 9.498 6.774 4.038 1.00 51.33 H new ATOM 401 N GLU A 30 12.236 7.948 7.261 1.00 41.33 N ATOM 402 CA GLU A 30 12.644 8.689 8.452 1.00 32.40 C ATOM 403 C GLU A 30 13.564 7.824 9.310 1.00 55.44 C ATOM 404 O GLU A 30 14.707 8.191 9.590 1.00 41.04 O ATOM 405 CB GLU A 30 11.408 9.116 9.259 1.00 75.42 C ATOM 406 CG GLU A 30 11.723 9.845 10.565 1.00 22.04 C ATOM 407 CD GLU A 30 12.497 11.139 10.356 1.00 65.31 C ATOM 408 OE1 GLU A 30 11.963 12.055 9.693 1.00 1.20 O ATOM 409 OE2 GLU A 30 13.629 11.259 10.875 1.00 21.33 O ATOM 0 H GLU A 30 11.248 7.695 7.247 1.00 41.33 H new ATOM 0 HA GLU A 30 13.185 9.584 8.146 1.00 32.40 H new ATOM 0 HB2 GLU A 30 10.790 9.763 8.637 1.00 75.42 H new ATOM 0 HB3 GLU A 30 10.815 8.230 9.486 1.00 75.42 H new ATOM 0 HG2 GLU A 30 10.791 10.066 11.084 1.00 22.04 H new ATOM 0 HG3 GLU A 30 12.300 9.185 11.213 1.00 22.04 H new ATOM 416 N LEU A 31 13.056 6.664 9.710 1.00 14.15 N ATOM 417 CA LEU A 31 13.823 5.720 10.516 1.00 31.21 C ATOM 418 C LEU A 31 14.372 4.597 9.634 1.00 63.45 C ATOM 419 O LEU A 31 15.307 3.892 10.015 1.00 71.41 O ATOM 420 CB LEU A 31 12.943 5.150 11.638 1.00 73.35 C ATOM 421 CG LEU A 31 12.272 6.197 12.542 1.00 63.14 C ATOM 422 CD1 LEU A 31 11.422 5.518 13.612 1.00 3.34 C ATOM 423 CD2 LEU A 31 13.317 7.114 13.177 1.00 21.45 C ATOM 0 H LEU A 31 12.110 6.353 9.488 1.00 14.15 H new ATOM 0 HA LEU A 31 14.666 6.242 10.970 1.00 31.21 H new ATOM 0 HB2 LEU A 31 12.167 4.530 11.189 1.00 73.35 H new ATOM 0 HB3 LEU A 31 13.554 4.495 12.259 1.00 73.35 H new ATOM 0 HG LEU A 31 11.615 6.811 11.925 1.00 63.14 H new ATOM 0 HD11 LEU A 31 10.956 6.276 14.241 1.00 3.34 H new ATOM 0 HD12 LEU A 31 10.648 4.917 13.135 1.00 3.34 H new ATOM 0 HD13 LEU A 31 12.054 4.876 14.225 1.00 3.34 H new ATOM 0 HD21 LEU A 31 12.820 7.847 13.812 1.00 21.45 H new ATOM 0 HD22 LEU A 31 14.005 6.520 13.778 1.00 21.45 H new ATOM 0 HD23 LEU A 31 13.872 7.630 12.394 1.00 21.45 H new ATOM 435 N GLY A 32 13.781 4.441 8.450 1.00 10.11 N ATOM 436 CA GLY A 32 14.289 3.494 7.470 1.00 34.12 C ATOM 437 C GLY A 32 13.664 2.116 7.592 1.00 34.33 C ATOM 438 O GLY A 32 14.374 1.111 7.685 1.00 54.31 O ATOM 0 H GLY A 32 12.954 4.958 8.151 1.00 10.11 H new ATOM 0 HA2 GLY A 32 14.104 3.883 6.469 1.00 34.12 H new ATOM 0 HA3 GLY A 32 15.370 3.407 7.584 1.00 34.12 H new ATOM 442 N ILE A 33 12.332 2.061 7.605 1.00 4.10 N ATOM 443 CA ILE A 33 11.617 0.783 7.627 1.00 13.24 C ATOM 444 C ILE A 33 10.576 0.750 6.515 1.00 14.40 C ATOM 445 O ILE A 33 9.915 1.752 6.242 1.00 3.50 O ATOM 446 CB ILE A 33 10.887 0.501 8.973 1.00 13.15 C ATOM 447 CG1 ILE A 33 11.839 0.610 10.178 1.00 73.43 C ATOM 448 CG2 ILE A 33 10.226 -0.879 8.948 1.00 11.13 C ATOM 449 CD1 ILE A 33 12.098 2.028 10.632 1.00 43.14 C ATOM 0 H ILE A 33 11.728 2.883 7.601 1.00 4.10 H new ATOM 0 HA ILE A 33 12.378 0.015 7.490 1.00 13.24 H new ATOM 0 HB ILE A 33 10.117 1.264 9.088 1.00 13.15 H new ATOM 0 HG12 ILE A 33 11.421 0.044 11.010 1.00 73.43 H new ATOM 0 HG13 ILE A 33 12.789 0.143 9.920 1.00 73.43 H new ATOM 0 HG21 ILE A 33 9.721 -1.058 9.897 1.00 11.13 H new ATOM 0 HG22 ILE A 33 9.499 -0.920 8.137 1.00 11.13 H new ATOM 0 HG23 ILE A 33 10.987 -1.644 8.792 1.00 11.13 H new ATOM 0 HD11 ILE A 33 12.778 2.019 11.484 1.00 43.14 H new ATOM 0 HD12 ILE A 33 12.547 2.595 9.816 1.00 43.14 H new ATOM 0 HD13 ILE A 33 11.157 2.494 10.923 1.00 43.14 H new ATOM 461 N ASN A 34 10.435 -0.401 5.878 1.00 55.41 N ATOM 462 CA ASN A 34 9.395 -0.603 4.875 1.00 31.40 C ATOM 463 C ASN A 34 8.235 -1.366 5.501 1.00 11.41 C ATOM 464 O ASN A 34 8.449 -2.275 6.302 1.00 23.12 O ATOM 465 CB ASN A 34 9.942 -1.364 3.659 1.00 52.52 C ATOM 466 CG ASN A 34 8.907 -1.496 2.556 1.00 53.03 C ATOM 467 OD1 ASN A 34 8.095 -2.415 2.565 1.00 74.21 O ATOM 468 ND2 ASN A 34 8.929 -0.579 1.600 1.00 3.30 N ATOM 0 H ASN A 34 11.029 -1.215 6.037 1.00 55.41 H new ATOM 0 HA ASN A 34 9.046 0.370 4.528 1.00 31.40 H new ATOM 0 HB2 ASN A 34 10.820 -0.846 3.272 1.00 52.52 H new ATOM 0 HB3 ASN A 34 10.269 -2.356 3.970 1.00 52.52 H new ATOM 0 HD21 ASN A 34 8.254 -0.622 0.836 1.00 3.30 H new ATOM 0 HD22 ASN A 34 9.620 0.170 1.628 1.00 3.30 H new ATOM 475 N VAL A 35 7.011 -0.999 5.143 1.00 54.44 N ATOM 476 CA VAL A 35 5.823 -1.589 5.756 1.00 34.22 C ATOM 477 C VAL A 35 5.778 -3.111 5.556 1.00 30.31 C ATOM 478 O VAL A 35 5.352 -3.853 6.447 1.00 60.32 O ATOM 479 CB VAL A 35 4.529 -0.938 5.208 1.00 43.25 C ATOM 480 CG1 VAL A 35 4.489 0.551 5.559 1.00 44.20 C ATOM 481 CG2 VAL A 35 4.406 -1.144 3.698 1.00 63.10 C ATOM 0 H VAL A 35 6.813 -0.296 4.431 1.00 54.44 H new ATOM 0 HA VAL A 35 5.884 -1.391 6.826 1.00 34.22 H new ATOM 0 HB VAL A 35 3.677 -1.426 5.681 1.00 43.25 H new ATOM 0 HG11 VAL A 35 3.573 0.993 5.166 1.00 44.20 H new ATOM 0 HG12 VAL A 35 4.514 0.670 6.642 1.00 44.20 H new ATOM 0 HG13 VAL A 35 5.351 1.052 5.119 1.00 44.20 H new ATOM 0 HG21 VAL A 35 3.488 -0.677 3.341 1.00 63.10 H new ATOM 0 HG22 VAL A 35 5.262 -0.691 3.198 1.00 63.10 H new ATOM 0 HG23 VAL A 35 4.379 -2.211 3.477 1.00 63.10 H new ATOM 491 N VAL A 36 6.255 -3.571 4.396 1.00 42.22 N ATOM 492 CA VAL A 36 6.280 -5.002 4.081 1.00 34.21 C ATOM 493 C VAL A 36 7.107 -5.772 5.112 1.00 64.41 C ATOM 494 O VAL A 36 6.880 -6.963 5.342 1.00 52.41 O ATOM 495 CB VAL A 36 6.844 -5.264 2.656 1.00 71.11 C ATOM 496 CG1 VAL A 36 6.877 -6.758 2.338 1.00 73.15 C ATOM 497 CG2 VAL A 36 6.024 -4.513 1.608 1.00 2.15 C ATOM 0 H VAL A 36 6.629 -2.973 3.659 1.00 42.22 H new ATOM 0 HA VAL A 36 5.250 -5.356 4.113 1.00 34.21 H new ATOM 0 HB VAL A 36 7.869 -4.893 2.630 1.00 71.11 H new ATOM 0 HG11 VAL A 36 7.276 -6.908 1.335 1.00 73.15 H new ATOM 0 HG12 VAL A 36 7.512 -7.270 3.061 1.00 73.15 H new ATOM 0 HG13 VAL A 36 5.867 -7.164 2.391 1.00 73.15 H new ATOM 0 HG21 VAL A 36 6.434 -4.708 0.617 1.00 2.15 H new ATOM 0 HG22 VAL A 36 4.988 -4.851 1.646 1.00 2.15 H new ATOM 0 HG23 VAL A 36 6.064 -3.443 1.813 1.00 2.15 H new ATOM 507 N ASP A 37 8.039 -5.072 5.754 1.00 24.43 N ATOM 508 CA ASP A 37 8.928 -5.684 6.741 1.00 23.10 C ATOM 509 C ASP A 37 8.146 -6.182 7.960 1.00 51.20 C ATOM 510 O ASP A 37 8.614 -7.060 8.689 1.00 31.22 O ATOM 511 CB ASP A 37 10.007 -4.684 7.175 1.00 32.24 C ATOM 512 CG ASP A 37 11.010 -5.275 8.156 1.00 74.33 C ATOM 513 OD1 ASP A 37 11.845 -6.106 7.735 1.00 53.25 O ATOM 514 OD2 ASP A 37 10.990 -4.895 9.346 1.00 45.03 O ATOM 0 H ASP A 37 8.199 -4.075 5.608 1.00 24.43 H new ATOM 0 HA ASP A 37 9.407 -6.545 6.274 1.00 23.10 H new ATOM 0 HB2 ASP A 37 10.538 -4.326 6.293 1.00 32.24 H new ATOM 0 HB3 ASP A 37 9.528 -3.818 7.632 1.00 32.24 H new ATOM 519 N LEU A 38 6.948 -5.627 8.171 1.00 74.24 N ATOM 520 CA LEU A 38 6.074 -6.073 9.262 1.00 10.31 C ATOM 521 C LEU A 38 5.555 -7.486 8.973 1.00 51.33 C ATOM 522 O LEU A 38 5.018 -8.166 9.847 1.00 35.04 O ATOM 523 CB LEU A 38 4.904 -5.093 9.441 1.00 51.22 C ATOM 524 CG LEU A 38 5.307 -3.648 9.786 1.00 51.42 C ATOM 525 CD1 LEU A 38 4.077 -2.749 9.875 1.00 73.13 C ATOM 526 CD2 LEU A 38 6.104 -3.603 11.090 1.00 74.20 C ATOM 0 H LEU A 38 6.562 -4.872 7.604 1.00 74.24 H new ATOM 0 HA LEU A 38 6.647 -6.096 10.189 1.00 10.31 H new ATOM 0 HB2 LEU A 38 4.318 -5.080 8.522 1.00 51.22 H new ATOM 0 HB3 LEU A 38 4.253 -5.470 10.230 1.00 51.22 H new ATOM 0 HG LEU A 38 5.944 -3.274 8.985 1.00 51.42 H new ATOM 0 HD11 LEU A 38 4.386 -1.733 10.120 1.00 73.13 H new ATOM 0 HD12 LEU A 38 3.556 -2.749 8.917 1.00 73.13 H new ATOM 0 HD13 LEU A 38 3.409 -3.122 10.651 1.00 73.13 H new ATOM 0 HD21 LEU A 38 6.378 -2.572 11.314 1.00 74.20 H new ATOM 0 HD22 LEU A 38 5.496 -4.001 11.902 1.00 74.20 H new ATOM 0 HD23 LEU A 38 7.007 -4.204 10.985 1.00 74.20 H new ATOM 538 N GLY A 39 5.712 -7.893 7.716 1.00 20.30 N ATOM 539 CA GLY A 39 5.391 -9.241 7.278 1.00 55.23 C ATOM 540 C GLY A 39 3.921 -9.601 7.387 1.00 42.43 C ATOM 541 O GLY A 39 3.571 -10.783 7.449 1.00 20.20 O ATOM 0 H GLY A 39 6.067 -7.292 6.973 1.00 20.30 H new ATOM 0 HA2 GLY A 39 5.705 -9.358 6.241 1.00 55.23 H new ATOM 0 HA3 GLY A 39 5.971 -9.950 7.869 1.00 55.23 H new ATOM 545 N LEU A 40 3.049 -8.597 7.416 1.00 62.41 N ATOM 546 CA LEU A 40 1.616 -8.828 7.241 1.00 23.12 C ATOM 547 C LEU A 40 1.223 -8.527 5.799 1.00 71.34 C ATOM 548 O LEU A 40 0.292 -9.115 5.256 1.00 10.13 O ATOM 549 CB LEU A 40 0.778 -7.984 8.213 1.00 40.40 C ATOM 550 CG LEU A 40 -0.740 -8.237 8.136 1.00 22.14 C ATOM 551 CD1 LEU A 40 -1.056 -9.714 8.371 1.00 4.41 C ATOM 552 CD2 LEU A 40 -1.494 -7.365 9.137 1.00 70.15 C ATOM 0 H LEU A 40 3.306 -7.620 7.558 1.00 62.41 H new ATOM 0 HA LEU A 40 1.411 -9.875 7.465 1.00 23.12 H new ATOM 0 HB2 LEU A 40 1.115 -8.183 9.230 1.00 40.40 H new ATOM 0 HB3 LEU A 40 0.968 -6.929 8.015 1.00 40.40 H new ATOM 0 HG LEU A 40 -1.072 -7.968 7.133 1.00 22.14 H new ATOM 0 HD11 LEU A 40 -2.133 -9.869 8.312 1.00 4.41 H new ATOM 0 HD12 LEU A 40 -0.560 -10.318 7.611 1.00 4.41 H new ATOM 0 HD13 LEU A 40 -0.700 -10.010 9.358 1.00 4.41 H new ATOM 0 HD21 LEU A 40 -2.563 -7.564 9.061 1.00 70.15 H new ATOM 0 HD22 LEU A 40 -1.154 -7.593 10.147 1.00 70.15 H new ATOM 0 HD23 LEU A 40 -1.305 -6.314 8.919 1.00 70.15 H new ATOM 564 N VAL A 41 1.985 -7.624 5.179 1.00 43.22 N ATOM 565 CA VAL A 41 1.680 -7.112 3.840 1.00 41.14 C ATOM 566 C VAL A 41 1.762 -8.219 2.778 1.00 31.40 C ATOM 567 O VAL A 41 1.447 -8.002 1.610 1.00 51.11 O ATOM 568 CB VAL A 41 2.634 -5.940 3.468 1.00 65.32 C ATOM 569 CG1 VAL A 41 2.219 -5.263 2.161 1.00 54.11 C ATOM 570 CG2 VAL A 41 2.692 -4.921 4.603 1.00 24.34 C ATOM 0 H VAL A 41 2.830 -7.227 5.590 1.00 43.22 H new ATOM 0 HA VAL A 41 0.655 -6.741 3.860 1.00 41.14 H new ATOM 0 HB VAL A 41 3.629 -6.360 3.318 1.00 65.32 H new ATOM 0 HG11 VAL A 41 2.910 -4.450 1.937 1.00 54.11 H new ATOM 0 HG12 VAL A 41 2.241 -5.992 1.351 1.00 54.11 H new ATOM 0 HG13 VAL A 41 1.210 -4.863 2.263 1.00 54.11 H new ATOM 0 HG21 VAL A 41 3.363 -4.108 4.328 1.00 24.34 H new ATOM 0 HG22 VAL A 41 1.694 -4.522 4.785 1.00 24.34 H new ATOM 0 HG23 VAL A 41 3.060 -5.405 5.508 1.00 24.34 H new ATOM 580 N TYR A 42 2.177 -9.416 3.194 1.00 3.44 N ATOM 581 CA TYR A 42 2.197 -10.571 2.300 1.00 24.20 C ATOM 582 C TYR A 42 0.769 -11.014 1.997 1.00 31.25 C ATOM 583 O TYR A 42 0.523 -11.784 1.065 1.00 31.33 O ATOM 584 CB TYR A 42 3.001 -11.727 2.915 1.00 14.42 C ATOM 585 CG TYR A 42 4.472 -11.406 3.125 1.00 61.00 C ATOM 586 CD1 TYR A 42 5.273 -10.995 2.063 1.00 41.14 C ATOM 587 CD2 TYR A 42 5.058 -11.521 4.380 1.00 10.44 C ATOM 588 CE1 TYR A 42 6.612 -10.708 2.248 1.00 65.51 C ATOM 589 CE2 TYR A 42 6.397 -11.235 4.572 1.00 43.40 C ATOM 590 CZ TYR A 42 7.169 -10.830 3.504 1.00 13.45 C ATOM 591 OH TYR A 42 8.502 -10.546 3.694 1.00 12.31 O ATOM 0 H TYR A 42 2.502 -9.609 4.141 1.00 3.44 H new ATOM 0 HA TYR A 42 2.685 -10.283 1.369 1.00 24.20 H new ATOM 0 HB2 TYR A 42 2.557 -11.997 3.873 1.00 14.42 H new ATOM 0 HB3 TYR A 42 2.918 -12.600 2.268 1.00 14.42 H new ATOM 0 HD1 TYR A 42 4.841 -10.899 1.078 1.00 41.14 H new ATOM 0 HD2 TYR A 42 4.457 -11.839 5.219 1.00 10.44 H new ATOM 0 HE1 TYR A 42 7.219 -10.390 1.413 1.00 65.51 H new ATOM 0 HE2 TYR A 42 6.836 -11.328 5.554 1.00 43.40 H new ATOM 0 HH TYR A 42 8.734 -10.681 4.636 1.00 12.31 H new ATOM 601 N GLY A 43 -0.171 -10.518 2.800 1.00 14.35 N ATOM 602 CA GLY A 43 -1.578 -10.763 2.560 1.00 0.33 C ATOM 603 C GLY A 43 -2.133 -9.810 1.519 1.00 43.44 C ATOM 604 O GLY A 43 -2.940 -8.932 1.829 1.00 62.40 O ATOM 0 H GLY A 43 0.024 -9.945 3.621 1.00 14.35 H new ATOM 0 HA2 GLY A 43 -1.719 -11.791 2.227 1.00 0.33 H new ATOM 0 HA3 GLY A 43 -2.133 -10.651 3.491 1.00 0.33 H new ATOM 608 N LEU A 44 -1.661 -9.956 0.287 1.00 44.24 N ATOM 609 CA LEU A 44 -2.147 -9.149 -0.821 1.00 74.10 C ATOM 610 C LEU A 44 -3.183 -9.938 -1.614 1.00 51.44 C ATOM 611 O LEU A 44 -3.003 -11.130 -1.875 1.00 40.55 O ATOM 612 CB LEU A 44 -0.975 -8.679 -1.713 1.00 61.03 C ATOM 613 CG LEU A 44 -0.034 -9.776 -2.260 1.00 13.45 C ATOM 614 CD1 LEU A 44 -0.591 -10.408 -3.538 1.00 52.51 C ATOM 615 CD2 LEU A 44 1.363 -9.203 -2.503 1.00 2.21 C ATOM 0 H LEU A 44 -0.939 -10.629 0.031 1.00 44.24 H new ATOM 0 HA LEU A 44 -2.628 -8.253 -0.430 1.00 74.10 H new ATOM 0 HB2 LEU A 44 -1.390 -8.134 -2.561 1.00 61.03 H new ATOM 0 HB3 LEU A 44 -0.375 -7.971 -1.141 1.00 61.03 H new ATOM 0 HG LEU A 44 0.036 -10.564 -1.510 1.00 13.45 H new ATOM 0 HD11 LEU A 44 0.097 -11.175 -3.894 1.00 52.51 H new ATOM 0 HD12 LEU A 44 -1.561 -10.859 -3.328 1.00 52.51 H new ATOM 0 HD13 LEU A 44 -0.706 -9.640 -4.303 1.00 52.51 H new ATOM 0 HD21 LEU A 44 2.016 -9.986 -2.888 1.00 2.21 H new ATOM 0 HD22 LEU A 44 1.302 -8.392 -3.229 1.00 2.21 H new ATOM 0 HD23 LEU A 44 1.768 -8.822 -1.566 1.00 2.21 H new ATOM 627 N ASP A 45 -4.276 -9.279 -1.966 1.00 12.53 N ATOM 628 CA ASP A 45 -5.366 -9.912 -2.689 1.00 63.22 C ATOM 629 C ASP A 45 -5.963 -8.905 -3.658 1.00 71.41 C ATOM 630 O ASP A 45 -6.588 -7.941 -3.246 1.00 31.40 O ATOM 631 CB ASP A 45 -6.432 -10.407 -1.694 1.00 32.44 C ATOM 632 CG ASP A 45 -7.596 -11.122 -2.365 1.00 3.34 C ATOM 633 OD1 ASP A 45 -7.408 -12.275 -2.811 1.00 2.52 O ATOM 634 OD2 ASP A 45 -8.704 -10.554 -2.420 1.00 12.54 O ATOM 0 H ASP A 45 -4.432 -8.292 -1.759 1.00 12.53 H new ATOM 0 HA ASP A 45 -4.996 -10.771 -3.249 1.00 63.22 H new ATOM 0 HB2 ASP A 45 -5.964 -11.082 -0.977 1.00 32.44 H new ATOM 0 HB3 ASP A 45 -6.814 -9.557 -1.129 1.00 32.44 H new ATOM 639 N VAL A 46 -5.739 -9.100 -4.947 1.00 41.13 N ATOM 640 CA VAL A 46 -6.241 -8.163 -5.944 1.00 34.54 C ATOM 641 C VAL A 46 -7.290 -8.834 -6.819 1.00 33.41 C ATOM 642 O VAL A 46 -7.202 -10.036 -7.097 1.00 3.22 O ATOM 643 CB VAL A 46 -5.099 -7.589 -6.829 1.00 1.42 C ATOM 644 CG1 VAL A 46 -3.984 -7.006 -5.960 1.00 35.25 C ATOM 645 CG2 VAL A 46 -4.547 -8.644 -7.781 1.00 73.51 C ATOM 0 H VAL A 46 -5.218 -9.890 -5.327 1.00 41.13 H new ATOM 0 HA VAL A 46 -6.695 -7.330 -5.408 1.00 34.54 H new ATOM 0 HB VAL A 46 -5.520 -6.786 -7.435 1.00 1.42 H new ATOM 0 HG11 VAL A 46 -3.195 -6.610 -6.599 1.00 35.25 H new ATOM 0 HG12 VAL A 46 -4.387 -6.204 -5.341 1.00 35.25 H new ATOM 0 HG13 VAL A 46 -3.575 -7.788 -5.320 1.00 35.25 H new ATOM 0 HG21 VAL A 46 -3.751 -8.209 -8.384 1.00 73.51 H new ATOM 0 HG22 VAL A 46 -4.151 -9.481 -7.206 1.00 73.51 H new ATOM 0 HG23 VAL A 46 -5.345 -8.998 -8.434 1.00 73.51 H new ATOM 655 N GLN A 47 -8.287 -8.064 -7.229 1.00 24.24 N ATOM 656 CA GLN A 47 -9.350 -8.562 -8.089 1.00 62.42 C ATOM 657 C GLN A 47 -9.648 -7.539 -9.181 1.00 70.03 C ATOM 658 O GLN A 47 -9.913 -6.361 -8.902 1.00 14.53 O ATOM 659 CB GLN A 47 -10.614 -8.874 -7.268 1.00 41.31 C ATOM 660 CG GLN A 47 -11.161 -7.682 -6.492 1.00 54.05 C ATOM 661 CD GLN A 47 -12.438 -7.996 -5.729 1.00 2.23 C ATOM 662 OE1 GLN A 47 -13.231 -8.845 -6.136 1.00 32.33 O ATOM 663 NE2 GLN A 47 -12.649 -7.301 -4.623 1.00 33.41 N ATOM 0 H GLN A 47 -8.382 -7.080 -6.976 1.00 24.24 H new ATOM 0 HA GLN A 47 -9.022 -9.490 -8.557 1.00 62.42 H new ATOM 0 HB2 GLN A 47 -11.389 -9.243 -7.940 1.00 41.31 H new ATOM 0 HB3 GLN A 47 -10.390 -9.678 -6.567 1.00 41.31 H new ATOM 0 HG2 GLN A 47 -10.403 -7.335 -5.790 1.00 54.05 H new ATOM 0 HG3 GLN A 47 -11.352 -6.863 -7.185 1.00 54.05 H new ATOM 0 HE21 GLN A 47 -11.967 -6.606 -4.319 1.00 33.41 H new ATOM 0 HE22 GLN A 47 -13.494 -7.460 -4.074 1.00 33.41 H new ATOM 672 N ASP A 48 -9.569 -7.981 -10.426 1.00 22.15 N ATOM 673 CA ASP A 48 -9.824 -7.112 -11.564 1.00 32.40 C ATOM 674 C ASP A 48 -11.292 -7.184 -11.961 1.00 63.42 C ATOM 675 O ASP A 48 -11.698 -8.007 -12.781 1.00 23.43 O ATOM 676 CB ASP A 48 -8.907 -7.465 -12.746 1.00 51.40 C ATOM 677 CG ASP A 48 -9.061 -8.903 -13.228 1.00 15.51 C ATOM 678 OD1 ASP A 48 -9.546 -9.106 -14.363 1.00 31.14 O ATOM 679 OD2 ASP A 48 -8.697 -9.833 -12.474 1.00 32.14 O ATOM 0 H ASP A 48 -9.329 -8.941 -10.675 1.00 22.15 H new ATOM 0 HA ASP A 48 -9.598 -6.086 -11.274 1.00 32.40 H new ATOM 0 HB2 ASP A 48 -9.118 -6.788 -13.574 1.00 51.40 H new ATOM 0 HB3 ASP A 48 -7.870 -7.297 -12.454 1.00 51.40 H new ATOM 684 N GLY A 49 -12.090 -6.328 -11.342 1.00 2.33 N ATOM 685 CA GLY A 49 -13.510 -6.293 -11.624 1.00 14.33 C ATOM 686 C GLY A 49 -13.799 -5.656 -12.966 1.00 1.11 C ATOM 687 O GLY A 49 -13.055 -4.780 -13.415 1.00 31.33 O ATOM 0 H GLY A 49 -11.777 -5.652 -10.645 1.00 2.33 H new ATOM 0 HA2 GLY A 49 -13.909 -7.307 -11.609 1.00 14.33 H new ATOM 0 HA3 GLY A 49 -14.023 -5.737 -10.839 1.00 14.33 H new ATOM 691 N ASP A 50 -14.884 -6.083 -13.599 1.00 14.31 N ATOM 692 CA ASP A 50 -15.265 -5.575 -14.916 1.00 21.14 C ATOM 693 C ASP A 50 -15.671 -4.106 -14.826 1.00 4.44 C ATOM 694 O ASP A 50 -15.705 -3.398 -15.834 1.00 63.13 O ATOM 695 CB ASP A 50 -16.402 -6.424 -15.516 1.00 73.10 C ATOM 696 CG ASP A 50 -17.677 -6.411 -14.682 1.00 51.12 C ATOM 697 OD1 ASP A 50 -18.767 -6.184 -15.249 1.00 71.55 O ATOM 698 OD2 ASP A 50 -17.596 -6.640 -13.452 1.00 3.14 O ATOM 0 H ASP A 50 -15.521 -6.784 -13.221 1.00 14.31 H new ATOM 0 HA ASP A 50 -14.402 -5.649 -15.578 1.00 21.14 H new ATOM 0 HB2 ASP A 50 -16.629 -6.057 -16.517 1.00 73.10 H new ATOM 0 HB3 ASP A 50 -16.058 -7.453 -15.624 1.00 73.10 H new ATOM 703 N GLU A 51 -15.978 -3.653 -13.610 1.00 33.31 N ATOM 704 CA GLU A 51 -16.285 -2.244 -13.361 1.00 65.15 C ATOM 705 C GLU A 51 -15.066 -1.495 -12.820 1.00 43.54 C ATOM 706 O GLU A 51 -14.995 -0.270 -12.916 1.00 5.24 O ATOM 707 CB GLU A 51 -17.449 -2.113 -12.372 1.00 71.44 C ATOM 708 CG GLU A 51 -18.775 -2.627 -12.913 1.00 73.51 C ATOM 709 CD GLU A 51 -19.182 -1.941 -14.209 1.00 1.42 C ATOM 710 OE1 GLU A 51 -19.389 -0.711 -14.200 1.00 72.04 O ATOM 711 OE2 GLU A 51 -19.313 -2.631 -15.239 1.00 24.32 O ATOM 0 H GLU A 51 -16.021 -4.244 -12.780 1.00 33.31 H new ATOM 0 HA GLU A 51 -16.570 -1.798 -14.314 1.00 65.15 H new ATOM 0 HB2 GLU A 51 -17.203 -2.659 -11.461 1.00 71.44 H new ATOM 0 HB3 GLU A 51 -17.562 -1.065 -12.095 1.00 71.44 H new ATOM 0 HG2 GLU A 51 -18.703 -3.701 -13.082 1.00 73.51 H new ATOM 0 HG3 GLU A 51 -19.553 -2.474 -12.165 1.00 73.51 H new ATOM 718 N GLY A 52 -14.109 -2.232 -12.258 1.00 10.10 N ATOM 719 CA GLY A 52 -12.936 -1.606 -11.669 1.00 42.12 C ATOM 720 C GLY A 52 -11.940 -2.619 -11.132 1.00 41.12 C ATOM 721 O GLY A 52 -12.317 -3.558 -10.429 1.00 1.40 O ATOM 0 H GLY A 52 -14.125 -3.250 -12.200 1.00 10.10 H new ATOM 0 HA2 GLY A 52 -12.447 -0.983 -12.418 1.00 42.12 H new ATOM 0 HA3 GLY A 52 -13.249 -0.946 -10.860 1.00 42.12 H new ATOM 725 N THR A 53 -10.671 -2.440 -11.484 1.00 20.33 N ATOM 726 CA THR A 53 -9.595 -3.288 -10.985 1.00 20.22 C ATOM 727 C THR A 53 -9.108 -2.765 -9.636 1.00 31.35 C ATOM 728 O THR A 53 -8.465 -1.713 -9.568 1.00 73.22 O ATOM 729 CB THR A 53 -8.413 -3.312 -11.978 1.00 73.42 C ATOM 730 OG1 THR A 53 -8.890 -3.626 -13.296 1.00 41.02 O ATOM 731 CG2 THR A 53 -7.354 -4.328 -11.558 1.00 31.51 C ATOM 0 H THR A 53 -10.361 -1.706 -12.121 1.00 20.33 H new ATOM 0 HA THR A 53 -9.981 -4.301 -10.872 1.00 20.22 H new ATOM 0 HB THR A 53 -7.953 -2.324 -11.979 1.00 73.42 H new ATOM 0 HG1 THR A 53 -8.136 -3.638 -13.922 1.00 41.02 H new ATOM 0 HG21 THR A 53 -6.536 -4.320 -12.278 1.00 31.51 H new ATOM 0 HG22 THR A 53 -6.971 -4.068 -10.571 1.00 31.51 H new ATOM 0 HG23 THR A 53 -7.798 -5.323 -11.524 1.00 31.51 H new ATOM 739 N VAL A 54 -9.410 -3.494 -8.570 1.00 30.04 N ATOM 740 CA VAL A 54 -9.090 -3.039 -7.221 1.00 61.32 C ATOM 741 C VAL A 54 -8.064 -3.960 -6.555 1.00 34.42 C ATOM 742 O VAL A 54 -8.171 -5.187 -6.623 1.00 30.43 O ATOM 743 CB VAL A 54 -10.368 -2.925 -6.343 1.00 43.24 C ATOM 744 CG1 VAL A 54 -11.091 -4.264 -6.235 1.00 44.51 C ATOM 745 CG2 VAL A 54 -10.033 -2.371 -4.958 1.00 21.33 C ATOM 0 H VAL A 54 -9.875 -4.401 -8.611 1.00 30.04 H new ATOM 0 HA VAL A 54 -8.651 -2.045 -7.310 1.00 61.32 H new ATOM 0 HB VAL A 54 -11.043 -2.224 -6.834 1.00 43.24 H new ATOM 0 HG11 VAL A 54 -11.980 -4.149 -5.614 1.00 44.51 H new ATOM 0 HG12 VAL A 54 -11.384 -4.601 -7.229 1.00 44.51 H new ATOM 0 HG13 VAL A 54 -10.427 -5.001 -5.784 1.00 44.51 H new ATOM 0 HG21 VAL A 54 -10.944 -2.301 -4.364 1.00 21.33 H new ATOM 0 HG22 VAL A 54 -9.326 -3.036 -4.461 1.00 21.33 H new ATOM 0 HG23 VAL A 54 -9.590 -1.381 -5.060 1.00 21.33 H new ATOM 755 N ALA A 55 -7.055 -3.351 -5.942 1.00 4.31 N ATOM 756 CA ALA A 55 -6.002 -4.081 -5.243 1.00 33.01 C ATOM 757 C ALA A 55 -6.214 -4.001 -3.731 1.00 72.32 C ATOM 758 O ALA A 55 -6.155 -2.917 -3.148 1.00 40.41 O ATOM 759 CB ALA A 55 -4.636 -3.511 -5.612 1.00 61.45 C ATOM 0 H ALA A 55 -6.943 -2.337 -5.915 1.00 4.31 H new ATOM 0 HA ALA A 55 -6.042 -5.127 -5.546 1.00 33.01 H new ATOM 0 HB1 ALA A 55 -3.857 -4.063 -5.085 1.00 61.45 H new ATOM 0 HB2 ALA A 55 -4.482 -3.603 -6.687 1.00 61.45 H new ATOM 0 HB3 ALA A 55 -4.592 -2.460 -5.328 1.00 61.45 H new ATOM 765 N LEU A 56 -6.467 -5.142 -3.102 1.00 1.24 N ATOM 766 CA LEU A 56 -6.680 -5.195 -1.658 1.00 12.04 C ATOM 767 C LEU A 56 -5.373 -5.586 -0.971 1.00 51.45 C ATOM 768 O LEU A 56 -4.728 -6.558 -1.366 1.00 43.41 O ATOM 769 CB LEU A 56 -7.788 -6.209 -1.315 1.00 45.13 C ATOM 770 CG LEU A 56 -8.946 -6.281 -2.327 1.00 44.34 C ATOM 771 CD1 LEU A 56 -9.926 -7.394 -1.966 1.00 21.53 C ATOM 772 CD2 LEU A 56 -9.671 -4.943 -2.430 1.00 42.31 C ATOM 0 H LEU A 56 -6.530 -6.046 -3.569 1.00 1.24 H new ATOM 0 HA LEU A 56 -6.996 -4.213 -1.304 1.00 12.04 H new ATOM 0 HB2 LEU A 56 -7.339 -7.199 -1.230 1.00 45.13 H new ATOM 0 HB3 LEU A 56 -8.197 -5.959 -0.336 1.00 45.13 H new ATOM 0 HG LEU A 56 -8.515 -6.511 -3.302 1.00 44.34 H new ATOM 0 HD11 LEU A 56 -10.733 -7.420 -2.699 1.00 21.53 H new ATOM 0 HD12 LEU A 56 -9.405 -8.351 -1.965 1.00 21.53 H new ATOM 0 HD13 LEU A 56 -10.341 -7.206 -0.976 1.00 21.53 H new ATOM 0 HD21 LEU A 56 -10.484 -5.024 -3.152 1.00 42.31 H new ATOM 0 HD22 LEU A 56 -10.077 -4.673 -1.455 1.00 42.31 H new ATOM 0 HD23 LEU A 56 -8.971 -4.174 -2.757 1.00 42.31 H new ATOM 784 N ILE A 57 -4.972 -4.821 0.037 1.00 44.32 N ATOM 785 CA ILE A 57 -3.726 -5.077 0.756 1.00 72.43 C ATOM 786 C ILE A 57 -3.987 -5.140 2.259 1.00 50.55 C ATOM 787 O ILE A 57 -4.450 -4.164 2.852 1.00 10.24 O ATOM 788 CB ILE A 57 -2.672 -3.973 0.468 1.00 64.31 C ATOM 789 CG1 ILE A 57 -2.432 -3.832 -1.048 1.00 34.11 C ATOM 790 CG2 ILE A 57 -1.363 -4.278 1.196 1.00 71.31 C ATOM 791 CD1 ILE A 57 -1.480 -2.709 -1.421 1.00 45.34 C ATOM 0 H ILE A 57 -5.494 -4.013 0.378 1.00 44.32 H new ATOM 0 HA ILE A 57 -3.335 -6.033 0.408 1.00 72.43 H new ATOM 0 HB ILE A 57 -3.058 -3.024 0.841 1.00 64.31 H new ATOM 0 HG12 ILE A 57 -2.036 -4.772 -1.432 1.00 34.11 H new ATOM 0 HG13 ILE A 57 -3.388 -3.663 -1.543 1.00 34.11 H new ATOM 0 HG21 ILE A 57 -0.637 -3.494 0.982 1.00 71.31 H new ATOM 0 HG22 ILE A 57 -1.545 -4.321 2.270 1.00 71.31 H new ATOM 0 HG23 ILE A 57 -0.972 -5.237 0.856 1.00 71.31 H new ATOM 0 HD11 ILE A 57 -1.364 -2.675 -2.504 1.00 45.34 H new ATOM 0 HD12 ILE A 57 -1.883 -1.759 -1.070 1.00 45.34 H new ATOM 0 HD13 ILE A 57 -0.510 -2.886 -0.957 1.00 45.34 H new ATOM 803 N ASP A 58 -3.707 -6.287 2.869 1.00 65.24 N ATOM 804 CA ASP A 58 -3.890 -6.456 4.307 1.00 4.33 C ATOM 805 C ASP A 58 -2.667 -5.946 5.065 1.00 74.01 C ATOM 806 O ASP A 58 -1.563 -6.471 4.909 1.00 62.05 O ATOM 807 CB ASP A 58 -4.162 -7.931 4.650 1.00 63.14 C ATOM 808 CG ASP A 58 -5.542 -8.388 4.188 1.00 5.01 C ATOM 809 OD1 ASP A 58 -5.638 -9.247 3.286 1.00 32.43 O ATOM 810 OD2 ASP A 58 -6.544 -7.872 4.721 1.00 64.10 O ATOM 0 H ASP A 58 -3.352 -7.114 2.390 1.00 65.24 H new ATOM 0 HA ASP A 58 -4.755 -5.869 4.614 1.00 4.33 H new ATOM 0 HB2 ASP A 58 -3.400 -8.556 4.185 1.00 63.14 H new ATOM 0 HB3 ASP A 58 -4.077 -8.073 5.727 1.00 63.14 H new ATOM 815 N MET A 59 -2.863 -4.905 5.874 1.00 62.41 N ATOM 816 CA MET A 59 -1.777 -4.310 6.654 1.00 71.03 C ATOM 817 C MET A 59 -2.212 -4.044 8.094 1.00 72.42 C ATOM 818 O MET A 59 -3.389 -4.202 8.455 1.00 34.31 O ATOM 819 CB MET A 59 -1.269 -2.991 6.031 1.00 24.23 C ATOM 820 CG MET A 59 -0.638 -3.140 4.650 1.00 12.43 C ATOM 821 SD MET A 59 0.653 -1.908 4.330 1.00 13.44 S ATOM 822 CE MET A 59 -0.213 -0.359 4.590 1.00 25.41 C ATOM 0 H MET A 59 -3.768 -4.454 6.007 1.00 62.41 H new ATOM 0 HA MET A 59 -0.963 -5.035 6.647 1.00 71.03 H new ATOM 0 HB2 MET A 59 -2.103 -2.293 5.961 1.00 24.23 H new ATOM 0 HB3 MET A 59 -0.536 -2.546 6.704 1.00 24.23 H new ATOM 0 HG2 MET A 59 -0.212 -4.139 4.556 1.00 12.43 H new ATOM 0 HG3 MET A 59 -1.414 -3.052 3.890 1.00 12.43 H new ATOM 0 HE1 MET A 59 -0.097 0.275 3.711 1.00 25.41 H new ATOM 0 HE2 MET A 59 -1.272 -0.558 4.757 1.00 25.41 H new ATOM 0 HE3 MET A 59 0.203 0.149 5.461 1.00 25.41 H new ATOM 832 N THR A 60 -1.226 -3.684 8.910 1.00 53.32 N ATOM 833 CA THR A 60 -1.438 -3.217 10.269 1.00 54.43 C ATOM 834 C THR A 60 -0.194 -2.448 10.703 1.00 53.24 C ATOM 835 O THR A 60 0.915 -2.769 10.266 1.00 40.23 O ATOM 836 CB THR A 60 -1.719 -4.382 11.257 1.00 51.22 C ATOM 837 OG1 THR A 60 -2.314 -3.877 12.459 1.00 20.40 O ATOM 838 CG2 THR A 60 -0.444 -5.150 11.608 1.00 1.41 C ATOM 0 H THR A 60 -0.243 -3.710 8.638 1.00 53.32 H new ATOM 0 HA THR A 60 -2.319 -2.576 10.286 1.00 54.43 H new ATOM 0 HB THR A 60 -2.405 -5.069 10.762 1.00 51.22 H new ATOM 0 HG1 THR A 60 -3.142 -4.367 12.645 1.00 20.40 H new ATOM 0 HG21 THR A 60 -0.684 -5.956 12.301 1.00 1.41 H new ATOM 0 HG22 THR A 60 -0.010 -5.569 10.700 1.00 1.41 H new ATOM 0 HG23 THR A 60 0.272 -4.473 12.073 1.00 1.41 H new ATOM 846 N LEU A 61 -0.370 -1.418 11.515 1.00 64.32 N ATOM 847 CA LEU A 61 0.763 -0.635 12.000 1.00 31.33 C ATOM 848 C LEU A 61 1.275 -1.230 13.309 1.00 12.22 C ATOM 849 O LEU A 61 0.570 -2.006 13.948 1.00 62.21 O ATOM 850 CB LEU A 61 0.362 0.840 12.173 1.00 75.13 C ATOM 851 CG LEU A 61 -0.106 1.539 10.881 1.00 75.21 C ATOM 852 CD1 LEU A 61 -0.487 2.990 11.141 1.00 63.05 C ATOM 853 CD2 LEU A 61 0.962 1.450 9.788 1.00 4.13 C ATOM 0 H LEU A 61 -1.280 -1.103 11.852 1.00 64.32 H new ATOM 0 HA LEU A 61 1.569 -0.673 11.267 1.00 31.33 H new ATOM 0 HB2 LEU A 61 -0.437 0.900 12.912 1.00 75.13 H new ATOM 0 HB3 LEU A 61 1.213 1.388 12.578 1.00 75.13 H new ATOM 0 HG LEU A 61 -0.996 1.016 10.532 1.00 75.21 H new ATOM 0 HD11 LEU A 61 -0.812 3.453 10.210 1.00 63.05 H new ATOM 0 HD12 LEU A 61 -1.298 3.029 11.868 1.00 63.05 H new ATOM 0 HD13 LEU A 61 0.376 3.528 11.532 1.00 63.05 H new ATOM 0 HD21 LEU A 61 0.605 1.951 8.888 1.00 4.13 H new ATOM 0 HD22 LEU A 61 1.877 1.932 10.133 1.00 4.13 H new ATOM 0 HD23 LEU A 61 1.166 0.403 9.563 1.00 4.13 H new ATOM 865 N THR A 62 2.496 -0.859 13.701 1.00 14.30 N ATOM 866 CA THR A 62 3.154 -1.430 14.880 1.00 52.45 C ATOM 867 C THR A 62 2.211 -1.507 16.090 1.00 3.12 C ATOM 868 O THR A 62 2.123 -2.543 16.755 1.00 22.15 O ATOM 869 CB THR A 62 4.413 -0.610 15.248 1.00 25.33 C ATOM 870 OG1 THR A 62 5.222 -0.425 14.078 1.00 21.41 O ATOM 871 CG2 THR A 62 5.231 -1.304 16.332 1.00 65.20 C ATOM 0 H THR A 62 3.054 -0.158 13.214 1.00 14.30 H new ATOM 0 HA THR A 62 3.445 -2.448 14.621 1.00 52.45 H new ATOM 0 HB THR A 62 4.090 0.356 15.635 1.00 25.33 H new ATOM 0 HG1 THR A 62 6.019 0.096 14.310 1.00 21.41 H new ATOM 0 HG21 THR A 62 6.109 -0.702 16.567 1.00 65.20 H new ATOM 0 HG22 THR A 62 4.622 -1.423 17.228 1.00 65.20 H new ATOM 0 HG23 THR A 62 5.548 -2.284 15.977 1.00 65.20 H new ATOM 879 N SER A 63 1.508 -0.413 16.370 1.00 63.21 N ATOM 880 CA SER A 63 0.527 -0.385 17.454 1.00 54.02 C ATOM 881 C SER A 63 -0.881 -0.651 16.912 1.00 32.53 C ATOM 882 O SER A 63 -1.800 -0.994 17.662 1.00 22.22 O ATOM 883 CB SER A 63 0.576 0.976 18.164 1.00 71.42 C ATOM 884 OG SER A 63 -0.363 1.046 19.221 1.00 11.21 O ATOM 0 H SER A 63 1.599 0.467 15.862 1.00 63.21 H new ATOM 0 HA SER A 63 0.772 -1.170 18.170 1.00 54.02 H new ATOM 0 HB2 SER A 63 1.579 1.147 18.555 1.00 71.42 H new ATOM 0 HB3 SER A 63 0.375 1.770 17.445 1.00 71.42 H new ATOM 0 HG SER A 63 -0.305 1.924 19.653 1.00 11.21 H new ATOM 890 N ALA A 64 -1.038 -0.486 15.596 1.00 64.43 N ATOM 891 CA ALA A 64 -2.334 -0.626 14.921 1.00 53.12 C ATOM 892 C ALA A 64 -3.353 0.397 15.440 1.00 52.52 C ATOM 893 O ALA A 64 -4.535 0.336 15.103 1.00 72.54 O ATOM 894 CB ALA A 64 -2.868 -2.050 15.064 1.00 32.41 C ATOM 0 H ALA A 64 -0.270 -0.251 14.967 1.00 64.43 H new ATOM 0 HA ALA A 64 -2.179 -0.424 13.861 1.00 53.12 H new ATOM 0 HB1 ALA A 64 -3.829 -2.131 14.556 1.00 32.41 H new ATOM 0 HB2 ALA A 64 -2.162 -2.750 14.617 1.00 32.41 H new ATOM 0 HB3 ALA A 64 -2.995 -2.287 16.120 1.00 32.41 H new ATOM 900 N ALA A 65 -2.879 1.336 16.255 1.00 13.14 N ATOM 901 CA ALA A 65 -3.713 2.418 16.777 1.00 12.21 C ATOM 902 C ALA A 65 -3.239 3.755 16.221 1.00 33.33 C ATOM 903 O ALA A 65 -3.839 4.801 16.480 1.00 73.10 O ATOM 904 CB ALA A 65 -3.663 2.427 18.302 1.00 11.12 C ATOM 0 H ALA A 65 -1.910 1.370 16.572 1.00 13.14 H new ATOM 0 HA ALA A 65 -4.744 2.256 16.464 1.00 12.21 H new ATOM 0 HB1 ALA A 65 -4.287 3.236 18.682 1.00 11.12 H new ATOM 0 HB2 ALA A 65 -4.031 1.475 18.684 1.00 11.12 H new ATOM 0 HB3 ALA A 65 -2.635 2.577 18.631 1.00 11.12 H new ATOM 910 N CYS A 66 -2.152 3.707 15.459 1.00 33.45 N ATOM 911 CA CYS A 66 -1.554 4.897 14.875 1.00 65.32 C ATOM 912 C CYS A 66 -2.467 5.460 13.778 1.00 74.40 C ATOM 913 O CYS A 66 -2.805 4.754 12.825 1.00 40.31 O ATOM 914 CB CYS A 66 -0.175 4.539 14.311 1.00 63.45 C ATOM 915 SG CYS A 66 0.862 3.610 15.464 1.00 51.24 S ATOM 0 H CYS A 66 -1.663 2.842 15.230 1.00 33.45 H new ATOM 0 HA CYS A 66 -1.435 5.665 15.639 1.00 65.32 H new ATOM 0 HB2 CYS A 66 -0.305 3.954 13.401 1.00 63.45 H new ATOM 0 HB3 CYS A 66 0.342 5.456 14.029 1.00 63.45 H new ATOM 0 HG CYS A 66 2.006 3.349 14.905 1.00 51.24 H new ATOM 921 N PRO A 67 -2.869 6.743 13.886 1.00 62.33 N ATOM 922 CA PRO A 67 -3.832 7.363 12.961 1.00 23.01 C ATOM 923 C PRO A 67 -3.211 7.741 11.608 1.00 0.54 C ATOM 924 O PRO A 67 -3.599 8.733 10.990 1.00 31.22 O ATOM 925 CB PRO A 67 -4.274 8.615 13.729 1.00 70.04 C ATOM 926 CG PRO A 67 -3.081 8.993 14.542 1.00 53.32 C ATOM 927 CD PRO A 67 -2.412 7.696 14.924 1.00 75.33 C ATOM 0 HA PRO A 67 -4.645 6.686 12.699 1.00 23.01 H new ATOM 0 HB2 PRO A 67 -4.562 9.417 13.049 1.00 70.04 H new ATOM 0 HB3 PRO A 67 -5.137 8.409 14.362 1.00 70.04 H new ATOM 0 HG2 PRO A 67 -2.404 9.628 13.970 1.00 53.32 H new ATOM 0 HG3 PRO A 67 -3.375 9.556 15.428 1.00 53.32 H new ATOM 0 HD2 PRO A 67 -1.326 7.792 14.928 1.00 75.33 H new ATOM 0 HD3 PRO A 67 -2.707 7.372 15.922 1.00 75.33 H new ATOM 935 N LEU A 68 -2.270 6.926 11.136 1.00 72.54 N ATOM 936 CA LEU A 68 -1.585 7.178 9.867 1.00 65.14 C ATOM 937 C LEU A 68 -2.215 6.356 8.740 1.00 71.24 C ATOM 938 O LEU A 68 -1.646 6.247 7.651 1.00 13.20 O ATOM 939 CB LEU A 68 -0.080 6.852 9.974 1.00 32.11 C ATOM 940 CG LEU A 68 0.763 7.819 10.830 1.00 13.12 C ATOM 941 CD1 LEU A 68 0.379 7.737 12.305 1.00 73.23 C ATOM 942 CD2 LEU A 68 2.253 7.537 10.641 1.00 34.32 C ATOM 0 H LEU A 68 -1.962 6.080 11.616 1.00 72.54 H new ATOM 0 HA LEU A 68 -1.695 8.238 9.637 1.00 65.14 H new ATOM 0 HB2 LEU A 68 0.025 5.848 10.385 1.00 32.11 H new ATOM 0 HB3 LEU A 68 0.339 6.830 8.968 1.00 32.11 H new ATOM 0 HG LEU A 68 0.555 8.834 10.492 1.00 13.12 H new ATOM 0 HD11 LEU A 68 0.992 8.431 12.880 1.00 73.23 H new ATOM 0 HD12 LEU A 68 -0.673 7.999 12.422 1.00 73.23 H new ATOM 0 HD13 LEU A 68 0.543 6.722 12.668 1.00 73.23 H new ATOM 0 HD21 LEU A 68 2.834 8.228 11.252 1.00 34.32 H new ATOM 0 HD22 LEU A 68 2.471 6.513 10.944 1.00 34.32 H new ATOM 0 HD23 LEU A 68 2.518 7.669 9.592 1.00 34.32 H new ATOM 954 N THR A 69 -3.398 5.799 8.999 1.00 11.34 N ATOM 955 CA THR A 69 -4.087 4.957 8.024 1.00 64.23 C ATOM 956 C THR A 69 -4.274 5.688 6.692 1.00 50.35 C ATOM 957 O THR A 69 -3.839 5.208 5.640 1.00 71.45 O ATOM 958 CB THR A 69 -5.460 4.464 8.568 1.00 2.14 C ATOM 959 OG1 THR A 69 -6.164 3.711 7.569 1.00 13.24 O ATOM 960 CG2 THR A 69 -6.334 5.621 9.038 1.00 64.02 C ATOM 0 H THR A 69 -3.900 5.917 9.879 1.00 11.34 H new ATOM 0 HA THR A 69 -3.457 4.085 7.850 1.00 64.23 H new ATOM 0 HB THR A 69 -5.249 3.824 9.424 1.00 2.14 H new ATOM 0 HG1 THR A 69 -6.449 2.853 7.947 1.00 13.24 H new ATOM 0 HG21 THR A 69 -7.282 5.233 9.410 1.00 64.02 H new ATOM 0 HG22 THR A 69 -5.825 6.161 9.836 1.00 64.02 H new ATOM 0 HG23 THR A 69 -6.521 6.298 8.204 1.00 64.02 H new ATOM 968 N ASP A 70 -4.876 6.872 6.743 1.00 70.13 N ATOM 969 CA ASP A 70 -5.187 7.625 5.532 1.00 73.14 C ATOM 970 C ASP A 70 -3.902 8.056 4.835 1.00 75.25 C ATOM 971 O ASP A 70 -3.863 8.205 3.615 1.00 54.25 O ATOM 972 CB ASP A 70 -6.052 8.847 5.872 1.00 64.24 C ATOM 973 CG ASP A 70 -6.479 9.629 4.639 1.00 33.01 C ATOM 974 OD1 ASP A 70 -5.861 10.679 4.346 1.00 2.52 O ATOM 975 OD2 ASP A 70 -7.445 9.208 3.966 1.00 33.13 O ATOM 0 H ASP A 70 -5.158 7.331 7.609 1.00 70.13 H new ATOM 0 HA ASP A 70 -5.749 6.983 4.854 1.00 73.14 H new ATOM 0 HB2 ASP A 70 -6.939 8.519 6.414 1.00 64.24 H new ATOM 0 HB3 ASP A 70 -5.496 9.505 6.540 1.00 64.24 H new ATOM 980 N VAL A 71 -2.839 8.216 5.619 1.00 64.53 N ATOM 981 CA VAL A 71 -1.550 8.643 5.090 1.00 4.35 C ATOM 982 C VAL A 71 -0.919 7.535 4.245 1.00 14.32 C ATOM 983 O VAL A 71 -0.571 7.760 3.085 1.00 32.34 O ATOM 984 CB VAL A 71 -0.578 9.045 6.226 1.00 15.52 C ATOM 985 CG1 VAL A 71 0.759 9.526 5.661 1.00 33.42 C ATOM 986 CG2 VAL A 71 -1.208 10.111 7.121 1.00 32.13 C ATOM 0 H VAL A 71 -2.847 8.055 6.626 1.00 64.53 H new ATOM 0 HA VAL A 71 -1.730 9.516 4.463 1.00 4.35 H new ATOM 0 HB VAL A 71 -0.383 8.161 6.834 1.00 15.52 H new ATOM 0 HG11 VAL A 71 1.422 9.802 6.481 1.00 33.42 H new ATOM 0 HG12 VAL A 71 1.216 8.727 5.078 1.00 33.42 H new ATOM 0 HG13 VAL A 71 0.593 10.393 5.021 1.00 33.42 H new ATOM 0 HG21 VAL A 71 -0.509 10.380 7.913 1.00 32.13 H new ATOM 0 HG22 VAL A 71 -1.440 10.994 6.526 1.00 32.13 H new ATOM 0 HG23 VAL A 71 -2.124 9.720 7.563 1.00 32.13 H new ATOM 996 N ILE A 72 -0.808 6.331 4.813 1.00 21.50 N ATOM 997 CA ILE A 72 -0.216 5.199 4.097 1.00 44.54 C ATOM 998 C ILE A 72 -1.072 4.834 2.883 1.00 45.00 C ATOM 999 O ILE A 72 -0.546 4.514 1.811 1.00 41.01 O ATOM 1000 CB ILE A 72 0.013 3.967 5.028 1.00 53.24 C ATOM 1001 CG1 ILE A 72 -1.298 3.456 5.665 1.00 5.51 C ATOM 1002 CG2 ILE A 72 1.030 4.316 6.117 1.00 42.32 C ATOM 1003 CD1 ILE A 72 -2.088 2.505 4.787 1.00 54.12 C ATOM 0 H ILE A 72 -1.118 6.116 5.761 1.00 21.50 H new ATOM 0 HA ILE A 72 0.769 5.506 3.745 1.00 44.54 H new ATOM 0 HB ILE A 72 0.402 3.160 4.407 1.00 53.24 H new ATOM 0 HG12 ILE A 72 -1.061 2.954 6.603 1.00 5.51 H new ATOM 0 HG13 ILE A 72 -1.927 4.312 5.911 1.00 5.51 H new ATOM 0 HG21 ILE A 72 1.184 3.451 6.762 1.00 42.32 H new ATOM 0 HG22 ILE A 72 1.976 4.597 5.655 1.00 42.32 H new ATOM 0 HG23 ILE A 72 0.655 5.149 6.711 1.00 42.32 H new ATOM 0 HD11 ILE A 72 -2.993 2.194 5.309 1.00 54.12 H new ATOM 0 HD12 ILE A 72 -2.359 3.007 3.859 1.00 54.12 H new ATOM 0 HD13 ILE A 72 -1.480 1.629 4.561 1.00 54.12 H new ATOM 1015 N GLU A 73 -2.394 4.922 3.047 1.00 15.14 N ATOM 1016 CA GLU A 73 -3.318 4.673 1.942 1.00 4.31 C ATOM 1017 C GLU A 73 -3.143 5.724 0.852 1.00 64.41 C ATOM 1018 O GLU A 73 -3.133 5.400 -0.337 1.00 25.40 O ATOM 1019 CB GLU A 73 -4.771 4.659 2.435 1.00 2.22 C ATOM 1020 CG GLU A 73 -5.089 3.491 3.361 1.00 13.24 C ATOM 1021 CD GLU A 73 -6.566 3.390 3.696 1.00 0.33 C ATOM 1022 OE1 GLU A 73 -7.335 2.896 2.846 1.00 70.30 O ATOM 1023 OE2 GLU A 73 -6.966 3.803 4.809 1.00 4.20 O ATOM 0 H GLU A 73 -2.845 5.162 3.930 1.00 15.14 H new ATOM 0 HA GLU A 73 -3.088 3.693 1.525 1.00 4.31 H new ATOM 0 HB2 GLU A 73 -4.978 5.593 2.958 1.00 2.22 H new ATOM 0 HB3 GLU A 73 -5.438 4.621 1.574 1.00 2.22 H new ATOM 0 HG2 GLU A 73 -4.763 2.563 2.892 1.00 13.24 H new ATOM 0 HG3 GLU A 73 -4.519 3.599 4.284 1.00 13.24 H new ATOM 1030 N ASP A 74 -2.992 6.979 1.268 1.00 41.23 N ATOM 1031 CA ASP A 74 -2.804 8.087 0.335 1.00 34.21 C ATOM 1032 C ASP A 74 -1.555 7.855 -0.507 1.00 23.52 C ATOM 1033 O ASP A 74 -1.592 7.965 -1.733 1.00 1.22 O ATOM 1034 CB ASP A 74 -2.689 9.421 1.087 1.00 50.40 C ATOM 1035 CG ASP A 74 -2.662 10.626 0.156 1.00 11.53 C ATOM 1036 OD1 ASP A 74 -1.578 10.972 -0.361 1.00 0.24 O ATOM 1037 OD2 ASP A 74 -3.729 11.247 -0.049 1.00 64.11 O ATOM 0 H ASP A 74 -2.996 7.255 2.250 1.00 41.23 H new ATOM 0 HA ASP A 74 -3.674 8.135 -0.320 1.00 34.21 H new ATOM 0 HB2 ASP A 74 -3.529 9.518 1.775 1.00 50.40 H new ATOM 0 HB3 ASP A 74 -1.782 9.415 1.691 1.00 50.40 H new ATOM 1042 N GLN A 75 -0.457 7.508 0.165 1.00 44.21 N ATOM 1043 CA GLN A 75 0.812 7.252 -0.513 1.00 53.04 C ATOM 1044 C GLN A 75 0.657 6.102 -1.505 1.00 53.24 C ATOM 1045 O GLN A 75 1.089 6.191 -2.657 1.00 73.43 O ATOM 1046 CB GLN A 75 1.920 6.914 0.497 1.00 14.30 C ATOM 1047 CG GLN A 75 2.094 7.933 1.621 1.00 50.24 C ATOM 1048 CD GLN A 75 2.215 9.363 1.121 1.00 32.13 C ATOM 1049 OE1 GLN A 75 3.305 9.841 0.825 1.00 70.44 O ATOM 1050 NE2 GLN A 75 1.091 10.064 1.040 1.00 42.25 N ATOM 0 H GLN A 75 -0.422 7.398 1.178 1.00 44.21 H new ATOM 0 HA GLN A 75 1.095 8.158 -1.048 1.00 53.04 H new ATOM 0 HB2 GLN A 75 1.706 5.941 0.938 1.00 14.30 H new ATOM 0 HB3 GLN A 75 2.865 6.820 -0.039 1.00 14.30 H new ATOM 0 HG2 GLN A 75 1.244 7.863 2.300 1.00 50.24 H new ATOM 0 HG3 GLN A 75 2.984 7.680 2.197 1.00 50.24 H new ATOM 0 HE21 GLN A 75 0.202 9.634 1.295 1.00 42.25 H new ATOM 0 HE22 GLN A 75 1.116 11.033 0.723 1.00 42.25 H new ATOM 1059 N SER A 76 0.026 5.023 -1.043 1.00 32.11 N ATOM 1060 CA SER A 76 -0.185 3.840 -1.867 1.00 11.35 C ATOM 1061 C SER A 76 -1.002 4.186 -3.117 1.00 53.23 C ATOM 1062 O SER A 76 -0.512 4.064 -4.243 1.00 12.44 O ATOM 1063 CB SER A 76 -0.893 2.750 -1.048 1.00 54.32 C ATOM 1064 OG SER A 76 -1.038 1.551 -1.789 1.00 45.24 O ATOM 0 H SER A 76 -0.349 4.947 -0.097 1.00 32.11 H new ATOM 0 HA SER A 76 0.786 3.465 -2.191 1.00 11.35 H new ATOM 0 HB2 SER A 76 -0.325 2.550 -0.139 1.00 54.32 H new ATOM 0 HB3 SER A 76 -1.875 3.107 -0.738 1.00 54.32 H new ATOM 0 HG SER A 76 -1.490 0.879 -1.238 1.00 45.24 H new ATOM 1070 N ARG A 77 -2.238 4.642 -2.909 1.00 51.41 N ATOM 1071 CA ARG A 77 -3.156 4.931 -4.014 1.00 23.15 C ATOM 1072 C ARG A 77 -2.560 5.942 -4.994 1.00 75.22 C ATOM 1073 O ARG A 77 -2.642 5.751 -6.208 1.00 10.31 O ATOM 1074 CB ARG A 77 -4.505 5.447 -3.484 1.00 12.14 C ATOM 1075 CG ARG A 77 -4.425 6.808 -2.800 1.00 10.21 C ATOM 1076 CD ARG A 77 -5.758 7.233 -2.202 1.00 14.24 C ATOM 1077 NE ARG A 77 -5.668 8.551 -1.569 1.00 52.43 N ATOM 1078 CZ ARG A 77 -6.395 8.933 -0.518 1.00 52.14 C ATOM 1079 NH1 ARG A 77 -7.273 8.104 0.036 1.00 4.24 N ATOM 1080 NH2 ARG A 77 -6.233 10.148 -0.006 1.00 62.13 N ATOM 0 H ARG A 77 -2.628 4.820 -1.983 1.00 51.41 H new ATOM 0 HA ARG A 77 -3.319 3.996 -4.549 1.00 23.15 H new ATOM 0 HB2 ARG A 77 -5.209 5.510 -4.314 1.00 12.14 H new ATOM 0 HB3 ARG A 77 -4.908 4.721 -2.778 1.00 12.14 H new ATOM 0 HG2 ARG A 77 -3.671 6.773 -2.014 1.00 10.21 H new ATOM 0 HG3 ARG A 77 -4.098 7.556 -3.522 1.00 10.21 H new ATOM 0 HD2 ARG A 77 -6.518 7.255 -2.983 1.00 14.24 H new ATOM 0 HD3 ARG A 77 -6.079 6.496 -1.466 1.00 14.24 H new ATOM 0 HE ARG A 77 -5.005 9.221 -1.958 1.00 52.43 H new ATOM 0 HH11 ARG A 77 -7.396 7.165 -0.342 1.00 4.24 H new ATOM 0 HH12 ARG A 77 -7.824 8.407 0.839 1.00 4.24 H new ATOM 0 HH21 ARG A 77 -5.553 10.788 -0.417 1.00 62.13 H new ATOM 0 HH22 ARG A 77 -6.789 10.441 0.798 1.00 62.13 H new ATOM 1094 N SER A 78 -1.942 6.999 -4.467 1.00 13.21 N ATOM 1095 CA SER A 78 -1.431 8.087 -5.297 1.00 25.13 C ATOM 1096 C SER A 78 -0.390 7.566 -6.288 1.00 50.30 C ATOM 1097 O SER A 78 -0.386 7.952 -7.459 1.00 14.25 O ATOM 1098 CB SER A 78 -0.835 9.198 -4.419 1.00 72.35 C ATOM 1099 OG SER A 78 -0.624 10.391 -5.157 1.00 63.03 O ATOM 0 H SER A 78 -1.784 7.124 -3.467 1.00 13.21 H new ATOM 0 HA SER A 78 -2.262 8.506 -5.865 1.00 25.13 H new ATOM 0 HB2 SER A 78 -1.505 9.400 -3.583 1.00 72.35 H new ATOM 0 HB3 SER A 78 0.111 8.860 -3.995 1.00 72.35 H new ATOM 0 HG SER A 78 -0.246 11.077 -4.568 1.00 63.03 H new ATOM 1105 N ALA A 79 0.488 6.682 -5.819 1.00 44.12 N ATOM 1106 CA ALA A 79 1.518 6.112 -6.677 1.00 15.53 C ATOM 1107 C ALA A 79 0.915 5.084 -7.634 1.00 15.03 C ATOM 1108 O ALA A 79 1.079 5.183 -8.849 1.00 4.43 O ATOM 1109 CB ALA A 79 2.620 5.481 -5.833 1.00 62.05 C ATOM 0 H ALA A 79 0.505 6.348 -4.855 1.00 44.12 H new ATOM 0 HA ALA A 79 1.955 6.914 -7.273 1.00 15.53 H new ATOM 0 HB1 ALA A 79 3.383 5.059 -6.487 1.00 62.05 H new ATOM 0 HB2 ALA A 79 3.070 6.241 -5.194 1.00 62.05 H new ATOM 0 HB3 ALA A 79 2.196 4.691 -5.213 1.00 62.05 H new ATOM 1115 N LEU A 80 0.151 4.141 -7.080 1.00 4.42 N ATOM 1116 CA LEU A 80 -0.399 3.028 -7.860 1.00 60.03 C ATOM 1117 C LEU A 80 -1.232 3.532 -9.037 1.00 24.44 C ATOM 1118 O LEU A 80 -1.199 2.950 -10.127 1.00 72.33 O ATOM 1119 CB LEU A 80 -1.240 2.109 -6.960 1.00 35.24 C ATOM 1120 CG LEU A 80 -0.445 1.341 -5.887 1.00 40.12 C ATOM 1121 CD1 LEU A 80 -1.373 0.476 -5.040 1.00 0.45 C ATOM 1122 CD2 LEU A 80 0.651 0.490 -6.529 1.00 24.45 C ATOM 0 H LEU A 80 -0.102 4.125 -6.092 1.00 4.42 H new ATOM 0 HA LEU A 80 0.436 2.456 -8.264 1.00 60.03 H new ATOM 0 HB2 LEU A 80 -2.003 2.710 -6.465 1.00 35.24 H new ATOM 0 HB3 LEU A 80 -1.762 1.388 -7.589 1.00 35.24 H new ATOM 0 HG LEU A 80 0.031 2.071 -5.232 1.00 40.12 H new ATOM 0 HD11 LEU A 80 -0.789 -0.057 -4.289 1.00 0.45 H new ATOM 0 HD12 LEU A 80 -2.109 1.109 -4.545 1.00 0.45 H new ATOM 0 HD13 LEU A 80 -1.884 -0.243 -5.680 1.00 0.45 H new ATOM 0 HD21 LEU A 80 1.199 -0.043 -5.752 1.00 24.45 H new ATOM 0 HD22 LEU A 80 0.200 -0.229 -7.213 1.00 24.45 H new ATOM 0 HD23 LEU A 80 1.336 1.134 -7.080 1.00 24.45 H new ATOM 1134 N VAL A 81 -1.966 4.618 -8.819 1.00 54.12 N ATOM 1135 CA VAL A 81 -2.771 5.224 -9.875 1.00 34.42 C ATOM 1136 C VAL A 81 -1.879 5.999 -10.844 1.00 13.15 C ATOM 1137 O VAL A 81 -2.190 6.122 -12.030 1.00 11.41 O ATOM 1138 CB VAL A 81 -3.868 6.158 -9.308 1.00 12.04 C ATOM 1139 CG1 VAL A 81 -3.272 7.438 -8.721 1.00 54.21 C ATOM 1140 CG2 VAL A 81 -4.919 6.477 -10.374 1.00 63.32 C ATOM 0 H VAL A 81 -2.020 5.097 -7.920 1.00 54.12 H new ATOM 0 HA VAL A 81 -3.269 4.413 -10.407 1.00 34.42 H new ATOM 0 HB VAL A 81 -4.362 5.628 -8.494 1.00 12.04 H new ATOM 0 HG11 VAL A 81 -4.073 8.068 -8.333 1.00 54.21 H new ATOM 0 HG12 VAL A 81 -2.587 7.183 -7.912 1.00 54.21 H new ATOM 0 HG13 VAL A 81 -2.731 7.977 -9.498 1.00 54.21 H new ATOM 0 HG21 VAL A 81 -5.678 7.135 -9.951 1.00 63.32 H new ATOM 0 HG22 VAL A 81 -4.441 6.972 -11.220 1.00 63.32 H new ATOM 0 HG23 VAL A 81 -5.387 5.552 -10.712 1.00 63.32 H new ATOM 1150 N GLY A 82 -0.749 6.496 -10.333 1.00 42.44 N ATOM 1151 CA GLY A 82 0.169 7.254 -11.160 1.00 63.44 C ATOM 1152 C GLY A 82 0.893 6.346 -12.125 1.00 45.33 C ATOM 1153 O GLY A 82 1.181 6.721 -13.261 1.00 1.13 O ATOM 0 H GLY A 82 -0.458 6.385 -9.362 1.00 42.44 H new ATOM 0 HA2 GLY A 82 -0.378 8.018 -11.713 1.00 63.44 H new ATOM 0 HA3 GLY A 82 0.891 7.772 -10.529 1.00 63.44 H new ATOM 1157 N SER A 83 1.167 5.134 -11.662 1.00 52.21 N ATOM 1158 CA SER A 83 1.804 4.114 -12.484 1.00 41.12 C ATOM 1159 C SER A 83 0.765 3.418 -13.372 1.00 21.24 C ATOM 1160 O SER A 83 1.100 2.856 -14.415 1.00 50.05 O ATOM 1161 CB SER A 83 2.510 3.101 -11.579 1.00 40.24 C ATOM 1162 OG SER A 83 3.441 3.746 -10.726 1.00 64.21 O ATOM 0 H SER A 83 0.955 4.831 -10.711 1.00 52.21 H new ATOM 0 HA SER A 83 2.542 4.583 -13.135 1.00 41.12 H new ATOM 0 HB2 SER A 83 1.772 2.566 -10.980 1.00 40.24 H new ATOM 0 HB3 SER A 83 3.024 2.359 -12.189 1.00 40.24 H new ATOM 0 HG SER A 83 4.320 3.767 -11.158 1.00 64.21 H new ATOM 1168 N GLY A 84 -0.498 3.472 -12.946 1.00 51.11 N ATOM 1169 CA GLY A 84 -1.594 2.929 -13.740 1.00 12.14 C ATOM 1170 C GLY A 84 -1.770 1.429 -13.576 1.00 73.22 C ATOM 1171 O GLY A 84 -2.520 0.804 -14.329 1.00 33.04 O ATOM 0 H GLY A 84 -0.784 3.885 -12.058 1.00 51.11 H new ATOM 0 HA2 GLY A 84 -2.520 3.429 -13.458 1.00 12.14 H new ATOM 0 HA3 GLY A 84 -1.418 3.154 -14.792 1.00 12.14 H new ATOM 1175 N LEU A 85 -1.093 0.858 -12.579 1.00 41.34 N ATOM 1176 CA LEU A 85 -1.137 -0.588 -12.330 1.00 41.34 C ATOM 1177 C LEU A 85 -2.558 -1.063 -12.028 1.00 5.44 C ATOM 1178 O LEU A 85 -2.981 -2.119 -12.503 1.00 33.05 O ATOM 1179 CB LEU A 85 -0.188 -0.967 -11.175 1.00 53.45 C ATOM 1180 CG LEU A 85 1.264 -1.293 -11.580 1.00 52.24 C ATOM 1181 CD1 LEU A 85 1.851 -0.207 -12.475 1.00 35.01 C ATOM 1182 CD2 LEU A 85 2.138 -1.490 -10.341 1.00 13.32 C ATOM 0 H LEU A 85 -0.504 1.376 -11.927 1.00 41.34 H new ATOM 0 HA LEU A 85 -0.804 -1.089 -13.239 1.00 41.34 H new ATOM 0 HB2 LEU A 85 -0.170 -0.145 -10.460 1.00 53.45 H new ATOM 0 HB3 LEU A 85 -0.604 -1.831 -10.657 1.00 53.45 H new ATOM 0 HG LEU A 85 1.246 -2.223 -12.149 1.00 52.24 H new ATOM 0 HD11 LEU A 85 2.875 -0.469 -12.741 1.00 35.01 H new ATOM 0 HD12 LEU A 85 1.252 -0.119 -13.381 1.00 35.01 H new ATOM 0 HD13 LEU A 85 1.847 0.744 -11.943 1.00 35.01 H new ATOM 0 HD21 LEU A 85 3.158 -1.719 -10.648 1.00 13.32 H new ATOM 0 HD22 LEU A 85 2.135 -0.578 -9.745 1.00 13.32 H new ATOM 0 HD23 LEU A 85 1.745 -2.314 -9.746 1.00 13.32 H new ATOM 1194 N VAL A 86 -3.291 -0.279 -11.243 1.00 34.21 N ATOM 1195 CA VAL A 86 -4.658 -0.631 -10.859 1.00 15.14 C ATOM 1196 C VAL A 86 -5.577 0.580 -10.962 1.00 53.22 C ATOM 1197 O VAL A 86 -5.115 1.708 -11.145 1.00 41.24 O ATOM 1198 CB VAL A 86 -4.727 -1.209 -9.423 1.00 3.23 C ATOM 1199 CG1 VAL A 86 -4.014 -2.559 -9.345 1.00 70.44 C ATOM 1200 CG2 VAL A 86 -4.142 -0.223 -8.412 1.00 13.54 C ATOM 0 H VAL A 86 -2.962 0.607 -10.859 1.00 34.21 H new ATOM 0 HA VAL A 86 -4.992 -1.402 -11.553 1.00 15.14 H new ATOM 0 HB VAL A 86 -5.776 -1.367 -9.171 1.00 3.23 H new ATOM 0 HG11 VAL A 86 -4.076 -2.945 -8.327 1.00 70.44 H new ATOM 0 HG12 VAL A 86 -4.490 -3.262 -10.029 1.00 70.44 H new ATOM 0 HG13 VAL A 86 -2.967 -2.434 -9.623 1.00 70.44 H new ATOM 0 HG21 VAL A 86 -4.201 -0.650 -7.411 1.00 13.54 H new ATOM 0 HG22 VAL A 86 -3.100 -0.023 -8.660 1.00 13.54 H new ATOM 0 HG23 VAL A 86 -4.707 0.708 -8.443 1.00 13.54 H new ATOM 1210 N ASP A 87 -6.877 0.333 -10.833 1.00 62.45 N ATOM 1211 CA ASP A 87 -7.890 1.379 -10.973 1.00 14.53 C ATOM 1212 C ASP A 87 -8.293 1.921 -9.602 1.00 61.01 C ATOM 1213 O ASP A 87 -8.515 3.122 -9.433 1.00 12.21 O ATOM 1214 CB ASP A 87 -9.114 0.814 -11.708 1.00 60.11 C ATOM 1215 CG ASP A 87 -10.174 1.865 -11.994 1.00 43.43 C ATOM 1216 OD1 ASP A 87 -11.172 1.937 -11.246 1.00 13.12 O ATOM 1217 OD2 ASP A 87 -10.017 2.619 -12.976 1.00 24.43 O ATOM 0 H ASP A 87 -7.258 -0.591 -10.630 1.00 62.45 H new ATOM 0 HA ASP A 87 -7.474 2.202 -11.554 1.00 14.53 H new ATOM 0 HB2 ASP A 87 -8.791 0.366 -12.648 1.00 60.11 H new ATOM 0 HB3 ASP A 87 -9.554 0.016 -11.109 1.00 60.11 H new ATOM 1222 N ASP A 88 -8.375 1.021 -8.627 1.00 62.31 N ATOM 1223 CA ASP A 88 -8.724 1.377 -7.251 1.00 22.31 C ATOM 1224 C ASP A 88 -7.962 0.469 -6.285 1.00 3.12 C ATOM 1225 O ASP A 88 -7.421 -0.562 -6.699 1.00 63.11 O ATOM 1226 CB ASP A 88 -10.243 1.246 -7.037 1.00 53.02 C ATOM 1227 CG ASP A 88 -10.685 1.566 -5.611 1.00 1.40 C ATOM 1228 OD1 ASP A 88 -10.243 2.596 -5.060 1.00 13.23 O ATOM 1229 OD2 ASP A 88 -11.498 0.800 -5.043 1.00 2.25 O ATOM 0 H ASP A 88 -8.202 0.025 -8.766 1.00 62.31 H new ATOM 0 HA ASP A 88 -8.443 2.413 -7.061 1.00 22.31 H new ATOM 0 HB2 ASP A 88 -10.758 1.914 -7.728 1.00 53.02 H new ATOM 0 HB3 ASP A 88 -10.551 0.230 -7.286 1.00 53.02 H new ATOM 1234 N ILE A 89 -7.898 0.848 -5.013 1.00 44.40 N ATOM 1235 CA ILE A 89 -7.222 0.030 -4.009 1.00 65.41 C ATOM 1236 C ILE A 89 -8.053 -0.047 -2.735 1.00 24.15 C ATOM 1237 O ILE A 89 -9.064 0.637 -2.592 1.00 71.42 O ATOM 1238 CB ILE A 89 -5.804 0.556 -3.643 1.00 40.21 C ATOM 1239 CG1 ILE A 89 -5.892 1.863 -2.836 1.00 62.14 C ATOM 1240 CG2 ILE A 89 -4.956 0.755 -4.900 1.00 10.01 C ATOM 1241 CD1 ILE A 89 -4.598 2.233 -2.139 1.00 21.53 C ATOM 0 H ILE A 89 -8.303 1.712 -4.653 1.00 44.40 H new ATOM 0 HA ILE A 89 -7.109 -0.957 -4.457 1.00 65.41 H new ATOM 0 HB ILE A 89 -5.319 -0.195 -3.019 1.00 40.21 H new ATOM 0 HG12 ILE A 89 -6.180 2.674 -3.504 1.00 62.14 H new ATOM 0 HG13 ILE A 89 -6.682 1.768 -2.091 1.00 62.14 H new ATOM 0 HG21 ILE A 89 -3.969 1.123 -4.619 1.00 10.01 H new ATOM 0 HG22 ILE A 89 -4.853 -0.195 -5.424 1.00 10.01 H new ATOM 0 HG23 ILE A 89 -5.440 1.479 -5.555 1.00 10.01 H new ATOM 0 HD11 ILE A 89 -4.734 3.165 -1.590 1.00 21.53 H new ATOM 0 HD12 ILE A 89 -4.319 1.440 -1.445 1.00 21.53 H new ATOM 0 HD13 ILE A 89 -3.809 2.361 -2.880 1.00 21.53 H new ATOM 1253 N ARG A 90 -7.609 -0.886 -1.815 1.00 70.12 N ATOM 1254 CA ARG A 90 -8.250 -1.032 -0.522 1.00 15.11 C ATOM 1255 C ARG A 90 -7.279 -1.677 0.458 1.00 14.21 C ATOM 1256 O ARG A 90 -6.996 -2.870 0.362 1.00 41.00 O ATOM 1257 CB ARG A 90 -9.500 -1.902 -0.646 1.00 2.40 C ATOM 1258 CG ARG A 90 -10.151 -2.247 0.688 1.00 33.35 C ATOM 1259 CD ARG A 90 -10.924 -1.078 1.291 1.00 11.03 C ATOM 1260 NE ARG A 90 -10.079 -0.047 1.904 1.00 31.34 N ATOM 1261 CZ ARG A 90 -10.567 0.988 2.600 1.00 61.32 C ATOM 1262 NH1 ARG A 90 -11.874 1.094 2.813 1.00 45.01 N ATOM 1263 NH2 ARG A 90 -9.752 1.907 3.097 1.00 2.30 N ATOM 0 H ARG A 90 -6.794 -1.485 -1.945 1.00 70.12 H new ATOM 0 HA ARG A 90 -8.539 -0.046 -0.158 1.00 15.11 H new ATOM 0 HB2 ARG A 90 -10.229 -1.386 -1.271 1.00 2.40 H new ATOM 0 HB3 ARG A 90 -9.237 -2.827 -1.160 1.00 2.40 H new ATOM 0 HG2 ARG A 90 -10.827 -3.090 0.549 1.00 33.35 H new ATOM 0 HG3 ARG A 90 -9.381 -2.568 1.390 1.00 33.35 H new ATOM 0 HD2 ARG A 90 -11.530 -0.618 0.511 1.00 11.03 H new ATOM 0 HD3 ARG A 90 -11.612 -1.462 2.044 1.00 11.03 H new ATOM 0 HE ARG A 90 -9.068 -0.122 1.794 1.00 31.34 H new ATOM 0 HH11 ARG A 90 -12.510 0.386 2.446 1.00 45.01 H new ATOM 0 HH12 ARG A 90 -12.242 1.884 3.344 1.00 45.01 H new ATOM 0 HH21 ARG A 90 -8.746 1.829 2.951 1.00 2.30 H new ATOM 0 HH22 ARG A 90 -10.131 2.692 3.626 1.00 2.30 H new ATOM 1277 N ILE A 91 -6.756 -0.895 1.389 1.00 74.24 N ATOM 1278 CA ILE A 91 -5.884 -1.435 2.421 1.00 52.31 C ATOM 1279 C ILE A 91 -6.709 -1.849 3.639 1.00 21.23 C ATOM 1280 O ILE A 91 -7.272 -1.006 4.334 1.00 21.54 O ATOM 1281 CB ILE A 91 -4.783 -0.420 2.817 1.00 14.23 C ATOM 1282 CG1 ILE A 91 -3.906 -0.111 1.588 1.00 62.30 C ATOM 1283 CG2 ILE A 91 -3.939 -0.956 3.976 1.00 14.50 C ATOM 1284 CD1 ILE A 91 -2.781 0.867 1.851 1.00 32.53 C ATOM 0 H ILE A 91 -6.918 0.110 1.452 1.00 74.24 H new ATOM 0 HA ILE A 91 -5.384 -2.317 2.020 1.00 52.31 H new ATOM 0 HB ILE A 91 -5.253 0.503 3.156 1.00 14.23 H new ATOM 0 HG12 ILE A 91 -3.481 -1.044 1.217 1.00 62.30 H new ATOM 0 HG13 ILE A 91 -4.540 0.288 0.796 1.00 62.30 H new ATOM 0 HG21 ILE A 91 -3.173 -0.226 4.236 1.00 14.50 H new ATOM 0 HG22 ILE A 91 -4.579 -1.134 4.840 1.00 14.50 H new ATOM 0 HG23 ILE A 91 -3.463 -1.890 3.678 1.00 14.50 H new ATOM 0 HD11 ILE A 91 -2.215 1.027 0.933 1.00 32.53 H new ATOM 0 HD12 ILE A 91 -3.196 1.816 2.191 1.00 32.53 H new ATOM 0 HD13 ILE A 91 -2.120 0.464 2.619 1.00 32.53 H new ATOM 1296 N ASN A 92 -6.795 -3.158 3.861 1.00 33.10 N ATOM 1297 CA ASN A 92 -7.579 -3.720 4.956 1.00 15.12 C ATOM 1298 C ASN A 92 -6.728 -3.819 6.214 1.00 53.33 C ATOM 1299 O ASN A 92 -5.646 -4.408 6.201 1.00 20.24 O ATOM 1300 CB ASN A 92 -8.110 -5.107 4.569 1.00 15.33 C ATOM 1301 CG ASN A 92 -8.862 -5.802 5.699 1.00 1.53 C ATOM 1302 OD1 ASN A 92 -10.080 -5.678 5.826 1.00 72.42 O ATOM 1303 ND2 ASN A 92 -8.146 -6.566 6.508 1.00 42.25 N ATOM 0 H ASN A 92 -6.324 -3.858 3.288 1.00 33.10 H new ATOM 0 HA ASN A 92 -8.425 -3.062 5.154 1.00 15.12 H new ATOM 0 HB2 ASN A 92 -8.772 -5.008 3.709 1.00 15.33 H new ATOM 0 HB3 ASN A 92 -7.275 -5.734 4.258 1.00 15.33 H new ATOM 0 HD21 ASN A 92 -8.602 -7.075 7.265 1.00 42.25 H new ATOM 0 HD22 ASN A 92 -7.138 -6.646 6.374 1.00 42.25 H new ATOM 1310 N TRP A 93 -7.214 -3.227 7.290 1.00 0.00 N ATOM 1311 CA TRP A 93 -6.495 -3.213 8.552 1.00 23.24 C ATOM 1312 C TRP A 93 -6.858 -4.418 9.400 1.00 41.14 C ATOM 1313 O TRP A 93 -7.998 -4.541 9.863 1.00 72.24 O ATOM 1314 CB TRP A 93 -6.795 -1.920 9.304 1.00 63.24 C ATOM 1315 CG TRP A 93 -6.263 -0.719 8.590 1.00 35.42 C ATOM 1316 CD1 TRP A 93 -6.948 0.138 7.775 1.00 35.01 C ATOM 1317 CD2 TRP A 93 -4.910 -0.268 8.606 1.00 2.54 C ATOM 1318 NE1 TRP A 93 -6.096 1.103 7.296 1.00 11.23 N ATOM 1319 CE2 TRP A 93 -4.842 0.873 7.793 1.00 63.44 C ATOM 1320 CE3 TRP A 93 -3.751 -0.720 9.237 1.00 33.41 C ATOM 1321 CZ2 TRP A 93 -3.657 1.568 7.596 1.00 13.12 C ATOM 1322 CZ3 TRP A 93 -2.574 -0.030 9.038 1.00 73.24 C ATOM 1323 CH2 TRP A 93 -2.534 1.105 8.224 1.00 34.53 C ATOM 0 H TRP A 93 -8.113 -2.745 7.315 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.427 -3.263 8.342 1.00 23.24 H new ATOM 0 HB2 TRP A 93 -7.873 -1.817 9.432 1.00 63.24 H new ATOM 0 HB3 TRP A 93 -6.358 -1.971 10.301 1.00 63.24 H new ATOM 0 HD1 TRP A 93 -8.000 0.067 7.543 1.00 35.01 H new ATOM 0 HE1 TRP A 93 -6.356 1.867 6.672 1.00 11.23 H new ATOM 0 HE3 TRP A 93 -3.775 -1.595 9.870 1.00 33.41 H new ATOM 0 HZ2 TRP A 93 -3.623 2.446 6.967 1.00 13.12 H new ATOM 0 HZ3 TRP A 93 -1.669 -0.372 9.519 1.00 73.24 H new ATOM 0 HH2 TRP A 93 -1.598 1.627 8.088 1.00 34.53 H new ATOM 1334 N VAL A 94 -5.893 -5.309 9.604 1.00 71.11 N ATOM 1335 CA VAL A 94 -6.115 -6.474 10.452 1.00 4.12 C ATOM 1336 C VAL A 94 -5.493 -6.229 11.819 1.00 13.23 C ATOM 1337 O VAL A 94 -4.307 -5.927 11.924 1.00 35.11 O ATOM 1338 CB VAL A 94 -5.510 -7.772 9.859 1.00 10.43 C ATOM 1339 CG1 VAL A 94 -6.073 -9.005 10.566 1.00 25.22 C ATOM 1340 CG2 VAL A 94 -5.738 -7.848 8.350 1.00 74.24 C ATOM 0 H VAL A 94 -4.959 -5.248 9.198 1.00 71.11 H new ATOM 0 HA VAL A 94 -7.194 -6.613 10.527 1.00 4.12 H new ATOM 0 HB VAL A 94 -4.433 -7.750 10.028 1.00 10.43 H new ATOM 0 HG11 VAL A 94 -5.635 -9.904 10.134 1.00 25.22 H new ATOM 0 HG12 VAL A 94 -5.831 -8.958 11.628 1.00 25.22 H new ATOM 0 HG13 VAL A 94 -7.155 -9.033 10.441 1.00 25.22 H new ATOM 0 HG21 VAL A 94 -5.303 -8.769 7.962 1.00 74.24 H new ATOM 0 HG22 VAL A 94 -6.808 -7.837 8.143 1.00 74.24 H new ATOM 0 HG23 VAL A 94 -5.266 -6.992 7.867 1.00 74.24 H new ATOM 1350 N TRP A 95 -6.304 -6.343 12.856 1.00 2.22 N ATOM 1351 CA TRP A 95 -5.831 -6.195 14.232 1.00 11.45 C ATOM 1352 C TRP A 95 -6.721 -6.972 15.201 1.00 12.44 C ATOM 1353 O TRP A 95 -6.555 -6.871 16.418 1.00 4.14 O ATOM 1354 CB TRP A 95 -5.803 -4.707 14.614 1.00 42.03 C ATOM 1355 CG TRP A 95 -7.109 -4.007 14.366 1.00 32.51 C ATOM 1356 CD1 TRP A 95 -7.549 -3.493 13.179 1.00 25.43 C ATOM 1357 CD2 TRP A 95 -8.143 -3.744 15.323 1.00 22.22 C ATOM 1358 NE1 TRP A 95 -8.792 -2.939 13.337 1.00 55.12 N ATOM 1359 CE2 TRP A 95 -9.178 -3.076 14.644 1.00 31.04 C ATOM 1360 CE3 TRP A 95 -8.295 -4.012 16.685 1.00 21.31 C ATOM 1361 CZ2 TRP A 95 -10.347 -2.673 15.280 1.00 33.03 C ATOM 1362 CZ3 TRP A 95 -9.456 -3.610 17.317 1.00 10.22 C ATOM 1363 CH2 TRP A 95 -10.469 -2.947 16.614 1.00 12.14 C ATOM 0 H TRP A 95 -7.302 -6.539 12.776 1.00 2.22 H new ATOM 0 HA TRP A 95 -4.822 -6.603 14.298 1.00 11.45 H new ATOM 0 HB2 TRP A 95 -5.543 -4.614 15.668 1.00 42.03 H new ATOM 0 HB3 TRP A 95 -5.017 -4.208 14.047 1.00 42.03 H new ATOM 0 HD1 TRP A 95 -6.997 -3.520 12.251 1.00 25.43 H new ATOM 0 HE1 TRP A 95 -9.341 -2.496 12.600 1.00 55.12 H new ATOM 0 HE3 TRP A 95 -7.519 -4.524 17.234 1.00 21.31 H new ATOM 0 HZ2 TRP A 95 -11.130 -2.162 14.740 1.00 33.03 H new ATOM 0 HZ3 TRP A 95 -9.584 -3.810 18.370 1.00 10.22 H new ATOM 0 HH2 TRP A 95 -11.365 -2.646 17.136 1.00 12.14 H new ATOM 1374 N ASN A 96 -7.638 -7.771 14.649 1.00 24.41 N ATOM 1375 CA ASN A 96 -8.658 -8.468 15.447 1.00 12.22 C ATOM 1376 C ASN A 96 -9.698 -9.141 14.540 1.00 12.11 C ATOM 1377 O ASN A 96 -9.884 -10.356 14.615 1.00 72.12 O ATOM 1378 CB ASN A 96 -9.357 -7.504 16.432 1.00 50.51 C ATOM 1379 CG ASN A 96 -10.483 -8.163 17.216 1.00 14.34 C ATOM 1380 OD1 ASN A 96 -11.632 -8.192 16.772 1.00 74.43 O ATOM 1381 ND2 ASN A 96 -10.164 -8.683 18.390 1.00 72.42 N ATOM 0 H ASN A 96 -7.697 -7.954 13.647 1.00 24.41 H new ATOM 0 HA ASN A 96 -8.149 -9.238 16.026 1.00 12.22 H new ATOM 0 HB2 ASN A 96 -8.619 -7.110 17.130 1.00 50.51 H new ATOM 0 HB3 ASN A 96 -9.757 -6.655 15.878 1.00 50.51 H new ATOM 0 HD21 ASN A 96 -10.881 -9.128 18.962 1.00 72.42 H new ATOM 0 HD22 ASN A 96 -9.201 -8.639 18.723 1.00 72.42 H new ATOM 1388 N PRO A 97 -10.386 -8.376 13.655 1.00 24.31 N ATOM 1389 CA PRO A 97 -11.449 -8.927 12.815 1.00 13.31 C ATOM 1390 C PRO A 97 -10.908 -9.570 11.533 1.00 33.11 C ATOM 1391 O PRO A 97 -9.865 -9.159 11.018 1.00 43.10 O ATOM 1392 CB PRO A 97 -12.290 -7.690 12.493 1.00 31.52 C ATOM 1393 CG PRO A 97 -11.296 -6.577 12.417 1.00 42.14 C ATOM 1394 CD PRO A 97 -10.191 -6.926 13.389 1.00 60.11 C ATOM 0 HA PRO A 97 -12.002 -9.726 13.308 1.00 13.31 H new ATOM 0 HB2 PRO A 97 -12.827 -7.808 11.552 1.00 31.52 H new ATOM 0 HB3 PRO A 97 -13.037 -7.505 13.265 1.00 31.52 H new ATOM 0 HG2 PRO A 97 -10.905 -6.474 11.405 1.00 42.14 H new ATOM 0 HG3 PRO A 97 -11.758 -5.625 12.679 1.00 42.14 H new ATOM 0 HD2 PRO A 97 -9.208 -6.728 12.962 1.00 60.11 H new ATOM 0 HD3 PRO A 97 -10.266 -6.339 14.305 1.00 60.11 H new ATOM 1402 N PRO A 98 -11.605 -10.602 11.013 1.00 62.41 N ATOM 1403 CA PRO A 98 -11.242 -11.241 9.743 1.00 2.10 C ATOM 1404 C PRO A 98 -11.403 -10.285 8.557 1.00 62.32 C ATOM 1405 O PRO A 98 -12.024 -9.226 8.678 1.00 3.54 O ATOM 1406 CB PRO A 98 -12.225 -12.423 9.628 1.00 44.45 C ATOM 1407 CG PRO A 98 -12.785 -12.602 11.002 1.00 74.11 C ATOM 1408 CD PRO A 98 -12.783 -11.235 11.627 1.00 24.04 C ATOM 0 HA PRO A 98 -10.197 -11.550 9.725 1.00 2.10 H new ATOM 0 HB2 PRO A 98 -13.013 -12.211 8.906 1.00 44.45 H new ATOM 0 HB3 PRO A 98 -11.717 -13.326 9.289 1.00 44.45 H new ATOM 0 HG2 PRO A 98 -13.794 -13.012 10.962 1.00 74.11 H new ATOM 0 HG3 PRO A 98 -12.180 -13.298 11.583 1.00 74.11 H new ATOM 0 HD2 PRO A 98 -13.699 -10.687 11.406 1.00 24.04 H new ATOM 0 HD3 PRO A 98 -12.696 -11.286 12.712 1.00 24.04 H new ATOM 1416 N TRP A 99 -10.844 -10.666 7.416 1.00 30.14 N ATOM 1417 CA TRP A 99 -10.906 -9.840 6.215 1.00 15.35 C ATOM 1418 C TRP A 99 -12.356 -9.691 5.746 1.00 72.41 C ATOM 1419 O TRP A 99 -12.962 -10.657 5.281 1.00 72.22 O ATOM 1420 CB TRP A 99 -10.053 -10.469 5.105 1.00 62.51 C ATOM 1421 CG TRP A 99 -8.684 -10.873 5.569 1.00 13.32 C ATOM 1422 CD1 TRP A 99 -7.798 -10.103 6.262 1.00 10.41 C ATOM 1423 CD2 TRP A 99 -8.048 -12.142 5.373 1.00 1.50 C ATOM 1424 NE1 TRP A 99 -6.650 -10.813 6.508 1.00 55.11 N ATOM 1425 CE2 TRP A 99 -6.778 -12.066 5.975 1.00 44.45 C ATOM 1426 CE3 TRP A 99 -8.428 -13.334 4.752 1.00 73.10 C ATOM 1427 CZ2 TRP A 99 -5.885 -13.133 5.969 1.00 12.24 C ATOM 1428 CZ3 TRP A 99 -7.542 -14.394 4.747 1.00 71.01 C ATOM 1429 CH2 TRP A 99 -6.284 -14.290 5.355 1.00 64.42 C ATOM 0 H TRP A 99 -10.341 -11.545 7.296 1.00 30.14 H new ATOM 0 HA TRP A 99 -10.513 -8.850 6.447 1.00 15.35 H new ATOM 0 HB2 TRP A 99 -10.569 -11.344 4.711 1.00 62.51 H new ATOM 0 HB3 TRP A 99 -9.956 -9.759 4.283 1.00 62.51 H new ATOM 0 HD1 TRP A 99 -7.974 -9.084 6.572 1.00 10.41 H new ATOM 0 HE1 TRP A 99 -5.833 -10.463 7.008 1.00 55.11 H new ATOM 0 HE3 TRP A 99 -9.397 -13.425 4.284 1.00 73.10 H new ATOM 0 HZ2 TRP A 99 -4.913 -13.052 6.432 1.00 12.24 H new ATOM 0 HZ3 TRP A 99 -7.824 -15.319 4.266 1.00 71.01 H new ATOM 0 HH2 TRP A 99 -5.616 -15.139 5.339 1.00 64.42 H new ATOM 1440 N GLY A 100 -12.912 -8.490 5.886 1.00 13.40 N ATOM 1441 CA GLY A 100 -14.291 -8.259 5.486 1.00 52.53 C ATOM 1442 C GLY A 100 -14.616 -6.786 5.307 1.00 13.13 C ATOM 1443 O GLY A 100 -14.626 -6.289 4.181 1.00 42.34 O ATOM 0 H GLY A 100 -12.434 -7.674 6.268 1.00 13.40 H new ATOM 0 HA2 GLY A 100 -14.486 -8.785 4.551 1.00 52.53 H new ATOM 0 HA3 GLY A 100 -14.958 -8.684 6.236 1.00 52.53 H new ATOM 1447 N PRO A 101 -14.864 -6.052 6.408 1.00 25.44 N ATOM 1448 CA PRO A 101 -15.304 -4.646 6.348 1.00 65.15 C ATOM 1449 C PRO A 101 -14.277 -3.739 5.664 1.00 62.51 C ATOM 1450 O PRO A 101 -14.565 -3.109 4.640 1.00 25.41 O ATOM 1451 CB PRO A 101 -15.490 -4.257 7.828 1.00 61.01 C ATOM 1452 CG PRO A 101 -14.675 -5.248 8.595 1.00 51.25 C ATOM 1453 CD PRO A 101 -14.728 -6.525 7.802 1.00 44.21 C ATOM 0 HA PRO A 101 -16.211 -4.529 5.755 1.00 65.15 H new ATOM 0 HB2 PRO A 101 -15.150 -3.238 8.014 1.00 61.01 H new ATOM 0 HB3 PRO A 101 -16.540 -4.300 8.118 1.00 61.01 H new ATOM 0 HG2 PRO A 101 -13.648 -4.903 8.711 1.00 51.25 H new ATOM 0 HG3 PRO A 101 -15.078 -5.393 9.597 1.00 51.25 H new ATOM 0 HD2 PRO A 101 -13.826 -7.121 7.939 1.00 44.21 H new ATOM 0 HD3 PRO A 101 -15.571 -7.149 8.099 1.00 44.21 H new ATOM 1461 N ASP A 102 -13.071 -3.709 6.219 1.00 15.54 N ATOM 1462 CA ASP A 102 -11.996 -2.861 5.707 1.00 44.33 C ATOM 1463 C ASP A 102 -11.545 -3.306 4.311 1.00 31.32 C ATOM 1464 O ASP A 102 -10.686 -2.674 3.706 1.00 11.53 O ATOM 1465 CB ASP A 102 -10.801 -2.864 6.675 1.00 31.42 C ATOM 1466 CG ASP A 102 -11.150 -2.309 8.048 1.00 42.01 C ATOM 1467 OD1 ASP A 102 -10.701 -1.192 8.382 1.00 41.40 O ATOM 1468 OD2 ASP A 102 -11.881 -2.988 8.801 1.00 64.40 O ATOM 0 H ASP A 102 -12.810 -4.267 7.032 1.00 15.54 H new ATOM 0 HA ASP A 102 -12.387 -1.847 5.627 1.00 44.33 H new ATOM 0 HB2 ASP A 102 -10.431 -3.883 6.784 1.00 31.42 H new ATOM 0 HB3 ASP A 102 -9.991 -2.275 6.246 1.00 31.42 H new ATOM 1473 N LYS A 103 -12.106 -4.414 3.816 1.00 21.31 N ATOM 1474 CA LYS A 103 -11.830 -4.888 2.457 1.00 72.03 C ATOM 1475 C LYS A 103 -12.758 -4.231 1.426 1.00 42.31 C ATOM 1476 O LYS A 103 -12.681 -4.540 0.237 1.00 52.44 O ATOM 1477 CB LYS A 103 -11.943 -6.422 2.392 1.00 75.52 C ATOM 1478 CG LYS A 103 -10.652 -7.149 2.768 1.00 72.20 C ATOM 1479 CD LYS A 103 -9.587 -6.982 1.681 1.00 70.23 C ATOM 1480 CE LYS A 103 -8.226 -7.549 2.085 1.00 43.03 C ATOM 1481 NZ LYS A 103 -8.259 -9.012 2.345 1.00 71.03 N ATOM 0 H LYS A 103 -12.756 -5.001 4.339 1.00 21.31 H new ATOM 0 HA LYS A 103 -10.809 -4.599 2.206 1.00 72.03 H new ATOM 0 HB2 LYS A 103 -12.741 -6.747 3.060 1.00 75.52 H new ATOM 0 HB3 LYS A 103 -12.233 -6.714 1.383 1.00 75.52 H new ATOM 0 HG2 LYS A 103 -10.275 -6.760 3.714 1.00 72.20 H new ATOM 0 HG3 LYS A 103 -10.859 -8.209 2.919 1.00 72.20 H new ATOM 0 HD2 LYS A 103 -9.925 -7.477 0.770 1.00 70.23 H new ATOM 0 HD3 LYS A 103 -9.478 -5.923 1.447 1.00 70.23 H new ATOM 0 HE2 LYS A 103 -7.504 -7.342 1.295 1.00 43.03 H new ATOM 0 HE3 LYS A 103 -7.876 -7.035 2.980 1.00 43.03 H new ATOM 0 HZ1 LYS A 103 -7.936 -9.199 3.316 1.00 71.03 H new ATOM 0 HZ2 LYS A 103 -9.231 -9.363 2.230 1.00 71.03 H new ATOM 0 HZ3 LYS A 103 -7.633 -9.498 1.672 1.00 71.03 H new ATOM 1495 N ILE A 104 -13.616 -3.311 1.874 1.00 31.35 N ATOM 1496 CA ILE A 104 -14.492 -2.566 0.960 1.00 34.43 C ATOM 1497 C ILE A 104 -14.192 -1.064 1.029 1.00 43.30 C ATOM 1498 O ILE A 104 -14.412 -0.426 2.063 1.00 63.24 O ATOM 1499 CB ILE A 104 -15.990 -2.820 1.278 1.00 24.54 C ATOM 1500 CG1 ILE A 104 -16.314 -4.321 1.148 1.00 42.40 C ATOM 1501 CG2 ILE A 104 -16.889 -1.987 0.357 1.00 73.02 C ATOM 1502 CD1 ILE A 104 -17.759 -4.666 1.442 1.00 40.11 C ATOM 0 H ILE A 104 -13.724 -3.064 2.858 1.00 31.35 H new ATOM 0 HA ILE A 104 -14.292 -2.924 -0.050 1.00 34.43 H new ATOM 0 HB ILE A 104 -16.184 -2.512 2.305 1.00 24.54 H new ATOM 0 HG12 ILE A 104 -16.071 -4.649 0.137 1.00 42.40 H new ATOM 0 HG13 ILE A 104 -15.672 -4.881 1.828 1.00 42.40 H new ATOM 0 HG21 ILE A 104 -17.935 -2.180 0.597 1.00 73.02 H new ATOM 0 HG22 ILE A 104 -16.674 -0.928 0.499 1.00 73.02 H new ATOM 0 HG23 ILE A 104 -16.699 -2.260 -0.681 1.00 73.02 H new ATOM 0 HD11 ILE A 104 -17.907 -5.740 1.329 1.00 40.11 H new ATOM 0 HD12 ILE A 104 -18.003 -4.371 2.463 1.00 40.11 H new ATOM 0 HD13 ILE A 104 -18.409 -4.135 0.746 1.00 40.11 H new ATOM 1514 N THR A 105 -13.632 -0.514 -0.055 1.00 21.43 N ATOM 1515 CA THR A 105 -13.337 0.911 -0.151 1.00 53.50 C ATOM 1516 C THR A 105 -14.583 1.772 0.087 1.00 64.22 C ATOM 1517 O THR A 105 -15.714 1.333 -0.142 1.00 43.24 O ATOM 1518 CB THR A 105 -12.728 1.238 -1.535 1.00 0.05 C ATOM 1519 OG1 THR A 105 -12.213 0.036 -2.134 1.00 14.31 O ATOM 1520 CG2 THR A 105 -11.602 2.249 -1.408 1.00 34.44 C ATOM 0 H THR A 105 -13.373 -1.047 -0.885 1.00 21.43 H new ATOM 0 HA THR A 105 -12.616 1.148 0.631 1.00 53.50 H new ATOM 0 HB THR A 105 -13.514 1.662 -2.160 1.00 0.05 H new ATOM 0 HG1 THR A 105 -11.953 0.218 -3.061 1.00 14.31 H new ATOM 0 HG21 THR A 105 -11.191 2.462 -2.395 1.00 34.44 H new ATOM 0 HG22 THR A 105 -11.987 3.169 -0.969 1.00 34.44 H new ATOM 0 HG23 THR A 105 -10.818 1.843 -0.769 1.00 34.44 H new ATOM 1528 N GLU A 106 -14.352 3.005 0.540 1.00 51.14 N ATOM 1529 CA GLU A 106 -15.426 3.932 0.895 1.00 45.40 C ATOM 1530 C GLU A 106 -16.435 4.097 -0.245 1.00 0.30 C ATOM 1531 O GLU A 106 -17.645 4.135 -0.011 1.00 43.34 O ATOM 1532 CB GLU A 106 -14.834 5.302 1.259 1.00 13.53 C ATOM 1533 CG GLU A 106 -15.822 6.246 1.938 1.00 34.21 C ATOM 1534 CD GLU A 106 -16.165 5.808 3.355 1.00 70.25 C ATOM 1535 OE1 GLU A 106 -15.588 6.368 4.309 1.00 63.04 O ATOM 1536 OE2 GLU A 106 -16.997 4.889 3.520 1.00 3.43 O ATOM 0 H GLU A 106 -13.416 3.388 0.671 1.00 51.14 H new ATOM 0 HA GLU A 106 -15.953 3.514 1.753 1.00 45.40 H new ATOM 0 HB2 GLU A 106 -13.979 5.153 1.918 1.00 13.53 H new ATOM 0 HB3 GLU A 106 -14.459 5.776 0.352 1.00 13.53 H new ATOM 0 HG2 GLU A 106 -15.401 7.251 1.963 1.00 34.21 H new ATOM 0 HG3 GLU A 106 -16.736 6.298 1.346 1.00 34.21 H new ATOM 1543 N ASP A 107 -15.928 4.189 -1.475 1.00 31.14 N ATOM 1544 CA ASP A 107 -16.774 4.418 -2.650 1.00 11.14 C ATOM 1545 C ASP A 107 -17.786 3.288 -2.828 1.00 12.11 C ATOM 1546 O ASP A 107 -18.988 3.533 -2.921 1.00 25.32 O ATOM 1547 CB ASP A 107 -15.915 4.553 -3.914 1.00 30.22 C ATOM 1548 CG ASP A 107 -16.743 4.835 -5.160 1.00 31.41 C ATOM 1549 OD1 ASP A 107 -17.025 3.886 -5.929 1.00 4.13 O ATOM 1550 OD2 ASP A 107 -17.102 6.011 -5.383 1.00 41.33 O ATOM 0 H ASP A 107 -14.933 4.108 -1.685 1.00 31.14 H new ATOM 0 HA ASP A 107 -17.320 5.348 -2.490 1.00 11.14 H new ATOM 0 HB2 ASP A 107 -15.193 5.357 -3.773 1.00 30.22 H new ATOM 0 HB3 ASP A 107 -15.346 3.635 -4.061 1.00 30.22 H new ATOM 1555 N GLY A 108 -17.285 2.051 -2.855 1.00 13.10 N ATOM 1556 CA GLY A 108 -18.148 0.884 -2.993 1.00 2.31 C ATOM 1557 C GLY A 108 -19.235 0.841 -1.935 1.00 31.31 C ATOM 1558 O GLY A 108 -20.342 0.368 -2.187 1.00 44.54 O ATOM 0 H GLY A 108 -16.291 1.836 -2.783 1.00 13.10 H new ATOM 0 HA2 GLY A 108 -18.607 0.890 -3.982 1.00 2.31 H new ATOM 0 HA3 GLY A 108 -17.544 -0.021 -2.927 1.00 2.31 H new ATOM 1562 N ARG A 109 -18.907 1.328 -0.745 1.00 22.23 N ATOM 1563 CA ARG A 109 -19.874 1.433 0.345 1.00 22.33 C ATOM 1564 C ARG A 109 -20.854 2.575 0.086 1.00 40.23 C ATOM 1565 O ARG A 109 -22.048 2.455 0.363 1.00 62.34 O ATOM 1566 CB ARG A 109 -19.143 1.670 1.677 1.00 50.12 C ATOM 1567 CG ARG A 109 -20.055 2.072 2.839 1.00 20.44 C ATOM 1568 CD ARG A 109 -21.143 1.041 3.129 1.00 52.43 C ATOM 1569 NE ARG A 109 -20.624 -0.171 3.776 1.00 65.15 N ATOM 1570 CZ ARG A 109 -21.275 -0.826 4.743 1.00 34.44 C ATOM 1571 NH1 ARG A 109 -22.404 -0.328 5.240 1.00 13.24 N ATOM 1572 NH2 ARG A 109 -20.787 -1.958 5.237 1.00 21.52 N ATOM 0 H ARG A 109 -17.972 1.659 -0.507 1.00 22.23 H new ATOM 0 HA ARG A 109 -20.432 0.498 0.401 1.00 22.33 H new ATOM 0 HB2 ARG A 109 -18.608 0.761 1.950 1.00 50.12 H new ATOM 0 HB3 ARG A 109 -18.395 2.449 1.533 1.00 50.12 H new ATOM 0 HG2 ARG A 109 -19.451 2.216 3.735 1.00 20.44 H new ATOM 0 HG3 ARG A 109 -20.522 3.030 2.612 1.00 20.44 H new ATOM 0 HD2 ARG A 109 -21.902 1.491 3.768 1.00 52.43 H new ATOM 0 HD3 ARG A 109 -21.634 0.766 2.196 1.00 52.43 H new ATOM 0 HE ARG A 109 -19.720 -0.532 3.472 1.00 65.15 H new ATOM 0 HH11 ARG A 109 -22.773 0.553 4.883 1.00 13.24 H new ATOM 0 HH12 ARG A 109 -22.901 -0.828 5.978 1.00 13.24 H new ATOM 0 HH21 ARG A 109 -19.909 -2.334 4.879 1.00 21.52 H new ATOM 0 HH22 ARG A 109 -21.290 -2.451 5.975 1.00 21.52 H new ATOM 1586 N GLU A 110 -20.337 3.676 -0.448 1.00 33.02 N ATOM 1587 CA GLU A 110 -21.113 4.901 -0.589 1.00 0.40 C ATOM 1588 C GLU A 110 -22.153 4.774 -1.700 1.00 23.11 C ATOM 1589 O GLU A 110 -23.348 4.979 -1.473 1.00 33.04 O ATOM 1590 CB GLU A 110 -20.183 6.091 -0.858 1.00 22.31 C ATOM 1591 CG GLU A 110 -20.905 7.431 -0.954 1.00 2.03 C ATOM 1592 CD GLU A 110 -19.947 8.606 -1.005 1.00 52.52 C ATOM 1593 OE1 GLU A 110 -19.663 9.192 0.064 1.00 64.51 O ATOM 1594 OE2 GLU A 110 -19.462 8.945 -2.106 1.00 55.23 O ATOM 0 H GLU A 110 -19.379 3.744 -0.792 1.00 33.02 H new ATOM 0 HA GLU A 110 -21.645 5.073 0.347 1.00 0.40 H new ATOM 0 HB2 GLU A 110 -19.440 6.146 -0.062 1.00 22.31 H new ATOM 0 HB3 GLU A 110 -19.642 5.914 -1.787 1.00 22.31 H new ATOM 0 HG2 GLU A 110 -21.532 7.439 -1.846 1.00 2.03 H new ATOM 0 HG3 GLU A 110 -21.569 7.545 -0.097 1.00 2.03 H new ATOM 1601 N GLN A 111 -21.698 4.434 -2.900 1.00 71.32 N ATOM 1602 CA GLN A 111 -22.587 4.329 -4.050 1.00 32.23 C ATOM 1603 C GLN A 111 -22.635 2.892 -4.559 1.00 42.41 C ATOM 1604 O GLN A 111 -21.799 2.473 -5.364 1.00 65.31 O ATOM 1605 CB GLN A 111 -22.142 5.285 -5.168 1.00 13.33 C ATOM 1606 CG GLN A 111 -22.065 6.743 -4.726 1.00 43.55 C ATOM 1607 CD GLN A 111 -21.799 7.698 -5.877 1.00 12.32 C ATOM 1608 OE1 GLN A 111 -20.652 7.984 -6.214 1.00 73.34 O ATOM 1609 NE2 GLN A 111 -22.860 8.203 -6.489 1.00 42.43 N ATOM 0 H GLN A 111 -20.720 4.227 -3.102 1.00 71.32 H new ATOM 0 HA GLN A 111 -23.590 4.616 -3.735 1.00 32.23 H new ATOM 0 HB2 GLN A 111 -21.164 4.973 -5.535 1.00 13.33 H new ATOM 0 HB3 GLN A 111 -22.837 5.203 -6.004 1.00 13.33 H new ATOM 0 HG2 GLN A 111 -23.001 7.020 -4.240 1.00 43.55 H new ATOM 0 HG3 GLN A 111 -21.276 6.850 -3.982 1.00 43.55 H new ATOM 0 HE21 GLN A 111 -23.797 7.943 -6.182 1.00 42.43 H new ATOM 0 HE22 GLN A 111 -22.739 8.852 -7.267 1.00 42.43 H new ATOM 1618 N LEU A 112 -23.606 2.135 -4.054 1.00 24.44 N ATOM 1619 CA LEU A 112 -23.821 0.757 -4.481 1.00 12.35 C ATOM 1620 C LEU A 112 -24.275 0.718 -5.941 1.00 25.14 C ATOM 1621 O LEU A 112 -24.902 1.665 -6.427 1.00 51.14 O ATOM 1622 CB LEU A 112 -24.881 0.084 -3.594 1.00 32.24 C ATOM 1623 CG LEU A 112 -24.541 0.012 -2.095 1.00 31.51 C ATOM 1624 CD1 LEU A 112 -25.700 -0.597 -1.308 1.00 64.45 C ATOM 1625 CD2 LEU A 112 -23.261 -0.788 -1.872 1.00 64.12 C ATOM 0 H LEU A 112 -24.261 2.458 -3.342 1.00 24.44 H new ATOM 0 HA LEU A 112 -22.879 0.217 -4.386 1.00 12.35 H new ATOM 0 HB2 LEU A 112 -25.822 0.622 -3.710 1.00 32.24 H new ATOM 0 HB3 LEU A 112 -25.046 -0.929 -3.960 1.00 32.24 H new ATOM 0 HG LEU A 112 -24.378 1.027 -1.733 1.00 31.51 H new ATOM 0 HD11 LEU A 112 -25.439 -0.639 -0.250 1.00 64.45 H new ATOM 0 HD12 LEU A 112 -26.591 0.018 -1.438 1.00 64.45 H new ATOM 0 HD13 LEU A 112 -25.898 -1.605 -1.673 1.00 64.45 H new ATOM 0 HD21 LEU A 112 -23.038 -0.827 -0.806 1.00 64.12 H new ATOM 0 HD22 LEU A 112 -23.394 -1.801 -2.253 1.00 64.12 H new ATOM 0 HD23 LEU A 112 -22.436 -0.308 -2.398 1.00 64.12 H new ATOM 1637 N ARG A 113 -23.984 -0.388 -6.624 1.00 31.34 N ATOM 1638 CA ARG A 113 -24.354 -0.556 -8.031 1.00 61.41 C ATOM 1639 C ARG A 113 -25.867 -0.425 -8.204 1.00 74.23 C ATOM 1640 O ARG A 113 -26.347 0.016 -9.249 1.00 22.44 O ATOM 1641 CB ARG A 113 -23.849 -1.907 -8.566 1.00 24.50 C ATOM 1642 CG ARG A 113 -24.241 -2.201 -10.016 1.00 63.13 C ATOM 1643 CD ARG A 113 -23.893 -1.052 -10.963 1.00 42.44 C ATOM 1644 NE ARG A 113 -22.482 -0.659 -10.886 1.00 24.13 N ATOM 1645 CZ ARG A 113 -21.698 -0.455 -11.948 1.00 62.50 C ATOM 1646 NH1 ARG A 113 -22.165 -0.637 -13.179 1.00 35.33 N ATOM 1647 NH2 ARG A 113 -20.448 -0.054 -11.780 1.00 42.14 N ATOM 0 H ARG A 113 -23.490 -1.186 -6.224 1.00 31.34 H new ATOM 0 HA ARG A 113 -23.878 0.233 -8.613 1.00 61.41 H new ATOM 0 HB2 ARG A 113 -22.762 -1.933 -8.484 1.00 24.50 H new ATOM 0 HB3 ARG A 113 -24.236 -2.703 -7.930 1.00 24.50 H new ATOM 0 HG2 ARG A 113 -23.735 -3.107 -10.349 1.00 63.13 H new ATOM 0 HG3 ARG A 113 -25.312 -2.397 -10.066 1.00 63.13 H new ATOM 0 HD2 ARG A 113 -24.128 -1.346 -11.986 1.00 42.44 H new ATOM 0 HD3 ARG A 113 -24.519 -0.191 -10.727 1.00 42.44 H new ATOM 0 HE ARG A 113 -22.072 -0.533 -9.960 1.00 24.13 H new ATOM 0 HH11 ARG A 113 -23.130 -0.935 -13.319 1.00 35.33 H new ATOM 0 HH12 ARG A 113 -21.558 -0.478 -13.983 1.00 35.33 H new ATOM 0 HH21 ARG A 113 -20.084 0.099 -10.840 1.00 42.14 H new ATOM 0 HH22 ARG A 113 -19.849 0.102 -12.591 1.00 42.14 H new ATOM 1661 N ALA A 114 -26.609 -0.804 -7.166 1.00 52.42 N ATOM 1662 CA ALA A 114 -28.061 -0.635 -7.151 1.00 51.11 C ATOM 1663 C ALA A 114 -28.431 0.822 -7.431 1.00 73.23 C ATOM 1664 O ALA A 114 -29.339 1.102 -8.211 1.00 61.11 O ATOM 1665 CB ALA A 114 -28.635 -1.091 -5.811 1.00 44.34 C ATOM 0 H ALA A 114 -26.228 -1.231 -6.322 1.00 52.42 H new ATOM 0 HA ALA A 114 -28.493 -1.254 -7.937 1.00 51.11 H new ATOM 0 HB1 ALA A 114 -29.717 -0.959 -5.815 1.00 44.34 H new ATOM 0 HB2 ALA A 114 -28.398 -2.143 -5.653 1.00 44.34 H new ATOM 0 HB3 ALA A 114 -28.200 -0.497 -5.008 1.00 44.34 H new ATOM 1671 N LEU A 115 -27.685 1.740 -6.818 1.00 23.33 N ATOM 1672 CA LEU A 115 -27.920 3.178 -6.976 1.00 60.32 C ATOM 1673 C LEU A 115 -27.242 3.702 -8.248 1.00 74.33 C ATOM 1674 O LEU A 115 -27.511 4.818 -8.699 1.00 74.44 O ATOM 1675 CB LEU A 115 -27.398 3.934 -5.737 1.00 24.01 C ATOM 1676 CG LEU A 115 -27.602 5.463 -5.745 1.00 33.41 C ATOM 1677 CD1 LEU A 115 -29.087 5.816 -5.811 1.00 52.34 C ATOM 1678 CD2 LEU A 115 -26.945 6.102 -4.521 1.00 54.04 C ATOM 0 H LEU A 115 -26.905 1.512 -6.201 1.00 23.33 H new ATOM 0 HA LEU A 115 -28.993 3.348 -7.069 1.00 60.32 H new ATOM 0 HB2 LEU A 115 -27.889 3.526 -4.853 1.00 24.01 H new ATOM 0 HB3 LEU A 115 -26.332 3.730 -5.633 1.00 24.01 H new ATOM 0 HG LEU A 115 -27.122 5.864 -6.638 1.00 33.41 H new ATOM 0 HD11 LEU A 115 -29.204 6.900 -5.815 1.00 52.34 H new ATOM 0 HD12 LEU A 115 -29.520 5.401 -6.721 1.00 52.34 H new ATOM 0 HD13 LEU A 115 -29.599 5.400 -4.943 1.00 52.34 H new ATOM 0 HD21 LEU A 115 -27.101 7.181 -4.546 1.00 54.04 H new ATOM 0 HD22 LEU A 115 -27.389 5.692 -3.614 1.00 54.04 H new ATOM 0 HD23 LEU A 115 -25.876 5.889 -4.529 1.00 54.04 H new ATOM 1690 N GLY A 116 -26.369 2.882 -8.827 1.00 73.22 N ATOM 1691 CA GLY A 116 -25.651 3.263 -10.033 1.00 34.52 C ATOM 1692 C GLY A 116 -26.518 3.191 -11.276 1.00 30.13 C ATOM 1693 O GLY A 116 -26.299 2.343 -12.145 1.00 0.22 O ATOM 0 H GLY A 116 -26.144 1.950 -8.478 1.00 73.22 H new ATOM 0 HA2 GLY A 116 -25.270 4.278 -9.919 1.00 34.52 H new ATOM 0 HA3 GLY A 116 -24.787 2.610 -10.159 1.00 34.52 H new ATOM 1697 N PHE A 117 -27.520 4.064 -11.350 1.00 62.23 N ATOM 1698 CA PHE A 117 -28.383 4.153 -12.526 1.00 70.11 C ATOM 1699 C PHE A 117 -27.751 5.071 -13.574 1.00 10.15 C ATOM 1700 O PHE A 117 -27.578 4.694 -14.734 1.00 63.44 O ATOM 1701 CB PHE A 117 -29.768 4.700 -12.148 1.00 74.14 C ATOM 1702 CG PHE A 117 -30.507 3.885 -11.118 1.00 52.01 C ATOM 1703 CD1 PHE A 117 -30.576 4.309 -9.798 1.00 3.33 C ATOM 1704 CD2 PHE A 117 -31.142 2.702 -11.469 1.00 62.22 C ATOM 1705 CE1 PHE A 117 -31.259 3.570 -8.852 1.00 41.10 C ATOM 1706 CE2 PHE A 117 -31.826 1.959 -10.524 1.00 50.54 C ATOM 1707 CZ PHE A 117 -31.885 2.395 -9.215 1.00 30.31 C ATOM 0 H PHE A 117 -27.755 4.722 -10.607 1.00 62.23 H new ATOM 0 HA PHE A 117 -28.498 3.150 -12.936 1.00 70.11 H new ATOM 0 HB2 PHE A 117 -29.652 5.717 -11.772 1.00 74.14 H new ATOM 0 HB3 PHE A 117 -30.378 4.761 -13.049 1.00 74.14 H new ATOM 0 HD1 PHE A 117 -30.089 5.228 -9.507 1.00 3.33 H new ATOM 0 HD2 PHE A 117 -31.102 2.358 -12.492 1.00 62.22 H new ATOM 0 HE1 PHE A 117 -31.303 3.912 -7.828 1.00 41.10 H new ATOM 0 HE2 PHE A 117 -32.314 1.039 -10.810 1.00 50.54 H new ATOM 0 HZ PHE A 117 -32.420 1.817 -8.476 1.00 30.31 H new ATOM 1717 N THR A 118 -27.405 6.281 -13.144 1.00 72.01 N ATOM 1718 CA THR A 118 -26.873 7.304 -14.033 1.00 33.22 C ATOM 1719 C THR A 118 -25.372 7.471 -13.832 1.00 2.53 C ATOM 1720 O THR A 118 -24.872 7.323 -12.712 1.00 55.14 O ATOM 1721 CB THR A 118 -27.562 8.663 -13.774 1.00 12.41 C ATOM 1722 OG1 THR A 118 -27.331 9.070 -12.414 1.00 42.15 O ATOM 1723 CG2 THR A 118 -29.065 8.579 -14.031 1.00 11.14 C ATOM 0 H THR A 118 -27.486 6.578 -12.171 1.00 72.01 H new ATOM 0 HA THR A 118 -27.069 6.982 -15.056 1.00 33.22 H new ATOM 0 HB THR A 118 -27.137 9.396 -14.460 1.00 12.41 H new ATOM 0 HG1 THR A 118 -27.767 9.933 -12.252 1.00 42.15 H new ATOM 0 HG21 THR A 118 -29.522 9.550 -13.840 1.00 11.14 H new ATOM 0 HG22 THR A 118 -29.241 8.292 -15.068 1.00 11.14 H new ATOM 0 HG23 THR A 118 -29.506 7.834 -13.369 1.00 11.14 H new ATOM 1731 N VAL A 119 -24.664 7.777 -14.912 1.00 35.12 N ATOM 1732 CA VAL A 119 -23.247 8.097 -14.840 1.00 54.23 C ATOM 1733 C VAL A 119 -23.071 9.613 -14.969 1.00 5.31 C ATOM 1734 O VAL A 119 -23.014 10.298 -13.928 1.00 44.42 O ATOM 1735 CB VAL A 119 -22.435 7.366 -15.944 1.00 75.25 C ATOM 1736 CG1 VAL A 119 -20.937 7.655 -15.809 1.00 74.44 C ATOM 1737 CG2 VAL A 119 -22.707 5.861 -15.906 1.00 15.54 C ATOM 1738 OXT VAL A 119 -23.035 10.121 -16.112 1.00 0.00 O ATOM 0 H VAL A 119 -25.053 7.810 -15.854 1.00 35.12 H new ATOM 0 HA VAL A 119 -22.864 7.756 -13.878 1.00 54.23 H new ATOM 0 HB VAL A 119 -22.761 7.747 -16.912 1.00 75.25 H new ATOM 0 HG11 VAL A 119 -20.393 7.131 -16.595 1.00 74.44 H new ATOM 0 HG12 VAL A 119 -20.764 8.727 -15.901 1.00 74.44 H new ATOM 0 HG13 VAL A 119 -20.587 7.313 -14.835 1.00 74.44 H new ATOM 0 HG21 VAL A 119 -22.129 5.367 -16.687 1.00 15.54 H new ATOM 0 HG22 VAL A 119 -22.417 5.463 -14.933 1.00 15.54 H new ATOM 0 HG23 VAL A 119 -23.769 5.679 -16.071 1.00 15.54 H new TER 1748 VAL A 119